A0A087Y3S7_POEFO Loading...

Glycerol-3-phosphate acyltransferase 4

AlphaFold DB (A0A3B3TZQ3), UniProt , Accession A0A087Y3S7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	58.2	Low	231 Å²	231	138.6 Å²	138.6	100%	1.138	68%	0.684	S	S	*	*				0	79.9	0	-170.5	177	-73.2	0	0	106.4	L3	M1-L3 PolarHBondContact O-N 3.2Å
2	E	44.5	Very low	60.1	Low	175 Å²	175	135.2 Å²	135.2	82%	0.818	67%	0.669	S	S	*	*			trans	-77.9	115.5	176.3	-74.8	179.3	151.2	0	0	107.6	F4	E2-F4 PolarHBondContact O-N 3.25Å
3	L	48.4	Very low	61.6	Low	135 Å²	135	131 Å²	131	71%	0.707	66%	0.66	S	S	*	*			trans	-66.3	104.9	167.8	-98.4	90.4	0	0	0	107.5	M1 F5	M1-L3 PolarHBondContact O-N 3.2Å; L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 HydrophobicContact CB-CD2 4.32Å; L3-F5 HydrophobicContact CB-CE2 4.26Å; L3-F5 HydrophobicContact CD2-CE2 4.24Å; L3-F5 PolarHBondContact O-N 2.9Å
4	F	51.5	Low	63	Low	200 Å²	200	127.6 Å²	127.6	88%	0.877	64%	0.644	S	S	*	*			trans	-59.8	96.4	163.5	-90.2	-93.9	0	0	0	108.8	E2 N6	E2-F4 PolarHBondContact O-N 3.25Å; F4-N6 PolarHBondContact O-N 3.42Å
5	F	55.9	Low	64.3	Low	166 Å²	166	125.7 Å²	125.7	73%	0.728	64%	0.635	S	S	*	*			trans	-74.4	117.6	163.8	-88.1	-85.6	0	0	0	108.2	L3	L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 HydrophobicContact CB-CD2 4.32Å; L3-F5 HydrophobicContact CB-CE2 4.26Å; L3-F5 HydrophobicContact CD2-CE2 4.24Å; L3-F5 PolarHBondContact O-N 2.9Å
6	N	59.6	Low	65.4	Low	80 Å²	80	124.5 Å²	124.5	43%	0.428	63%	0.63	S	S	.	*			trans	-67	128.1	-179.3	-164.2	-16.2	0	0	0	109.2	F4 F8 D9 N10	F4-N6 PolarHBondContact O-N 3.42Å; N6-F8 PolarHBondContact O-N 3.44Å; N6-F8 VanDerWaalsContact O-N 3.1Å; N6-D9 HydrophobicContact CB-CB 4.45Å; N6-D9 VanDerWaalsContact CB-OD2 3.32Å; N6-D9 WeakPolarHBondContact CB-OD2 3.47Å; N6-D9 WeakPolarHBondContact O-CB 3.39Å; N6-D9 PolarHBondContact O-N 3.21Å; N6-N10 PolarHBondContact O-N 2.93Å
7	P	60.5	Low	66.4	Low	99 Å²	99	119.1 Å²	119.1	64%	0.643	61%	0.613	S	S	*	*	H	α-helix	trans	-58.4	-24	178.5	18.2	-30.2	0	0	0	113.6	N10 L11	P7-N10 PolarHBondContact O-N 3.49Å; P7-L11 PolarHBondContact O-N 3.43Å; P7-L11 VanDerWaalsContact O-N 3.08Å
8	F	58.9	Low	67.3	Low	156 Å²	156	117.9 Å²	117.9	68%	0.684	61%	0.607	S	S	*	*	H	α-helix	trans	-65.9	-35	170.5	-80.8	-85.3	0	0	0	113.3	N6 N10 L11 L12	N6-F8 PolarHBondContact O-N 3.44Å; N6-F8 VanDerWaalsContact O-N 3.1Å; F8-N10 VanDerWaalsContact C-N 3.31Å; F8-L11 PolarHBondContact O-N 3.48Å; F8-L12 VanDerWaalsContact O-CB 3.31Å; F8-L12 WeakPolarHBondContact O-CB 3.32Å; F8-L12 PolarHBondContact O-N 3.43Å
9	D	65.1	Low	67.9	Low	82 Å²	82	115.8 Å²	115.8	44%	0.439	60%	0.604	S	S	.	*	H	α-helix	trans	-68	-36.2	175.8	-63.8	-28.3	0	0	0	110.4	N6 C13	N6-D9 HydrophobicContact CB-CB 4.45Å; N6-D9 VanDerWaalsContact CB-OD2 3.32Å; N6-D9 WeakPolarHBondContact CB-OD2 3.47Å; N6-D9 WeakPolarHBondContact O-CB 3.39Å; N6-D9 PolarHBondContact O-N 3.21Å; D9-C13 VanDerWaalsContact O-CB 3.23Å; D9-C13 WeakPolarHBondContact O-CB 3.37Å; D9-C13 PolarHBondContact O-N 3.07Å; D9-C13 PolarHBondContact O-SG 3.03Å
10	N	75.4	Confident	68.5	Low	104 Å²	104	117.1 Å²	117.1	56%	0.556	60%	0.604	S	S	*	*	H	α-helix	trans	-67.8	-45.1	176.4	-161.6	8.7	0	0	0	111.8	N6 P7 F8 C13 I14	N6-N10 PolarHBondContact O-N 2.93Å; P7-N10 PolarHBondContact O-N 3.49Å; F8-N10 VanDerWaalsContact C-N 3.31Å; N10-C13 PolarHBondContact O-N 3.19Å; N10-I14 WeakPolarHBondContact O-CB 3.49Å; N10-I14 WeakPolarHBondContact O-CD1 3.33Å; N10-I14 WeakPolarHBondContact O-CG1 3.11Å; N10-I14 PolarHBondContact O-N 3.09Å
11	L	79.5	Confident	69.1	Low	97 Å²	97	115.5 Å²	115.5	51%	0.508	60%	0.6	S	S	.	*	H	α-helix	trans	-64.6	-42.5	176	-177.7	63	0	0	0	112	P7 F8 I14 L15	P7-L11 PolarHBondContact O-N 3.43Å; P7-L11 VanDerWaalsContact O-N 3.08Å; F8-L11 PolarHBondContact O-N 3.48Å; L11-I14 PolarHBondContact O-N 3.46Å; L11-L15 HydrophobicContact CD1-CD1 4.32Å; L11-L15 HydrophobicContact CD1-CG 4.33Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 HydrophobicContact CG-CG 4.48Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.47Å
12	L	80.8	Confident	71.1	Confident	97 Å²	97	108.1 Å²	108.1	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-62.8	-43.5	175.9	-178.4	63.6	0	0	0	111.2	F8 I14 L15 L16	F8-L12 VanDerWaalsContact O-CB 3.31Å; F8-L12 WeakPolarHBondContact O-CB 3.32Å; F8-L12 PolarHBondContact O-N 3.43Å; L12-I14 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.27Å; L12-L16 HydrophobicContact CD1-CD1 4.22Å; L12-L16 HydrophobicContact CD1-CG 4.25Å; L12-L16 HydrophobicContact CG-CD1 3.94Å; L12-L16 HydrophobicContact CG-CG 4.39Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.22Å; L12-L16 PolarHBondContact O-N 3.16Å
13	C	79.5	Confident	72.7	Confident	81 Å²	81	104.6 Å²	104.6	55%	0.547	55%	0.547	S	S	.	.	H	α-helix	trans	-63.1	-40.9	176.2	-73.6	0	0	0	0	112.2	D9 N10 G17	D9-C13 VanDerWaalsContact O-CB 3.23Å; D9-C13 WeakPolarHBondContact O-CB 3.37Å; D9-C13 PolarHBondContact O-N 3.07Å; D9-C13 PolarHBondContact O-SG 3.03Å; N10-C13 PolarHBondContact O-N 3.19Å; C13-G17 PolarHBondContact O-N 3.35Å
14	I	80.5	Confident	74.2	Confident	84 Å²	84	102.5 Å²	102.5	43%	0.431	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-47.2	175.3	-69.7	164.2	0	0	0	110.5	N10 L11 L12 L16 G17 I18	N10-I14 WeakPolarHBondContact O-CB 3.49Å; N10-I14 WeakPolarHBondContact O-CD1 3.33Å; N10-I14 WeakPolarHBondContact O-CG1 3.11Å; N10-I14 PolarHBondContact O-N 3.09Å; L11-I14 PolarHBondContact O-N 3.46Å; L12-I14 PolarHBondContact O-N 3.01Å; I14-L16 PolarHBondContact O-N 3.24Å; I14-G17 PolarHBondContact O-N 3.44Å; I14-I18 HydrophobicContact CG2-CD1 3.75Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 VanDerWaalsContact O-CG1 3.29Å; I14-I18 WeakPolarHBondContact O-CG1 3.11Å; I14-I18 PolarHBondContact O-N 2.99Å
15	L	83.8	Confident	75.6	Confident	99 Å²	99	96.4 Å²	96.4	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-64.3	-40.4	178.8	-71.5	172.9	0	0	0	112.2	L11 L12 S19	L11-L15 HydrophobicContact CD1-CD1 4.32Å; L11-L15 HydrophobicContact CD1-CG 4.33Å; L11-L15 HydrophobicContact CG-CD1 4.07Å; L11-L15 HydrophobicContact CG-CG 4.48Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.47Å; L12-L15 PolarHBondContact O-N 3.27Å; L15-S19 WeakPolarHBondContact O-CB 3.46Å; L15-S19 PolarHBondContact O-N 2.58Å
16	L	81.9	Confident	76.7	Confident	106 Å²	106	92.5 Å²	92.5	56%	0.555	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-41.1	173.3	-72.6	172.8	0	0	0	111.4	L12 I14 S19 F20	L12-L16 HydrophobicContact CD1-CD1 4.22Å; L12-L16 HydrophobicContact CD1-CG 4.25Å; L12-L16 HydrophobicContact CG-CD1 3.94Å; L12-L16 HydrophobicContact CG-CG 4.39Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.22Å; L12-L16 PolarHBondContact O-N 3.16Å; I14-L16 PolarHBondContact O-N 3.24Å; L16-S19 PolarHBondContact O-N 3.05Å; L16-F20 VanDerWaalsContact O-CB 3.23Å; L16-F20 WeakPolarHBondContact O-CB 3.32Å; L16-F20 PolarHBondContact O-N 3.39Å
17	G	80.9	Confident	77.6	Confident	33 Å²	33	89 Å²	89	34%	0.34	48%	0.48	S	S	.	.	H	α-helix	trans	-64.1	-44.2	176.4	0	0	0	0	0	112.8	C13 I14 F20 T21	C13-G17 PolarHBondContact O-N 3.35Å; I14-G17 PolarHBondContact O-N 3.44Å; G17-F20 PolarHBondContact O-N 3.24Å; G17-T21 WeakPolarHBondContact O-CB 3.5Å; G17-T21 PolarHBondContact O-N 3.43Å; G17-T21 PolarHBondContact O-OG1 3.18Å
18	I	83.4	Confident	78.5	Confident	97 Å²	97	87.7 Å²	87.7	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-48.5	174.7	-67.7	167.2	0	0	0	109.9	I14 F20 T21 V22	I14-I18 HydrophobicContact CG2-CD1 3.75Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 VanDerWaalsContact O-CG1 3.29Å; I14-I18 WeakPolarHBondContact O-CG1 3.11Å; I14-I18 PolarHBondContact O-N 2.99Å; I18-F20 VanDerWaalsContact C-N 3.33Å; I18-F20 PolarHBondContact O-N 2.73Å; I18-T21 PolarHBondContact O-N 3.3Å; I18-V22 HydrophobicContact CG2-CG2 4.2Å; I18-V22 WeakPolarHBondContact O-CB 3.32Å; I18-V22 VanDerWaalsContact O-CG2 3.3Å; I18-V22 WeakPolarHBondContact O-CG2 3.39Å; I18-V22 PolarHBondContact O-N 3.28Å
19	S	78.7	Confident	79.5	Confident	78 Å²	78	83.6 Å²	83.6	55%	0.545	45%	0.454	S	S	.	.	H	α-helix	trans	-57.7	-45.6	178.1	-177	0	0	0	0	111.7	L15 L16 V22 W23	L15-S19 WeakPolarHBondContact O-CB 3.46Å; L15-S19 PolarHBondContact O-N 2.58Å; L16-S19 PolarHBondContact O-N 3.05Å; S19-V22 PolarHBondContact O-N 2.9Å; S19-W23 WeakPolarHBondContact O-CB 3.45Å; S19-W23 PolarHBondContact O-N 2.98Å
20	F	80.1	Confident	80	Confident	141 Å²	141	85.1 Å²	85.1	62%	0.618	46%	0.457	S	S	*	.	H	α-helix	trans	-61.9	-44.1	175.8	-178	-97.2	0	0	0	112.2	L16 G17 I18 W23 F24	L16-F20 VanDerWaalsContact O-CB 3.23Å; L16-F20 WeakPolarHBondContact O-CB 3.32Å; L16-F20 PolarHBondContact O-N 3.39Å; G17-F20 PolarHBondContact O-N 3.24Å; I18-F20 VanDerWaalsContact C-N 3.33Å; I18-F20 PolarHBondContact O-N 2.73Å; F20-W23 PolarHBondContact O-N 3.31Å; F20-F24 WeakPolarHBondContact O-CB 3.44Å; F20-F24 PolarHBondContact O-N 3.05Å
21	T	81.7	Confident	79.9	Confident	84 Å²	84	81.9 Å²	81.9	52%	0.515	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-44.7	179.7	-56.4	0	0	0	0	111.4	G17 I18 F24 T25	G17-T21 WeakPolarHBondContact O-CB 3.5Å; G17-T21 PolarHBondContact O-N 3.43Å; G17-T21 PolarHBondContact O-OG1 3.18Å; I18-T21 PolarHBondContact O-N 3.3Å; T21-F24 PolarHBondContact O-N 3.28Å; T21-T25 WeakPolarHBondContact O-CB 3.28Å; T21-T25 PolarHBondContact O-N 3.4Å; T21-T25 PolarHBondContact O-OG1 2.74Å
22	V	83.1	Confident	79.7	Confident	77 Å²	77	78.1 Å²	78.1	47%	0.467	42%	0.42	S	S	.	.	H	α-helix	trans	-61.9	-47.8	175.6	171	0	0	0	0	110	I18 S19 F24 T25 L26	I18-V22 HydrophobicContact CG2-CG2 4.2Å; I18-V22 WeakPolarHBondContact O-CB 3.32Å; I18-V22 VanDerWaalsContact O-CG2 3.3Å; I18-V22 WeakPolarHBondContact O-CG2 3.39Å; I18-V22 PolarHBondContact O-N 3.28Å; S19-V22 PolarHBondContact O-N 2.9Å; V22-F24 PolarHBondContact O-N 2.75Å; V22-T25 PolarHBondContact O-N 3.45Å; V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.1Å; V22-L26 PolarHBondContact O-N 2.75Å
23	W	78.4	Confident	79.7	Confident	100 Å²	100	76 Å²	76	38%	0.379	41%	0.411	S	S	.	.	H	α-helix	trans	-57.1	-48.6	177.3	179.9	-101.6	0	0	0	112.3	S19 F20 T25 L26 L27 L179	S19-W23 WeakPolarHBondContact O-CB 3.45Å; S19-W23 PolarHBondContact O-N 2.98Å; F20-W23 PolarHBondContact O-N 3.31Å; W23-T25 PolarHBondContact O-N 3.31Å; W23-L26 PolarHBondContact O-N 3.45Å; W23-L27 WeakPolarHBondContact O-CB 3.42Å; W23-L27 WeakPolarHBondContact O-CG 3.38Å; W23-L27 PolarHBondContact O-N 3.35Å; W23-L179 HydrophobicContact CH2-CB 4.01Å; W23-L179 HydrophobicContact CH2-CD1 3.82Å; W23-L179 HydrophobicContact CH2-CG 4.46Å; W23-L179 HydrophobicContact CZ2-CB 3.91Å; W23-L179 HydrophobicContact CZ2-CD1 3.55Å; W23-L179 HydrophobicContact CZ2-CG 4.37Å
24	F	78.8	Confident	79.7	Confident	92 Å²	92	72.5 Å²	72.5	40%	0.404	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-38.6	178.6	-169.7	-96.2	0	0	0	112.3	F20 T21 V22 L27 L28	F20-F24 WeakPolarHBondContact O-CB 3.44Å; F20-F24 PolarHBondContact O-N 3.05Å; T21-F24 PolarHBondContact O-N 3.28Å; V22-F24 PolarHBondContact O-N 2.75Å; F24-L27 WeakPolarHBondContact O-CB 3.19Å; F24-L27 PolarHBondContact O-N 3.47Å; F24-L28 HydrophobicContact CE1-CD1 4.02Å; F24-L28 VanDerWaalsContact O-CB 3.31Å; F24-L28 WeakPolarHBondContact O-CB 3.21Å; F24-L28 PolarHBondContact O-N 3.26Å
25	T	81.4	Confident	79.3	Confident	72 Å²	72	68.5 Å²	68.5	44%	0.442	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-44.9	176.8	-56.1	0	0	0	0	111.1	T21 V22 W23 L27 L28 V29	T21-T25 WeakPolarHBondContact O-CB 3.28Å; T21-T25 PolarHBondContact O-N 3.4Å; T21-T25 PolarHBondContact O-OG1 2.74Å; V22-T25 PolarHBondContact O-N 3.45Å; W23-T25 PolarHBondContact O-N 3.31Å; T25-L27 PolarHBondContact O-N 2.8Å; T25-L28 PolarHBondContact O-N 3.41Å; T25-V29 HydrophobicContact CG2-CG2 4.31Å; T25-V29 WeakPolarHBondContact O-CB 3.43Å; T25-V29 WeakPolarHBondContact O-CG2 3.35Å; T25-V29 PolarHBondContact O-N 2.78Å
26	L	78.9	Confident	78.9	Confident	84 Å²	84	67.7 Å²	67.7	44%	0.44	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-43.1	175.5	-69.5	174.8	0	0	0	111.5	V22 W23 L28 F30	V22-L26 HydrophobicContact CG1-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CG 4.34Å; V22-L26 WeakPolarHBondContact O-CB 3.42Å; V22-L26 VanDerWaalsContact O-CG 3.28Å; V22-L26 WeakPolarHBondContact O-CG 3.1Å; V22-L26 PolarHBondContact O-N 2.75Å; W23-L26 PolarHBondContact O-N 3.45Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 2.82Å; L26-F30 HydrophobicContact CB-CD2 4.43Å; L26-F30 HydrophobicContact CD2-CD2 3.85Å; L26-F30 HydrophobicContact CD2-CE2 3.59Å; L26-F30 WeakPolarHBondContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CD2 3.46Å; L26-F30 PolarHBondContact O-N 2.84Å
27	L	77.3	Confident	78.6	Confident	7 Å²	7	69.7 Å²	69.7	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-57.2	-47.8	173.4	-84.1	-178.8	0	0	0	111.8	W23 F24 T25 I31 I32 L179 T182 L183	W23-L27 WeakPolarHBondContact O-CB 3.42Å; W23-L27 WeakPolarHBondContact O-CG 3.38Å; W23-L27 PolarHBondContact O-N 3.35Å; F24-L27 WeakPolarHBondContact O-CB 3.19Å; F24-L27 PolarHBondContact O-N 3.47Å; T25-L27 PolarHBondContact O-N 2.8Å; L27-I31 HydrophobicContact CD2-CD1 3.7Å; L27-I31 HydrophobicContact CD2-CG1 4.4Å; L27-I31 CarbonylContact O-C 3.4Å; L27-I31 WeakPolarHBondContact O-CA 3.44Å; L27-I31 VanDerWaalsContact O-CB 3.3Å; L27-I31 WeakPolarHBondContact O-CB 3.37Å; L27-I31 PolarHBondContact O-N 3.31Å; L27-I32 PolarHBondContact O-N 2.93Å; L27-L179 HydrophobicContact CD2-CD1 3.28Å; L27-L179 HydrophobicContact CG-CD1 4.27Å; L27-T182 HydrophobicContact CD1-CG2 3.76Å; L27-L183 HydrophobicContact CD2-CD2 3.82Å; L27-L183 HydrophobicContact CD2-CG 4.14Å
28	L	79.9	Confident	78.1	Confident	71 Å²	71	70.2 Å²	70.2	37%	0.372	37%	0.371	S	S	.	.	I	π-helix	trans	-64.1	-52.1	-177.9	-171.7	134.2	0	0	0	110.9	F24 T25 L26 I32 V33	F24-L28 HydrophobicContact CE1-CD1 4.02Å; F24-L28 VanDerWaalsContact O-CB 3.31Å; F24-L28 WeakPolarHBondContact O-CB 3.21Å; F24-L28 PolarHBondContact O-N 3.26Å; T25-L28 PolarHBondContact O-N 3.41Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 PolarHBondContact O-N 2.82Å; L28-I32 PolarHBondContact O-N 3.13Å; L28-V33 HydrophobicContact CD2-CG2 4.02Å; L28-V33 HydrophobicContact CG-CG2 4.47Å; L28-V33 WeakPolarHBondContact O-CB 3.35Å; L28-V33 VanDerWaalsContact O-CG2 3.31Å; L28-V33 WeakPolarHBondContact O-CG2 3.47Å; L28-V33 PolarHBondContact O-N 3.19Å
29	V	80.3	Confident	77.5	Confident	69 Å²	69	69.3 Å²	69.3	42%	0.418	37%	0.37	S	S	.	.	I	π-helix	trans	-70.1	-44.6	-175	174	0	0	0	0	112.5	T25 P34	T25-V29 HydrophobicContact CG2-CG2 4.31Å; T25-V29 WeakPolarHBondContact O-CB 3.43Å; T25-V29 WeakPolarHBondContact O-CG2 3.35Å; T25-V29 PolarHBondContact O-N 2.78Å; V29-P34 VanDerWaalsContact O-CD 3.28Å; V29-P34 WeakPolarHBondContact O-CD 3.46Å
30	F	75.2	Confident	77.1	Confident	114 Å²	114	68.8 Å²	68.8	50%	0.5	37%	0.367	S	S	.	.	I	π-helix	trans	-95.7	-18.1	-171.8	-67.1	-74.6	0	0	0	114.1	L26 F41	L26-F30 HydrophobicContact CB-CD2 4.43Å; L26-F30 HydrophobicContact CD2-CD2 3.85Å; L26-F30 HydrophobicContact CD2-CE2 3.59Å; L26-F30 WeakPolarHBondContact O-CB 3.32Å; L26-F30 WeakPolarHBondContact O-CD2 3.46Å; L26-F30 PolarHBondContact O-N 2.84Å; F30-F41 HydrophobicContact CD1-CE2 4.31Å
31	I	74.3	Confident	76.5	Confident	37 Å²	37	68 Å²	68	19%	0.19	36%	0.363	C	S	.	.	I	π-helix	trans	-122.3	-46.8	-175.8	-48.6	-171.5	0	0	0	112.6	L27 A35 L179 L183 R224	L27-I31 HydrophobicContact CD2-CD1 3.7Å; L27-I31 HydrophobicContact CD2-CG1 4.4Å; L27-I31 CarbonylContact O-C 3.4Å; L27-I31 WeakPolarHBondContact O-CA 3.44Å; L27-I31 VanDerWaalsContact O-CB 3.3Å; L27-I31 WeakPolarHBondContact O-CB 3.37Å; L27-I31 PolarHBondContact O-N 3.31Å; I31-A35 WeakPolarHBondContact O-CB 3.46Å; I31-A35 PolarHBondContact O-N 2.97Å; I31-L179 HydrophobicContact CD1-CD1 4.12Å; I31-L179 HydrophobicContact CD1-CD2 4.45Å; I31-L183 HydrophobicContact CB-CD2 4.27Å; I31-L183 HydrophobicContact CD1-CD1 3.96Å; I31-L183 HydrophobicContact CD1-CD2 4.49Å; I31-L183 HydrophobicContact CG2-CD1 3.94Å; I31-L183 HydrophobicContact CG2-CD2 3.69Å; I31-L183 HydrophobicContact CG2-CG 4.49Å; I31-R224 HydrophobicContact CG2-CB 4.13Å; I31-R224 PolarHBondContact O-NH1 3.49Å
32	I	74.4	Confident	76	Confident	17 Å²	17	66 Å²	66	9%	0.087	36%	0.36	C	S	.	.	I	π-helix	trans	-78.4	-50.9	-175.6	-59	176.8	0	0	0	111	L27 L28 A35 I36 T186 I221	L27-I32 PolarHBondContact O-N 2.93Å; L28-I32 PolarHBondContact O-N 3.13Å; I32-A35 WeakPolarHBondContact O-CA 3.34Å; I32-A35 WeakPolarHBondContact O-CB 3.31Å; I32-A35 PolarHBondContact O-N 3Å; I32-I36 HydrophobicContact CG2-CD1 4.29Å; I32-I36 PolarHBondContact O-N 2.88Å; I32-I36 VanDerWaalsContact O-N 3.12Å; I32-T186 HydrophobicContact CD1-CG2 4.22Å; I32-I221 HydrophobicContact CG2-CD1 4.16Å
33	V	81.3	Confident	75.7	Confident	54 Å²	54	68 Å²	68	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-48.1	-179	167.1	0	0	0	0	112	L28 A35 I36 F37	L28-V33 HydrophobicContact CD2-CG2 4.02Å; L28-V33 HydrophobicContact CG-CG2 4.47Å; L28-V33 WeakPolarHBondContact O-CB 3.35Å; L28-V33 VanDerWaalsContact O-CG2 3.31Å; L28-V33 WeakPolarHBondContact O-CG2 3.47Å; L28-V33 PolarHBondContact O-N 3.19Å; V33-A35 PolarHBondContact O-N 3.23Å; V33-A35 VanDerWaalsContact O-N 3.13Å; V33-I36 WeakPolarHBondContact O-CB 3.43Å; V33-I36 PolarHBondContact O-N 3.38Å; V33-F37 HydrophobicContact CG1-CD2 3.95Å; V33-F37 HydrophobicContact CG1-CE2 3.89Å; V33-F37 WeakPolarHBondContact O-CD2 3.43Å; V33-F37 PolarHBondContact O-N 3.43Å
34	P	79.1	Confident	75.8	Confident	7 Å²	7	66.7 Å²	66.7	5%	0.045	36%	0.361	C	S	.	.	H	α-helix	trans	-67.6	-15.8	176	-17.5	31.4	0	0	0	112.7	V29 G38 V39 F41 R224	V29-P34 VanDerWaalsContact O-CD 3.28Å; V29-P34 WeakPolarHBondContact O-CD 3.46Å; P34-G38 CarbonylContact O-C 3.43Å; P34-G38 WeakPolarHBondContact O-CA 3.42Å; P34-G38 PolarHBondContact O-N 3.46Å; P34-V39 VanDerWaalsContact CB-O 3.3Å; P34-V39 WeakPolarHBondContact CB-O 3.29Å; P34-V39 PolarHBondContact O-N 3.49Å; P34-F41 HydrophobicContact CB-CE2 4.26Å; P34-F41 HydrophobicContact CG-CD2 4.39Å; P34-F41 HydrophobicContact CG-CE2 3.49Å; P34-F41 VanDerWaalsContact CG-CE2 3.49Å; P34-F41 HydrophobicContact CG-CZ 4.06Å; P34-R224 VanDerWaalsContact C-NH2 3.31Å; P34-R224 PolarHBondContact O-NH2 3.38Å
35	A	71.6	Confident	75.9	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-75	-41.6	175.9	0	0	0	0	0	110.7	I31 I32 V33 F37 G38 R220 I221 R224	I31-A35 WeakPolarHBondContact O-CB 3.46Å; I31-A35 PolarHBondContact O-N 2.97Å; I32-A35 WeakPolarHBondContact O-CA 3.34Å; I32-A35 WeakPolarHBondContact O-CB 3.31Å; I32-A35 PolarHBondContact O-N 3Å; V33-A35 PolarHBondContact O-N 3.23Å; V33-A35 VanDerWaalsContact O-N 3.13Å; A35-F37 VanDerWaalsContact C-N 3.32Å; A35-F37 PolarHBondContact O-N 3.33Å; A35-G38 PolarHBondContact O-N 2.93Å; A35-R220 HydrophobicContact CB-CB 4.15Å; A35-R220 WeakPolarHBondContact O-CD 3.04Å; A35-R220 PolarHBondContact O-NH1 3.48Å; A35-I221 HydrophobicContact CB-CG1 4Å; A35-R224 VanDerWaalsContact CA-NH1 3.26Å; A35-R224 VanDerWaalsContact CA-NH2 3.25Å; A35-R224 VanDerWaalsContact N-CZ 3.29Å
36	I	75.9	Confident	76.1	Confident	81 Å²	81	73 Å²	73	42%	0.415	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-49.9	174.2	-61.8	169.4	0	0	0	109.5	I32 V33 M217	I32-I36 HydrophobicContact CG2-CD1 4.29Å; I32-I36 PolarHBondContact O-N 2.88Å; I32-I36 VanDerWaalsContact O-N 3.12Å; V33-I36 WeakPolarHBondContact O-CB 3.43Å; V33-I36 PolarHBondContact O-N 3.38Å; I36-M217 HydrophobicContact CD1-SD 4.28Å; I36-M217 HydrophobicContact CG1-CG 3.85Å; I36-M217 HydrophobicContact CG1-SD 3.78Å
37	F	76.8	Confident	76.6	Confident	148 Å²	148	71.9 Å²	71.9	65%	0.649	37%	0.373	S	S	*	.	H	α-helix	trans	-85.1	-8.2	-177	-62.3	-68.6	0	0	0	114.9	V33 A35 V39	V33-F37 HydrophobicContact CG1-CD2 3.95Å; V33-F37 HydrophobicContact CG1-CE2 3.89Å; V33-F37 WeakPolarHBondContact O-CD2 3.43Å; V33-F37 PolarHBondContact O-N 3.43Å; A35-F37 VanDerWaalsContact C-N 3.32Å; A35-F37 PolarHBondContact O-N 3.33Å; F37-V39 VanDerWaalsContact C-N 3.27Å; F37-V39 HydrophobicContact CB-CG2 3.99Å; F37-V39 PolarHBondContact O-N 3.08Å
38	G	68.8	Low	77.1	Confident	44 Å²	44	73.3 Å²	73.3	45%	0.454	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	18.4	-177.1	0	0	0	0	0	114.6	P34 A35	P34-G38 CarbonylContact O-C 3.43Å; P34-G38 WeakPolarHBondContact O-CA 3.42Å; P34-G38 PolarHBondContact O-N 3.46Å; A35-G38 PolarHBondContact O-N 2.93Å
39	V	72.3	Confident	77.6	Confident	78 Å²	78	76 Å²	76	47%	0.473	39%	0.389	S	S	.	.			trans	-91.4	150.3	-178.1	-177.3	0	0	0	0	110.8	P34 F37 R224	P34-V39 VanDerWaalsContact CB-O 3.3Å; P34-V39 WeakPolarHBondContact CB-O 3.29Å; P34-V39 PolarHBondContact O-N 3.49Å; F37-V39 VanDerWaalsContact C-N 3.27Å; F37-V39 HydrophobicContact CB-CG2 3.99Å; F37-V39 PolarHBondContact O-N 3.08Å; V39-R224 PolarHBondContact O-NH2 2.96Å
40	S	69	Low	78.2	Confident	67 Å²	67	76 Å²	76	47%	0.469	39%	0.388	S	S	.	.			trans	-134.3	130.5	175.4	178.9	0	0	0	0	110.5	G42	S40-G42 PolarHBondContact O-N 3.49Å; S40-G42 VanDerWaalsContact O-N 3.08Å
41	F	67.6	Low	79	Confident	124 Å²	124	70.9 Å²	70.9	54%	0.544	37%	0.366	S	S	.	.			trans	-77.5	18.6	-177.8	-63.4	-71	0	0	0	114.7	F30 P34 I43	F30-F41 HydrophobicContact CD1-CE2 4.31Å; P34-F41 HydrophobicContact CB-CE2 4.26Å; P34-F41 HydrophobicContact CG-CD2 4.39Å; P34-F41 HydrophobicContact CG-CE2 3.49Å; P34-F41 VanDerWaalsContact CG-CE2 3.49Å; P34-F41 HydrophobicContact CG-CZ 4.06Å; F41-I43 HydrophobicContact CB-CD1 4.06Å; F41-I43 HydrophobicContact CB-CG1 4.23Å; F41-I43 PolarHBondContact O-N 2.93Å
42	G	71.1	Confident	79.8	Confident	43 Å²	43	71.5 Å²	71.5	44%	0.443	37%	0.37	S	S	.	.	S	Bend	trans	70.6	-16.7	179.2	0	0	0	0	0	116.2	S40 R44 R45	S40-G42 PolarHBondContact O-N 3.49Å; S40-G42 VanDerWaalsContact O-N 3.08Å; G42-R44 PolarHBondContact O-N 3.48Å; G42-R45 WeakPolarHBondContact O-CB 3.44Å; G42-R45 PolarHBondContact O-N 3.4Å
43	I	78.6	Confident	80.7	Confident	118 Å²	118	77.9 Å²	77.9	61%	0.605	40%	0.397	S	S	*	.	H	α-helix	trans	-49.3	-37.5	178.2	-61.4	169	0	0	0	112	F41 R45 L46 Y47	F41-I43 HydrophobicContact CB-CD1 4.06Å; F41-I43 HydrophobicContact CB-CG1 4.23Å; F41-I43 PolarHBondContact O-N 2.93Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 3.36Å; I43-L46 PolarHBondContact O-N 3.29Å; I43-Y47 WeakPolarHBondContact O-CB 3.41Å; I43-Y47 PolarHBondContact O-N 3.1Å
44	R	78.9	Confident	81.2	Confident	73 Å²	73	77.8 Å²	77.8	28%	0.275	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-39.1	179.7	-60.6	-172.7	-170.5	-170.4	7.6	113	G42 Y47 M48 A228 I229	G42-R44 PolarHBondContact O-N 3.48Å; R44-Y47 PolarHBondContact O-N 2.95Å; R44-M48 WeakPolarHBondContact O-CG 3.11Å; R44-M48 PolarHBondContact O-N 3.04Å; R44-A228 PolarHBondContact NH1-O 3.36Å; R44-I229 HydrophobicContact CB-CD1 4.06Å; R44-I229 HydrophobicContact CB-CG1 4.41Å
45	R	81.1	Confident	81.7	Confident	182 Å²	182	77.6 Å²	77.6	69%	0.687	39%	0.393	S	S	*	.	H	α-helix	trans	-69	-40.7	-179.8	-169.3	-173.7	-62.9	-87.9	4.1	110.7	G42 I43 K49	G42-R45 WeakPolarHBondContact O-CB 3.44Å; G42-R45 PolarHBondContact O-N 3.4Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 3.36Å; R45-K49 WeakPolarHBondContact O-CG 3.32Å; R45-K49 PolarHBondContact O-N 2.99Å; R45-K49 VanDerWaalsContact O-N 3.08Å
46	L	86.2	Confident	82.6	Confident	116 Å²	116	83.5 Å²	83.5	61%	0.607	42%	0.42	S	S	*	.	H	α-helix	trans	-63.3	-48.5	174.4	-179.2	61.1	0	0	0	110.7	I43 M48 K49 T50	I43-L46 PolarHBondContact O-N 3.29Å; L46-M48 PolarHBondContact O-N 3.29Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-T50 PolarHBondContact O-N 3.38Å; L46-T50 PolarHBondContact O-OG1 3.19Å; L46-T50 VanDerWaalsContact O-OG1 3.04Å
47	Y	88.5	Confident	83.2	Confident	60 Å²	60	85.2 Å²	85.2	24%	0.235	42%	0.421	C	S	.	.	H	α-helix	trans	-54.1	-48.6	176.4	175.2	-112.2	0	0	0	112.5	I43 R44 T50 L51 T227 W380 A381	I43-Y47 WeakPolarHBondContact O-CB 3.41Å; I43-Y47 PolarHBondContact O-N 3.1Å; R44-Y47 PolarHBondContact O-N 2.95Å; Y47-T50 PolarHBondContact O-N 2.84Å; Y47-L51 HydrophobicContact CD1-CD1 4.07Å; Y47-L51 HydrophobicContact CD2-CD1 4.37Å; Y47-L51 HydrophobicContact CD2-CG 4.39Å; Y47-L51 HydrophobicContact CE1-CD1 3.51Å; Y47-L51 HydrophobicContact CE1-CG 4.48Å; Y47-L51 HydrophobicContact CE2-CD1 3.84Å; Y47-L51 HydrophobicContact CE2-CD2 4.37Å; Y47-L51 HydrophobicContact CE2-CG 4.06Å; Y47-L51 HydrophobicContact CG-CD1 4.49Å; Y47-L51 WeakPolarHBondContact O-CG 3.41Å; Y47-L51 PolarHBondContact O-N 3.42Å; Y47-T227 HydrophobicContact CE1-CG2 4.3Å; Y47-W380 PolarHBondContact OH-O 2.86Å; Y47-A381 HydrophobicContact CE1-CB 4.32Å
48	M	89	Confident	83.7	Confident	36 Å²	36	78.1 Å²	78.1	18%	0.177	39%	0.39	C	S	.	.	H	α-helix	trans	-60.3	-48.2	176.6	-75.9	-179.8	68.9	0	0	112.9	R44 L46 T50 L51 L52 I229 F357 V383	R44-M48 WeakPolarHBondContact O-CG 3.11Å; R44-M48 PolarHBondContact O-N 3.04Å; L46-M48 PolarHBondContact O-N 3.29Å; M48-T50 VanDerWaalsContact C-N 3.27Å; M48-T50 PolarHBondContact O-N 2.77Å; M48-L51 PolarHBondContact O-N 2.82Å; M48-L52 WeakPolarHBondContact O-CG 3.39Å; M48-L52 PolarHBondContact O-N 3.05Å; M48-I229 HydrophobicContact CG-CD1 3.34Å; M48-I229 HydrophobicContact SD-CB 4.05Å; M48-I229 HydrophobicContact SD-CD1 3.37Å; M48-I229 WeakPolarHBondContact SD-CD1 3.49Å; M48-I229 HydrophobicContact SD-CG1 4.28Å; M48-I229 HydrophobicContact SD-CG2 3.64Å; M48-F357 HydrophobicContact CB-CE1 4.19Å; M48-F357 HydrophobicContact CB-CZ 4.12Å; M48-F357 HydrophobicContact CE-CE2 3.94Å; M48-F357 HydrophobicContact CE-CZ 3.77Å; M48-F357 HydrophobicContact CG-CE1 4.09Å; M48-F357 HydrophobicContact CG-CZ 4.12Å; M48-V383 HydrophobicContact CE-CB 4.43Å; M48-V383 HydrophobicContact CE-CG1 3.54Å; M48-V383 HydrophobicContact CE-CG2 4.03Å; M48-V383 HydrophobicContact SD-CG1 4.44Å; M48-V383 HydrophobicContact SD-CG2 4.35Å
49	K	89.9	Confident	84.5	Confident	129 Å²	129	76.8 Å²	76.8	56%	0.561	37%	0.374	S	S	*	.	H	α-helix	trans	-60.4	-40.1	179.5	-76.3	-175.9	176.3	-170.9	0	111.2	R45 L46 K53	R45-K49 WeakPolarHBondContact O-CG 3.32Å; R45-K49 PolarHBondContact O-N 2.99Å; R45-K49 VanDerWaalsContact O-N 3.08Å; L46-K49 PolarHBondContact O-N 3.4Å; K49-K53 WeakPolarHBondContact O-CG 3.36Å; K49-K53 PolarHBondContact O-N 2.91Å
50	T	92.4	Very high	85.2	Confident	67 Å²	67	77.4 Å²	77.4	41%	0.411	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-46.9	176.3	-60.3	0	0	0	0	111.4	L46 Y47 M48 L52 K53 I54	L46-T50 PolarHBondContact O-N 3.38Å; L46-T50 PolarHBondContact O-OG1 3.19Å; L46-T50 VanDerWaalsContact O-OG1 3.04Å; Y47-T50 PolarHBondContact O-N 2.84Å; M48-T50 VanDerWaalsContact C-N 3.27Å; M48-T50 PolarHBondContact O-N 2.77Å; T50-L52 PolarHBondContact O-N 3.5Å; T50-K53 PolarHBondContact O-N 3.11Å; T50-I54 HydrophobicContact CG2-CD1 3.94Å; T50-I54 WeakPolarHBondContact O-CG1 3.5Å; T50-I54 PolarHBondContact O-N 3Å
51	L	92.5	Very high	86	Confident	7 Å²	7	77 Å²	77	4%	0.037	36%	0.362	C	S	.	.	H	α-helix	trans	-61.7	-43.8	177.8	-75.8	179.6	0	0	0	112.9	Y47 M48 K53 I54 F55 F357 W380	Y47-L51 HydrophobicContact CD1-CD1 4.07Å; Y47-L51 HydrophobicContact CD2-CD1 4.37Å; Y47-L51 HydrophobicContact CD2-CG 4.39Å; Y47-L51 HydrophobicContact CE1-CD1 3.51Å; Y47-L51 HydrophobicContact CE1-CG 4.48Å; Y47-L51 HydrophobicContact CE2-CD1 3.84Å; Y47-L51 HydrophobicContact CE2-CD2 4.37Å; Y47-L51 HydrophobicContact CE2-CG 4.06Å; Y47-L51 HydrophobicContact CG-CD1 4.49Å; Y47-L51 WeakPolarHBondContact O-CG 3.41Å; Y47-L51 PolarHBondContact O-N 3.42Å; M48-L51 PolarHBondContact O-N 2.82Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.29Å; L51-I54 WeakPolarHBondContact O-CA 3.44Å; L51-I54 WeakPolarHBondContact O-CB 3.45Å; L51-I54 PolarHBondContact O-N 2.86Å; L51-I54 VanDerWaalsContact O-N 3.1Å; L51-F55 HydrophobicContact CB-CE2 4.06Å; L51-F55 HydrophobicContact CB-CZ 3.95Å; L51-F55 HydrophobicContact CD1-CZ 4.4Å; L51-F55 HydrophobicContact CD2-CE1 4.24Å; L51-F55 HydrophobicContact CD2-CZ 4.08Å; L51-F55 HydrophobicContact CG-CZ 4.38Å; L51-F55 WeakPolarHBondContact O-CD1 3.28Å; L51-F55 WeakPolarHBondContact O-CD2 3.45Å; L51-F55 WeakPolarHBondContact O-CG 3.49Å; L51-F55 PolarHBondContact O-N 2.85Å; L51-F357 HydrophobicContact CB-CD1 4.43Å; L51-F357 HydrophobicContact CB-CE1 3.95Å; L51-F357 HydrophobicContact CD1-CD1 3.85Å; L51-F357 HydrophobicContact CD1-CE1 4.01Å; L51-W380 HydrophobicContact CD1-CB 3.74Å; L51-W380 HydrophobicContact CD1-CD2 4.48Å; L51-W380 HydrophobicContact CD1-CE3 4.38Å; L51-W380 HydrophobicContact CD1-CG 4.28Å; L51-W380 HydrophobicContact CD2-CD2 3.9Å; L51-W380 HydrophobicContact CD2-CE3 3.62Å; L51-W380 HydrophobicContact CD2-CG 4.4Å; L51-W380 HydrophobicContact CD2-CH2 4.47Å; L51-W380 HydrophobicContact CD2-CZ3 3.94Å
52	L	91.4	Very high	86.7	Confident	50 Å²	50	71.2 Å²	71.2	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-45.5	177.9	-73.3	171.3	0	0	0	111.6	M48 T50 I54 F55 E56 F357	M48-L52 WeakPolarHBondContact O-CG 3.39Å; M48-L52 PolarHBondContact O-N 3.05Å; T50-L52 PolarHBondContact O-N 3.5Å; L52-I54 VanDerWaalsContact C-N 3.26Å; L52-I54 PolarHBondContact O-N 3.2Å; L52-F55 PolarHBondContact O-N 2.91Å; L52-E56 WeakPolarHBondContact O-CB 3.35Å; L52-E56 PolarHBondContact O-N 3Å; L52-F357 HydrophobicContact CD1-CZ 4.02Å; L52-F357 HydrophobicContact CD2-CE2 4.01Å; L52-F357 HydrophobicContact CD2-CZ 3.71Å; L52-F357 HydrophobicContact CG-CE1 4.31Å; L52-F357 HydrophobicContact CG-CE2 4.37Å; L52-F357 HydrophobicContact CG-CZ 3.62Å
53	K	92	Very high	87.2	Confident	151 Å²	151	72.7 Å²	72.7	66%	0.657	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-38.9	174.5	-73.7	-178.5	176.5	-170.6	0	112.1	K49 T50 L51 W57	K49-K53 WeakPolarHBondContact O-CG 3.36Å; K49-K53 PolarHBondContact O-N 2.91Å; T50-K53 PolarHBondContact O-N 3.11Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.29Å; K53-W57 VanDerWaalsContact O-CB 3.25Å; K53-W57 WeakPolarHBondContact O-CB 3.42Å; K53-W57 PolarHBondContact O-N 3.37Å
54	I	92.1	Very high	87.5	Confident	53 Å²	53	74 Å²	74	27%	0.272	33%	0.329	S	S	.	.	H	α-helix	trans	-65.8	-45.8	176.4	-73.1	167.1	0	0	0	111.2	T50 L51 L52 W57 A58 L146 L164	T50-I54 HydrophobicContact CG2-CD1 3.94Å; T50-I54 WeakPolarHBondContact O-CG1 3.5Å; T50-I54 PolarHBondContact O-N 3Å; L51-I54 WeakPolarHBondContact O-CA 3.44Å; L51-I54 WeakPolarHBondContact O-CB 3.45Å; L51-I54 PolarHBondContact O-N 2.86Å; L51-I54 VanDerWaalsContact O-N 3.1Å; L52-I54 VanDerWaalsContact C-N 3.26Å; L52-I54 PolarHBondContact O-N 3.2Å; I54-W57 PolarHBondContact O-N 3.2Å; I54-A58 VanDerWaalsContact O-CB 3.31Å; I54-A58 WeakPolarHBondContact O-CB 3.47Å; I54-A58 PolarHBondContact O-N 2.94Å; I54-L146 HydrophobicContact CG2-CD1 3.69Å; I54-L164 HydrophobicContact CG2-CD2 3.89Å
55	F	90.9	Very high	87.5	Confident	3 Å²	3	70.5 Å²	70.5	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-41.7	-179.6	-58.2	-21.9	0	0	0	111.8	L51 L52 A58 T59 N145 R356 F357 W380	L51-F55 HydrophobicContact CB-CE2 4.06Å; L51-F55 HydrophobicContact CB-CZ 3.95Å; L51-F55 HydrophobicContact CD1-CZ 4.4Å; L51-F55 HydrophobicContact CD2-CE1 4.24Å; L51-F55 HydrophobicContact CD2-CZ 4.08Å; L51-F55 HydrophobicContact CG-CZ 4.38Å; L51-F55 WeakPolarHBondContact O-CD1 3.28Å; L51-F55 WeakPolarHBondContact O-CD2 3.45Å; L51-F55 WeakPolarHBondContact O-CG 3.49Å; L51-F55 PolarHBondContact O-N 2.85Å; L52-F55 PolarHBondContact O-N 2.91Å; F55-A58 PolarHBondContact O-N 2.76Å; F55-T59 WeakPolarHBondContact O-CB 3.33Å; F55-T59 PolarHBondContact O-N 3.41Å; F55-T59 PolarHBondContact O-OG1 3.28Å; F55-N145 HydrophobicContact CD1-CB 4.22Å; F55-N145 HydrophobicContact CD2-CB 4.19Å; F55-N145 HydrophobicContact CE1-CB 4.11Å; F55-N145 WeakPolarHBondContact CE1-O 3.43Å; F55-N145 HydrophobicContact CE2-CB 4.07Å; F55-N145 HydrophobicContact CG-CB 4.28Å; F55-N145 HydrophobicContact CZ-CB 4.04Å; F55-R356 WeakPolarHBondContact CE2-O 3.2Å; F55-F357 HydrophobicContact CE2-CD1 4.18Å; F55-F357 HydrophobicContact CE2-CE1 4.44Å; F55-W380 AromaticContact CE1-CD1 3.9Å; F55-W380 HydrophobicContact CE1-CG 4.41Å; F55-W380 AromaticContact CE1-NE1 3.66Å; F55-W380 HydrophobicContact CZ-CB 4.37Å; F55-W380 AromaticContact CZ-CD1 3.45Å; F55-W380 VanDerWaalsContact CZ-CD1 3.45Å; F55-W380 HydrophobicContact CZ-CD2 4.33Å; F55-W380 AromaticContact CZ-CG 3.82Å; F55-W380 HydrophobicContact CZ-CG 3.82Å; F55-W380 AromaticContact CZ-NE1 3.73Å
56	E	88.6	Confident	87.4	Confident	124 Å²	124	62.2 Å²	62.2	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-62.1	-49	175.1	-175.8	179.1	-170	0	0	111	L52 A58 T59 L60	L52-E56 WeakPolarHBondContact O-CB 3.35Å; L52-E56 PolarHBondContact O-N 3Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 3.48Å; E56-T59 PolarHBondContact O-N 3.09Å; E56-L60 HydrophobicContact CG-CD1 4.29Å; E56-L60 WeakPolarHBondContact O-CG 2.91Å; E56-L60 PolarHBondContact O-N 3.28Å
57	W	90.1	Very high	87.1	Confident	116 Å²	116	64.4 Å²	64.4	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-42.6	175.2	177.3	87.9	0	0	0	112.2	K53 I54 T59 R61 R160 L161 L164	K53-W57 VanDerWaalsContact O-CB 3.25Å; K53-W57 WeakPolarHBondContact O-CB 3.42Å; K53-W57 PolarHBondContact O-N 3.37Å; I54-W57 PolarHBondContact O-N 3.2Å; W57-T59 VanDerWaalsContact C-N 3.35Å; W57-R61 WeakPolarHBondContact O-CB 3.45Å; W57-R61 PolarHBondContact O-N 3.49Å; W57-R160 HydrophobicContact CH2-CB 4.35Å; W57-L161 HydrophobicContact CE3-CD2 4.3Å; W57-L161 HydrophobicContact CH2-CD2 4.4Å; W57-L161 HydrophobicContact CZ3-CD2 3.68Å; W57-L164 HydrophobicContact CE3-CD2 4.06Å; W57-L164 HydrophobicContact CZ3-CD2 3.71Å
58	A	87.5	Confident	86.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-42.3	178.8	0	0	0	0	0	111.8	I54 F55 E56 R61 I62 L146 L161	I54-A58 VanDerWaalsContact O-CB 3.31Å; I54-A58 WeakPolarHBondContact O-CB 3.47Å; I54-A58 PolarHBondContact O-N 2.94Å; F55-A58 PolarHBondContact O-N 2.76Å; E56-A58 VanDerWaalsContact C-N 3.3Å; E56-A58 PolarHBondContact O-N 3.48Å; A58-R61 PolarHBondContact O-N 2.7Å; A58-I62 WeakPolarHBondContact O-CG1 3.42Å; A58-I62 PolarHBondContact O-N 2.84Å; A58-L146 HydrophobicContact CB-CD2 4.1Å; A58-L161 HydrophobicContact CB-CD2 3.66Å
59	T	85.2	Confident	86	Confident	16 Å²	16	71.7 Å²	71.7	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-50.8	178.6	-56.6	0	0	0	0	111.1	F55 E56 W57 R61 I62 E63 S143 W144	F55-T59 WeakPolarHBondContact O-CB 3.33Å; F55-T59 PolarHBondContact O-N 3.41Å; F55-T59 PolarHBondContact O-OG1 3.28Å; E56-T59 PolarHBondContact O-N 3.09Å; W57-T59 VanDerWaalsContact C-N 3.35Å; T59-R61 PolarHBondContact O-N 3.35Å; T59-R61 VanDerWaalsContact O-N 3.17Å; T59-I62 WeakPolarHBondContact O-CB 3.35Å; T59-I62 PolarHBondContact O-N 2.89Å; T59-E63 WeakPolarHBondContact O-CG 3.27Å; T59-E63 PolarHBondContact O-N 2.78Å; T59-S143 WeakPolarHBondContact OG1-CA 3.36Å; T59-S143 VanDerWaalsContact OG1-CB 3.22Å; T59-S143 WeakPolarHBondContact OG1-CB 3.21Å; T59-W144 PolarHBondContact OG1-N 3.09Å
60	L	85.6	Confident	85.1	Confident	90 Å²	90	72.9 Å²	72.9	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-56.8	-34.7	175.9	-71.6	172.8	0	0	0	112.5	E56 R64	E56-L60 HydrophobicContact CG-CD1 4.29Å; E56-L60 WeakPolarHBondContact O-CG 2.91Å; E56-L60 PolarHBondContact O-N 3.28Å; L60-R64 WeakPolarHBondContact O-CB 3.47Å; L60-R64 PolarHBondContact O-N 3.35Å
61	R	86.1	Confident	84	Confident	58 Å²	58	74.9 Å²	74.9	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-70.5	-40.8	178	-174.3	61.6	179.9	162.7	6.2	112.1	W57 A58 T59 R64 G65 L161	W57-R61 WeakPolarHBondContact O-CB 3.45Å; W57-R61 PolarHBondContact O-N 3.49Å; A58-R61 PolarHBondContact O-N 2.7Å; T59-R61 PolarHBondContact O-N 3.35Å; T59-R61 VanDerWaalsContact O-N 3.17Å; R61-R64 PolarHBondContact O-N 3.41Å; R61-G65 PolarHBondContact O-N 3.2Å; R61-L161 HydrophobicContact CB-CD1 4.23Å; R61-L161 HydrophobicContact CB-CD2 4.49Å; R61-L161 HydrophobicContact CG-CD1 3.95Å; R61-L161 HydrophobicContact CG-CG 4.2Å
62	I	83.2	Confident	82.5	Confident	4 Å²	4	82.9 Å²	82.9	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-62.7	-47.2	174.1	-71.4	169.5	0	0	0	110	A58 T59 R64 G65 A66 L73 W144 F154 L161	A58-I62 WeakPolarHBondContact O-CG1 3.42Å; A58-I62 PolarHBondContact O-N 2.84Å; T59-I62 WeakPolarHBondContact O-CB 3.35Å; T59-I62 PolarHBondContact O-N 2.89Å; I62-R64 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.46Å; I62-G65 PolarHBondContact O-N 3.02Å; I62-G65 VanDerWaalsContact O-N 3.16Å; I62-A66 WeakPolarHBondContact O-CB 3.43Å; I62-A66 PolarHBondContact O-N 2.77Å; I62-L73 HydrophobicContact CG2-CD2 4Å; I62-W144 HydrophobicContact CD1-CB 4.07Å; I62-W144 HydrophobicContact CD1-CD2 4.43Å; I62-W144 HydrophobicContact CD1-CE3 3.75Å; I62-F154 HydrophobicContact CD1-CB 4.28Å; I62-F154 HydrophobicContact CD1-CD1 3.99Å; I62-F154 HydrophobicContact CD1-CD2 4.49Å; I62-F154 HydrophobicContact CD1-CE1 4.41Å; I62-F154 HydrophobicContact CD1-CG 4Å; I62-F154 HydrophobicContact CG2-CD1 3.48Å; I62-F154 VanDerWaalsContact CG2-CD1 3.48Å; I62-F154 HydrophobicContact CG2-CE1 3.96Å; I62-F154 HydrophobicContact CG2-CG 4.34Å; I62-L161 HydrophobicContact CD1-CD1 4.36Å; I62-L161 HydrophobicContact CG1-CD1 3.63Å
63	E	82.1	Confident	81.1	Confident	73 Å²	73	83.4 Å²	83.4	34%	0.341	38%	0.381	S	S	.	.	H	α-helix	trans	-57.3	-44.4	177	-69.6	-178.3	168.7	0	0	112.7	T59 A66 K67 L73	T59-E63 WeakPolarHBondContact O-CG 3.27Å; T59-E63 PolarHBondContact O-N 2.78Å; E63-A66 PolarHBondContact O-N 2.93Å; E63-K67 WeakPolarHBondContact O-CG 3.46Å; E63-K67 PolarHBondContact O-N 2.96Å; E63-L73 HydrophobicContact CB-CD1 3.97Å; E63-L73 HydrophobicContact CG-CD1 3.52Å
64	R	83.4	Confident	79.4	Confident	145 Å²	145	81.4 Å²	81.4	55%	0.547	37%	0.371	S	S	.	.	H	α-helix	trans	-62.9	-45.8	175.5	-166	-176.6	-56.7	-178.9	-0.2	111.9	L60 R61 I62 A66 K67 E68	L60-R64 WeakPolarHBondContact O-CB 3.47Å; L60-R64 PolarHBondContact O-N 3.35Å; R61-R64 PolarHBondContact O-N 3.41Å; I62-R64 VanDerWaalsContact C-N 3.32Å; I62-R64 PolarHBondContact O-N 3.46Å; R64-A66 VanDerWaalsContact C-N 3.3Å; R64-A66 PolarHBondContact O-N 3.12Å; R64-K67 PolarHBondContact O-N 3.32Å; R64-E68 WeakPolarHBondContact CG-OE1 3.47Å; R64-E68 WeakPolarHBondContact O-CB 3.31Å; R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 3.24Å
65	G	80.3	Confident	77.7	Confident	1 Å²	1	87 Å²	87	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-64.8	-32.5	179.1	0	0	0	0	0	113.4	R61 I62 K69	R61-G65 PolarHBondContact O-N 3.2Å; I62-G65 PolarHBondContact O-N 3.02Å; I62-G65 VanDerWaalsContact O-N 3.16Å; G65-K69 WeakPolarHBondContact O-CB 3.42Å; G65-K69 WeakPolarHBondContact O-CG 3.46Å; G65-K69 PolarHBondContact O-N 3.25Å
66	A	78.6	Confident	75.9	Confident	7 Å²	7	89 Å²	89	6%	0.058	41%	0.406	C	S	.	.	H	α-helix	trans	-69.9	-44.1	173.9	0	0	0	0	0	111.7	I62 E63 R64 K69 N70 H71 L73	I62-A66 WeakPolarHBondContact O-CB 3.43Å; I62-A66 PolarHBondContact O-N 2.77Å; E63-A66 PolarHBondContact O-N 2.93Å; R64-A66 VanDerWaalsContact C-N 3.3Å; R64-A66 PolarHBondContact O-N 3.12Å; A66-K69 CarbonylContact O-C 3.59Å; A66-K69 PolarHBondContact O-N 3.37Å; A66-N70 PolarHBondContact O-N 2.72Å; A66-H71 PolarHBondContact O-N 2.89Å; A66-L73 HydrophobicContact CB-CD1 3.96Å; A66-L73 HydrophobicContact CB-CD2 3.76Å; A66-L73 HydrophobicContact CB-CG 3.53Å
67	K	79.9	Confident	74	Confident	163 Å²	163	90.6 Å²	90.6	71%	0.709	41%	0.408	S	S	*	.	H	α-helix	trans	-59.5	-46.6	173.7	-73.8	178.9	-179	-178.2	0	112.2	E63 R64 K69 N70	E63-K67 WeakPolarHBondContact O-CG 3.46Å; E63-K67 PolarHBondContact O-N 2.96Å; R64-K67 PolarHBondContact O-N 3.32Å; K67-K69 PolarHBondContact O-N 3.44Å; K67-N70 PolarHBondContact O-N 2.95Å
68	E	80.1	Confident	71.8	Confident	124 Å²	124	89.9 Å²	89.9	58%	0.579	42%	0.421	S	S	*	.	H	α-helix	trans	-59.3	-26.8	177.8	-75.1	168.8	-170.8	0	0	112.6	R64	R64-E68 WeakPolarHBondContact CG-OE1 3.47Å; R64-E68 WeakPolarHBondContact O-CB 3.31Å; R64-E68 WeakPolarHBondContact O-CG 3.29Å; R64-E68 PolarHBondContact O-N 3.24Å
69	K	73.1	Confident	69.8	Low	125 Å²	125	96.1 Å²	96.1	54%	0.543	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	8.7	-177.7	-69.5	-174.7	171.4	-162.7	0	114.4	G65 A66 K67 H71 Y156	G65-K69 WeakPolarHBondContact O-CB 3.42Å; G65-K69 WeakPolarHBondContact O-CG 3.46Å; G65-K69 PolarHBondContact O-N 3.25Å; A66-K69 CarbonylContact O-C 3.59Å; A66-K69 PolarHBondContact O-N 3.37Å; K67-K69 PolarHBondContact O-N 3.44Å; K69-H71 PolarHBondContact O-N 3.48Å; K69-H71 VanDerWaalsContact O-N 3.14Å; K69-Y156 HydrophobicContact CD-CD2 4.22Å; K69-Y156 HydrophobicContact CD-CE2 4.47Å; K69-Y156 HydrophobicContact CD-CG 4.39Å
70	N	71.1	Confident	68.3	Low	153 Å²	153	99 Å²	99	82%	0.818	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	32.7	-172.4	-66.2	-38.7	0	0	0	113.4	A66 K67	A66-N70 PolarHBondContact O-N 2.72Å; K67-N70 PolarHBondContact O-N 2.95Å
71	H	70.3	Confident	66.7	Low	109 Å²	109	99.2 Å²	99.2	51%	0.505	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-96.8	127.2	177.5	-158.2	87.3	0	0	0	109.3	A66 K69 L73	A66-H71 PolarHBondContact O-N 2.89Å; K69-H71 PolarHBondContact O-N 3.48Å; K69-H71 VanDerWaalsContact O-N 3.14Å; H71-L73 PolarHBondContact O-N 3.35Å
72	H	61.4	Low	65.3	Low	176 Å²	176	98.3 Å²	98.3	82%	0.815	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-70.7	124.1	173.8	-74	-83.9	0	0	0	109.5
73	L	61.1	Low	63.8	Low	60 Å²	60	102.7 Å²	102.7	31%	0.314	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-75	129	167	-75.8	174.4	0	0	0	109.3	I62 E63 A66 H71 K75 F154	I62-L73 HydrophobicContact CG2-CD2 4Å; E63-L73 HydrophobicContact CB-CD1 3.97Å; E63-L73 HydrophobicContact CG-CD1 3.52Å; A66-L73 HydrophobicContact CB-CD1 3.96Å; A66-L73 HydrophobicContact CB-CD2 3.76Å; A66-L73 HydrophobicContact CB-CG 3.53Å; H71-L73 PolarHBondContact O-N 3.35Å; L73-K75 PolarHBondContact O-N 3.36Å; L73-F154 HydrophobicContact CD2-CD1 4.5Å
74	Y	56.7	Low	62.7	Low	110 Å²	110	104.6 Å²	104.6	43%	0.431	52%	0.52	S	S	.	.			trans	-61.9	115.8	166.2	-178.3	-96.7	0	0	0	108.8	Y77	Y74-Y77 HydrophobicContact CE2-CD2 4.12Å; Y74-Y77 AromaticContact CE2-CE2 3.92Å; Y74-Y77 HydrophobicContact CE2-CE2 3.92Å
75	K	56.2	Low	61.6	Low	171 Å²	171	104.9 Å²	104.9	74%	0.743	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-90.9	131.5	166.4	-73.9	-171.3	174.8	-173.4	0	107.8	L73 Y77	L73-K75 PolarHBondContact O-N 3.36Å; K75-Y77 PolarHBondContact O-N 2.97Å; K75-Y77 VanDerWaalsContact O-N 3.17Å
76	P	52.5	Low	60.5	Low	43 Å²	43	111.4 Å²	111.4	28%	0.279	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-53.2	125.3	171.6	-19.8	30.4	0	0	0	108.7	S78 E142	P76-S78 PolarHBondContact O-N 2.85Å; P76-E142 HydrophobicContact CG-CG 4.2Å
77	Y	50.5	Low	60	Low	159 Å²	159	113.8 Å²	113.8	62%	0.624	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-56.8	129.2	-175.4	-87.6	-92.5	0	0	0	111.2	Y74 K75 I81	Y74-Y77 HydrophobicContact CE2-CD2 4.12Å; Y74-Y77 AromaticContact CE2-CE2 3.92Å; Y74-Y77 HydrophobicContact CE2-CE2 3.92Å; K75-Y77 PolarHBondContact O-N 2.97Å; K75-Y77 VanDerWaalsContact O-N 3.17Å; Y77-I81 HydrophobicContact CD1-CD1 3.56Å; Y77-I81 HydrophobicContact CD1-CG1 3.88Å; Y77-I81 HydrophobicContact CE1-CD1 3.49Å; Y77-I81 VanDerWaalsContact CE1-CD1 3.49Å; Y77-I81 HydrophobicContact CE1-CG1 4.08Å; Y77-I81 HydrophobicContact CG-CD1 4.43Å
78	S	43.1	Very low	60	Low	101 Å²	101	108.5 Å²	108.5	71%	0.706	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-63.9	135.1	160.8	51	0	0	0	0	109	P76	P76-S78 PolarHBondContact O-N 2.85Å
79	N	46.5	Very low	60.1	Low	131 Å²	131	103.6 Å²	103.6	70%	0.701	55%	0.545	S	S	*	.	S	Bend	trans	-54.6	144.9	-179.8	-66.1	-41.9	0	0	0	111.9
80	A	51.7	Low	60.5	Low	76 Å²	76	101.8 Å²	101.8	63%	0.628	54%	0.538	S	S	*	.			trans	73.8	82.2	180	0	0	0	0	0	115.3
81	I	52.8	Low	61	Low	95 Å²	95	99.8 Å²	99.8	49%	0.487	52%	0.524	S	S	.	.	S	Bend	trans	-71.7	-28.3	164.1	-61	172.8	0	0	0	109.8	Y77 M128	Y77-I81 HydrophobicContact CD1-CD1 3.56Å; Y77-I81 HydrophobicContact CD1-CG1 3.88Å; Y77-I81 HydrophobicContact CE1-CD1 3.49Å; Y77-I81 VanDerWaalsContact CE1-CD1 3.49Å; Y77-I81 HydrophobicContact CE1-CG1 4.08Å; Y77-I81 HydrophobicContact CG-CD1 4.43Å; I81-M128 HydrophobicContact CB-CE 4.36Å; I81-M128 HydrophobicContact CD1-CE 4.26Å; I81-M128 HydrophobicContact CG2-CE 3.95Å
82	I	56.1	Low	61.6	Low	38 Å²	38	95.6 Å²	95.6	20%	0.195	51%	0.505	C	S	.	.	S	Bend	trans	-113.7	118.3	-176.2	-54.3	-180	0	0	0	108	R84 E125 M128	I82-R84 PolarHBondContact O-N 3.29Å; I82-E125 HydrophobicContact CD1-CB 4.35Å; I82-E125 HydrophobicContact CD1-CG 3.72Å; I82-M128 HydrophobicContact CD1-CE 4.1Å; I82-M128 HydrophobicContact CD1-SD 4.19Å; I82-M128 HydrophobicContact CG1-CE 4.4Å
83	A	53.3	Low	62.7	Low	97 Å²	97	87.2 Å²	87.2	80%	0.802	47%	0.466	S	S	*	.			trans	-68.5	113.8	167.6	0	0	0	0	0	107.9
84	R	58.5	Low	63.7	Low	113 Å²	113	89.3 Å²	89.3	43%	0.426	47%	0.473	S	S	.	.			trans	-89	111.3	173.9	-66.7	-175.4	-178.8	-177.4	-1.5	108.5	I82 D129	I82-R84 PolarHBondContact O-N 3.29Å; R84-D129 IonicContact CZ-OD2 3.57Å; R84-D129 IonicContact NE-OD2 3.71Å; R84-D129 PolarHBondContact NE-OD2 3.12Å; R84-D129 IonicContact NH2-OD2 3.86Å; R84-D129 PolarHBondContact NH2-OD2 3.19Å; R84-D129 VanDerWaalsContact NH2-OD2 3.11Å
85	E	59.7	Low	65	Low	151 Å²	151	90.5 Å²	90.5	71%	0.706	48%	0.482	S	S	*	.			trans	-77	138.7	158	-67.4	-169	172.2	0	0	108.1	T87	E85-T87 HydrophobicContact CB-CG2 4.44Å; E85-T87 PolarHBondContact O-N 2.84Å; E85-T87 PolarHBondContact O-OG1 2.98Å
86	P	58.2	Low	66.3	Low	138 Å²	138	84 Å²	84	90%	0.896	46%	0.455	S	S	*	.			trans	-76.5	72.6	177	31.6	-32.9	0	0	0	109.5
87	T	68.3	Low	67.7	Low	56 Å²	56	83.7 Å²	83.7	34%	0.344	45%	0.448	S	S	.	.			trans	-90.6	145.1	174.3	35.1	0	0	0	0	110.7	E85 E92	E85-T87 HydrophobicContact CB-CG2 4.44Å; E85-T87 PolarHBondContact O-N 2.84Å; E85-T87 PolarHBondContact O-OG1 2.98Å; T87-E92 WeakPolarHBondContact OG1-CG 3.22Å; T87-E92 PolarHBondContact OG1-OE1 3.42Å
88	S	79.3	Confident	68.9	Low	53 Å²	53	85.7 Å²	85.7	37%	0.371	46%	0.455	S	S	.	.			trans	-75.5	152.6	176.9	66.4	0	0	0	0	111.1	E90 E91 E92	S88-E90 PolarHBondContact O-N 2.93Å; S88-E90 VanDerWaalsContact O-N 3.17Å; S88-E91 WeakPolarHBondContact CB-OE2 3.31Å; S88-E91 PolarHBondContact N-OE2 2.94Å; S88-E91 PolarHBondContact O-N 3.46Å; S88-E91 WeakPolarHBondContact OG-CG 3.41Å; S88-E91 PolarHBondContact OG-N 2.9Å; S88-E91 PolarHBondContact OG-OE2 3.37Å; S88-E92 PolarHBondContact O-N 2.77Å; S88-E92 VanDerWaalsContact O-N 3.16Å
89	L	82.2	Confident	70.3	Confident	21 Å²	21	85.7 Å²	85.7	11%	0.11	46%	0.455	C	S	.	.	H	α-helix	trans	-53.1	-37.4	176.7	175	147.2	0	0	0	112	I93 Y118 Y443 M446	L89-I93 HydrophobicContact CD2-CD1 3.7Å; L89-I93 HydrophobicContact CG-CD1 3.95Å; L89-I93 WeakPolarHBondContact O-CB 3.12Å; L89-I93 VanDerWaalsContact O-CG1 3.28Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.05Å; L89-Y118 HydrophobicContact CD1-CE1 3.71Å; L89-Y118 HydrophobicContact CG-CE1 3.87Å; L89-Y443 HydrophobicContact CD2-CD2 4.44Å; L89-M446 HydrophobicContact CD2-SD 4.45Å
90	E	80.6	Confident	71.2	Confident	87 Å²	87	82.8 Å²	82.8	41%	0.407	46%	0.456	S	S	.	.	H	α-helix	trans	-68.9	-38.8	179.1	-65.9	-179	-166.9	0	0	112.6	S88 K94 M446	S88-E90 PolarHBondContact O-N 2.93Å; S88-E90 VanDerWaalsContact O-N 3.17Å; E90-K94 WeakPolarHBondContact O-CB 3.34Å; E90-K94 WeakPolarHBondContact O-CD 3.36Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.24Å; E90-M446 HydrophobicContact CG-CB 4.39Å; E90-M446 HydrophobicContact CG-CG 4.25Å
91	E	82.3	Confident	71.6	Confident	110 Å²	110	82.5 Å²	82.5	51%	0.514	45%	0.449	S	S	.	.	H	α-helix	trans	-67.9	-46.7	179.5	-75.2	163.6	153.1	0	0	111.6	S88 I93 K94 E95	S88-E91 WeakPolarHBondContact CB-OE2 3.31Å; S88-E91 PolarHBondContact N-OE2 2.94Å; S88-E91 PolarHBondContact O-N 3.46Å; S88-E91 WeakPolarHBondContact OG-CG 3.41Å; S88-E91 PolarHBondContact OG-N 2.9Å; S88-E91 PolarHBondContact OG-OE2 3.37Å; E91-I93 VanDerWaalsContact C-N 3.35Å; E91-I93 PolarHBondContact O-N 3.36Å; E91-K94 PolarHBondContact O-N 2.85Å; E91-E95 WeakPolarHBondContact O-CB 3.38Å; E91-E95 PolarHBondContact O-N 3.34Å
92	E	83.1	Confident	71.6	Confident	21 Å²	21	85.6 Å²	85.6	10%	0.098	47%	0.467	C	S	.	.	H	α-helix	trans	-64	-40.7	180	-70.3	-174.6	-144.1	0	0	111.8	T87 S88 E95 I96 Y118	T87-E92 WeakPolarHBondContact OG1-CG 3.22Å; T87-E92 PolarHBondContact OG1-OE1 3.42Å; S88-E92 PolarHBondContact O-N 2.77Å; S88-E92 VanDerWaalsContact O-N 3.16Å; E92-E95 PolarHBondContact O-N 3.31Å; E92-I96 WeakPolarHBondContact O-CG1 3.39Å; E92-I96 PolarHBondContact O-N 3.22Å; E92-Y118 HydrophobicContact CB-CD2 3.87Å; E92-Y118 HydrophobicContact CB-CE2 3.75Å; E92-Y118 HydrophobicContact CG-CE2 4.4Å; E92-Y118 VanDerWaalsContact OE2-CE2 3.24Å; E92-Y118 WeakPolarHBondContact OE2-CE2 3.36Å
93	I	84.4	Confident	71.5	Confident	0 Å²	0	93.4 Å²	93.4	0%	0	50%	0.5	C	S	.	.	H	α-helix	trans	-67	-44.1	176.6	-69.7	175	0	0	0	110.7	L89 E91 E95 I96 R97 D115 Y118 Y443 M446	L89-I93 HydrophobicContact CD2-CD1 3.7Å; L89-I93 HydrophobicContact CG-CD1 3.95Å; L89-I93 WeakPolarHBondContact O-CB 3.12Å; L89-I93 VanDerWaalsContact O-CG1 3.28Å; L89-I93 WeakPolarHBondContact O-CG1 3.4Å; L89-I93 PolarHBondContact O-N 3.05Å; E91-I93 VanDerWaalsContact C-N 3.35Å; E91-I93 PolarHBondContact O-N 3.36Å; I93-E95 VanDerWaalsContact C-N 3.27Å; I93-E95 PolarHBondContact O-N 3.11Å; I93-I96 PolarHBondContact O-N 3.31Å; I93-R97 HydrophobicContact CG2-CG 4.41Å; I93-R97 VanDerWaalsContact O-CG 3.3Å; I93-R97 WeakPolarHBondContact O-CG 3.38Å; I93-R97 PolarHBondContact O-N 2.95Å; I93-D115 WeakPolarHBondContact CG2-OD1 3.3Å; I93-Y118 HydrophobicContact CD1-CD1 3.92Å; I93-Y118 HydrophobicContact CD1-CE1 4.29Å; I93-Y118 HydrophobicContact CD1-CG 4.18Å; I93-Y118 HydrophobicContact CG1-CD1 3.97Å; I93-Y118 HydrophobicContact CG1-CD2 4.02Å; I93-Y118 HydrophobicContact CG1-CG 3.7Å; I93-Y443 HydrophobicContact CD1-CD2 3.92Å; I93-Y443 HydrophobicContact CD1-CE2 3.88Å; I93-M446 HydrophobicContact CB-SD 4.06Å; I93-M446 HydrophobicContact CD1-CE 4.04Å; I93-M446 HydrophobicContact CD1-SD 3.91Å; I93-M446 HydrophobicContact CG2-CE 3.94Å; I93-M446 HydrophobicContact CG2-SD 3.81Å
94	K	82.6	Confident	71.4	Confident	105 Å²	105	95.4 Å²	95.4	46%	0.457	50%	0.497	S	S	.	.	H	α-helix	trans	-59.7	-38	175.1	-77.5	170.4	-177.5	167.9	0	112.1	E90 E91 R97 R98	E90-K94 WeakPolarHBondContact O-CB 3.34Å; E90-K94 WeakPolarHBondContact O-CD 3.36Å; E90-K94 WeakPolarHBondContact O-CG 3.47Å; E90-K94 PolarHBondContact O-N 3.24Å; E91-K94 PolarHBondContact O-N 2.85Å; K94-R97 PolarHBondContact O-N 3.49Å; K94-R98 WeakPolarHBondContact O-CB 3.39Å; K94-R98 VanDerWaalsContact O-CG 3.25Å; K94-R98 WeakPolarHBondContact O-CG 3.48Å; K94-R98 PolarHBondContact O-N 3.1Å
95	E	83.1	Confident	71	Confident	135 Å²	135	97 Å²	97	63%	0.631	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-45.7	176.1	-170.5	-179.7	179.7	0	0	111.9	E91 E92 I93 R97 R98 S99	E91-E95 WeakPolarHBondContact O-CB 3.38Å; E91-E95 PolarHBondContact O-N 3.34Å; E92-E95 PolarHBondContact O-N 3.31Å; I93-E95 VanDerWaalsContact C-N 3.27Å; I93-E95 PolarHBondContact O-N 3.11Å; E95-R97 VanDerWaalsContact C-N 3.33Å; E95-R97 PolarHBondContact O-N 3.34Å; E95-R98 PolarHBondContact O-N 2.71Å; E95-S99 PolarHBondContact O-N 3.46Å
96	I	82.9	Confident	70.7	Confident	34 Å²	34	98.7 Å²	98.7	17%	0.174	53%	0.527	C	S	.	.	H	α-helix	trans	-58.6	-45.8	176	-70.6	163.7	0	0	0	110.6	E92 I93 R98 S99 G100 Y118	E92-I96 WeakPolarHBondContact O-CG1 3.39Å; E92-I96 PolarHBondContact O-N 3.22Å; I93-I96 PolarHBondContact O-N 3.31Å; I96-R98 PolarHBondContact O-N 2.77Å; I96-S99 PolarHBondContact O-N 2.9Å; I96-S99 PolarHBondContact O-OG 2.96Å; I96-G100 PolarHBondContact O-N 2.81Å; I96-Y118 HydrophobicContact CD1-CD2 4.37Å
97	R	81.8	Confident	70.3	Confident	37 Å²	37	95.6 Å²	95.6	14%	0.14	51%	0.508	C	S	.	.	H	α-helix	trans	-61.9	-43.3	177.5	-65.8	174.5	172	-146.1	10.2	112.4	I93 K94 E95 S99 G100 S101 E110 E112 D115	I93-R97 HydrophobicContact CG2-CG 4.41Å; I93-R97 VanDerWaalsContact O-CG 3.3Å; I93-R97 WeakPolarHBondContact O-CG 3.38Å; I93-R97 PolarHBondContact O-N 2.95Å; K94-R97 PolarHBondContact O-N 3.49Å; E95-R97 VanDerWaalsContact C-N 3.33Å; E95-R97 PolarHBondContact O-N 3.34Å; R97-S99 VanDerWaalsContact C-N 3.27Å; R97-S99 PolarHBondContact O-N 3.03Å; R97-G100 PolarHBondContact O-N 3.03Å; R97-S101 PolarHBondContact O-N 3.27Å; R97-E110 PolarHBondContact NH1-O 3.14Å; R97-E110 PolarHBondContact NH2-O 3.45Å; R97-E112 WeakPolarHBondContact CD-OE1 3.27Å; R97-E112 WeakPolarHBondContact CG-OE2 3.41Å; R97-E112 IonicContact CZ-OE1 3.59Å; R97-E112 IonicContact NE-OE1 3.75Å; R97-E112 PolarHBondContact NE-OE1 3.25Å; R97-E112 IonicContact NH1-OE1 2.7Å; R97-E112 PolarHBondContact NH1-OE1 3.25Å; R97-D115 IonicContact CZ-OD1 3.41Å; R97-D115 IonicContact CZ-OD2 3.63Å; R97-D115 IonicContact NE-OD1 3.45Å; R97-D115 PolarHBondContact NE-OD1 3.02Å; R97-D115 IonicContact NE-OD2 3.78Å; R97-D115 IonicContact NH2-OD1 2.89Å; R97-D115 PolarHBondContact NH2-OD1 3.47Å; R97-D115 IonicContact NH2-OD2 2.79Å; R97-D115 PolarHBondContact NH2-OD2 3.21Å
98	R	76.9	Confident	69.7	Low	200 Å²	200	96 Å²	96	76%	0.755	52%	0.517	S	S	*	.	H	α-helix	trans	-62.2	-32	175.6	-76	171.8	179.3	177.7	0.9	113.3	K94 E95 I96 G100	K94-R98 WeakPolarHBondContact O-CB 3.39Å; K94-R98 VanDerWaalsContact O-CG 3.25Å; K94-R98 WeakPolarHBondContact O-CG 3.48Å; K94-R98 PolarHBondContact O-N 3.1Å; E95-R98 PolarHBondContact O-N 2.71Å; I96-R98 PolarHBondContact O-N 2.77Å; R98-G100 VanDerWaalsContact C-N 3.35Å
99	S	72	Confident	69	Low	101 Å²	101	96.1 Å²	96.1	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-75	-23.8	178.8	75.8	0	0	0	0	113.5	E95 I96 R97	E95-S99 PolarHBondContact O-N 3.46Å; I96-S99 PolarHBondContact O-N 2.9Å; I96-S99 PolarHBondContact O-OG 2.96Å; R97-S99 VanDerWaalsContact C-N 3.27Å; R97-S99 PolarHBondContact O-N 3.03Å
100	G	64.8	Low	68.6	Low	71 Å²	71	101.6 Å²	101.6	73%	0.732	54%	0.543	S	S	*	.	H	α-helix	trans	-102.3	-14.5	-175.8	0	0	0	0	0	115.9	I96 R97 R98	I96-G100 PolarHBondContact O-N 2.81Å; R97-G100 PolarHBondContact O-N 3.03Å; R98-G100 VanDerWaalsContact C-N 3.35Å
101	S	60.7	Low	68.8	Low	70 Å²	70	102.8 Å²	102.8	49%	0.49	55%	0.547	S	S	.	.	S	Bend	trans	-116.6	136.9	-174.8	-175	0	0	0	0	113	R97 K103	R97-S101 PolarHBondContact O-N 3.27Å; S101-K103 PolarHBondContact O-N 3.26Å
102	N	53.4	Low	68.9	Low	160 Å²	160	101 Å²	101	86%	0.856	54%	0.539	S	S	*	.			trans	-67.5	95	166.2	-94.4	-24.3	0	0	0	108.8	D104	N102-D104 PolarHBondContact O-N 3Å
103	K	54.2	Low	69	Low	202 Å²	202	106.4 Å²	106.4	88%	0.878	57%	0.566	S	S	*	*	S	Bend	trans	26.3	-14.6	158.7	-89.3	-174.3	175.9	-179.3	0	124.5	S101	S101-K103 PolarHBondContact O-N 3.26Å
104	D	50.4	Low	69	Low	139 Å²	139	107.8 Å²	107.8	74%	0.743	58%	0.575	S	S	*	*			trans	-127.6	89.2	-171.8	-64.7	-36.5	0	0	0	109.6	N102	N102-D104 PolarHBondContact O-N 3Å
105	L	50.5	Low	69.2	Low	145 Å²	145	102.8 Å²	102.8	76%	0.759	55%	0.554	S	S	*	*			trans	-176	92.7	149.5	-96.1	149.3	0	0	0	108.6	S107	L105-S107 PolarHBondContact O-N 3.46Å
106	D	53.3	Low	69.5	Low	187 Å²	187	100 Å²	100	100%	1	54%	0.542	S	S	*	.			trans	-67.1	51.6	159.5	-104.6	-16.9	0	0	0	109.8
107	S	50.7	Low	69.7	Low	73 Å²	73	105.3 Å²	105.3	51%	0.51	56%	0.564	S	S	.	*			trans	-108.7	103.3	-176.3	67.2	0	0	0	0	111.3	L105	L105-S107 PolarHBondContact O-N 3.46Å
108	A	55.1	Low	70	Confident	64 Å²	64	104.1 Å²	104.1	53%	0.529	56%	0.56	S	S	.	*			trans	58.2	146.9	159.5	0	0	0	0	0	117.3	E110	A108-E110 HydrophobicContact CB-CG 3.86Å; A108-E110 PolarHBondContact O-N 3.28Å
109	S	64.8	Low	70.6	Confident	56 Å²	56	98.5 Å²	98.5	39%	0.392	54%	0.541	S	S	.	.	S	Bend	trans	-67.9	46.1	171.1	54.4	0	0	0	0	111.6	M446 L447	S109-M446 WeakPolarHBondContact CB-O 3.5Å; S109-L447 CarbonylContact C-O 3.2Å; S109-L447 WeakPolarHBondContact CB-O 3.25Å; S109-L447 CarbonylContact O-C 3.54Å; S109-L447 WeakPolarHBondContact O-CA 3.44Å; S109-L447 PolarHBondContact OG-O 2.96Å
110	E	74.1	Confident	71.4	Confident	137 Å²	137	96.2 Å²	96.2	64%	0.64	53%	0.528	S	S	*	.			trans	-90.7	159.3	-177.7	-70.2	-174.3	-176.4	0	0	111.6	R97 A108 E112	R97-E110 PolarHBondContact NH1-O 3.14Å; R97-E110 PolarHBondContact NH2-O 3.45Å; A108-E110 HydrophobicContact CB-CG 3.86Å; A108-E110 PolarHBondContact O-N 3.28Å; E110-E112 PolarHBondContact O-N 3.17Å
111	F	82.8	Confident	72.5	Confident	111 Å²	111	99.4 Å²	99.4	49%	0.487	52%	0.518	S	S	.	.			trans	-66.4	128.5	176	168.9	-97.5	0	0	0	109.8	D115 I116 Y443 L447	F111-D115 HydrophobicContact CE2-CB 4.39Å; F111-I116 HydrophobicContact CZ-CD1 4.21Å; F111-I116 HydrophobicContact CZ-CG1 4.12Å; F111-Y443 WeakPolarHBondContact CD2-OH 3.41Å; F111-Y443 WeakPolarHBondContact CE2-OH 3.32Å; F111-L447 HydrophobicContact CB-CD2 4.35Å
112	E	84.6	Confident	73.8	Confident	73 Å²	73	99.7 Å²	99.7	34%	0.341	51%	0.509	S	S	.	.			trans	-108.6	140.3	169.4	-72.2	-178.6	-135.1	0	0	110.2	R97 E110 S114 D115	R97-E112 WeakPolarHBondContact CD-OE1 3.27Å; R97-E112 WeakPolarHBondContact CG-OE2 3.41Å; R97-E112 IonicContact CZ-OE1 3.59Å; R97-E112 IonicContact NE-OE1 3.75Å; R97-E112 PolarHBondContact NE-OE1 3.25Å; R97-E112 IonicContact NH1-OE1 2.7Å; R97-E112 PolarHBondContact NH1-OE1 3.25Å; E110-E112 PolarHBondContact O-N 3.17Å; E112-S114 WeakPolarHBondContact CB-OG 3.43Å; E112-S114 PolarHBondContact O-N 3.5Å; E112-S114 VanDerWaalsContact O-N 3.08Å; E112-S114 PolarHBondContact OE2-OG 3.37Å; E112-D115 PolarHBondContact N-OD2 2.93Å; E112-D115 VanDerWaalsContact N-OD2 3.1Å; E112-D115 WeakPolarHBondContact O-CB 3.26Å; E112-D115 PolarHBondContact O-N 3.4Å
113	M	85	Confident	75.4	Confident	135 Å²	135	93.7 Å²	93.7	67%	0.665	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27	177.2	-169.5	67.7	-174.8	0	0	112.1	D115 I116	M113-D115 PolarHBondContact O-N 2.9Å; M113-I116 HydrophobicContact CE-CD1 3.48Å; M113-I116 VanDerWaalsContact CE-CD1 3.48Å; M113-I116 HydrophobicContact CG-CD1 4.48Å; M113-I116 WeakPolarHBondContact O-CB 3.33Å; M113-I116 PolarHBondContact O-N 2.83Å; M113-I116 HydrophobicContact SD-CD1 3.47Å; M113-I116 WeakPolarHBondContact SD-CD1 3.48Å
114	S	85.4	Confident	77	Confident	28 Å²	28	88 Å²	88	20%	0.196	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.3	175.5	57.2	0	0	0	0	113	E112 I116 F117	E112-S114 WeakPolarHBondContact CB-OG 3.43Å; E112-S114 PolarHBondContact O-N 3.5Å; E112-S114 VanDerWaalsContact O-N 3.08Å; E112-S114 PolarHBondContact OE2-OG 3.37Å; S114-I116 PolarHBondContact O-N 3.32Å; S114-I116 VanDerWaalsContact O-N 3.15Å; S114-F117 WeakPolarHBondContact O-CB 3.38Å; S114-F117 PolarHBondContact O-N 3.35Å
115	D	87.3	Confident	78.6	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-61	-26	178.4	-60.4	-20.4	0	0	0	112	I93 R97 F111 E112 M113 F117 Y118 F119 Y443	I93-D115 WeakPolarHBondContact CG2-OD1 3.3Å; R97-D115 IonicContact CZ-OD1 3.41Å; R97-D115 IonicContact CZ-OD2 3.63Å; R97-D115 IonicContact NE-OD1 3.45Å; R97-D115 PolarHBondContact NE-OD1 3.02Å; R97-D115 IonicContact NE-OD2 3.78Å; R97-D115 IonicContact NH2-OD1 2.89Å; R97-D115 PolarHBondContact NH2-OD1 3.47Å; R97-D115 IonicContact NH2-OD2 2.79Å; R97-D115 PolarHBondContact NH2-OD2 3.21Å; F111-D115 HydrophobicContact CE2-CB 4.39Å; E112-D115 PolarHBondContact N-OD2 2.93Å; E112-D115 VanDerWaalsContact N-OD2 3.1Å; E112-D115 WeakPolarHBondContact O-CB 3.26Å; E112-D115 PolarHBondContact O-N 3.4Å; M113-D115 PolarHBondContact O-N 2.9Å; D115-F117 PolarHBondContact O-N 3.39Å; D115-Y118 WeakPolarHBondContact O-CB 3.22Å; D115-Y118 PolarHBondContact O-N 3.19Å; D115-F119 VanDerWaalsContact O-CD2 3.27Å; D115-F119 WeakPolarHBondContact O-CD2 3.45Å; D115-Y443 HydrophobicContact CB-CE2 4.23Å; D115-Y443 VanDerWaalsContact CB-OH 3.23Å; D115-Y443 WeakPolarHBondContact CB-OH 3.49Å; D115-Y443 PolarHBondContact OD2-OH 2.8Å
116	I	88.6	Confident	80.1	Confident	77 Å²	77	78.2 Å²	78.2	40%	0.395	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-34.1	176.5	-62	176.1	0	0	0	111.2	F111 M113 S114 Y118 F119 A120	F111-I116 HydrophobicContact CZ-CD1 4.21Å; F111-I116 HydrophobicContact CZ-CG1 4.12Å; M113-I116 HydrophobicContact CE-CD1 3.48Å; M113-I116 VanDerWaalsContact CE-CD1 3.48Å; M113-I116 HydrophobicContact CG-CD1 4.48Å; M113-I116 WeakPolarHBondContact O-CB 3.33Å; M113-I116 PolarHBondContact O-N 2.83Å; M113-I116 HydrophobicContact SD-CD1 3.47Å; M113-I116 WeakPolarHBondContact SD-CD1 3.48Å; S114-I116 PolarHBondContact O-N 3.32Å; S114-I116 VanDerWaalsContact O-N 3.15Å; I116-Y118 VanDerWaalsContact C-N 3.28Å; I116-Y118 PolarHBondContact O-N 3.06Å; I116-F119 PolarHBondContact O-N 3.38Å; I116-A120 WeakPolarHBondContact O-CB 3.31Å; I116-A120 PolarHBondContact O-N 3.29Å
117	F	87.7	Confident	81.6	Confident	146 Å²	146	75.7 Å²	75.7	64%	0.64	41%	0.405	S	S	*	.	H	α-helix	trans	-65.6	-33	179.8	-69.3	-69.1	0	0	0	112.2	S114 D115 R121	S114-F117 WeakPolarHBondContact O-CB 3.38Å; S114-F117 PolarHBondContact O-N 3.35Å; D115-F117 PolarHBondContact O-N 3.39Å; F117-R121 WeakPolarHBondContact O-CB 3.32Å; F117-R121 PolarHBondContact O-N 3.23Å
118	Y	87.6	Confident	82.9	Confident	12 Å²	12	75.8 Å²	75.8	5%	0.047	40%	0.399	C	S	.	.	H	α-helix	trans	-57.8	-56.2	170.5	171	-98.9	0	0	0	110	L89 E92 I93 I96 D115 I116 A120 R121 R122	L89-Y118 HydrophobicContact CD1-CE1 3.71Å; L89-Y118 HydrophobicContact CG-CE1 3.87Å; E92-Y118 HydrophobicContact CB-CD2 3.87Å; E92-Y118 HydrophobicContact CB-CE2 3.75Å; E92-Y118 HydrophobicContact CG-CE2 4.4Å; E92-Y118 VanDerWaalsContact OE2-CE2 3.24Å; E92-Y118 WeakPolarHBondContact OE2-CE2 3.36Å; I93-Y118 HydrophobicContact CD1-CD1 3.92Å; I93-Y118 HydrophobicContact CD1-CE1 4.29Å; I93-Y118 HydrophobicContact CD1-CG 4.18Å; I93-Y118 HydrophobicContact CG1-CD1 3.97Å; I93-Y118 HydrophobicContact CG1-CD2 4.02Å; I93-Y118 HydrophobicContact CG1-CG 3.7Å; I96-Y118 HydrophobicContact CD1-CD2 4.37Å; D115-Y118 WeakPolarHBondContact O-CB 3.22Å; D115-Y118 PolarHBondContact O-N 3.19Å; I116-Y118 VanDerWaalsContact C-N 3.28Å; I116-Y118 PolarHBondContact O-N 3.06Å; Y118-A120 VanDerWaalsContact C-N 3.35Å; Y118-A120 PolarHBondContact O-N 2.83Å; Y118-R121 WeakPolarHBondContact O-CB 3.45Å; Y118-R121 PolarHBondContact O-N 3.42Å; Y118-R122 HydrophobicContact CD1-CG 4.23Å; Y118-R122 HydrophobicContact CD2-CG 4.11Å; Y118-R122 HydrophobicContact CE1-CG 3.88Å; Y118-R122 HydrophobicContact CE2-CG 3.75Å; Y118-R122 HydrophobicContact CG-CG 4.34Å; Y118-R122 VanDerWaalsContact O-CG 3.26Å; Y118-R122 WeakPolarHBondContact O-CG 3.36Å; Y118-R122 PolarHBondContact O-N 3.31Å
119	F	89.4	Confident	84	Confident	82 Å²	82	74 Å²	74	36%	0.36	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-37.5	-177.5	-64	-69.4	0	0	0	113.2	D115 I116 R122 G123 Y443	D115-F119 VanDerWaalsContact O-CD2 3.27Å; D115-F119 WeakPolarHBondContact O-CD2 3.45Å; I116-F119 PolarHBondContact O-N 3.38Å; F119-R122 PolarHBondContact O-N 3.01Å; F119-G123 PolarHBondContact O-N 3.08Å; F119-Y443 HydrophobicContact CE2-CD1 4.5Å; F119-Y443 AromaticContact CE2-CD2 3.96Å; F119-Y443 HydrophobicContact CE2-CD2 3.96Å; F119-Y443 HydrophobicContact CE2-CE1 4.3Å; F119-Y443 AromaticContact CE2-CE2 3.72Å; F119-Y443 HydrophobicContact CE2-CE2 3.72Å; F119-Y443 HydrophobicContact CE2-CG 4.31Å; F119-Y443 AromaticContact CE2-CZ 3.89Å; F119-Y443 HydrophobicContact CZ-CD1 4.25Å; F119-Y443 AromaticContact CZ-CD2 3.58Å; F119-Y443 HydrophobicContact CZ-CD2 3.58Å; F119-Y443 HydrophobicContact CZ-CE1 4.5Å; F119-Y443 AromaticContact CZ-CE2 3.86Å; F119-Y443 HydrophobicContact CZ-CE2 3.86Å; F119-Y443 AromaticContact CZ-CG 3.77Å; F119-Y443 HydrophobicContact CZ-CG 3.77Å
120	A	90.1	Very high	84.9	Confident	53 Å²	53	72.8 Å²	72.8	44%	0.438	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-47.5	174.6	0	0	0	0	0	111	I116 Y118 G123 V124	I116-A120 WeakPolarHBondContact O-CB 3.31Å; I116-A120 PolarHBondContact O-N 3.29Å; Y118-A120 VanDerWaalsContact C-N 3.35Å; Y118-A120 PolarHBondContact O-N 2.83Å; A120-G123 PolarHBondContact O-N 3.03Å; A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 2.6Å
121	R	87.9	Confident	85.2	Confident	137 Å²	137	70.2 Å²	70.2	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-52.5	174.5	176.6	-179.4	171.7	177.7	-4.3	110.9	F117 Y118 G123 V124 E125	F117-R121 WeakPolarHBondContact O-CB 3.32Å; F117-R121 PolarHBondContact O-N 3.23Å; Y118-R121 WeakPolarHBondContact O-CB 3.45Å; Y118-R121 PolarHBondContact O-N 3.42Å; R121-G123 PolarHBondContact O-N 2.91Å; R121-V124 PolarHBondContact O-N 2.84Å; R121-V124 VanDerWaalsContact O-N 3.09Å; R121-E125 HydrophobicContact CG-CG 4.22Å; R121-E125 WeakPolarHBondContact CG-OE1 3.49Å; R121-E125 IonicContact CZ-OE1 3.45Å; R121-E125 IonicContact NE-OE1 2.8Å; R121-E125 PolarHBondContact NE-OE1 2.92Å; R121-E125 IonicContact NH2-OE1 3.31Å; R121-E125 PolarHBondContact NH2-OE1 3.15Å; R121-E125 WeakPolarHBondContact O-CB 3.31Å; R121-E125 VanDerWaalsContact O-CG 3.29Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.49Å
122	R	86.3	Confident	85.3	Confident	77 Å²	77	66 Å²	66	29%	0.291	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-36.7	177.9	-65.7	-58	-66.6	176	-20.7	112.6	Y118 F119 E125 S126	Y118-R122 HydrophobicContact CD1-CG 4.23Å; Y118-R122 HydrophobicContact CD2-CG 4.11Å; Y118-R122 HydrophobicContact CE1-CG 3.88Å; Y118-R122 HydrophobicContact CE2-CG 3.75Å; Y118-R122 HydrophobicContact CG-CG 4.34Å; Y118-R122 VanDerWaalsContact O-CG 3.26Å; Y118-R122 WeakPolarHBondContact O-CG 3.36Å; Y118-R122 PolarHBondContact O-N 3.31Å; F119-R122 PolarHBondContact O-N 3.01Å; R122-E125 WeakPolarHBondContact CD-OE2 3.26Å; R122-E125 IonicContact CZ-OE2 3.79Å; R122-E125 IonicContact NE-OE2 3.52Å; R122-E125 IonicContact NH1-OE2 2.91Å; R122-E125 PolarHBondContact NH1-OE2 2.9Å; R122-S126 WeakPolarHBondContact O-CB 3.44Å; R122-S126 PolarHBondContact O-N 2.86Å; R122-S126 PolarHBondContact O-OG 2.9Å
123	G	87.8	Confident	85.4	Confident	34 Å²	34	66.8 Å²	66.8	35%	0.351	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-48.9	173.9	0	0	0	0	0	112.3	F119 A120 R121 S126 I127	F119-G123 PolarHBondContact O-N 3.08Å; A120-G123 PolarHBondContact O-N 3.03Å; R121-G123 PolarHBondContact O-N 2.91Å; G123-S126 PolarHBondContact O-N 3.43Å; G123-I127 WeakPolarHBondContact O-CG1 3.26Å; G123-I127 PolarHBondContact O-N 3.12Å; G123-I127 VanDerWaalsContact O-N 3.14Å
124	V	87.3	Confident	85.4	Confident	83 Å²	83	65.3 Å²	65.3	50%	0.503	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-45.4	176.3	174.6	0	0	0	0	111.3	A120 R121 S126 I127 M128	A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 2.6Å; R121-V124 PolarHBondContact O-N 2.84Å; R121-V124 VanDerWaalsContact O-N 3.09Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 2.79Å; V124-I127 WeakPolarHBondContact O-CB 3.35Å; V124-I127 PolarHBondContact O-N 3.27Å; V124-I127 VanDerWaalsContact O-N 3.1Å; V124-M128 HydrophobicContact CG1-CG 4.35Å; V124-M128 HydrophobicContact CG1-SD 3.95Å; V124-M128 WeakPolarHBondContact O-CG 3.46Å; V124-M128 PolarHBondContact O-N 2.86Å
125	E	84.1	Confident	85.6	Confident	10 Å²	10	65.3 Å²	65.3	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-57.6	-42.8	176	-71.6	178.4	170.9	0	0	111.6	I82 R121 R122 I127 M128 D129	I82-E125 HydrophobicContact CD1-CB 4.35Å; I82-E125 HydrophobicContact CD1-CG 3.72Å; R121-E125 HydrophobicContact CG-CG 4.22Å; R121-E125 WeakPolarHBondContact CG-OE1 3.49Å; R121-E125 IonicContact CZ-OE1 3.45Å; R121-E125 IonicContact NE-OE1 2.8Å; R121-E125 PolarHBondContact NE-OE1 2.92Å; R121-E125 IonicContact NH2-OE1 3.31Å; R121-E125 PolarHBondContact NH2-OE1 3.15Å; R121-E125 WeakPolarHBondContact O-CB 3.31Å; R121-E125 VanDerWaalsContact O-CG 3.29Å; R121-E125 WeakPolarHBondContact O-CG 3.49Å; R121-E125 PolarHBondContact O-N 3.49Å; R122-E125 WeakPolarHBondContact CD-OE2 3.26Å; R122-E125 IonicContact CZ-OE2 3.79Å; R122-E125 IonicContact NE-OE2 3.52Å; R122-E125 IonicContact NH1-OE2 2.91Å; R122-E125 PolarHBondContact NH1-OE2 2.9Å; E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 PolarHBondContact O-N 3.36Å; E125-M128 PolarHBondContact O-N 2.96Å; E125-D129 WeakPolarHBondContact O-CB 3.36Å; E125-D129 PolarHBondContact O-N 2.97Å
126	S	82.3	Confident	85.7	Confident	68 Å²	68	66 Å²	66	48%	0.476	34%	0.339	S	S	.	.	H	α-helix	trans	-66.3	-30	177.9	-60.1	0	0	0	0	113	R122 G123 V124 D130	R122-S126 WeakPolarHBondContact O-CB 3.44Å; R122-S126 PolarHBondContact O-N 2.86Å; R122-S126 PolarHBondContact O-OG 2.9Å; G123-S126 PolarHBondContact O-N 3.43Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 2.79Å; S126-D130 WeakPolarHBondContact O-CA 3.3Å; S126-D130 PolarHBondContact O-N 3.12Å
127	I	84.1	Confident	85.6	Confident	133 Å²	133	64.9 Å²	64.9	68%	0.682	34%	0.338	S	S	*	.	H	α-helix	trans	-74.1	-45.1	174	-67	165.4	0	0	0	110.2	G123 V124 E125 D130	G123-I127 WeakPolarHBondContact O-CG1 3.26Å; G123-I127 PolarHBondContact O-N 3.12Å; G123-I127 VanDerWaalsContact O-N 3.14Å; V124-I127 WeakPolarHBondContact O-CB 3.35Å; V124-I127 PolarHBondContact O-N 3.27Å; V124-I127 VanDerWaalsContact O-N 3.1Å; E125-I127 VanDerWaalsContact C-N 3.29Å; E125-I127 PolarHBondContact O-N 3.36Å; I127-D130 PolarHBondContact O-N 3.13Å
128	M	79.8	Confident	85.4	Confident	76 Å²	76	60 Å²	60	37%	0.374	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-49.4	-179.9	-71.9	-178.6	59.6	0	0	111.4	I81 I82 V124 E125 D130 K134	I81-M128 HydrophobicContact CB-CE 4.36Å; I81-M128 HydrophobicContact CD1-CE 4.26Å; I81-M128 HydrophobicContact CG2-CE 3.95Å; I82-M128 HydrophobicContact CD1-CE 4.1Å; I82-M128 HydrophobicContact CD1-SD 4.19Å; I82-M128 HydrophobicContact CG1-CE 4.4Å; V124-M128 HydrophobicContact CG1-CG 4.35Å; V124-M128 HydrophobicContact CG1-SD 3.95Å; V124-M128 WeakPolarHBondContact O-CG 3.46Å; V124-M128 PolarHBondContact O-N 2.86Å; E125-M128 PolarHBondContact O-N 2.96Å; M128-D130 VanDerWaalsContact C-N 3.3Å; M128-D130 PolarHBondContact O-N 3.05Å; M128-K134 PolarHBondContact O-NZ 2.83Å
129	D	77.4	Confident	85.1	Confident	25 Å²	25	62.4 Å²	62.4	13%	0.134	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	40.2	178.6	-63.3	-30.8	0	0	0	111.8	R84 E125 E131	R84-D129 IonicContact CZ-OD2 3.57Å; R84-D129 IonicContact NE-OD2 3.71Å; R84-D129 PolarHBondContact NE-OD2 3.12Å; R84-D129 IonicContact NH2-OD2 3.86Å; R84-D129 PolarHBondContact NH2-OD2 3.19Å; R84-D129 VanDerWaalsContact NH2-OD2 3.11Å; E125-D129 WeakPolarHBondContact O-CB 3.36Å; E125-D129 PolarHBondContact O-N 2.97Å; D129-E131 PolarHBondContact O-N 2.87Å
130	D	83.4	Confident	84.6	Confident	31 Å²	31	62.9 Å²	62.9	17%	0.166	34%	0.34	C	S	.	.			trans	-62.9	104	178.1	169.2	34.5	0	0	0	111.3	S126 I127 M128 V132 T133 K134	S126-D130 WeakPolarHBondContact O-CA 3.3Å; S126-D130 PolarHBondContact O-N 3.12Å; I127-D130 PolarHBondContact O-N 3.13Å; M128-D130 VanDerWaalsContact C-N 3.3Å; M128-D130 PolarHBondContact O-N 3.05Å; D130-V132 PolarHBondContact OD1-N 3.5Å; D130-T133 PolarHBondContact OD1-N 3.01Å; D130-T133 WeakPolarHBondContact OD2-CA 3.31Å; D130-T133 WeakPolarHBondContact OD2-CB 3.28Å; D130-T133 PolarHBondContact OD2-N 3.5Å; D130-T133 PolarHBondContact OD2-OG1 2.93Å; D130-K134 VanDerWaalsContact O-CD 3.23Å; D130-K134 WeakPolarHBondContact O-CD 3.49Å; D130-K134 WeakPolarHBondContact O-CG 3.45Å; D130-K134 PolarHBondContact OD2-N 3.47Å; D130-K134 VanDerWaalsContact OD2-N 3.12Å
131	E	80.4	Confident	84	Confident	83 Å²	83	61.7 Å²	61.7	39%	0.388	33%	0.326	S	S	.	.	S	Bend	trans	-82.4	-15.7	179.7	-70.8	177.8	178.6	0	0	113.2	D129 R135	D129-E131 PolarHBondContact O-N 2.87Å; E131-R135 WeakPolarHBondContact O-CG 3.28Å; E131-R135 PolarHBondContact O-NE 2.88Å
132	V	85.4	Confident	83.2	Confident	22 Å²	22	62.9 Å²	62.9	13%	0.133	34%	0.337	C	S	.	.	S	Bend	trans	-107	-58.9	-166.6	-179.9	0	0	0	0	111.2	D130 K134 R135 F136 W422 L426	D130-V132 PolarHBondContact OD1-N 3.5Å; V132-K134 VanDerWaalsContact C-N 3.33Å; V132-K134 PolarHBondContact O-N 2.83Å; V132-R135 WeakPolarHBondContact O-CB 3.43Å; V132-R135 PolarHBondContact O-N 3.23Å; V132-F136 HydrophobicContact CG1-CE2 3.87Å; V132-F136 WeakPolarHBondContact O-CD2 3.3Å; V132-W422 HydrophobicContact CG2-CB 4.01Å; V132-W422 VanDerWaalsContact CG2-CD1 3.45Å; V132-W422 HydrophobicContact CG2-CD2 3.88Å; V132-W422 HydrophobicContact CG2-CG 3.51Å; V132-L426 HydrophobicContact CG1-CB 4.08Å; V132-L426 HydrophobicContact CG1-CD1 4.28Å
133	T	85.3	Confident	82.7	Confident	91 Å²	91	60.3 Å²	60.3	56%	0.558	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-71.4	-32	-169.9	90.9	0	0	0	0	112.2	D130 R135 F136	D130-T133 PolarHBondContact OD1-N 3.01Å; D130-T133 WeakPolarHBondContact OD2-CA 3.31Å; D130-T133 WeakPolarHBondContact OD2-CB 3.28Å; D130-T133 PolarHBondContact OD2-N 3.5Å; D130-T133 PolarHBondContact OD2-OG1 2.93Å; T133-R135 PolarHBondContact O-N 3.15Å; T133-R135 VanDerWaalsContact O-N 3.15Å; T133-F136 PolarHBondContact O-N 3.26Å
134	K	86.4	Confident	82.4	Confident	103 Å²	103	58.8 Å²	58.8	45%	0.448	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-54.6	-30.4	170.1	-66.6	-177.3	-167.1	159.1	0	112.6	M128 D130 V132 F136 S137 N328	M128-K134 PolarHBondContact O-NZ 2.83Å; D130-K134 VanDerWaalsContact O-CD 3.23Å; D130-K134 WeakPolarHBondContact O-CD 3.49Å; D130-K134 WeakPolarHBondContact O-CG 3.45Å; D130-K134 PolarHBondContact OD2-N 3.47Å; D130-K134 VanDerWaalsContact OD2-N 3.12Å; V132-K134 VanDerWaalsContact C-N 3.33Å; V132-K134 PolarHBondContact O-N 2.83Å; K134-F136 PolarHBondContact O-N 2.85Å; K134-S137 PolarHBondContact O-N 3.49Å; K134-N328 PolarHBondContact O-ND2 3.34Å
135	R	89.5	Confident	82.4	Confident	29 Å²	29	55 Å²	55	11%	0.109	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-74.4	-11.2	179.2	-48.2	-57.3	173	-179.2	-6.1	113.8	E131 V132 T133 N328 T330 S331 M333 L420	E131-R135 WeakPolarHBondContact O-CG 3.28Å; E131-R135 PolarHBondContact O-NE 2.88Å; V132-R135 WeakPolarHBondContact O-CB 3.43Å; V132-R135 PolarHBondContact O-N 3.23Å; T133-R135 PolarHBondContact O-N 3.15Å; T133-R135 VanDerWaalsContact O-N 3.15Å; R135-N328 WeakPolarHBondContact CA-ND2 3.33Å; R135-N328 WeakPolarHBondContact CA-OD1 3.2Å; R135-N328 WeakPolarHBondContact O-CB 3.47Å; R135-N328 VanDerWaalsContact O-CG 3.26Å; R135-N328 PolarHBondContact O-N 3.38Å; R135-N328 PolarHBondContact O-OD1 3.39Å; R135-T330 WeakPolarHBondContact CD-OG1 3.17Å; R135-T330 PolarHBondContact NH1-OG1 3.28Å; R135-S331 WeakPolarHBondContact CD-OG 3.45Å; R135-M333 HydrophobicContact CB-CE 3.31Å; R135-M333 HydrophobicContact CG-CE 3.52Å; R135-L420 HydrophobicContact CG-CD1 3.88Å
136	F	89.3	Confident	82.5	Confident	14 Å²	14	54.5 Å²	54.5	6%	0.061	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-103.7	14.7	174.3	-54.2	-66.5	0	0	0	113.1	V132 T133 K134 T325 I327 M333 F361 N363 G424 K427	V132-F136 HydrophobicContact CG1-CE2 3.87Å; V132-F136 WeakPolarHBondContact O-CD2 3.3Å; T133-F136 PolarHBondContact O-N 3.26Å; K134-F136 PolarHBondContact O-N 2.85Å; F136-T325 HydrophobicContact CE1-CG2 4.13Å; F136-I327 HydrophobicContact CD1-CG2 4.25Å; F136-I327 HydrophobicContact CE1-CG2 3.74Å; F136-M333 HydrophobicContact CZ-CE 4.21Å; F136-F361 VanDerWaalsContact C-CE1 3.41Å; F136-F361 WeakPolarHBondContact O-CE1 3.3Å; F136-F361 VanDerWaalsContact O-CZ 3.31Å; F136-F361 WeakPolarHBondContact O-CZ 3.22Å; F136-N363 PolarHBondContact O-ND2 2.93Å; F136-G424 WeakPolarHBondContact CZ-O 3.16Å; F136-K427 HydrophobicContact CB-CG 4.26Å; F136-K427 HydrophobicContact CD1-CB 3.86Å; F136-K427 HydrophobicContact CD1-CD 3.62Å; F136-K427 HydrophobicContact CD1-CG 3.74Å; F136-K427 HydrophobicContact CD2-CB 4.06Å; F136-K427 HydrophobicContact CD2-CG 4.22Å; F136-K427 HydrophobicContact CE1-CB 3.67Å; F136-K427 HydrophobicContact CE1-CD 4.01Å; F136-K427 HydrophobicContact CE1-CG 4.08Å; F136-K427 HydrophobicContact CE2-CB 3.9Å; F136-K427 HydrophobicContact CG-CB 4.04Å; F136-K427 HydrophobicContact CG-CD 4.14Å; F136-K427 HydrophobicContact CG-CG 3.81Å; F136-K427 HydrophobicContact CZ-CB 3.71Å; F136-K427 HydrophobicContact CZ-CG 4.48Å
137	S	86.5	Confident	82.7	Confident	54 Å²	54	51.5 Å²	51.5	38%	0.378	27%	0.268	S	S	.	.	S	Bend	trans	-117.1	154.4	173.1	-68.7	0	0	0	0	110.7	K134 N328	K134-S137 PolarHBondContact O-N 3.49Å; S137-N328 WeakPolarHBondContact O-CB 3.32Å; S137-N328 PolarHBondContact O-ND2 2.94Å
138	A	83.3	Confident	82.7	Confident	44 Å²	44	49.2 Å²	49.2	36%	0.364	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-57.1	141.7	176.2	0	0	0	0	0	110.2	E140 D359	A138-E140 PolarHBondContact O-N 3.42Å; A138-D359 WeakPolarHBondContact CB-OD2 3.47Å
139	E	80.6	Confident	82.9	Confident	62 Å²	62	49.1 Å²	49.1	29%	0.29	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-62.9	131.6	176.7	-176.2	173.2	-178.8	0	0	110.2	T330	E139-T330 HydrophobicContact CB-CG2 4.13Å; E139-T330 VanDerWaalsContact CD-CG2 3.46Å; E139-T330 HydrophobicContact CG-CG2 3.77Å
140	E	78.8	Confident	82.9	Confident	91 Å²	91	49.1 Å²	49.1	43%	0.425	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-75.9	126.2	175.7	-60.8	-166.5	160	0	0	109.5	A138	A138-E140 PolarHBondContact O-N 3.42Å
141	L	78.9	Confident	82.3	Confident	28 Å²	28	49.7 Å²	49.7	15%	0.147	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-88.1	137	-179.6	-64.9	177	0	0	0	110.7	S143 N145 P355	L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 WeakPolarHBondContact CB-O 3.48Å; L141-N145 HydrophobicContact CD1-CB 4.43Å; L141-N145 WeakPolarHBondContact CD1-ND2 3.49Å; L141-P355 HydrophobicContact CD2-CB 3.66Å; L141-P355 HydrophobicContact CD2-CG 3.59Å
142	E	71.2	Confident	81.5	Confident	162 Å²	162	50 Å²	50	76%	0.757	27%	0.265	S	S	*	.	S	Bend	trans	-66.3	-34.6	168.1	-64.1	-176.5	167.1	0	0	111.9	P76	P76-E142 HydrophobicContact CG-CG 4.2Å
143	S	75.7	Confident	80.3	Confident	23 Å²	23	52.5 Å²	52.5	16%	0.161	28%	0.277	C	S	.	.	S	Bend	trans	-111.9	136.7	-177.5	64.4	0	0	0	0	112	T59 L141 N145	T59-S143 WeakPolarHBondContact OG1-CA 3.36Å; T59-S143 VanDerWaalsContact OG1-CB 3.22Å; T59-S143 WeakPolarHBondContact OG1-CB 3.21Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 WeakPolarHBondContact CB-O 3.48Å; S143-N145 PolarHBondContact O-N 3.13Å
144	W	81.1	Confident	79.3	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.011	26%	0.258	C	S	.	.			trans	-74.6	123.4	174.5	-168.6	36.3	0	0	0	111.5	T59 I62 L146 L147 F154 I157 W165	T59-W144 PolarHBondContact OG1-N 3.09Å; I62-W144 HydrophobicContact CD1-CB 4.07Å; I62-W144 HydrophobicContact CD1-CD2 4.43Å; I62-W144 HydrophobicContact CD1-CE3 3.75Å; W144-L146 VanDerWaalsContact C-N 3.32Å; W144-L146 HydrophobicContact CD2-CD2 4.27Å; W144-L146 HydrophobicContact CE3-CD2 3.67Å; W144-L146 HydrophobicContact CH2-CD2 4.14Å; W144-L146 HydrophobicContact CZ3-CD2 3.61Å; W144-L146 PolarHBondContact O-N 2.96Å; W144-L147 PolarHBondContact NE1-O 3.36Å; W144-F154 HydrophobicContact CB-CD2 3.76Å; W144-F154 HydrophobicContact CB-CE2 3.45Å; W144-F154 VanDerWaalsContact CB-CE2 3.45Å; W144-F154 HydrophobicContact CB-CZ 4.01Å; W144-F154 HydrophobicContact CD2-CD2 4.4Å; W144-F154 AromaticContact CG-CD2 3.81Å; W144-F154 HydrophobicContact CG-CD2 3.81Å; W144-F154 AromaticContact CG-CE2 3.91Å; W144-F154 HydrophobicContact CG-CE2 3.91Å; W144-I157 HydrophobicContact CH2-CD1 4.05Å; W144-I157 HydrophobicContact CZ3-CG2 4.36Å; W144-W165 HydrophobicContact CH2-CB 4.32Å; W144-W165 AromaticContact CH2-CD1 3.8Å; W144-W165 HydrophobicContact CH2-CG 4.23Å; W144-W165 AromaticContact CZ2-CD1 3.78Å
145	N	87	Confident	78.1	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.011	27%	0.27	C	S	.	.			trans	-93.3	22.8	176.6	65.5	4.6	0	0	0	113.8	F55 L141 S143 L147 S150 R356 W380	F55-N145 HydrophobicContact CD1-CB 4.22Å; F55-N145 HydrophobicContact CD2-CB 4.19Å; F55-N145 HydrophobicContact CE1-CB 4.11Å; F55-N145 WeakPolarHBondContact CE1-O 3.43Å; F55-N145 HydrophobicContact CE2-CB 4.07Å; F55-N145 HydrophobicContact CG-CB 4.28Å; F55-N145 HydrophobicContact CZ-CB 4.04Å; L141-N145 HydrophobicContact CD1-CB 4.43Å; L141-N145 WeakPolarHBondContact CD1-ND2 3.49Å; S143-N145 PolarHBondContact O-N 3.13Å; N145-L147 PolarHBondContact O-N 3.48Å; N145-L147 WeakPolarHBondContact OD1-CB 3.29Å; N145-L147 WeakPolarHBondContact OD1-CG 3.39Å; N145-L147 PolarHBondContact OD1-N 2.61Å; N145-S150 PolarHBondContact OD1-OG 3.25Å; N145-R356 WeakPolarHBondContact CB-O 3.38Å; N145-R356 PolarHBondContact ND2-O 2.98Å; N145-W380 PolarHBondContact O-NE1 3.01Å
146	L	86.6	Confident	76.9	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.281	C	S	.	.	S	Bend	trans	60.2	16.6	179.7	-52.5	172.4	0	0	0	114.5	I54 A58 W144 L164 W380	I54-L146 HydrophobicContact CG2-CD1 3.69Å; A58-L146 HydrophobicContact CB-CD2 4.1Å; W144-L146 VanDerWaalsContact C-N 3.32Å; W144-L146 HydrophobicContact CD2-CD2 4.27Å; W144-L146 HydrophobicContact CE3-CD2 3.67Å; W144-L146 HydrophobicContact CH2-CD2 4.14Å; W144-L146 HydrophobicContact CZ3-CD2 3.61Å; W144-L146 PolarHBondContact O-N 2.96Å; L146-L164 HydrophobicContact CD1-CD2 3.91Å; L146-L164 HydrophobicContact CD1-CG 3.88Å; L146-W380 HydrophobicContact CB-CZ2 4.23Å; L146-W380 HydrophobicContact CD1-CZ2 4.41Å
147	L	86.7	Confident	76	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.293	C	S	.	.			trans	-94.2	130	168.6	-53.5	178.5	0	0	0	108.6	W144 N145 R149 S150 N151	W144-L147 PolarHBondContact NE1-O 3.36Å; N145-L147 PolarHBondContact O-N 3.48Å; N145-L147 WeakPolarHBondContact OD1-CB 3.29Å; N145-L147 WeakPolarHBondContact OD1-CG 3.39Å; N145-L147 PolarHBondContact OD1-N 2.61Å; L147-R149 HydrophobicContact CB-CG 4.34Å; L147-R149 PolarHBondContact O-N 2.98Å; L147-S150 WeakPolarHBondContact CB-OG 3.46Å; L147-S150 PolarHBondContact O-N 3.49Å; L147-S150 PolarHBondContact O-OG 3.27Å; L147-N151 PolarHBondContact O-N 3.35Å
148	T	83.3	Confident	75.9	Confident	86 Å²	86	54.6 Å²	54.6	53%	0.528	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.8	-35.7	179.6	-48.9	0	0	0	0	111.7	S150 N151 W165	T148-S150 VanDerWaalsContact C-N 3.26Å; T148-S150 PolarHBondContact O-N 2.87Å; T148-N151 WeakPolarHBondContact O-CB 3.15Å; T148-N151 PolarHBondContact O-N 3.37Å; T148-N151 VanDerWaalsContact O-N 3.17Å; T148-W165 VanDerWaalsContact OG1-CZ2 3.27Å; T148-W165 WeakPolarHBondContact OG1-CZ2 3.31Å; T148-W165 PolarHBondContact OG1-NE1 2.88Å; T148-W165 VanDerWaalsContact OG1-NE1 3.07Å
149	R	84.3	Confident	76	Confident	74 Å²	74	59.1 Å²	59.1	28%	0.279	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-76.2	-4.4	-177.8	72.9	-163	-173.9	-156.2	0.2	115.5	L147 R375 S378 S379	L147-R149 HydrophobicContact CB-CG 4.34Å; L147-R149 PolarHBondContact O-N 2.98Å; R149-R375 VanDerWaalsContact CZ-O 3.27Å; R149-R375 PolarHBondContact NH1-O 3.35Å; R149-R375 PolarHBondContact NH2-O 2.89Å; R149-S378 PolarHBondContact NH1-OG 3.41Å; R149-S378 VanDerWaalsContact NH1-OG 3.09Å; R149-S379 PolarHBondContact NH2-OG 3.23Å
150	S	76.6	Confident	76.3	Confident	24 Å²	24	64.3 Å²	64.3	17%	0.168	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-111.5	2.1	171.9	57.7	0	0	0	0	111.2	N145 L147 T148 N152	N145-S150 PolarHBondContact OD1-OG 3.25Å; L147-S150 WeakPolarHBondContact CB-OG 3.46Å; L147-S150 PolarHBondContact O-N 3.49Å; L147-S150 PolarHBondContact O-OG 3.27Å; T148-S150 VanDerWaalsContact C-N 3.26Å; T148-S150 PolarHBondContact O-N 2.87Å; S150-N152 PolarHBondContact O-N 3.47Å
151	N	71.9	Confident	76.7	Confident	44 Å²	44	60 Å²	60	24%	0.235	29%	0.291	C	S	.	.			trans	-81.9	92.9	174	-176.5	5.7	0	0	0	108.5	L147 T148 F154	L147-N151 PolarHBondContact O-N 3.35Å; T148-N151 WeakPolarHBondContact O-CB 3.15Å; T148-N151 PolarHBondContact O-N 3.37Å; T148-N151 VanDerWaalsContact O-N 3.17Å; N151-F154 PolarHBondContact ND2-O 3.01Å; N151-F154 WeakPolarHBondContact OD1-CA 3.45Å; N151-F154 WeakPolarHBondContact OD1-CB 3.25Å; N151-F154 WeakPolarHBondContact OD1-CD2 3.04Å; N151-F154 PolarHBondContact OD1-N 3.1Å
152	N	63	Low	77.2	Confident	88 Å²	88	60.9 Å²	60.9	47%	0.471	30%	0.297	S	S	.	.	S	Bend	trans	-88.4	-20.1	-179.6	-77.1	-5.2	0	0	0	113.7	S150	S150-N152 PolarHBondContact O-N 3.47Å
153	N	60.9	Low	78.1	Confident	75 Å²	75	57.5 Å²	57.5	40%	0.401	29%	0.287	S	S	.	.	S	Bend	trans	-162.3	16.1	-176	-80.4	-43.3	0	0	0	115.4	H155	N153-H155 PolarHBondContact O-CD2 3.45Å; N153-H155 PolarHBondContact O-N 3.31Å
154	F	63.5	Low	78.9	Confident	33 Å²	33	58.3 Å²	58.3	15%	0.145	29%	0.29	C	S	.	.			trans	-83.9	84.4	178.4	-54.3	-64.8	0	0	0	110.4	I62 L73 W144 N151	I62-F154 HydrophobicContact CD1-CB 4.28Å; I62-F154 HydrophobicContact CD1-CD1 3.99Å; I62-F154 HydrophobicContact CD1-CD2 4.49Å; I62-F154 HydrophobicContact CD1-CE1 4.41Å; I62-F154 HydrophobicContact CD1-CG 4Å; I62-F154 HydrophobicContact CG2-CD1 3.48Å; I62-F154 VanDerWaalsContact CG2-CD1 3.48Å; I62-F154 HydrophobicContact CG2-CE1 3.96Å; I62-F154 HydrophobicContact CG2-CG 4.34Å; L73-F154 HydrophobicContact CD2-CD1 4.5Å; W144-F154 HydrophobicContact CB-CD2 3.76Å; W144-F154 HydrophobicContact CB-CE2 3.45Å; W144-F154 VanDerWaalsContact CB-CE2 3.45Å; W144-F154 HydrophobicContact CB-CZ 4.01Å; W144-F154 HydrophobicContact CD2-CD2 4.4Å; W144-F154 AromaticContact CG-CD2 3.81Å; W144-F154 HydrophobicContact CG-CD2 3.81Å; W144-F154 AromaticContact CG-CE2 3.91Å; W144-F154 HydrophobicContact CG-CE2 3.91Å; N151-F154 PolarHBondContact ND2-O 3.01Å; N151-F154 WeakPolarHBondContact OD1-CA 3.45Å; N151-F154 WeakPolarHBondContact OD1-CB 3.25Å; N151-F154 WeakPolarHBondContact OD1-CD2 3.04Å; N151-F154 PolarHBondContact OD1-N 3.1Å
155	H	60.9	Low	79.3	Confident	154 Å²	154	60.6 Å²	60.6	71%	0.713	30%	0.298	S	S	*	.			trans	-70.7	-28.6	-179.9	-68.7	-72.2	0	0	0	113.5	N153	N153-H155 PolarHBondContact O-CD2 3.45Å; N153-H155 PolarHBondContact O-N 3.31Å
156	Y	64	Low	79.6	Confident	82 Å²	82	67.1 Å²	67.1	32%	0.322	32%	0.323	S	S	.	.			trans	-102.9	107.4	178.4	-175.7	-110.2	0	0	0	111.8	K69	K69-Y156 HydrophobicContact CD-CD2 4.22Å; K69-Y156 HydrophobicContact CD-CE2 4.47Å; K69-Y156 HydrophobicContact CD-CG 4.39Å
157	I	72.4	Confident	79.9	Confident	62 Å²	62	71.5 Å²	71.5	32%	0.318	35%	0.346	S	S	.	.			trans	-109.4	108.3	171.2	-52.3	178.3	0	0	0	107.5	W144 L161 T162	W144-I157 HydrophobicContact CH2-CD1 4.05Å; W144-I157 HydrophobicContact CZ3-CG2 4.36Å; I157-L161 HydrophobicContact CG2-CB 3.73Å; I157-T162 VanDerWaalsContact CG2-OG1 3.3Å; I157-T162 WeakPolarHBondContact CG2-OG1 3.3Å
158	S	83.3	Confident	80.2	Confident	5 Å²	5	71.5 Å²	71.5	4%	0.035	35%	0.347	C	S	.	.			trans	-64	153.2	175.5	73.6	0	0	0	0	111.5	R160 L161 T162	S158-R160 PolarHBondContact O-N 2.94Å; S158-R160 VanDerWaalsContact O-N 3.1Å; S158-L161 WeakPolarHBondContact O-CA 2.97Å; S158-L161 WeakPolarHBondContact O-CB 3.31Å; S158-L161 PolarHBondContact O-N 3.4Å; S158-L161 WeakPolarHBondContact OG-CG 3.31Å; S158-T162 PolarHBondContact O-N 2.68Å; S158-T162 PolarHBondContact O-OG1 3.23Å
159	L	85.9	Confident	80.7	Confident	139 Å²	139	69.3 Å²	69.3	73%	0.728	33%	0.332	S	S	*	.	H	α-helix	trans	-50.4	-41.1	179.8	-178.7	66.3	0	0	0	113.1	L161 T162 V163	L159-L161 PolarHBondContact O-N 2.75Å; L159-T162 WeakPolarHBondContact O-CB 3.43Å; L159-T162 PolarHBondContact O-N 3.03Å; L159-V163 WeakPolarHBondContact O-CG2 3.37Å; L159-V163 PolarHBondContact O-N 2.99Å
160	R	87.3	Confident	81.2	Confident	170 Å²	170	71 Å²	71	64%	0.642	35%	0.346	S	S	*	.	H	α-helix	trans	-62.8	-40.1	177.5	-62.7	-177.3	-175.3	173.7	1	112.3	W57 S158 L164	W57-R160 HydrophobicContact CH2-CB 4.35Å; S158-R160 PolarHBondContact O-N 2.94Å; S158-R160 VanDerWaalsContact O-N 3.1Å; R160-L164 WeakPolarHBondContact O-CB 3.23Å; R160-L164 PolarHBondContact O-N 2.95Å
161	L	87.1	Confident	82	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-68.7	-38.2	175.1	-71.1	169.2	0	0	0	111.2	W57 A58 R61 I62 I157 S158 L159 L164 W165	W57-L161 HydrophobicContact CE3-CD2 4.3Å; W57-L161 HydrophobicContact CH2-CD2 4.4Å; W57-L161 HydrophobicContact CZ3-CD2 3.68Å; A58-L161 HydrophobicContact CB-CD2 3.66Å; R61-L161 HydrophobicContact CB-CD1 4.23Å; R61-L161 HydrophobicContact CB-CD2 4.49Å; R61-L161 HydrophobicContact CG-CD1 3.95Å; R61-L161 HydrophobicContact CG-CG 4.2Å; I62-L161 HydrophobicContact CD1-CD1 4.36Å; I62-L161 HydrophobicContact CG1-CD1 3.63Å; I157-L161 HydrophobicContact CG2-CB 3.73Å; S158-L161 WeakPolarHBondContact O-CA 2.97Å; S158-L161 WeakPolarHBondContact O-CB 3.31Å; S158-L161 PolarHBondContact O-N 3.4Å; S158-L161 WeakPolarHBondContact OG-CG 3.31Å; L159-L161 PolarHBondContact O-N 2.75Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-W165 VanDerWaalsContact O-CB 3.27Å; L161-W165 WeakPolarHBondContact O-CB 2.86Å; L161-W165 PolarHBondContact O-N 2.73Å
162	T	88.6	Confident	83.1	Confident	46 Å²	46	70.9 Å²	70.9	28%	0.282	34%	0.342	S	S	.	.	H	α-helix	trans	-62.4	-43.8	175.2	-53.1	0	0	0	0	111.5	I157 S158 L159 W165 W166	I157-T162 VanDerWaalsContact CG2-OG1 3.3Å; I157-T162 WeakPolarHBondContact CG2-OG1 3.3Å; S158-T162 PolarHBondContact O-N 2.68Å; S158-T162 PolarHBondContact O-OG1 3.23Å; L159-T162 WeakPolarHBondContact O-CB 3.43Å; L159-T162 PolarHBondContact O-N 3.03Å; T162-W165 PolarHBondContact O-N 3.06Å; T162-W166 PolarHBondContact O-N 2.99Å
163	V	91.3	Very high	84.6	Confident	92 Å²	92	71.5 Å²	71.5	56%	0.558	34%	0.338	S	S	*	.	H	α-helix	trans	-61.6	-45.6	174.7	171.1	0	0	0	0	110.9	L159 W165 W166 L167	L159-V163 WeakPolarHBondContact O-CG2 3.37Å; L159-V163 PolarHBondContact O-N 2.99Å; V163-W165 VanDerWaalsContact C-N 3.33Å; V163-W165 PolarHBondContact O-N 3.42Å; V163-W166 PolarHBondContact O-N 3.43Å; V163-L167 PolarHBondContact O-N 3.45Å
164	L	91	Very high	86.1	Confident	40 Å²	40	70.5 Å²	70.5	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-37.8	178.2	-174.3	61.9	0	0	0	112.4	I54 W57 L146 R160 L161 L167 G168	I54-L164 HydrophobicContact CG2-CD2 3.89Å; W57-L164 HydrophobicContact CE3-CD2 4.06Å; W57-L164 HydrophobicContact CZ3-CD2 3.71Å; L146-L164 HydrophobicContact CD1-CD2 3.91Å; L146-L164 HydrophobicContact CD1-CG 3.88Å; R160-L164 WeakPolarHBondContact O-CB 3.23Å; R160-L164 PolarHBondContact O-N 2.95Å; L161-L164 PolarHBondContact O-N 3.47Å; L164-L167 PolarHBondContact O-N 3.27Å; L164-G168 PolarHBondContact O-N 3.06Å
165	W	90.9	Very high	87.4	Confident	51 Å²	51	73.7 Å²	73.7	19%	0.193	36%	0.364	C	S	.	.	H	α-helix	trans	-63.7	-44.8	174	174.1	85.5	0	0	0	111.5	W144 T148 L161 T162 V163 G168 L169	W144-W165 HydrophobicContact CH2-CB 4.32Å; W144-W165 AromaticContact CH2-CD1 3.8Å; W144-W165 HydrophobicContact CH2-CG 4.23Å; W144-W165 AromaticContact CZ2-CD1 3.78Å; T148-W165 VanDerWaalsContact OG1-CZ2 3.27Å; T148-W165 WeakPolarHBondContact OG1-CZ2 3.31Å; T148-W165 PolarHBondContact OG1-NE1 2.88Å; T148-W165 VanDerWaalsContact OG1-NE1 3.07Å; L161-W165 VanDerWaalsContact O-CB 3.27Å; L161-W165 WeakPolarHBondContact O-CB 2.86Å; L161-W165 PolarHBondContact O-N 2.73Å; T162-W165 PolarHBondContact O-N 3.06Å; V163-W165 VanDerWaalsContact C-N 3.33Å; V163-W165 PolarHBondContact O-N 3.42Å; W165-G168 CarbonylContact O-C 3.55Å; W165-G168 PolarHBondContact O-N 2.96Å; W165-L169 HydrophobicContact CH2-CD1 3.66Å; W165-L169 HydrophobicContact CZ2-CD1 3.81Å; W165-L169 HydrophobicContact CZ3-CD1 4.26Å; W165-L169 PolarHBondContact O-N 2.84Å
166	W	93	Very high	88.9	Confident	138 Å²	138	67.5 Å²	67.5	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-61.6	-44.4	174.6	-90.6	117.1	0	0	0	112.1	T162 V163 G168 L169 L170	T162-W166 PolarHBondContact O-N 2.99Å; V163-W166 PolarHBondContact O-N 3.43Å; W166-G168 VanDerWaalsContact C-N 3.29Å; W166-G168 PolarHBondContact O-N 2.96Å; W166-L169 HydrophobicContact CE3-CB 4.46Å; W166-L169 HydrophobicContact CE3-CD1 4.22Å; W166-L169 HydrophobicContact CE3-CD2 4.32Å; W166-L169 HydrophobicContact CZ3-CD1 4.02Å; W166-L169 HydrophobicContact CZ3-CD2 4.12Å; W166-L169 WeakPolarHBondContact O-CB 3.22Å; W166-L169 PolarHBondContact O-N 2.95Å; W166-L169 VanDerWaalsContact O-N 3.13Å; W166-L170 WeakPolarHBondContact O-CG 3.44Å; W166-L170 PolarHBondContact O-N 2.89Å
167	L	93.3	Very high	90.4	Very high	93 Å²	93	65 Å²	65	49%	0.487	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-44.5	173.4	179.5	61.7	0	0	0	111	V163 L164 L169 L170 I171	V163-L167 PolarHBondContact O-N 3.45Å; L164-L167 PolarHBondContact O-N 3.27Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.01Å; L167-L170 PolarHBondContact O-N 2.64Å; L167-I171 HydrophobicContact CD1-CD1 4.15Å; L167-I171 HydrophobicContact CD1-CG1 4.44Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 WeakPolarHBondContact O-CG1 3.19Å; L167-I171 PolarHBondContact O-N 2.97Å
168	G	92.8	Very high	91.4	Very high	4 Å²	4	65 Å²	65	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-34.5	175.4	0	0	0	0	0	113.5	L164 W165 W166 R172 W380	L164-G168 PolarHBondContact O-N 3.06Å; W165-G168 CarbonylContact O-C 3.55Å; W165-G168 PolarHBondContact O-N 2.96Å; W166-G168 VanDerWaalsContact C-N 3.29Å; W166-G168 PolarHBondContact O-N 2.96Å; G168-R172 VanDerWaalsContact O-CB 3.28Å; G168-R172 WeakPolarHBondContact O-CB 3.29Å; G168-R172 WeakPolarHBondContact O-CG 3.5Å; G168-R172 PolarHBondContact O-N 2.9Å; G168-R172 PolarHBondContact O-NE 2.87Å; G168-W380 VanDerWaalsContact CA-CH2 3.47Å
169	L	93.3	Very high	91.7	Very high	40 Å²	40	66.4 Å²	66.4	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-65.5	-48.2	173.3	-171.3	156	0	0	0	110.6	W165 W166 L167 I171 R172 Y173	W165-L169 HydrophobicContact CH2-CD1 3.66Å; W165-L169 HydrophobicContact CZ2-CD1 3.81Å; W165-L169 HydrophobicContact CZ3-CD1 4.26Å; W165-L169 PolarHBondContact O-N 2.84Å; W166-L169 HydrophobicContact CE3-CB 4.46Å; W166-L169 HydrophobicContact CE3-CD1 4.22Å; W166-L169 HydrophobicContact CE3-CD2 4.32Å; W166-L169 HydrophobicContact CZ3-CD1 4.02Å; W166-L169 HydrophobicContact CZ3-CD2 4.12Å; W166-L169 WeakPolarHBondContact O-CB 3.22Å; W166-L169 PolarHBondContact O-N 2.95Å; W166-L169 VanDerWaalsContact O-N 3.13Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.01Å; L169-I171 VanDerWaalsContact C-N 3.35Å; L169-I171 PolarHBondContact O-N 3.46Å; L169-R172 PolarHBondContact O-N 3.27Å; L169-Y173 HydrophobicContact CD2-CD2 4.22Å; L169-Y173 HydrophobicContact CG-CD2 3.89Å; L169-Y173 HydrophobicContact CG-CE2 4.27Å; L169-Y173 WeakPolarHBondContact O-CB 3.45Å; L169-Y173 WeakPolarHBondContact O-CD2 3.32Å; L169-Y173 PolarHBondContact O-N 3.04Å
170	L	94.9	Very high	92.1	Very high	110 Å²	110	59.8 Å²	59.8	58%	0.576	30%	0.304	S	S	*	.	I	π-helix	trans	-59.3	-44.7	177.3	-67.5	172.8	0	0	0	111.8	W166 L167 G174	W166-L170 WeakPolarHBondContact O-CG 3.44Å; W166-L170 PolarHBondContact O-N 2.89Å; L167-L170 PolarHBondContact O-N 2.64Å; L170-G174 WeakPolarHBondContact O-CA 3.35Å; L170-G174 PolarHBondContact O-N 2.81Å
171	I	93.4	Very high	92.5	Very high	59 Å²	59	54.7 Å²	54.7	30%	0.303	29%	0.292	S	S	.	.	I	π-helix	trans	-63.4	-49	176.9	-67.9	167.8	0	0	0	110.7	L167 L169 I175 L176	L167-I171 HydrophobicContact CD1-CD1 4.15Å; L167-I171 HydrophobicContact CD1-CG1 4.44Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 WeakPolarHBondContact O-CG1 3.19Å; L167-I171 PolarHBondContact O-N 2.97Å; L169-I171 VanDerWaalsContact C-N 3.35Å; L169-I171 PolarHBondContact O-N 3.46Å; I171-I175 WeakPolarHBondContact O-CB 3.25Å; I171-I175 PolarHBondContact O-N 2.77Å; I171-L176 HydrophobicContact CG2-CD1 4.07Å; I171-L176 HydrophobicContact CG2-CG 4.17Å; I171-L176 PolarHBondContact O-N 3.46Å
172	R	94.6	Very high	92.7	Very high	6 Å²	6	57.1 Å²	57.1	2%	0.023	31%	0.306	C	S	.	.	I	π-helix	trans	-67.9	-43.8	-175	-72.4	-178	-55.3	115.6	-4.8	112.7	G168 L169 L176 L177 S378 W380	G168-R172 VanDerWaalsContact O-CB 3.28Å; G168-R172 WeakPolarHBondContact O-CB 3.29Å; G168-R172 WeakPolarHBondContact O-CG 3.5Å; G168-R172 PolarHBondContact O-N 2.9Å; G168-R172 PolarHBondContact O-NE 2.87Å; L169-R172 PolarHBondContact O-N 3.27Å; R172-L176 HydrophobicContact CG-CD1 4.28Å; R172-L177 VanDerWaalsContact O-CB 3.24Å; R172-L177 WeakPolarHBondContact O-CB 3.27Å; R172-L177 PolarHBondContact O-N 2.98Å; R172-S378 WeakPolarHBondContact CD-O 3.47Å; R172-S378 PolarHBondContact NH1-O 3.25Å; R172-W380 HydrophobicContact CG-CD2 4.33Å; R172-W380 HydrophobicContact CG-CE3 4.02Å; R172-W380 HydrophobicContact CG-CH2 4.42Å; R172-W380 HydrophobicContact CG-CZ3 4.08Å
173	Y	94.6	Very high	92.8	Very high	101 Å²	101	55.1 Å²	55.1	40%	0.396	29%	0.294	S	S	.	.	I	π-helix	trans	-95.2	-31	-174.2	-69.1	-87.8	0	0	0	113.6	L169 L177 P178	L169-Y173 HydrophobicContact CD2-CD2 4.22Å; L169-Y173 HydrophobicContact CG-CD2 3.89Å; L169-Y173 HydrophobicContact CG-CE2 4.27Å; L169-Y173 WeakPolarHBondContact O-CB 3.45Å; L169-Y173 WeakPolarHBondContact O-CD2 3.32Å; L169-Y173 PolarHBondContact O-N 3.04Å; Y173-L177 HydrophobicContact CD1-CD2 3.76Å; Y173-L177 HydrophobicContact CE1-CD2 4.28Å; Y173-P178 VanDerWaalsContact O-CD 3.27Å; Y173-P178 WeakPolarHBondContact O-CD 3.31Å
174	G	92.5	Very high	92.9	Very high	55 Å²	55	52 Å²	52	57%	0.567	28%	0.278	S	S	*	.	I	π-helix	trans	-85.2	-29.4	179.6	0	0	0	0	0	114	L170	L170-G174 WeakPolarHBondContact O-CA 3.35Å; L170-G174 PolarHBondContact O-N 2.81Å
175	I	90.6	Very high	93.1	Very high	99 Å²	99	57.2 Å²	57.2	51%	0.508	30%	0.299	S	S	.	.	I	π-helix	trans	-117.8	-58.5	-175.1	-53.5	175.7	0	0	0	111.3	I171 L179	I171-I175 WeakPolarHBondContact O-CB 3.25Å; I171-I175 PolarHBondContact O-N 2.77Å; I175-L179 VanDerWaalsContact O-CB 3.26Å; I175-L179 WeakPolarHBondContact O-CB 3.4Å; I175-L179 PolarHBondContact O-N 2.78Å
176	L	92.4	Very high	93.1	Very high	25 Å²	25	56.2 Å²	56.2	13%	0.131	30%	0.299	C	S	.	.	I	π-helix	trans	-69.6	-45.9	-171.6	-63.1	177.9	0	0	0	112.4	I171 R172 L179 R180	I171-L176 HydrophobicContact CG2-CD1 4.07Å; I171-L176 HydrophobicContact CG2-CG 4.17Å; I171-L176 PolarHBondContact O-N 3.46Å; R172-L176 HydrophobicContact CG-CD1 4.28Å; L176-L179 PolarHBondContact O-N 3.11Å; L176-R180 VanDerWaalsContact O-CB 3.23Å; L176-R180 WeakPolarHBondContact O-CB 3.4Å; L176-R180 WeakPolarHBondContact O-CD 3.47Å; L176-R180 WeakPolarHBondContact O-CG 3.02Å; L176-R180 PolarHBondContact O-N 3.17Å
177	L	94.9	Very high	93.1	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.157	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-49.7	-176	177.8	66	0	0	0	112.6	R172 Y173 L179 R180 V181 L374 M377	R172-L177 VanDerWaalsContact O-CB 3.24Å; R172-L177 WeakPolarHBondContact O-CB 3.27Å; R172-L177 PolarHBondContact O-N 2.98Å; Y173-L177 HydrophobicContact CD1-CD2 3.76Å; Y173-L177 HydrophobicContact CE1-CD2 4.28Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 3.36Å; L177-R180 PolarHBondContact O-N 3.43Å; L177-V181 HydrophobicContact CD1-CG2 4Å; L177-V181 HydrophobicContact CG-CG2 4.39Å; L177-V181 VanDerWaalsContact O-CG2 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.07Å; L177-L374 HydrophobicContact CD1-CD2 4.1Å; L177-M377 HydrophobicContact CD1-CB 3.67Å
178	P	93.1	Very high	93.1	Very high	60 Å²	60	47.2 Å²	47.2	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-58.5	-46.1	176.7	-25.2	35.3	0	0	0	111.9	Y173 R180 V181 T182	Y173-P178 VanDerWaalsContact O-CD 3.27Å; Y173-P178 WeakPolarHBondContact O-CD 3.31Å; P178-R180 VanDerWaalsContact C-N 3.33Å; P178-R180 PolarHBondContact O-N 2.91Å; P178-V181 PolarHBondContact O-N 3.34Å; P178-T182 PolarHBondContact O-N 3.33Å; P178-T182 PolarHBondContact O-OG1 2.91Å; P178-T182 VanDerWaalsContact O-OG1 3.06Å
179	L	90.7	Very high	93.2	Very high	35 Å²	35	49.2 Å²	49.2	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-54.5	-48.2	175.3	176.1	68.1	0	0	0	112.4	W23 L27 I31 I175 L176 L177 T182 L183	W23-L179 HydrophobicContact CH2-CB 4.01Å; W23-L179 HydrophobicContact CH2-CD1 3.82Å; W23-L179 HydrophobicContact CH2-CG 4.46Å; W23-L179 HydrophobicContact CZ2-CB 3.91Å; W23-L179 HydrophobicContact CZ2-CD1 3.55Å; W23-L179 HydrophobicContact CZ2-CG 4.37Å; L27-L179 HydrophobicContact CD2-CD1 3.28Å; L27-L179 HydrophobicContact CG-CD1 4.27Å; I31-L179 HydrophobicContact CD1-CD1 4.12Å; I31-L179 HydrophobicContact CD1-CD2 4.45Å; I175-L179 VanDerWaalsContact O-CB 3.26Å; I175-L179 WeakPolarHBondContact O-CB 3.4Å; I175-L179 PolarHBondContact O-N 2.78Å; L176-L179 PolarHBondContact O-N 3.11Å; L177-L179 VanDerWaalsContact C-N 3.34Å; L177-L179 PolarHBondContact O-N 3.36Å; L179-T182 PolarHBondContact O-N 3.13Å; L179-L183 HydrophobicContact CD1-CD1 4.44Å; L179-L183 HydrophobicContact CG-CD1 4.25Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 2.65Å
180	R	94.1	Very high	93.2	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-39.7	-179.2	-74.7	176.2	177	165.9	2.3	112.2	L176 L177 P178 L183 A184 A225 T227 M377 S379 W380	L176-R180 VanDerWaalsContact O-CB 3.23Å; L176-R180 WeakPolarHBondContact O-CB 3.4Å; L176-R180 WeakPolarHBondContact O-CD 3.47Å; L176-R180 WeakPolarHBondContact O-CG 3.02Å; L176-R180 PolarHBondContact O-N 3.17Å; L177-R180 PolarHBondContact O-N 3.43Å; P178-R180 VanDerWaalsContact C-N 3.33Å; P178-R180 PolarHBondContact O-N 2.91Å; R180-L183 PolarHBondContact O-N 2.93Å; R180-A184 WeakPolarHBondContact O-CB 3.11Å; R180-A184 PolarHBondContact O-N 2.98Å; R180-A225 WeakPolarHBondContact CB-O 3.34Å; R180-A225 VanDerWaalsContact CD-O 3.23Å; R180-A225 WeakPolarHBondContact CD-O 3.38Å; R180-A225 WeakPolarHBondContact CG-O 2.94Å; R180-A225 WeakPolarHBondContact O-CB 3.43Å; R180-T227 VanDerWaalsContact CZ-OG1 3.25Å; R180-T227 PolarHBondContact NE-OG1 3.31Å; R180-T227 PolarHBondContact NH2-OG1 3.44Å; R180-M377 HydrophobicContact CB-CB 4.09Å; R180-M377 HydrophobicContact CB-CG 4.02Å; R180-M377 HydrophobicContact CB-SD 4.06Å; R180-M377 WeakPolarHBondContact CD-O 3.49Å; R180-M377 PolarHBondContact NH1-O 2.79Å; R180-S379 PolarHBondContact NH1-O 2.95Å; R180-W380 PolarHBondContact NH2-O 3.38Å
181	V	94.6	Very high	93.2	Very high	63 Å²	63	45.1 Å²	45.1	38%	0.382	26%	0.255	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.7	170	0	0	0	0	110.6	L177 P178 L183 A184 F185 L374 M377	L177-V181 HydrophobicContact CD1-CG2 4Å; L177-V181 HydrophobicContact CG-CG2 4.39Å; L177-V181 VanDerWaalsContact O-CG2 3.32Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.07Å; P178-V181 PolarHBondContact O-N 3.34Å; V181-L183 PolarHBondContact O-N 3.27Å; V181-A184 PolarHBondContact O-N 3.11Å; V181-F185 WeakPolarHBondContact O-CB 3.35Å; V181-F185 PolarHBondContact O-N 3.2Å; V181-L374 HydrophobicContact CG2-CD2 4.23Å; V181-M377 HydrophobicContact CG2-CE 4.39Å; V181-M377 HydrophobicContact CG2-SD 4.11Å
182	T	91.2	Very high	93.2	Very high	51 Å²	51	43.9 Å²	43.9	31%	0.313	25%	0.25	S	C	.	.	H	α-helix	trans	-58.8	-48.7	174.6	-55.6	0	0	0	0	111	L27 P178 L179 A184 F185 T186	L27-T182 HydrophobicContact CD1-CG2 3.76Å; P178-T182 PolarHBondContact O-N 3.33Å; P178-T182 PolarHBondContact O-OG1 2.91Å; P178-T182 VanDerWaalsContact O-OG1 3.06Å; L179-T182 PolarHBondContact O-N 3.13Å; T182-A184 PolarHBondContact O-N 3.47Å; T182-F185 PolarHBondContact O-N 3.17Å; T182-T186 WeakPolarHBondContact O-CB 3.36Å; T182-T186 PolarHBondContact O-N 3.35Å; T182-T186 PolarHBondContact O-OG1 3.19Å
183	L	91.7	Very high	93.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-41.7	178.8	-73.3	171.4	0	0	0	113	L27 I31 L179 R180 V181 T186 G187 A225	L27-L183 HydrophobicContact CD2-CD2 3.82Å; L27-L183 HydrophobicContact CD2-CG 4.14Å; I31-L183 HydrophobicContact CB-CD2 4.27Å; I31-L183 HydrophobicContact CD1-CD1 3.96Å; I31-L183 HydrophobicContact CD1-CD2 4.49Å; I31-L183 HydrophobicContact CG2-CD1 3.94Å; I31-L183 HydrophobicContact CG2-CD2 3.69Å; I31-L183 HydrophobicContact CG2-CG 4.49Å; L179-L183 HydrophobicContact CD1-CD1 4.44Å; L179-L183 HydrophobicContact CG-CD1 4.25Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 2.65Å; R180-L183 PolarHBondContact O-N 2.93Å; V181-L183 PolarHBondContact O-N 3.27Å; L183-T186 PolarHBondContact O-N 2.98Å; L183-G187 PolarHBondContact O-N 3.11Å; L183-A225 HydrophobicContact CB-CB 3.71Å
184	A	94	Very high	93.3	Very high	27 Å²	27	46.9 Å²	46.9	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-45.9	177.4	0	0	0	0	0	110.7	R180 V181 T182 G187 V188 A225 M377	R180-A184 WeakPolarHBondContact O-CB 3.11Å; R180-A184 PolarHBondContact O-N 2.98Å; V181-A184 PolarHBondContact O-N 3.11Å; T182-A184 PolarHBondContact O-N 3.47Å; A184-G187 PolarHBondContact O-N 2.92Å; A184-V188 WeakPolarHBondContact O-CB 3.21Å; A184-V188 VanDerWaalsContact O-CG2 3.32Å; A184-V188 WeakPolarHBondContact O-CG2 3.33Å; A184-V188 PolarHBondContact O-N 3.45Å; A184-A225 HydrophobicContact CB-CB 3.87Å; A184-M377 HydrophobicContact CB-SD 4.26Å
185	F	93.6	Very high	93.4	Very high	150 Å²	150	44.2 Å²	44.2	66%	0.658	24%	0.24	S	C	*	.	H	α-helix	trans	-62	-44.9	177.2	-177.2	-96.6	0	0	0	111.8	V181 T182 S189	V181-F185 WeakPolarHBondContact O-CB 3.35Å; V181-F185 PolarHBondContact O-N 3.2Å; T182-F185 PolarHBondContact O-N 3.17Å; F185-S189 WeakPolarHBondContact O-CB 3.23Å; F185-S189 PolarHBondContact O-N 2.89Å; F185-S189 PolarHBondContact O-OG 3.38Å
186	T	90.9	Very high	93.5	Very high	29 Å²	29	41.2 Å²	41.2	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-48.3	175.6	-59.4	0	0	0	0	111.4	I32 T182 L183 V188 S189 L190	I32-T186 HydrophobicContact CD1-CG2 4.22Å; T182-T186 WeakPolarHBondContact O-CB 3.36Å; T182-T186 PolarHBondContact O-N 3.35Å; T182-T186 PolarHBondContact O-OG1 3.19Å; L183-T186 PolarHBondContact O-N 2.98Å; T186-V188 PolarHBondContact O-N 3.19Å; T186-S189 PolarHBondContact O-N 3.43Å; T186-L190 HydrophobicContact CG2-CD1 3.79Å; T186-L190 HydrophobicContact CG2-CG 4.32Å; T186-L190 VanDerWaalsContact O-CB 3.31Å; T186-L190 WeakPolarHBondContact O-CB 3.42Å; T186-L190 VanDerWaalsContact O-CG 3.25Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 2.83Å
187	G	92.8	Very high	93.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-44.7	-178.9	0	0	0	0	0	113	L183 A184 L191	L183-G187 PolarHBondContact O-N 3.11Å; A184-G187 PolarHBondContact O-N 2.92Å; G187-L191 WeakPolarHBondContact O-CB 3.41Å; G187-L191 PolarHBondContact O-N 3.49Å
188	V	94.1	Very high	93.5	Very high	43 Å²	43	43.4 Å²	43.4	26%	0.261	24%	0.239	S	C	.	.	H	α-helix	trans	-69.2	-43.3	177.5	173.6	0	0	0	0	111.5	A184 T186 L191 V192 I278	A184-V188 WeakPolarHBondContact O-CB 3.21Å; A184-V188 VanDerWaalsContact O-CG2 3.32Å; A184-V188 WeakPolarHBondContact O-CG2 3.33Å; A184-V188 PolarHBondContact O-N 3.45Å; T186-V188 PolarHBondContact O-N 3.19Å; V188-L191 WeakPolarHBondContact O-CB 3.39Å; V188-L191 PolarHBondContact O-N 2.85Å; V188-V192 HydrophobicContact CG1-CG2 4.48Å; V188-V192 WeakPolarHBondContact O-CG2 3.17Å; V188-V192 PolarHBondContact O-N 3.43Å; V188-I278 HydrophobicContact CG1-CD1 3.72Å; V188-I278 HydrophobicContact CG1-CG1 4.03Å
189	S	94.1	Very high	93.4	Very high	46 Å²	46	41.6 Å²	41.6	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-45.5	178.4	-62.3	0	0	0	0	111.6	F185 T186 L191 V192 F193	F185-S189 WeakPolarHBondContact O-CB 3.23Å; F185-S189 PolarHBondContact O-N 2.89Å; F185-S189 PolarHBondContact O-OG 3.38Å; T186-S189 PolarHBondContact O-N 3.43Å; S189-L191 VanDerWaalsContact C-N 3.35Å; S189-L191 PolarHBondContact O-N 3.38Å; S189-V192 PolarHBondContact O-N 3.5Å; S189-F193 VanDerWaalsContact O-CB 3.32Å; S189-F193 WeakPolarHBondContact O-CB 3.08Å; S189-F193 PolarHBondContact O-N 2.9Å
190	L	93.8	Very high	93.4	Very high	54 Å²	54	46.8 Å²	46.8	28%	0.283	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-41.6	175.1	-73.6	174.5	0	0	0	111.6	T186 F193 L194 I221	T186-L190 HydrophobicContact CG2-CD1 3.79Å; T186-L190 HydrophobicContact CG2-CG 4.32Å; T186-L190 VanDerWaalsContact O-CB 3.31Å; T186-L190 WeakPolarHBondContact O-CB 3.42Å; T186-L190 VanDerWaalsContact O-CG 3.25Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 2.83Å; L190-F193 PolarHBondContact O-N 3.25Å; L190-L194 HydrophobicContact CB-CD1 4.34Å; L190-L194 VanDerWaalsContact O-CB 3.22Å; L190-L194 WeakPolarHBondContact O-CB 3.35Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 3.31Å; L190-L194 PolarHBondContact O-N 2.85Å; L190-I221 HydrophobicContact CD1-CD1 4.2Å
191	L	94.4	Very high	93.3	Very high	9 Å²	9	49.6 Å²	49.6	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-52.2	175.5	-178.5	66.1	0	0	0	110.9	G187 V188 S189 F193 T195 C218 Y219 I278 M282	G187-L191 WeakPolarHBondContact O-CB 3.41Å; G187-L191 PolarHBondContact O-N 3.49Å; V188-L191 WeakPolarHBondContact O-CB 3.39Å; V188-L191 PolarHBondContact O-N 2.85Å; S189-L191 VanDerWaalsContact C-N 3.35Å; S189-L191 PolarHBondContact O-N 3.38Å; L191-F193 PolarHBondContact O-N 3.32Å; L191-T195 HydrophobicContact CD1-CG2 3.78Å; L191-T195 HydrophobicContact CG-CG2 4.42Å; L191-T195 VanDerWaalsContact O-CB 3.27Å; L191-T195 WeakPolarHBondContact O-CB 3.44Å; L191-T195 WeakPolarHBondContact O-CG2 3.19Å; L191-T195 PolarHBondContact O-N 3.28Å; L191-T195 PolarHBondContact O-OG1 2.91Å; L191-C218 HydrophobicContact CB-CB 3.88Å; L191-C218 HydrophobicContact CD1-CB 3.91Å; L191-C218 HydrophobicContact CG-CB 4.43Å; L191-C218 PolarHBondContact N-SG 2.9Å; L191-Y219 HydrophobicContact CD2-CE1 4.49Å; L191-I278 HydrophobicContact CD2-CG2 4.45Å; L191-M282 HydrophobicContact CD2-CE 4.35Å; L191-M282 HydrophobicContact CD2-CG 4.3Å; L191-M282 HydrophobicContact CD2-SD 4.17Å; L191-M282 HydrophobicContact CG-CG 4.48Å
192	V	95.3	Very high	93	Very high	33 Å²	33	55.2 Å²	55.2	20%	0.2	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-46	-178.2	171.7	0	0	0	0	111.4	V188 S189 T195 S196 V277 I278	V188-V192 HydrophobicContact CG1-CG2 4.48Å; V188-V192 WeakPolarHBondContact O-CG2 3.17Å; V188-V192 PolarHBondContact O-N 3.43Å; S189-V192 PolarHBondContact O-N 3.5Å; V192-T195 PolarHBondContact O-OG1 3.3Å; V192-S196 VanDerWaalsContact O-CB 3.27Å; V192-S196 WeakPolarHBondContact O-CB 3.47Å; V192-S196 PolarHBondContact O-N 2.91Å; V192-S196 PolarHBondContact O-OG 2.91Å; V192-V277 HydrophobicContact CG1-CG1 4.18Å; V192-I278 HydrophobicContact CG2-CG1 4.04Å
193	F	95.5	Very high	92.7	Very high	134 Å²	134	59.8 Å²	59.8	59%	0.588	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-53.6	-178.4	177	-104.6	0	0	0	112	S189 L190 L191 S196 L197	S189-F193 VanDerWaalsContact O-CB 3.32Å; S189-F193 WeakPolarHBondContact O-CB 3.08Å; S189-F193 PolarHBondContact O-N 2.9Å; L190-F193 PolarHBondContact O-N 3.25Å; L191-F193 PolarHBondContact O-N 3.32Å; F193-S196 WeakPolarHBondContact O-CB 3.15Å; F193-S196 PolarHBondContact O-N 2.8Å; F193-L197 PolarHBondContact O-N 3.17Å
194	L	94.9	Very high	92.4	Very high	36 Å²	36	61.2 Å²	61.2	19%	0.188	33%	0.333	C	S	.	.	H	α-helix	trans	-69.4	-38.4	-175	-63.9	173.3	0	0	0	112.2	L190 S196 L197 I198 V214 M217	L190-L194 HydrophobicContact CB-CD1 4.34Å; L190-L194 VanDerWaalsContact O-CB 3.22Å; L190-L194 WeakPolarHBondContact O-CB 3.35Å; L190-L194 VanDerWaalsContact O-CG 3.23Å; L190-L194 WeakPolarHBondContact O-CG 3.31Å; L190-L194 PolarHBondContact O-N 2.85Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 2.87Å; L194-L197 PolarHBondContact O-N 3.15Å; L194-I198 WeakPolarHBondContact O-CB 3.36Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.44Å; L194-I198 PolarHBondContact O-N 3.27Å; L194-V214 HydrophobicContact CB-CG1 3.52Å; L194-V214 HydrophobicContact CB-CG2 4.39Å; L194-V214 HydrophobicContact CD1-CG1 3.94Å; L194-V214 HydrophobicContact CD1-CG2 4.29Å; L194-V214 HydrophobicContact CG-CG1 4.39Å; L194-M217 HydrophobicContact CD1-CE 3.58Å
195	T	93.6	Very high	92.1	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-66.8	-33.4	175	56.8	0	0	0	0	112	L191 V192 G199 S281 A285	L191-T195 HydrophobicContact CD1-CG2 3.78Å; L191-T195 HydrophobicContact CG-CG2 4.42Å; L191-T195 VanDerWaalsContact O-CB 3.27Å; L191-T195 WeakPolarHBondContact O-CB 3.44Å; L191-T195 WeakPolarHBondContact O-CG2 3.19Å; L191-T195 PolarHBondContact O-N 3.28Å; L191-T195 PolarHBondContact O-OG1 2.91Å; V192-T195 PolarHBondContact O-OG1 3.3Å; T195-G199 PolarHBondContact O-N 3.44Å; T195-S281 WeakPolarHBondContact CB-O 3.16Å; T195-S281 WeakPolarHBondContact OG1-CB 3.19Å; T195-S281 PolarHBondContact OG1-O 3.48Å; T195-A285 HydrophobicContact CG2-CB 3.91Å
196	S	93.6	Very high	91.9	Very high	35 Å²	35	69.7 Å²	69.7	25%	0.245	36%	0.363	C	S	.	.	H	α-helix	trans	-66	-40.4	172.6	-63.8	0	0	0	0	112.1	V192 F193 L194 G199	V192-S196 VanDerWaalsContact O-CB 3.27Å; V192-S196 WeakPolarHBondContact O-CB 3.47Å; V192-S196 PolarHBondContact O-N 2.91Å; V192-S196 PolarHBondContact O-OG 2.91Å; F193-S196 WeakPolarHBondContact O-CB 3.15Å; F193-S196 PolarHBondContact O-N 2.8Å; L194-S196 VanDerWaalsContact C-N 3.3Å; L194-S196 PolarHBondContact O-N 2.87Å; S196-G199 PolarHBondContact O-N 2.9Å
197	L	94.1	Very high	91.9	Very high	96 Å²	96	69.1 Å²	69.1	50%	0.503	36%	0.358	S	S	.	.	H	α-helix	trans	-65.1	-45.8	175.4	-176.2	63.3	0	0	0	111.8	F193 L194 G199 L200	F193-L197 PolarHBondContact O-N 3.17Å; L194-L197 PolarHBondContact O-N 3.15Å; L197-G199 PolarHBondContact O-N 3.31Å; L197-L200 HydrophobicContact CD1-CD1 4.24Å; L197-L200 WeakPolarHBondContact O-CB 3.23Å; L197-L200 PolarHBondContact O-N 2.64Å
198	I	93.8	Very high	91.7	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.026	38%	0.378	C	S	.	.	H	α-helix	trans	-60.9	-31.4	175.1	-69	170.1	0	0	0	111.3	L194 L200 L201 K207 L210 V214 A285	L194-I198 WeakPolarHBondContact O-CB 3.36Å; L194-I198 VanDerWaalsContact O-CG1 3.25Å; L194-I198 WeakPolarHBondContact O-CG1 3.44Å; L194-I198 PolarHBondContact O-N 3.27Å; I198-L200 PolarHBondContact O-N 3.5Å; I198-L201 VanDerWaalsContact O-CB 3.32Å; I198-L201 WeakPolarHBondContact O-CB 3.3Å; I198-L201 PolarHBondContact O-N 3.39Å; I198-K207 HydrophobicContact CG2-CG 3.78Å; I198-K207 WeakPolarHBondContact O-CE 3.36Å; I198-L210 HydrophobicContact CD1-CD2 4.32Å; I198-L210 HydrophobicContact CD1-CG 3.9Å; I198-L210 HydrophobicContact CG1-CD2 3.95Å; I198-L210 HydrophobicContact CG1-CG 4.09Å; I198-V214 HydrophobicContact CD1-CB 3.86Å; I198-V214 HydrophobicContact CD1-CG1 4.14Å; I198-V214 HydrophobicContact CD1-CG2 3.76Å; I198-A285 HydrophobicContact CB-CB 4.21Å; I198-A285 HydrophobicContact CG2-CB 3.89Å
199	G	90.6	Very high	91.5	Very high	23 Å²	23	74.3 Å²	74.3	24%	0.237	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.3	173	0	0	0	0	0	114.5	T195 S196 L197 L201 K284	T195-G199 PolarHBondContact O-N 3.44Å; S196-G199 PolarHBondContact O-N 2.9Å; L197-G199 PolarHBondContact O-N 3.31Å; G199-L201 VanDerWaalsContact C-N 3.28Å; G199-K284 WeakPolarHBondContact CA-O 3.43Å
200	L	91.4	Very high	91.4	Very high	144 Å²	144	75.7 Å²	75.7	75%	0.754	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.3	177.8	-54.3	-178.9	0	0	0	112.9	L197 I198	L197-L200 HydrophobicContact CD1-CD1 4.24Å; L197-L200 WeakPolarHBondContact O-CB 3.23Å; L197-L200 PolarHBondContact O-N 2.64Å; I198-L200 PolarHBondContact O-N 3.5Å
201	L	91.3	Very high	91.4	Very high	59 Å²	59	73.4 Å²	73.4	31%	0.309	38%	0.379	S	S	.	.	S	Bend	trans	-76.6	144.2	177.1	-58.4	176.2	0	0	0	110.8	I198 G199 K207 L210	I198-L201 VanDerWaalsContact O-CB 3.32Å; I198-L201 WeakPolarHBondContact O-CB 3.3Å; I198-L201 PolarHBondContact O-N 3.39Å; G199-L201 VanDerWaalsContact C-N 3.28Å; L201-K207 HydrophobicContact CB-CB 4.32Å; L201-K207 HydrophobicContact CB-CD 4.37Å; L201-K207 HydrophobicContact CB-CG 4.27Å; L201-K207 WeakPolarHBondContact O-CD 3.27Å; L201-K207 PolarHBondContact O-NZ 3.37Å; L201-K207 VanDerWaalsContact O-NZ 3.11Å; L201-L210 HydrophobicContact CD1-CD2 3.86Å
202	Q	88.3	Confident	91.2	Very high	182 Å²	182	77 Å²	77	85%	0.85	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-61.4	147.4	171.7	-67.9	-176.7	-8.3	0	0	111	G204	Q202-G204 PolarHBondContact O-N 3.2Å
203	N	84.6	Confident	91	Very high	146 Å²	146	82 Å²	82	78%	0.781	41%	0.414	S	S	*	.	S	Bend	trans	-66	124.2	178.6	-67.4	-27.3	0	0	0	109.7	K207	N203-K207 PolarHBondContact OD1-NZ 2.67Å
204	G	86.1	Confident	90.9	Very high	34 Å²	34	76.4 Å²	76.4	35%	0.351	39%	0.391	S	S	.	.	S	Bend	trans	175.2	178.9	-177.2	0	0	0	0	0	111.9	Q202 M206 K207 N208	Q202-G204 PolarHBondContact O-N 3.2Å; G204-M206 VanDerWaalsContact C-N 3.31Å; G204-M206 PolarHBondContact O-N 2.79Å; G204-K207 PolarHBondContact O-N 2.84Å; G204-N208 PolarHBondContact O-N 2.98Å
205	R	87.3	Confident	90.8	Very high	217 Å²	217	74.9 Å²	74.9	82%	0.819	38%	0.383	S	S	*	.	H	α-helix	trans	-58.1	-41.1	-175.5	-172.4	177.1	-179.8	179.5	0.3	113	N208 V209	R205-N208 PolarHBondContact O-N 3.39Å; R205-V209 HydrophobicContact CG-CG2 4.42Å; R205-V209 WeakPolarHBondContact O-CG2 3.48Å; R205-V209 PolarHBondContact O-N 2.92Å
206	M	88.4	Confident	90.8	Very high	138 Å²	138	75.9 Å²	75.9	68%	0.68	39%	0.388	S	S	*	.	H	α-helix	trans	-62.2	-45.2	-180	-175	178.2	71.1	0	0	112	G204 N208 V209 L210	G204-M206 VanDerWaalsContact C-N 3.31Å; G204-M206 PolarHBondContact O-N 2.79Å; M206-N208 VanDerWaalsContact C-N 3.31Å; M206-N208 PolarHBondContact O-N 3.02Å; M206-V209 PolarHBondContact O-N 3.28Å; M206-L210 WeakPolarHBondContact O-CB 3.36Å; M206-L210 PolarHBondContact O-N 3.01Å
207	K	91.1	Very high	90.7	Very high	18 Å²	18	75.9 Å²	75.9	8%	0.078	39%	0.385	C	S	.	.	H	α-helix	trans	-58.6	-44.9	175.8	-177.3	-179.6	-175.6	166.9	0	111	I198 L201 N203 G204 L210 S211 K284	I198-K207 HydrophobicContact CG2-CG 3.78Å; I198-K207 WeakPolarHBondContact O-CE 3.36Å; L201-K207 HydrophobicContact CB-CB 4.32Å; L201-K207 HydrophobicContact CB-CD 4.37Å; L201-K207 HydrophobicContact CB-CG 4.27Å; L201-K207 WeakPolarHBondContact O-CD 3.27Å; L201-K207 PolarHBondContact O-NZ 3.37Å; L201-K207 VanDerWaalsContact O-NZ 3.11Å; N203-K207 PolarHBondContact OD1-NZ 2.67Å; G204-K207 PolarHBondContact O-N 2.84Å; K207-L210 PolarHBondContact O-N 2.84Å; K207-S211 WeakPolarHBondContact O-CB 3.37Å; K207-S211 PolarHBondContact O-N 3.13Å; K207-K284 WeakPolarHBondContact CE-O 3.5Å; K207-K284 PolarHBondContact NZ-O 2.84Å
208	N	89.3	Confident	90.7	Very high	78 Å²	78	71.3 Å²	71.3	42%	0.417	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-48.5	-179.3	-67.1	-7.9	0	0	0	111.9	G204 R205 M206 L210 S211 E212	G204-N208 PolarHBondContact O-N 2.98Å; R205-N208 PolarHBondContact O-N 3.39Å; M206-N208 VanDerWaalsContact C-N 3.31Å; M206-N208 PolarHBondContact O-N 3.02Å; N208-L210 PolarHBondContact O-N 2.74Å; N208-S211 PolarHBondContact O-N 3.45Å; N208-E212 WeakPolarHBondContact O-CB 3.5Å; N208-E212 PolarHBondContact O-N 3.09Å
209	V	90.1	Very high	90.7	Very high	73 Å²	73	71.7 Å²	71.7	44%	0.442	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-45.2	178.8	172.9	0	0	0	0	111.1	R205 M206 E212 K213	R205-V209 HydrophobicContact CG-CG2 4.42Å; R205-V209 WeakPolarHBondContact O-CG2 3.48Å; R205-V209 PolarHBondContact O-N 2.92Å; M206-V209 PolarHBondContact O-N 3.28Å; V209-E212 PolarHBondContact O-N 3.37Å; V209-K213 WeakPolarHBondContact O-CG 3.15Å; V209-K213 PolarHBondContact O-N 2.91Å; V209-K213 VanDerWaalsContact O-N 3.08Å
210	L	92.8	Very high	90.8	Very high	76 Å²	76	73.6 Å²	73.6	40%	0.398	36%	0.362	S	S	.	.	H	α-helix	trans	-65.9	-42.4	179.2	-175.4	60.9	0	0	0	111.6	I198 L201 M206 K207 N208 E212 K213 V214	I198-L210 HydrophobicContact CD1-CD2 4.32Å; I198-L210 HydrophobicContact CD1-CG 3.9Å; I198-L210 HydrophobicContact CG1-CD2 3.95Å; I198-L210 HydrophobicContact CG1-CG 4.09Å; L201-L210 HydrophobicContact CD1-CD2 3.86Å; M206-L210 WeakPolarHBondContact O-CB 3.36Å; M206-L210 PolarHBondContact O-N 3.01Å; K207-L210 PolarHBondContact O-N 2.84Å; N208-L210 PolarHBondContact O-N 2.74Å; L210-E212 PolarHBondContact O-N 2.95Å; L210-K213 PolarHBondContact O-N 3.41Å; L210-V214 HydrophobicContact CD1-CG2 4.37Å; L210-V214 WeakPolarHBondContact O-CB 3.33Å; L210-V214 WeakPolarHBondContact O-CG2 3.31Å; L210-V214 PolarHBondContact O-N 2.84Å
211	S	92.6	Very high	90.8	Very high	6 Å²	6	66.8 Å²	66.8	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-56.7	-48.7	174.6	-175.7	0	0	0	0	111.1	K207 N208 K213 V214 H215 A285	K207-S211 WeakPolarHBondContact O-CB 3.37Å; K207-S211 PolarHBondContact O-N 3.13Å; N208-S211 PolarHBondContact O-N 3.45Å; S211-K213 PolarHBondContact O-N 2.85Å; S211-V214 PolarHBondContact O-N 3.48Å; S211-H215 WeakPolarHBondContact O-CB 3.44Å; S211-H215 PolarHBondContact O-N 2.49Å; S211-H215 PolarHBondContact O-ND1 3.23Å; S211-H215 PolarHBondContact OG-CE1 2.76Å; S211-H215 VanDerWaalsContact OG-CE1 3.31Å; S211-H215 PolarHBondContact OG-ND1 2.96Å; S211-A285 WeakPolarHBondContact CB-O 3.36Å; S211-A285 PolarHBondContact OG-O 2.99Å
212	E	91.3	Very high	91	Very high	85 Å²	85	64.7 Å²	64.7	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-46.2	178.9	-165.5	-176.6	157.3	0	0	111.8	N208 V209 L210 H215 L216 C263	N208-E212 WeakPolarHBondContact O-CB 3.5Å; N208-E212 PolarHBondContact O-N 3.09Å; V209-E212 PolarHBondContact O-N 3.37Å; L210-E212 PolarHBondContact O-N 2.95Å; E212-H215 PolarHBondContact O-N 3.49Å; E212-L216 HydrophobicContact CG-CD1 4.26Å; E212-L216 WeakPolarHBondContact O-CB 3.43Å; E212-L216 VanDerWaalsContact O-CG 3.31Å; E212-L216 WeakPolarHBondContact O-CG 3.33Å; E212-L216 PolarHBondContact O-N 3.05Å; E212-C263 HydrophobicContact CG-CB 3.89Å
213	K	91.3	Very high	91.3	Very high	138 Å²	138	56.4 Å²	56.4	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-63.3	-43.9	178.4	-67.6	-64.1	-177.6	-172.6	0	112.6	V209 L210 S211 M217	V209-K213 WeakPolarHBondContact O-CG 3.15Å; V209-K213 PolarHBondContact O-N 2.91Å; V209-K213 VanDerWaalsContact O-N 3.08Å; L210-K213 PolarHBondContact O-N 3.41Å; S211-K213 PolarHBondContact O-N 2.85Å; K213-M217 WeakPolarHBondContact O-CB 3.25Å; K213-M217 PolarHBondContact O-N 3.03Å
214	V	92.6	Very high	91.6	Very high	15 Å²	15	50.7 Å²	50.7	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-65.8	-45.4	178.5	163.3	0	0	0	0	111.2	L194 I198 L210 S211 M217 C218	L194-V214 HydrophobicContact CB-CG1 3.52Å; L194-V214 HydrophobicContact CB-CG2 4.39Å; L194-V214 HydrophobicContact CD1-CG1 3.94Å; L194-V214 HydrophobicContact CD1-CG2 4.29Å; L194-V214 HydrophobicContact CG-CG1 4.39Å; I198-V214 HydrophobicContact CD1-CB 3.86Å; I198-V214 HydrophobicContact CD1-CG1 4.14Å; I198-V214 HydrophobicContact CD1-CG2 3.76Å; L210-V214 HydrophobicContact CD1-CG2 4.37Å; L210-V214 WeakPolarHBondContact O-CB 3.33Å; L210-V214 WeakPolarHBondContact O-CG2 3.31Å; L210-V214 PolarHBondContact O-N 2.84Å; S211-V214 PolarHBondContact O-N 3.48Å; V214-M217 PolarHBondContact O-N 2.59Å; V214-C218 WeakPolarHBondContact O-CB 3.4Å; V214-C218 PolarHBondContact O-N 3.49Å; V214-C218 PolarHBondContact O-SG 3.44Å; V214-C218 VanDerWaalsContact O-SG 3.36Å
215	H	92.8	Very high	91.9	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-59.7	-51.2	176.4	-79.2	97.7	0	0	0	111.1	S211 E212 M217 C218 Y219	S211-H215 WeakPolarHBondContact O-CB 3.44Å; S211-H215 PolarHBondContact O-N 2.49Å; S211-H215 PolarHBondContact O-ND1 3.23Å; S211-H215 PolarHBondContact OG-CE1 2.76Å; S211-H215 VanDerWaalsContact OG-CE1 3.31Å; S211-H215 PolarHBondContact OG-ND1 2.96Å; E212-H215 PolarHBondContact O-N 3.49Å; H215-M217 VanDerWaalsContact C-N 3.32Å; H215-M217 PolarHBondContact O-N 2.7Å; H215-C218 PolarHBondContact O-N 3.39Å; H215-Y219 VanDerWaalsContact C-CD2 3.49Å; H215-Y219 HydrophobicContact CB-CD2 4.12Å; H215-Y219 HydrophobicContact CB-CE2 3.72Å; H215-Y219 AromaticContact CD2-CE2 3.97Å; H215-Y219 AromaticContact CD2-CZ 3.97Å; H215-Y219 WeakPolarHBondContact O-CB 3.02Å; H215-Y219 WeakPolarHBondContact O-CD2 3.49Å; H215-Y219 VanDerWaalsContact O-CG 3.26Å; H215-Y219 PolarHBondContact O-N 3.08Å
216	L	92.6	Very high	92.2	Very high	20 Å²	20	39.1 Å²	39.1	11%	0.105	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-47	177	-76.4	171.2	0	0	0	112	E212 R220	E212-L216 HydrophobicContact CG-CD1 4.26Å; E212-L216 WeakPolarHBondContact O-CB 3.43Å; E212-L216 VanDerWaalsContact O-CG 3.31Å; E212-L216 WeakPolarHBondContact O-CG 3.33Å; E212-L216 PolarHBondContact O-N 3.05Å; L216-R220 VanDerWaalsContact O-CB 3.29Å; L216-R220 WeakPolarHBondContact O-CB 3.39Å; L216-R220 WeakPolarHBondContact O-CD 3.24Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 2.58Å
217	M	92.5	Very high	92.4	Very high	36 Å²	36	34 Å²	34	18%	0.177	17%	0.169	C	C	.	.	H	α-helix	trans	-58.7	-52.2	177.8	179.1	-168.2	71.8	0	0	111.4	I36 L194 K213 V214 H215 Y219 R220 I221	I36-M217 HydrophobicContact CD1-SD 4.28Å; I36-M217 HydrophobicContact CG1-CG 3.85Å; I36-M217 HydrophobicContact CG1-SD 3.78Å; L194-M217 HydrophobicContact CD1-CE 3.58Å; K213-M217 WeakPolarHBondContact O-CB 3.25Å; K213-M217 PolarHBondContact O-N 3.03Å; V214-M217 PolarHBondContact O-N 2.59Å; H215-M217 VanDerWaalsContact C-N 3.32Å; H215-M217 PolarHBondContact O-N 2.7Å; M217-Y219 PolarHBondContact O-N 2.8Å; M217-R220 WeakPolarHBondContact O-CB 3.38Å; M217-R220 PolarHBondContact O-N 3.28Å; M217-I221 HydrophobicContact CG-CD1 4.18Å; M217-I221 WeakPolarHBondContact O-CG1 3.5Å; M217-I221 PolarHBondContact O-N 2.91Å
218	C	93.9	Very high	92.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.9	-42	-177.5	-68.9	0	0	0	0	111.9	L191 V214 H215 R220 I221 C222	L191-C218 HydrophobicContact CB-CB 3.88Å; L191-C218 HydrophobicContact CD1-CB 3.91Å; L191-C218 HydrophobicContact CG-CB 4.43Å; L191-C218 PolarHBondContact N-SG 2.9Å; V214-C218 WeakPolarHBondContact O-CB 3.4Å; V214-C218 PolarHBondContact O-N 3.49Å; V214-C218 PolarHBondContact O-SG 3.44Å; V214-C218 VanDerWaalsContact O-SG 3.36Å; H215-C218 PolarHBondContact O-N 3.39Å; C218-R220 VanDerWaalsContact C-N 3.35Å; C218-R220 PolarHBondContact O-N 3.06Å; C218-I221 PolarHBondContact O-N 3.18Å; C218-C222 PolarHBondContact O-N 3.25Å; C218-C222 PolarHBondContact O-SG 2.92Å; C218-C222 VanDerWaalsContact O-SG 3.32Å
219	Y	94.4	Very high	92.6	Very high	12 Å²	12	30.6 Å²	30.6	5%	0.047	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-41.6	174.9	-64.6	-46.8	0	0	0	111.8	L191 H215 M217 I221 C222 V223 I256 A259 M282	L191-Y219 HydrophobicContact CD2-CE1 4.49Å; H215-Y219 VanDerWaalsContact C-CD2 3.49Å; H215-Y219 HydrophobicContact CB-CD2 4.12Å; H215-Y219 HydrophobicContact CB-CE2 3.72Å; H215-Y219 AromaticContact CD2-CE2 3.97Å; H215-Y219 AromaticContact CD2-CZ 3.97Å; H215-Y219 WeakPolarHBondContact O-CB 3.02Å; H215-Y219 WeakPolarHBondContact O-CD2 3.49Å; H215-Y219 VanDerWaalsContact O-CG 3.26Å; H215-Y219 PolarHBondContact O-N 3.08Å; M217-Y219 PolarHBondContact O-N 2.8Å; Y219-I221 VanDerWaalsContact C-N 3.29Å; Y219-I221 PolarHBondContact O-N 3.22Å; Y219-C222 CarbonylContact O-C 3.56Å; Y219-C222 WeakPolarHBondContact O-CB 3.41Å; Y219-C222 PolarHBondContact O-N 3.36Å; Y219-C222 VanDerWaalsContact O-N 3.11Å; Y219-V223 WeakPolarHBondContact O-CG2 3.31Å; Y219-V223 PolarHBondContact O-N 3.39Å; Y219-I256 HydrophobicContact CD1-CB 4.45Å; Y219-I256 HydrophobicContact CD1-CG2 3.93Å; Y219-I256 HydrophobicContact CE1-CG2 4.31Å; Y219-A259 HydrophobicContact CD1-CB 4.31Å; Y219-A259 HydrophobicContact CD2-CB 3.45Å; Y219-A259 VanDerWaalsContact CD2-CB 3.45Å; Y219-A259 VanDerWaalsContact CD2-O 3.25Å; Y219-A259 WeakPolarHBondContact CD2-O 3.44Å; Y219-A259 HydrophobicContact CE1-CB 4.4Å; Y219-A259 HydrophobicContact CE2-CB 3.54Å; Y219-A259 HydrophobicContact CG-CB 3.85Å; Y219-M282 HydrophobicContact CE1-CE 4.27Å; Y219-M282 WeakPolarHBondContact OH-CE 3.33Å
220	R	92.8	Very high	92.8	Very high	64 Å²	64	28.6 Å²	28.6	24%	0.242	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-36.2	174.1	-75.6	172.2	179.5	-176.2	-1.8	112.8	A35 L216 M217 C218 V223 R224 S260	A35-R220 HydrophobicContact CB-CB 4.15Å; A35-R220 WeakPolarHBondContact O-CD 3.04Å; A35-R220 PolarHBondContact O-NH1 3.48Å; L216-R220 VanDerWaalsContact O-CB 3.29Å; L216-R220 WeakPolarHBondContact O-CB 3.39Å; L216-R220 WeakPolarHBondContact O-CD 3.24Å; L216-R220 WeakPolarHBondContact O-CG 3.32Å; L216-R220 PolarHBondContact O-N 2.58Å; M217-R220 WeakPolarHBondContact O-CB 3.38Å; M217-R220 PolarHBondContact O-N 3.28Å; C218-R220 VanDerWaalsContact C-N 3.35Å; C218-R220 PolarHBondContact O-N 3.06Å; R220-V223 VanDerWaalsContact O-CG2 3.31Å; R220-V223 WeakPolarHBondContact O-CG2 3.43Å; R220-R224 VanDerWaalsContact O-CD 3.27Å; R220-R224 WeakPolarHBondContact O-CD 3.33Å; R220-R224 WeakPolarHBondContact O-CG 3.41Å; R220-R224 PolarHBondContact O-N 3.08Å; R220-S260 PolarHBondContact NE-O 3.13Å; R220-S260 VanDerWaalsContact NE-O 3.12Å
221	I	91.8	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-46.1	172.5	-65.3	166	0	0	0	110.1	I32 A35 L190 M217 C218 Y219 V223 R224 A225	I32-I221 HydrophobicContact CG2-CD1 4.16Å; A35-I221 HydrophobicContact CB-CG1 4Å; L190-I221 HydrophobicContact CD1-CD1 4.2Å; M217-I221 HydrophobicContact CG-CD1 4.18Å; M217-I221 WeakPolarHBondContact O-CG1 3.5Å; M217-I221 PolarHBondContact O-N 2.91Å; C218-I221 PolarHBondContact O-N 3.18Å; Y219-I221 VanDerWaalsContact C-N 3.29Å; Y219-I221 PolarHBondContact O-N 3.22Å; I221-V223 PolarHBondContact O-N 3.46Å; I221-R224 WeakPolarHBondContact O-CA 3.13Å; I221-R224 WeakPolarHBondContact O-CB 3.37Å; I221-R224 PolarHBondContact O-N 3.44Å; I221-R224 VanDerWaalsContact O-N 3.11Å; I221-A225 PolarHBondContact O-N 2.89Å
222	C	94.3	Very high	93	Very high	16 Å²	16	30.7 Å²	30.7	11%	0.108	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-42	178.2	-68.4	0	0	0	0	113	C218 Y219 R224 A225 L226 I256	C218-C222 PolarHBondContact O-N 3.25Å; C218-C222 PolarHBondContact O-SG 2.92Å; C218-C222 VanDerWaalsContact O-SG 3.32Å; Y219-C222 CarbonylContact O-C 3.56Å; Y219-C222 WeakPolarHBondContact O-CB 3.41Å; Y219-C222 PolarHBondContact O-N 3.36Å; Y219-C222 VanDerWaalsContact O-N 3.11Å; C222-R224 VanDerWaalsContact C-N 3.29Å; C222-R224 PolarHBondContact O-N 2.89Å; C222-A225 VanDerWaalsContact O-CB 3.26Å; C222-A225 WeakPolarHBondContact O-CB 2.99Å; C222-A225 PolarHBondContact O-N 3.33Å; C222-L226 PolarHBondContact O-N 2.97Å; C222-I256 HydrophobicContact CB-CD1 4.1Å
223	V	94.1	Very high	93.3	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-29.7	175.1	-69.5	0	0	0	0	112	Y219 R220 I221 A225 L226 T227 A228 I230 I256 I257	Y219-V223 WeakPolarHBondContact O-CG2 3.31Å; Y219-V223 PolarHBondContact O-N 3.39Å; R220-V223 VanDerWaalsContact O-CG2 3.31Å; R220-V223 WeakPolarHBondContact O-CG2 3.43Å; I221-V223 PolarHBondContact O-N 3.46Å; V223-A225 VanDerWaalsContact C-N 3.32Å; V223-L226 PolarHBondContact O-N 3.49Å; V223-L226 VanDerWaalsContact O-N 3.08Å; V223-T227 PolarHBondContact O-N 3.02Å; V223-A228 HydrophobicContact CB-CB 3.84Å; V223-A228 VanDerWaalsContact O-CB 3.24Å; V223-A228 WeakPolarHBondContact O-CB 3.46Å; V223-A228 PolarHBondContact O-N 2.94Å; V223-I230 HydrophobicContact CB-CD1 4.43Å; V223-I230 HydrophobicContact CG1-CD1 4.28Å; V223-I256 HydrophobicContact CG1-CB 4.18Å; V223-I256 HydrophobicContact CG1-CD1 4.08Å; V223-I256 HydrophobicContact CG1-CG1 3.95Å; V223-I256 VanDerWaalsContact CG1-O 3.28Å; V223-I256 WeakPolarHBondContact CG1-O 3.32Å; V223-I257 HydrophobicContact CG1-CG1 4.29Å
224	R	91	Very high	93.6	Very high	25 Å²	25	25.3 Å²	25.3	9%	0.094	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-33.1	171.4	-73.6	166.6	-170.4	-138.9	-5.1	112.5	I31 P34 A35 V39 R220 I221 C222 L226 T227	I31-R224 HydrophobicContact CG2-CB 4.13Å; I31-R224 PolarHBondContact O-NH1 3.49Å; P34-R224 VanDerWaalsContact C-NH2 3.31Å; P34-R224 PolarHBondContact O-NH2 3.38Å; A35-R224 VanDerWaalsContact CA-NH1 3.26Å; A35-R224 VanDerWaalsContact CA-NH2 3.25Å; A35-R224 VanDerWaalsContact N-CZ 3.29Å; V39-R224 PolarHBondContact O-NH2 2.96Å; R220-R224 VanDerWaalsContact O-CD 3.27Å; R220-R224 WeakPolarHBondContact O-CD 3.33Å; R220-R224 WeakPolarHBondContact O-CG 3.41Å; R220-R224 PolarHBondContact O-N 3.08Å; I221-R224 WeakPolarHBondContact O-CA 3.13Å; I221-R224 WeakPolarHBondContact O-CB 3.37Å; I221-R224 PolarHBondContact O-N 3.44Å; I221-R224 VanDerWaalsContact O-N 3.11Å; C222-R224 VanDerWaalsContact C-N 3.29Å; C222-R224 PolarHBondContact O-N 2.89Å; R224-L226 PolarHBondContact O-N 3.46Å; R224-T227 PolarHBondContact O-N 2.89Å
225	A	93.1	Very high	93.7	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-17.5	170.4	0	0	0	0	0	113	R180 L183 A184 I221 C222 V223	R180-A225 WeakPolarHBondContact CB-O 3.34Å; R180-A225 VanDerWaalsContact CD-O 3.23Å; R180-A225 WeakPolarHBondContact CD-O 3.38Å; R180-A225 WeakPolarHBondContact CG-O 2.94Å; R180-A225 WeakPolarHBondContact O-CB 3.43Å; L183-A225 HydrophobicContact CB-CB 3.71Å; A184-A225 HydrophobicContact CB-CB 3.87Å; I221-A225 PolarHBondContact O-N 2.89Å; C222-A225 VanDerWaalsContact O-CB 3.26Å; C222-A225 WeakPolarHBondContact O-CB 2.99Å; C222-A225 PolarHBondContact O-N 3.33Å; V223-A225 VanDerWaalsContact C-N 3.32Å
226	L	93.8	Very high	93.8	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.5	171.3	-59.7	-178.3	0	0	0	112.9	C222 V223 R224 A228 I253 I256 M376 M377 I382	C222-L226 PolarHBondContact O-N 2.97Å; V223-L226 PolarHBondContact O-N 3.49Å; V223-L226 VanDerWaalsContact O-N 3.08Å; R224-L226 PolarHBondContact O-N 3.46Å; L226-A228 HydrophobicContact CB-CB 4.46Å; L226-A228 PolarHBondContact O-N 2.94Å; L226-I253 HydrophobicContact CD1-CB 3.98Å; L226-I253 HydrophobicContact CD1-CD1 3.96Å; L226-I253 HydrophobicContact CD1-CG1 4.48Å; L226-I253 HydrophobicContact CD1-CG2 3.83Å; L226-I256 HydrophobicContact CD1-CD1 3.89Å; L226-M376 HydrophobicContact CD2-CB 3.94Å; L226-M377 HydrophobicContact CD2-CG 3.86Å; L226-I382 HydrophobicContact CB-CG1 4.03Å; L226-I382 PolarHBondContact O-N 2.78Å
227	T	92.3	Very high	94.1	Very high	31 Å²	31	34 Å²	34	19%	0.19	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	45.7	-162.8	-53.3	0	0	0	0	110	Y47 R180 V223 R224 I229 A381 I382	Y47-T227 HydrophobicContact CE1-CG2 4.3Å; R180-T227 VanDerWaalsContact CZ-OG1 3.25Å; R180-T227 PolarHBondContact NE-OG1 3.31Å; R180-T227 PolarHBondContact NH2-OG1 3.44Å; V223-T227 PolarHBondContact O-N 3.02Å; R224-T227 PolarHBondContact O-N 2.89Å; T227-I229 PolarHBondContact O-N 2.85Å; T227-A381 HydrophobicContact CG2-CB 4.11Å; T227-A381 WeakPolarHBondContact O-CB 3.19Å; T227-I382 PolarHBondContact O-N 3.35Å
228	A	92.9	Very high	94.3	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	133.4	-180	0	0	0	0	0	110	R44 V223 L226 I230 I382	R44-A228 PolarHBondContact NH1-O 3.36Å; V223-A228 HydrophobicContact CB-CB 3.84Å; V223-A228 VanDerWaalsContact O-CB 3.24Å; V223-A228 WeakPolarHBondContact O-CB 3.46Å; V223-A228 PolarHBondContact O-N 2.94Å; L226-A228 HydrophobicContact CB-CB 4.46Å; L226-A228 PolarHBondContact O-N 2.94Å; A228-I230 HydrophobicContact CB-CD1 4.14Å; A228-I230 HydrophobicContact CB-CG1 4.08Å; A228-I382 CarbonylContact C-O 3.54Å; A228-I382 WeakPolarHBondContact CA-O 3.46Å
229	I	91.7	Very high	94.4	Very high	22 Å²	22	35.9 Å²	35.9	11%	0.113	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105.2	173.8	-52.9	173.2	0	0	0	106.1	R44 M48 T227 I382 V383 C384	R44-I229 HydrophobicContact CB-CD1 4.06Å; R44-I229 HydrophobicContact CB-CG1 4.41Å; M48-I229 HydrophobicContact CG-CD1 3.34Å; M48-I229 HydrophobicContact SD-CB 4.05Å; M48-I229 HydrophobicContact SD-CD1 3.37Å; M48-I229 WeakPolarHBondContact SD-CD1 3.49Å; M48-I229 HydrophobicContact SD-CG1 4.28Å; M48-I229 HydrophobicContact SD-CG2 3.64Å; T227-I229 PolarHBondContact O-N 2.85Å; I229-I382 PolarHBondContact N-O 2.93Å; I229-V383 HydrophobicContact CB-CG2 4.26Å; I229-V383 HydrophobicContact CD1-CG2 4.37Å; I229-V383 WeakPolarHBondContact O-CA 3.15Å; I229-C384 PolarHBondContact O-N 2.8Å
230	I	93.8	Very high	94.5	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.159	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.6	-169.3	-48	163	0	0	0	107.3	V223 A228 Y232 I257 C384 V386	V223-I230 HydrophobicContact CB-CD1 4.43Å; V223-I230 HydrophobicContact CG1-CD1 4.28Å; A228-I230 HydrophobicContact CB-CD1 4.14Å; A228-I230 HydrophobicContact CB-CG1 4.08Å; I230-Y232 HydrophobicContact CB-CE2 3.81Å; I230-Y232 VanDerWaalsContact CD1-OH 3.31Å; I230-Y232 WeakPolarHBondContact CD1-OH 3.38Å; I230-Y232 HydrophobicContact CG2-CD1 4.17Å; I230-Y232 HydrophobicContact CG2-CD2 4.17Å; I230-Y232 HydrophobicContact CG2-CE1 3.61Å; I230-Y232 HydrophobicContact CG2-CE2 3.6Å; I230-Y232 HydrophobicContact CG2-CG 4.43Å; I230-I257 HydrophobicContact CD1-CB 4.27Å; I230-I257 HydrophobicContact CD1-CG1 4.12Å; I230-I257 HydrophobicContact CD1-CG2 3.99Å; I230-I257 HydrophobicContact CG1-CG2 4.32Å; I230-I257 HydrophobicContact CG2-CG2 4.19Å; I230-C384 WeakPolarHBondContact CA-O 3.4Å; I230-V386 HydrophobicContact CG2-CB 4.44Å; I230-V386 HydrophobicContact CG2-CG2 3.7Å
231	T	94.8	Very high	94.6	Very high	67 Å²	67	41.9 Å²	41.9	41%	0.411	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.1	172.5	-49.5	0	0	0	0	108.2	H233 C384 S385 V386	T231-H233 WeakPolarHBondContact CG2-NE2 3.29Å; T231-H233 PolarHBondContact O-CD2 3.47Å; T231-H233 VanDerWaalsContact O-CD2 3.31Å; T231-C384 PolarHBondContact N-O 3.33Å; T231-S385 CarbonylContact O-C 3.51Å; T231-S385 WeakPolarHBondContact O-CA 3.48Å; T231-V386 PolarHBondContact O-N 2.7Å
232	Y	95.8	Very high	94.6	Very high	59 Å²	59	42.2 Å²	42.2	23%	0.231	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	133.2	176	-60.5	-80.3	0	0	0	109.7	I230 I257 S260 D261 V386 Y388	I230-Y232 HydrophobicContact CB-CE2 3.81Å; I230-Y232 VanDerWaalsContact CD1-OH 3.31Å; I230-Y232 WeakPolarHBondContact CD1-OH 3.38Å; I230-Y232 HydrophobicContact CG2-CD1 4.17Å; I230-Y232 HydrophobicContact CG2-CD2 4.17Å; I230-Y232 HydrophobicContact CG2-CE1 3.61Å; I230-Y232 HydrophobicContact CG2-CE2 3.6Å; I230-Y232 HydrophobicContact CG2-CG 4.43Å; Y232-I257 PolarHBondContact OH-O 3.2Å; Y232-S260 PolarHBondContact OH-OG 3.17Å; Y232-D261 HydrophobicContact CD1-CB 3.92Å; Y232-D261 VanDerWaalsContact CD1-OD2 3.27Å; Y232-D261 WeakPolarHBondContact CD1-OD2 3.48Å; Y232-D261 HydrophobicContact CD2-CB 4.19Å; Y232-D261 HydrophobicContact CE1-CB 3.4Å; Y232-D261 HydrophobicContact CE2-CB 3.7Å; Y232-D261 HydrophobicContact CG-CB 4.29Å; Y232-V386 CarbonylContact C-O 3.58Å; Y232-V386 WeakPolarHBondContact CA-O 2.98Å; Y232-V386 HydrophobicContact CD1-CB 3.73Å; Y232-V386 HydrophobicContact CD1-CG1 3.94Å; Y232-V386 HydrophobicContact CD1-CG2 4.28Å; Y232-V386 HydrophobicContact CE1-CB 4Å; Y232-V386 HydrophobicContact CE1-CG1 4.18Å; Y232-V386 HydrophobicContact CE1-CG2 4.05Å; Y232-Y388 AromaticContact CD1-CE2 3.81Å; Y232-Y388 HydrophobicContact CD1-CE2 3.81Å; Y232-Y388 HydrophobicContact CG-CE2 4.48Å
233	H	97.4	Very high	94.7	Very high	56 Å²	56	41.5 Å²	41.5	26%	0.259	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.2	179.7	-58.8	-90.4	0	0	0	109.6	T231 S235 S385 V386 W387 Y388	T231-H233 WeakPolarHBondContact CG2-NE2 3.29Å; T231-H233 PolarHBondContact O-CD2 3.47Å; T231-H233 VanDerWaalsContact O-CD2 3.31Å; H233-S235 PolarHBondContact O-N 2.73Å; H233-S385 PolarHBondContact NE2-OG 3.43Å; H233-V386 PolarHBondContact N-O 2.71Å; H233-W387 HydrophobicContact CB-CB 4.44Å; H233-W387 HydrophobicContact CB-CG 3.91Å; H233-W387 AromaticContact CD2-CD1 3.67Å; H233-W387 AromaticContact CD2-CD2 3.97Å; H233-W387 AromaticContact CD2-CE2 3.54Å; H233-W387 AromaticContact CD2-NE1 3.32Å; H233-W387 PolarHBondContact CD2-NE1 3.5Å; H233-W387 VanDerWaalsContact CD2-NE1 3.32Å; H233-W387 AromaticContact CG-CD1 3.45Å; H233-W387 VanDerWaalsContact CG-CD1 3.45Å; H233-W387 AromaticContact CG-NE1 3.34Å; H233-W387 VanDerWaalsContact CG-NE1 3.34Å; H233-W387 AromaticContact ND1-NE1 3.8Å; H233-W387 AromaticContact NE2-CE2 3.88Å; H233-W387 AromaticContact NE2-CZ2 3.99Å; H233-W387 AromaticContact NE2-NE1 3.79Å; H233-Y388 WeakPolarHBondContact O-CD2 3.26Å; H233-Y388 PolarHBondContact O-N 2.83Å
234	D	97.3	Very high	94.9	Very high	55 Å²	55	41.1 Å²	41.1	29%	0.294	21%	0.209	S	C	.	.			trans	59.9	43	169.9	-47.4	-30.7	0	0	0	112.7	E236 N237 Y388 K414	D234-E236 VanDerWaalsContact C-CD 3.49Å; D234-E236 WeakPolarHBondContact CA-OE1 3.23Å; D234-E236 WeakPolarHBondContact CA-OE2 3.31Å; D234-E236 PolarHBondContact O-N 3.03Å; D234-N237 PolarHBondContact O-N 3.13Å; D234-Y388 VanDerWaalsContact CB-O 3.28Å; D234-Y388 WeakPolarHBondContact CB-O 3.42Å; D234-Y388 WeakPolarHBondContact O-CB 3.46Å; D234-K414 IonicContact OD2-NZ 2.67Å; D234-K414 PolarHBondContact OD2-NZ 2.89Å
235	S	94.6	Very high	95.2	Very high	54 Å²	54	39.9 Å²	39.9	38%	0.378	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-60.4	-17.6	-172.5	-72	0	0	0	0	115.1	H233 N237 K238	H233-S235 PolarHBondContact O-N 2.73Å; S235-N237 PolarHBondContact O-N 3.39Å; S235-K238 WeakPolarHBondContact O-CB 3.24Å; S235-K238 WeakPolarHBondContact O-CG 3.37Å; S235-K238 PolarHBondContact O-N 3.41Å
236	E	96.1	Very high	95.4	Very high	134 Å²	134	39.8 Å²	39.8	63%	0.626	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-60.6	-25.3	171.2	66.2	-78.3	-178.8	0	0	113	D234 K238	D234-E236 VanDerWaalsContact C-CD 3.49Å; D234-E236 WeakPolarHBondContact CA-OE1 3.23Å; D234-E236 WeakPolarHBondContact CA-OE2 3.31Å; D234-E236 PolarHBondContact O-N 3.03Å; E236-K238 VanDerWaalsContact C-N 3.33Å
237	N	97.7	Very high	95.7	Very high	33 Å²	33	39.5 Å²	39.5	18%	0.176	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-92.3	13.4	179.7	-61.8	-47.2	0	0	0	113.5	D234 S235 Y388 L389	D234-N237 PolarHBondContact O-N 3.13Å; S235-N237 PolarHBondContact O-N 3.39Å; N237-Y388 WeakPolarHBondContact CB-O 3.35Å; N237-Y388 PolarHBondContact ND2-O 3.02Å; N237-L389 WeakPolarHBondContact CB-O 3.39Å
238	K	96.8	Very high	95.9	Very high	59 Å²	59	38.1 Å²	38.1	26%	0.257	19%	0.194	S	C	.	.			trans	-55.3	142.7	-179.8	-85.1	176.6	-178.9	-165	0	112.1	S235 E236 K240 D261 Y388	S235-K238 WeakPolarHBondContact O-CB 3.24Å; S235-K238 WeakPolarHBondContact O-CG 3.37Å; S235-K238 PolarHBondContact O-N 3.41Å; E236-K238 VanDerWaalsContact C-N 3.33Å; K238-K240 PolarHBondContact O-N 3.21Å; K238-D261 WeakPolarHBondContact CE-OD2 3.21Å; K238-D261 PolarHBondContact NZ-O 2.72Å; K238-D261 IonicContact NZ-OD1 2.59Å; K238-D261 PolarHBondContact NZ-OD1 3.49Å; K238-D261 IonicContact NZ-OD2 3.2Å; K238-D261 PolarHBondContact NZ-OD2 2.84Å; K238-Y388 HydrophobicContact CD-CE2 4.44Å; K238-Y388 HydrophobicContact CG-CD1 4.17Å; K238-Y388 HydrophobicContact CG-CD2 3.89Å; K238-Y388 HydrophobicContact CG-CE1 4.15Å; K238-Y388 HydrophobicContact CG-CE2 3.84Å; K238-Y388 HydrophobicContact CG-CG 4.07Å
239	P	96.9	Very high	96.1	Very high	18 Å²	18	39.3 Å²	39.3	12%	0.117	20%	0.199	C	C	.	.			trans	-56.3	134.1	178.6	-26.5	36.2	0	0	0	112.6	C245 Y264 P317 Y347	P239-C245 HydrophobicContact CB-CB 3.92Å; P239-C245 HydrophobicContact CG-CB 3.64Å; P239-Y264 HydrophobicContact CB-CE1 3.96Å; P239-Y264 HydrophobicContact CG-CE1 3.83Å; P239-P317 HydrophobicContact CB-CB 3.97Å; P239-P317 HydrophobicContact CB-CG 4.04Å; P239-Y347 HydrophobicContact CB-CD1 4.42Å; P239-Y347 HydrophobicContact CB-CD2 4.26Å; P239-Y347 HydrophobicContact CB-CG 3.96Å; P239-Y347 HydrophobicContact CG-CG 4.24Å
240	K	95.4	Very high	96.3	Very high	129 Å²	129	38.3 Å²	38.3	56%	0.561	19%	0.194	S	C	*	.			trans	-109.6	156.3	179.9	-55.1	-179.2	-178.9	173.8	0	111	K238 G243 Y347	K238-K240 PolarHBondContact O-N 3.21Å; K240-G243 PolarHBondContact O-N 2.95Å; K240-Y347 WeakPolarHBondContact CB-OH 3.49Å; K240-Y347 HydrophobicContact CG-CE1 4.21Å
241	N	94.8	Very high	96.4	Very high	72 Å²	72	36.9 Å²	36.9	39%	0.385	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	143	178.2	-71.5	9.6	0	0	0	112.3	G243 K313 K315 P317	N241-G243 VanDerWaalsContact C-N 3.28Å; N241-G243 PolarHBondContact O-N 2.65Å; N241-K313 VanDerWaalsContact CB-O 3.22Å; N241-K313 WeakPolarHBondContact CB-O 3.09Å; N241-K313 PolarHBondContact ND2-O 3.38Å; N241-K315 VanDerWaalsContact CB-O 3.26Å; N241-K315 WeakPolarHBondContact CB-O 3.35Å; N241-K315 PolarHBondContact ND2-O 2.99Å; N241-K315 PolarHBondContact OD1-O 3.49Å; N241-P317 WeakPolarHBondContact OD1-CD 3.48Å
242	G	93.2	Very high	96.4	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	28.7	-175.3	0	0	0	0	0	114.5	V310 K313	G242-V310 WeakPolarHBondContact CA-O 3.38Å; G242-V310 WeakPolarHBondContact O-CG1 3.32Å; G242-K313 PolarHBondContact O-NZ 3.39Å
243	G	95.6	Very high	96.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	17%	0.167	C	C	.	.	S	Bend	trans	-130.2	178.8	166.3	0	0	0	0	0	111.8	K240 N241 P317 I318 T345	K240-G243 PolarHBondContact O-N 2.95Å; N241-G243 VanDerWaalsContact C-N 3.28Å; N241-G243 PolarHBondContact O-N 2.65Å; G243-P317 WeakPolarHBondContact O-CA 3.43Å; G243-I318 PolarHBondContact O-N 2.76Å; G243-I318 VanDerWaalsContact O-N 3.13Å; G243-T345 WeakPolarHBondContact CA-O 3.08Å
244	I	97.6	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.2	-178.9	-55.4	178.2	0	0	0	109	V246 V310 I318 I320 I342 A344 T345 V346 Y347	I244-V246 HydrophobicContact CG2-CG2 4Å; I244-V310 HydrophobicContact CD1-CG2 4.26Å; I244-V310 HydrophobicContact CG1-CG2 3.94Å; I244-I318 CarbonylContact C-O 3.58Å; I244-I318 WeakPolarHBondContact CA-O 3.46Å; I244-I318 HydrophobicContact CG1-CB 4.5Å; I244-I320 HydrophobicContact CG2-CB 4.28Å; I244-I320 HydrophobicContact CG2-CD1 3.92Å; I244-I320 HydrophobicContact CG2-CG1 4.26Å; I244-I342 HydrophobicContact CD1-CD1 4.08Å; I244-A344 HydrophobicContact CD1-CB 3.76Å; I244-A344 HydrophobicContact CG1-CB 3.87Å; I244-T345 PolarHBondContact N-O 3.45Å; I244-V346 CarbonylContact O-C 3.57Å; I244-V346 WeakPolarHBondContact O-CA 3.33Å; I244-Y347 PolarHBondContact O-N 3.32Å
245	C	98.1	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	121.8	166.9	-177.8	0	0	0	0	109.5	P239 Y264 I318 L319 I320 Y347	P239-C245 HydrophobicContact CB-CB 3.92Å; P239-C245 HydrophobicContact CG-CB 3.64Å; C245-Y264 HydrophobicContact CB-CD1 4.06Å; C245-Y264 HydrophobicContact CB-CE1 3.85Å; C245-I318 PolarHBondContact N-O 3.45Å; C245-L319 HydrophobicContact CB-CD1 4.07Å; C245-I320 PolarHBondContact O-N 3.24Å; C245-Y347 WeakPolarHBondContact CA-O 3.41Å
246	V	98	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126.2	178.3	165.4	0	0	0	0	109.3	I244 I320 P322 F335 F340 V346 Y347 P348 V349 V407 I411	I244-V246 HydrophobicContact CG2-CG2 4Å; V246-I320 WeakPolarHBondContact CA-O 3.33Å; V246-P322 HydrophobicContact CG1-CG 3.57Å; V246-F335 HydrophobicContact CG1-CD2 4.2Å; V246-F335 HydrophobicContact CG1-CE2 3.54Å; V246-F335 HydrophobicContact CG1-CZ 4.17Å; V246-F340 HydrophobicContact CG1-CZ 4.13Å; V246-F340 HydrophobicContact CG2-CE1 4.43Å; V246-F340 HydrophobicContact CG2-CZ 4.16Å; V246-V346 HydrophobicContact CB-CG1 3.84Å; V246-V346 HydrophobicContact CG2-CG1 3.67Å; V246-Y347 PolarHBondContact N-O 3.12Å; V246-P348 CarbonylContact O-C 3.48Å; V246-P348 WeakPolarHBondContact O-CA 3.42Å; V246-V349 PolarHBondContact O-N 2.98Å; V246-V407 HydrophobicContact CG1-CG1 4.09Å; V246-I411 HydrophobicContact CG1-CD1 4Å
247	A	98.2	Very high	96.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	154.8	178.4	0	0	0	0	0	112.8	L258 I320 F321 V349 I351	A247-L258 HydrophobicContact CB-CD1 4.07Å; A247-I320 PolarHBondContact N-O 2.87Å; A247-F321 HydrophobicContact CB-CD1 4.05Å; A247-F321 HydrophobicContact CB-CE1 3.74Å; A247-F321 WeakPolarHBondContact O-CD1 3.23Å; A247-V349 VanDerWaalsContact CA-O 3.26Å; A247-V349 WeakPolarHBondContact CA-O 3.22Å; A247-V349 HydrophobicContact CB-CB 4.08Å; A247-I351 HydrophobicContact CB-CD1 4.33Å
248	N	97.9	Very high	96.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.103	C	C	.	.			trans	-65.5	152.9	164.5	65.3	-68.3	0	0	0	110.6	E323 N329 V332 A350 I351 I411 L417	N248-E323 WeakPolarHBondContact CA-OE1 2.97Å; N248-E323 WeakPolarHBondContact CB-OE1 3.09Å; N248-N329 PolarHBondContact ND2-ND2 3.06Å; N248-V332 HydrophobicContact CB-CG1 4.33Å; N248-V332 HydrophobicContact CB-CG2 3.97Å; N248-A350 WeakPolarHBondContact OD1-CA 3.38Å; N248-I351 PolarHBondContact ND2-O 3.17Å; N248-I351 PolarHBondContact OD1-N 2.47Å; N248-I411 HydrophobicContact CB-CG2 3.98Å; N248-L417 HydrophobicContact CB-CD1 4.38Å
249	H	96.3	Very high	96.3	Very high	27 Å²	27	17.5 Å²	17.5	13%	0.125	9%	0.092	C	C	.	.			trans	-126.7	109.7	-166.8	-161.5	31.1	0	0	0	113.6	S251 D254 F321 E323 C326 I327	H249-S251 PolarHBondContact CE1-O 3.11Å; H249-S251 PolarHBondContact ND1-O 3.39Å; H249-D254 WeakPolarHBondContact CA-OD2 3.26Å; H249-D254 IonicContact CE1-OD2 3.63Å; H249-D254 IonicContact CG-OD2 3.75Å; H249-D254 IonicContact ND1-OD2 3.72Å; H249-D254 PolarHBondContact ND1-OD2 2.89Å; H249-F321 HydrophobicContact CB-CB 3.76Å; H249-F321 HydrophobicContact CB-CD1 3.65Å; H249-F321 HydrophobicContact CB-CG 3.94Å; H249-F321 AromaticContact CE1-CG 4Å; H249-F321 AromaticContact CG-CD1 3.65Å; H249-F321 AromaticContact CG-CG 3.62Å; H249-F321 AromaticContact ND1-CD1 3.47Å; H249-F321 WeakPolarHBondContact ND1-CD1 3.39Å; H249-F321 AromaticContact ND1-CE1 3.8Å; H249-F321 AromaticContact ND1-CG 3.57Å; H249-E323 PolarHBondContact N-OE1 3.17Å; H249-C326 PolarHBondContact NE2-SG 3.49Å; H249-C326 WeakPolarHBondContact O-CA 3.45Å; H249-I327 WeakPolarHBondContact O-CG1 3.28Å; H249-I327 PolarHBondContact O-N 3.37Å
250	T	96.8	Very high	96.1	Very high	2 Å²	2	17 Å²	17	1%	0.012	9%	0.089	C	C	.	.	S	Bend	trans	-107	-28.7	178.4	-64.4	0	0	0	0	112.5	D254 C326 I327 N329 Y353 A360 F361 W362	T250-D254 PolarHBondContact N-OD2 3.34Å; T250-C326 WeakPolarHBondContact O-CB 3.45Å; T250-I327 VanDerWaalsContact CA-O 3.26Å; T250-I327 WeakPolarHBondContact CA-O 3.21Å; T250-I327 PolarHBondContact OG1-O 2.84Å; T250-N329 HydrophobicContact CG2-CB 3.93Å; T250-N329 WeakPolarHBondContact OG1-CB 3.24Å; T250-N329 PolarHBondContact OG1-ND2 3.3Å; T250-Y353 HydrophobicContact CG2-CD2 4Å; T250-Y353 HydrophobicContact CG2-CE2 4.03Å; T250-A360 HydrophobicContact CG2-CB 4.29Å; T250-F361 HydrophobicContact CG2-CB 4.23Å; T250-W362 PolarHBondContact O-N 3.19Å; T250-W362 VanDerWaalsContact O-N 3.13Å
251	S	96	Very high	96	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.			trans	-160.8	154.3	-172.9	174.5	0	0	0	0	113.9	H249 I253 D254 A360 Y372	H249-S251 PolarHBondContact CE1-O 3.11Å; H249-S251 PolarHBondContact ND1-O 3.39Å; S251-I253 PolarHBondContact O-N 3.48Å; S251-I253 VanDerWaalsContact O-N 3.08Å; S251-I253 WeakPolarHBondContact OG-CG1 3.41Å; S251-I253 PolarHBondContact OG-N 3.31Å; S251-D254 PolarHBondContact N-OD2 3.39Å; S251-D254 WeakPolarHBondContact O-CB 3.48Å; S251-D254 PolarHBondContact O-N 3Å; S251-A360 VanDerWaalsContact CB-O 3.32Å; S251-A360 WeakPolarHBondContact CB-O 3.33Å; S251-Y372 WeakPolarHBondContact CB-OH 3.48Å; S251-Y372 WeakPolarHBondContact OG-CE1 3.41Å; S251-Y372 VanDerWaalsContact OG-CZ 3.23Å; S251-Y372 PolarHBondContact OG-OH 3.38Å
252	P	94	Very high	95.8	Very high	33 Å²	33	9.8 Å²	9.8	21%	0.214	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-26	166.2	-26	36.4	0	0	0	114.1	D254 V255 W362 M369	P252-D254 PolarHBondContact O-N 3.42Å; P252-V255 PolarHBondContact O-N 3.19Å; P252-W362 HydrophobicContact CG-CB 4.5Å; P252-W362 HydrophobicContact CG-CD2 3.66Å; P252-W362 HydrophobicContact CG-CE3 3.11Å; P252-W362 HydrophobicContact CG-CG 4.29Å; P252-W362 HydrophobicContact CG-CH2 4.22Å; P252-W362 HydrophobicContact CG-CZ3 3.42Å; P252-W362 VanDerWaalsContact CG-CZ3 3.42Å; P252-M369 HydrophobicContact CB-CE 4.24Å; P252-M369 HydrophobicContact CG-CE 4.23Å
253	I	96.3	Very high	95.8	Very high	4 Å²	4	10 Å²	10	2%	0.021	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.1	177.7	75.8	-174.3	0	0	0	112.8	L226 S251 V255 I256 I257 A360 Y372 L373 I382	L226-I253 HydrophobicContact CD1-CB 3.98Å; L226-I253 HydrophobicContact CD1-CD1 3.96Å; L226-I253 HydrophobicContact CD1-CG1 4.48Å; L226-I253 HydrophobicContact CD1-CG2 3.83Å; S251-I253 PolarHBondContact O-N 3.48Å; S251-I253 VanDerWaalsContact O-N 3.08Å; S251-I253 WeakPolarHBondContact OG-CG1 3.41Å; S251-I253 PolarHBondContact OG-N 3.31Å; I253-V255 PolarHBondContact O-N 2.89Å; I253-I256 HydrophobicContact CB-CD1 4.38Å; I253-I256 HydrophobicContact CB-CG1 4.16Å; I253-I256 WeakPolarHBondContact O-CG1 3.38Å; I253-I256 PolarHBondContact O-N 3.5Å; I253-I257 HydrophobicContact CD1-CD1 4.22Å; I253-I257 HydrophobicContact CG1-CD1 3.87Å; I253-I257 WeakPolarHBondContact O-CG1 3.36Å; I253-I257 PolarHBondContact O-N 3.21Å; I253-A360 HydrophobicContact CD1-CB 4.48Å; I253-Y372 HydrophobicContact CG2-CE1 4.05Å; I253-L373 HydrophobicContact CG2-CD2 4.05Å; I253-I382 HydrophobicContact CD1-CG1 4.42Å; I253-I382 HydrophobicContact CD1-CG2 3.99Å
254	D	97.3	Very high	95.8	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-54	-36.4	174.4	-61.8	-21	0	0	0	110.6	H249 T250 S251 P252 I257 L258 F321 I351 Y353	H249-D254 WeakPolarHBondContact CA-OD2 3.26Å; H249-D254 IonicContact CE1-OD2 3.63Å; H249-D254 IonicContact CG-OD2 3.75Å; H249-D254 IonicContact ND1-OD2 3.72Å; H249-D254 PolarHBondContact ND1-OD2 2.89Å; T250-D254 PolarHBondContact N-OD2 3.34Å; S251-D254 PolarHBondContact N-OD2 3.39Å; S251-D254 WeakPolarHBondContact O-CB 3.48Å; S251-D254 PolarHBondContact O-N 3Å; P252-D254 PolarHBondContact O-N 3.42Å; D254-I257 PolarHBondContact O-N 3.06Å; D254-L258 WeakPolarHBondContact O-CG 3.35Å; D254-L258 PolarHBondContact O-N 2.97Å; D254-F321 HydrophobicContact CB-CE1 3.69Å; D254-F321 HydrophobicContact CB-CE2 4.5Å; D254-F321 HydrophobicContact CB-CZ 3.54Å; D254-I351 HydrophobicContact CB-CD1 4.13Å; D254-Y353 WeakPolarHBondContact OD1-CE2 3.49Å; D254-Y353 PolarHBondContact OD1-OH 2.92Å
255	V	95.4	Very high	95.6	Very high	33 Å²	33	10.3 Å²	10.3	20%	0.2	6%	0.062	C	C	.	.	H	α-helix	trans	-57	-53.3	176.2	175.8	0	0	0	0	110.9	P252 I253 I257 A259 M266 F321	P252-V255 PolarHBondContact O-N 3.19Å; I253-V255 PolarHBondContact O-N 2.89Å; V255-I257 VanDerWaalsContact C-N 3.34Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.34Å; V255-M266 HydrophobicContact CG1-CG 4.35Å; V255-M266 HydrophobicContact CG1-SD 3.43Å; V255-M266 WeakPolarHBondContact CG1-SD 3.43Å; V255-F321 HydrophobicContact CG2-CE2 3.83Å; V255-F321 HydrophobicContact CG2-CZ 4.46Å
256	I	95.6	Very high	95.3	Very high	36 Å²	36	11.4 Å²	11.4	19%	0.185	7%	0.067	C	C	.	.	H	α-helix	trans	-74.8	-25.9	-177	62.2	167.7	0	0	0	112.3	Y219 C222 V223 L226 I253 S260	Y219-I256 HydrophobicContact CD1-CB 4.45Å; Y219-I256 HydrophobicContact CD1-CG2 3.93Å; Y219-I256 HydrophobicContact CE1-CG2 4.31Å; C222-I256 HydrophobicContact CB-CD1 4.1Å; V223-I256 HydrophobicContact CG1-CB 4.18Å; V223-I256 HydrophobicContact CG1-CD1 4.08Å; V223-I256 HydrophobicContact CG1-CG1 3.95Å; V223-I256 VanDerWaalsContact CG1-O 3.28Å; V223-I256 WeakPolarHBondContact CG1-O 3.32Å; L226-I256 HydrophobicContact CD1-CD1 3.89Å; I253-I256 HydrophobicContact CB-CD1 4.38Å; I253-I256 HydrophobicContact CB-CG1 4.16Å; I253-I256 WeakPolarHBondContact O-CG1 3.38Å; I253-I256 PolarHBondContact O-N 3.5Å; I256-S260 VanDerWaalsContact O-CB 3.3Å; I256-S260 WeakPolarHBondContact O-CB 3.43Å; I256-S260 PolarHBondContact O-N 2.92Å; I256-S260 PolarHBondContact O-OG 3.22Å
257	I	96.8	Very high	95	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.9	-51.9	173.7	-76.2	167.5	0	0	0	110	V223 I230 Y232 I253 D254 V255 S260 Y353 I382 V386	V223-I257 HydrophobicContact CG1-CG1 4.29Å; I230-I257 HydrophobicContact CD1-CB 4.27Å; I230-I257 HydrophobicContact CD1-CG1 4.12Å; I230-I257 HydrophobicContact CD1-CG2 3.99Å; I230-I257 HydrophobicContact CG1-CG2 4.32Å; I230-I257 HydrophobicContact CG2-CG2 4.19Å; Y232-I257 PolarHBondContact OH-O 3.2Å; I253-I257 HydrophobicContact CD1-CD1 4.22Å; I253-I257 HydrophobicContact CG1-CD1 3.87Å; I253-I257 WeakPolarHBondContact O-CG1 3.36Å; I253-I257 PolarHBondContact O-N 3.21Å; D254-I257 PolarHBondContact O-N 3.06Å; V255-I257 VanDerWaalsContact C-N 3.34Å; I257-S260 PolarHBondContact O-OG 3.08Å; I257-Y353 HydrophobicContact CD1-CE1 3.68Å; I257-Y353 WeakPolarHBondContact CD1-OH 2.93Å; I257-I382 HydrophobicContact CD1-CG2 4.4Å; I257-V386 HydrophobicContact CG2-CG2 3.97Å
258	L	97.3	Very high	94.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.7	-44.6	175.4	-65.7	179.8	0	0	0	111	A247 D254 S260 D261 G262 Y264 L319 F321 V349 I351 V386	A247-L258 HydrophobicContact CB-CD1 4.07Å; D254-L258 WeakPolarHBondContact O-CG 3.35Å; D254-L258 PolarHBondContact O-N 2.97Å; L258-S260 PolarHBondContact O-N 3.38Å; L258-S260 VanDerWaalsContact O-N 3.12Å; L258-D261 PolarHBondContact O-N 2.94Å; L258-D261 VanDerWaalsContact O-N 3.15Å; L258-G262 PolarHBondContact O-N 2.8Å; L258-Y264 HydrophobicContact CB-CE2 3.98Å; L258-Y264 WeakPolarHBondContact O-CE2 3.36Å; L258-L319 HydrophobicContact CD1-CD1 3.55Å; L258-L319 HydrophobicContact CD1-CD2 4.13Å; L258-F321 HydrophobicContact CD1-CE1 4.4Å; L258-F321 HydrophobicContact CD1-CZ 4.14Å; L258-V349 HydrophobicContact CD2-CG1 3.78Å; L258-I351 HydrophobicContact CD1-CD1 4.07Å; L258-I351 HydrophobicContact CD2-CD1 3.98Å; L258-I351 HydrophobicContact CD2-CG1 4.33Å; L258-I351 HydrophobicContact CG-CD1 3.96Å; L258-V386 HydrophobicContact CD2-CG1 3.65Å; L258-V386 HydrophobicContact CD2-CG2 4.35Å
259	A	95	Very high	93.8	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-69.2	-10.8	-175.3	0	0	0	0	0	114.3	Y219 V255 D261 G262 Y264	Y219-A259 HydrophobicContact CD1-CB 4.31Å; Y219-A259 HydrophobicContact CD2-CB 3.45Å; Y219-A259 VanDerWaalsContact CD2-CB 3.45Å; Y219-A259 VanDerWaalsContact CD2-O 3.25Å; Y219-A259 WeakPolarHBondContact CD2-O 3.44Å; Y219-A259 HydrophobicContact CE1-CB 4.4Å; Y219-A259 HydrophobicContact CE2-CB 3.54Å; Y219-A259 HydrophobicContact CG-CB 3.85Å; V255-A259 WeakPolarHBondContact O-CB 3.39Å; V255-A259 PolarHBondContact O-N 3.34Å; A259-D261 VanDerWaalsContact C-N 3.3Å; A259-G262 CarbonylContact C-O 3.53Å; A259-G262 VanDerWaalsContact C-O 3.26Å; A259-G262 WeakPolarHBondContact CA-O 3.47Å; A259-Y264 HydrophobicContact CB-CD2 4.29Å
260	S	93.1	Very high	93.4	Very high	7 Å²	7	20.2 Å²	20.2	5%	0.049	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.6	175.1	70.3	0	0	0	0	114.3	R220 Y232 I256 I257 L258	R220-S260 PolarHBondContact NE-O 3.13Å; R220-S260 VanDerWaalsContact NE-O 3.12Å; Y232-S260 PolarHBondContact OH-OG 3.17Å; I256-S260 VanDerWaalsContact O-CB 3.3Å; I256-S260 WeakPolarHBondContact O-CB 3.43Å; I256-S260 PolarHBondContact O-N 2.92Å; I256-S260 PolarHBondContact O-OG 3.22Å; I257-S260 PolarHBondContact O-OG 3.08Å; L258-S260 PolarHBondContact O-N 3.38Å; L258-S260 VanDerWaalsContact O-N 3.12Å
261	D	93.8	Very high	92.9	Very high	34 Å²	34	24.5 Å²	24.5	18%	0.182	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-4	-179.9	-170	44.1	0	0	0	114.5	Y232 K238 L258 A259 Y388	Y232-D261 HydrophobicContact CD1-CB 3.92Å; Y232-D261 VanDerWaalsContact CD1-OD2 3.27Å; Y232-D261 WeakPolarHBondContact CD1-OD2 3.48Å; Y232-D261 HydrophobicContact CD2-CB 4.19Å; Y232-D261 HydrophobicContact CE1-CB 3.4Å; Y232-D261 HydrophobicContact CE2-CB 3.7Å; Y232-D261 HydrophobicContact CG-CB 4.29Å; K238-D261 WeakPolarHBondContact CE-OD2 3.21Å; K238-D261 PolarHBondContact NZ-O 2.72Å; K238-D261 IonicContact NZ-OD1 2.59Å; K238-D261 PolarHBondContact NZ-OD1 3.49Å; K238-D261 IonicContact NZ-OD2 3.2Å; K238-D261 PolarHBondContact NZ-OD2 2.84Å; L258-D261 PolarHBondContact O-N 2.94Å; L258-D261 VanDerWaalsContact O-N 3.15Å; A259-D261 VanDerWaalsContact C-N 3.3Å; D261-Y388 PolarHBondContact OD2-OH 3.13Å
262	G	90.4	Very high	92.5	Very high	16 Å²	16	27.4 Å²	27.4	17%	0.165	17%	0.169	C	C	.	.	S	Bend	trans	-164.4	160.9	169.7	0	0	0	0	0	110.4	L258 A259 Y264	L258-G262 PolarHBondContact O-N 2.8Å; A259-G262 CarbonylContact C-O 3.53Å; A259-G262 VanDerWaalsContact C-O 3.26Å; A259-G262 WeakPolarHBondContact CA-O 3.47Å; G262-Y264 WeakPolarHBondContact O-CD2 3.39Å; G262-Y264 VanDerWaalsContact O-CE2 3.29Å; G262-Y264 WeakPolarHBondContact O-CE2 3.47Å
263	C	91.9	Very high	92.3	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.074	19%	0.189	C	C	.	.			trans	-98.9	141.4	175.3	-76.3	0	0	0	0	111.7	E212 L316	E212-C263 HydrophobicContact CG-CB 3.89Å; C263-L316 HydrophobicContact CB-CD1 3.61Å; C263-L316 HydrophobicContact CB-CD2 4.03Å; C263-L316 HydrophobicContact CB-CG 4.48Å
264	Y	95.3	Very high	91.9	Very high	9 Å²	9	34.6 Å²	34.6	4%	0.035	22%	0.22	C	C	.	.			trans	-132.1	143.2	-176.4	-56.5	-83.5	0	0	0	111.1	P239 C245 L258 A259 G262 H288 P317 L319	P239-Y264 HydrophobicContact CB-CE1 3.96Å; P239-Y264 HydrophobicContact CG-CE1 3.83Å; C245-Y264 HydrophobicContact CB-CD1 4.06Å; C245-Y264 HydrophobicContact CB-CE1 3.85Å; L258-Y264 HydrophobicContact CB-CE2 3.98Å; L258-Y264 WeakPolarHBondContact O-CE2 3.36Å; A259-Y264 HydrophobicContact CB-CD2 4.29Å; G262-Y264 WeakPolarHBondContact O-CD2 3.39Å; G262-Y264 VanDerWaalsContact O-CE2 3.29Å; G262-Y264 WeakPolarHBondContact O-CE2 3.47Å; Y264-H288 PolarHBondContact O-CE1 3.2Å; Y264-H288 VanDerWaalsContact O-CE1 3.29Å; Y264-P317 CarbonylContact C-O 3.56Å; Y264-P317 WeakPolarHBondContact CA-O 3.36Å; Y264-P317 HydrophobicContact CD1-CB 4.47Å; Y264-P317 HydrophobicContact CD1-CG 3.95Å; Y264-P317 HydrophobicContact CE1-CG 4.25Å; Y264-L319 HydrophobicContact CD1-CB 4.11Å; Y264-L319 HydrophobicContact CD2-CD2 4.48Å; Y264-L319 HydrophobicContact CG-CB 3.96Å; Y264-L319 HydrophobicContact CG-CD2 4.42Å
265	A	94.9	Very high	91.4	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.3	158.3	0	0	0	0	0	108	H309 L316 P317 I318 L319	A265-H309 VanDerWaalsContact CB-CE1 3.42Å; A265-H309 WeakPolarHBondContact CB-CE1 3.36Å; A265-H309 WeakPolarHBondContact CB-NE2 3.26Å; A265-L316 HydrophobicContact CB-CB 4.37Å; A265-P317 PolarHBondContact N-O 3.3Å; A265-I318 CarbonylContact O-C 3.59Å; A265-I318 WeakPolarHBondContact O-CA 3.45Å; A265-L319 PolarHBondContact O-N 3.21Å
266	M	92	Very high	91.1	Very high	22 Å²	22	36.4 Å²	36.4	11%	0.108	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	148.9	-176.4	-65.1	-178.6	-70.7	0	0	109.4	V255 M282 H288 I289 W290	V255-M266 HydrophobicContact CG1-CG 4.35Å; V255-M266 HydrophobicContact CG1-SD 3.43Å; V255-M266 WeakPolarHBondContact CG1-SD 3.43Å; M266-M282 HydrophobicContact CE-CE 3.12Å; M266-M282 HydrophobicContact CE-SD 3.88Å; M266-H288 VanDerWaalsContact CE-CE1 3.41Å; M266-H288 WeakPolarHBondContact CE-CE1 3.46Å; M266-H288 WeakPolarHBondContact CE-ND1 3.36Å; M266-H288 PolarHBondContact N-ND1 3.29Å; M266-I289 PolarHBondContact O-N 3.26Å; M266-W290 HydrophobicContact CB-CH2 3.84Å; M266-W290 HydrophobicContact CB-CZ2 4.46Å; M266-W290 HydrophobicContact CB-CZ3 4.38Å; M266-W290 HydrophobicContact CE-CH2 3.81Å; M266-W290 HydrophobicContact CE-CZ2 3.93Å; M266-W290 HydrophobicContact SD-CH2 4.38Å
267	V	89.8	Confident	91	Very high	47 Å²	47	37.6 Å²	37.6	29%	0.285	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	174.2	-176.6	0	0	0	0	109	I289 F291 L306 I318 I320	V267-I289 VanDerWaalsContact CA-O 3.31Å; V267-I289 WeakPolarHBondContact CA-O 3.3Å; V267-I289 HydrophobicContact CG2-CB 4.29Å; V267-I289 HydrophobicContact CG2-CD1 4.35Å; V267-F291 HydrophobicContact CG1-CD2 4.11Å; V267-F291 HydrophobicContact CG1-CE2 3.77Å; V267-L306 HydrophobicContact CG2-CD2 3.74Å; V267-I318 HydrophobicContact CG2-CG2 3.29Å; V267-I320 HydrophobicContact CG2-CD1 4.47Å; V267-I320 HydrophobicContact CG2-CG1 4.18Å
268	G	86.5	Confident	90.7	Very high	24 Å²	24	38.8 Å²	38.8	25%	0.247	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	179.5	175.2	0	0	0	0	0	114.2	I289 W290 F291	G268-I289 PolarHBondContact N-O 3.39Å; G268-I289 VanDerWaalsContact N-O 3.15Å; G268-W290 CarbonylContact O-C 3.26Å; G268-W290 VanDerWaalsContact O-CA 3.3Å; G268-W290 WeakPolarHBondContact O-CA 3.22Å; G268-F291 PolarHBondContact O-N 2.96Å
269	Q	85.9	Confident	90.5	Very high	62 Å²	62	39.1 Å²	39.1	29%	0.29	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	149.3	173.8	-151.7	-165.4	-87.6	0	0	110.5	H271 Q279 F291	Q269-H271 PolarHBondContact O-CE1 3.26Å; Q269-H271 PolarHBondContact O-ND1 3.47Å; Q269-Q279 PolarHBondContact O-NE2 3.49Å; Q269-F291 CarbonylContact C-O 3.59Å; Q269-F291 WeakPolarHBondContact CA-O 3.22Å
270	I	86.6	Confident	90.3	Very high	81 Å²	81	46 Å²	46	42%	0.415	27%	0.269	S	S	.	.			trans	-67.2	134.6	167.8	-63.3	172.5	0	0	0	109.3	W290 F291 E292	I270-W290 HydrophobicContact CD1-CB 4.31Å; I270-W290 HydrophobicContact CG1-CB 3.55Å; I270-F291 PolarHBondContact N-O 3.17Å; I270-E292 HydrophobicContact CD1-CG 3.98Å
271	H	85.9	Confident	90.2	Very high	91 Å²	91	45.9 Å²	45.9	42%	0.421	27%	0.268	S	S	.	.			trans	-119.7	154.1	176.7	-64.5	82.3	0	0	0	111.4	Q269 M275 G276	Q269-H271 PolarHBondContact O-CE1 3.26Å; Q269-H271 PolarHBondContact O-ND1 3.47Å; H271-M275 HydrophobicContact CB-CB 3.98Å; H271-M275 HydrophobicContact CB-CG 3.89Å; H271-G276 WeakPolarHBondContact O-CA 3.25Å
272	G	88.3	Confident	90.1	Very high	61 Å²	61	44.6 Å²	44.6	63%	0.629	26%	0.261	S	S	*	.			trans	-86.3	-169.9	169.9	0	0	0	0	0	113.2	G276	G272-G276 PolarHBondContact O-N 2.82Å
273	G	90.6	Very high	90.1	Very high	61 Å²	61	46.9 Å²	46.9	63%	0.629	27%	0.272	S	S	*	.	H	α-helix	trans	57.9	-146.9	174.2	0	0	0	0	0	114.1	M275 G276 V277	G273-M275 VanDerWaalsContact C-N 3.33Å; G273-M275 PolarHBondContact O-N 3.23Å; G273-G276 PolarHBondContact O-N 2.96Å; G273-V277 PolarHBondContact O-N 3.04Å; G273-V277 VanDerWaalsContact O-N 3.15Å
274	L	87.4	Confident	89.9	Confident	127 Å²	127	51.6 Å²	51.6	67%	0.665	29%	0.291	S	S	*	.	H	α-helix	trans	-58.8	-41.9	179.8	179.3	62	0	0	0	112.4	G276 V277 I278	L274-G276 VanDerWaalsContact C-N 3.29Å; L274-G276 PolarHBondContact O-N 2.79Å; L274-V277 WeakPolarHBondContact O-CB 3.43Å; L274-V277 PolarHBondContact O-N 3.39Å; L274-V277 VanDerWaalsContact O-N 3.13Å; L274-I278 HydrophobicContact CD1-CD1 4.45Å; L274-I278 HydrophobicContact CG-CD1 4.15Å; L274-I278 WeakPolarHBondContact O-CG1 3.46Å; L274-I278 PolarHBondContact O-N 2.9Å
275	M	86.9	Confident	89.4	Confident	72 Å²	72	51.5 Å²	51.5	36%	0.355	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-38.8	179.1	-171.4	59.6	-171.4	0	0	111.4	H271 G273 V277 I278 Q279	H271-M275 HydrophobicContact CB-CB 3.98Å; H271-M275 HydrophobicContact CB-CG 3.89Å; G273-M275 VanDerWaalsContact C-N 3.33Å; G273-M275 PolarHBondContact O-N 3.23Å; M275-V277 PolarHBondContact O-N 3.25Å; M275-I278 PolarHBondContact O-N 3.34Å; M275-Q279 HydrophobicContact CE-CG 4.06Å; M275-Q279 WeakPolarHBondContact O-CB 3.21Å; M275-Q279 WeakPolarHBondContact O-CG 3.28Å; M275-Q279 PolarHBondContact O-N 3.26Å
276	G	89.4	Confident	89	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-63.1	-37.8	173.3	0	0	0	0	0	113.5	H271 G272 G273 L274 R280	H271-G276 WeakPolarHBondContact O-CA 3.25Å; G272-G276 PolarHBondContact O-N 2.82Å; G273-G276 PolarHBondContact O-N 2.96Å; L274-G276 VanDerWaalsContact C-N 3.29Å; L274-G276 PolarHBondContact O-N 2.79Å; G276-R280 WeakPolarHBondContact O-CB 3.44Å; G276-R280 VanDerWaalsContact O-CG 3.31Å; G276-R280 WeakPolarHBondContact O-CG 3.49Å; G276-R280 PolarHBondContact O-N 2.82Å; G276-R280 PolarHBondContact O-NH1 3.26Å
277	V	92.3	Very high	88.7	Confident	61 Å²	61	53.4 Å²	53.4	37%	0.37	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-46.8	174.1	174.1	0	0	0	0	110.4	V192 G273 L274 M275 R280 S281	V192-V277 HydrophobicContact CG1-CG1 4.18Å; G273-V277 PolarHBondContact O-N 3.04Å; G273-V277 VanDerWaalsContact O-N 3.15Å; L274-V277 WeakPolarHBondContact O-CB 3.43Å; L274-V277 PolarHBondContact O-N 3.39Å; L274-V277 VanDerWaalsContact O-N 3.13Å; M275-V277 PolarHBondContact O-N 3.25Å; V277-R280 PolarHBondContact O-N 2.9Å; V277-S281 PolarHBondContact O-N 3.15Å; V277-S281 PolarHBondContact O-OG 3.04Å
278	I	91.8	Very high	88.7	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.128	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-53.4	177	-65.1	167.3	0	0	0	109.9	V188 L191 V192 L274 M275 R280 S281 M282	V188-I278 HydrophobicContact CG1-CD1 3.72Å; V188-I278 HydrophobicContact CG1-CG1 4.03Å; L191-I278 HydrophobicContact CD2-CG2 4.45Å; V192-I278 HydrophobicContact CG2-CG1 4.04Å; L274-I278 HydrophobicContact CD1-CD1 4.45Å; L274-I278 HydrophobicContact CG-CD1 4.15Å; L274-I278 WeakPolarHBondContact O-CG1 3.46Å; L274-I278 PolarHBondContact O-N 2.9Å; M275-I278 PolarHBondContact O-N 3.34Å; I278-R280 VanDerWaalsContact C-N 3.34Å; I278-R280 PolarHBondContact O-N 3.27Å; I278-S281 PolarHBondContact O-N 3.42Å; I278-S281 VanDerWaalsContact O-N 3.1Å; I278-S281 PolarHBondContact O-OG 3.11Å; I278-M282 HydrophobicContact CG2-CG 4.27Å; I278-M282 HydrophobicContact CG2-SD 3.51Å; I278-M282 VanDerWaalsContact CG2-SD 3.51Å; I278-M282 VanDerWaalsContact O-CG 3.25Å; I278-M282 WeakPolarHBondContact O-CG 3.46Å; I278-M282 PolarHBondContact O-N 3.39Å
279	Q	91.9	Very high	88.9	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-54.7	-47.2	179	-73.4	-179.1	-44.5	0	0	112.4	Q269 M275 S281 M282 V283 W290	Q269-Q279 PolarHBondContact O-NE2 3.49Å; M275-Q279 HydrophobicContact CE-CG 4.06Å; M275-Q279 WeakPolarHBondContact O-CB 3.21Å; M275-Q279 WeakPolarHBondContact O-CG 3.28Å; M275-Q279 PolarHBondContact O-N 3.26Å; Q279-S281 VanDerWaalsContact C-N 3.34Å; Q279-S281 PolarHBondContact O-N 2.64Å; Q279-M282 PolarHBondContact O-N 2.97Å; Q279-V283 VanDerWaalsContact O-CG2 3.29Å; Q279-V283 WeakPolarHBondContact O-CG2 3.41Å; Q279-V283 PolarHBondContact O-N 3.42Å; Q279-V283 VanDerWaalsContact O-N 3.14Å; Q279-W290 HydrophobicContact CB-CZ2 4.29Å; Q279-W290 HydrophobicContact CG-CD2 4.33Å; Q279-W290 HydrophobicContact CG-CH2 4.14Å; Q279-W290 HydrophobicContact CG-CZ2 3.84Å; Q279-W290 HydrophobicContact CG-CZ3 4.49Å; Q279-W290 VanDerWaalsContact NE2-CZ3 3.32Å
280	R	91.8	Very high	89.1	Confident	148 Å²	148	50.4 Å²	50.4	56%	0.558	28%	0.281	S	S	*	.	H	α-helix	trans	-63.4	-38.1	178.6	-74.9	-171.9	-61.2	-86	3.6	112.6	G276 V277 I278 K284	G276-R280 WeakPolarHBondContact O-CB 3.44Å; G276-R280 VanDerWaalsContact O-CG 3.31Å; G276-R280 WeakPolarHBondContact O-CG 3.49Å; G276-R280 PolarHBondContact O-N 2.82Å; G276-R280 PolarHBondContact O-NH1 3.26Å; V277-R280 PolarHBondContact O-N 2.9Å; I278-R280 VanDerWaalsContact C-N 3.34Å; I278-R280 PolarHBondContact O-N 3.27Å; R280-K284 WeakPolarHBondContact O-CG 3.1Å
281	S	91.1	Very high	89.1	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-66.8	-43.5	177.3	68.6	0	0	0	0	112	T195 V277 I278 Q279 V283 K284	T195-S281 WeakPolarHBondContact CB-O 3.16Å; T195-S281 WeakPolarHBondContact OG1-CB 3.19Å; T195-S281 PolarHBondContact OG1-O 3.48Å; V277-S281 PolarHBondContact O-N 3.15Å; V277-S281 PolarHBondContact O-OG 3.04Å; I278-S281 PolarHBondContact O-N 3.42Å; I278-S281 VanDerWaalsContact O-N 3.1Å; I278-S281 PolarHBondContact O-OG 3.11Å; Q279-S281 VanDerWaalsContact C-N 3.34Å; Q279-S281 PolarHBondContact O-N 2.64Å; S281-V283 PolarHBondContact O-N 2.84Å; S281-K284 WeakPolarHBondContact O-CB 3.17Å; S281-K284 PolarHBondContact O-N 2.79Å
282	M	90.8	Very high	89.1	Confident	7 Å²	7	47.6 Å²	47.6	3%	0.034	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-38.9	-177.4	-63.9	172.5	78.7	0	0	112.6	L191 Y219 M266 I278 Q279 K284 A285 C286	L191-M282 HydrophobicContact CD2-CE 4.35Å; L191-M282 HydrophobicContact CD2-CG 4.3Å; L191-M282 HydrophobicContact CD2-SD 4.17Å; L191-M282 HydrophobicContact CG-CG 4.48Å; Y219-M282 HydrophobicContact CE1-CE 4.27Å; Y219-M282 WeakPolarHBondContact OH-CE 3.33Å; M266-M282 HydrophobicContact CE-CE 3.12Å; M266-M282 HydrophobicContact CE-SD 3.88Å; I278-M282 HydrophobicContact CG2-CG 4.27Å; I278-M282 HydrophobicContact CG2-SD 3.51Å; I278-M282 VanDerWaalsContact CG2-SD 3.51Å; I278-M282 VanDerWaalsContact O-CG 3.25Å; I278-M282 WeakPolarHBondContact O-CG 3.46Å; I278-M282 PolarHBondContact O-N 3.39Å; Q279-M282 PolarHBondContact O-N 2.97Å; M282-K284 PolarHBondContact O-N 2.98Å; M282-A285 PolarHBondContact O-N 3.08Å; M282-C286 PolarHBondContact O-N 2.8Å
283	V	90.5	Very high	88.6	Confident	64 Å²	64	53.5 Å²	53.5	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-29.5	178.3	173.5	0	0	0	0	112.6	Q279 S281 A285 C286 H288	Q279-V283 VanDerWaalsContact O-CG2 3.29Å; Q279-V283 WeakPolarHBondContact O-CG2 3.41Å; Q279-V283 PolarHBondContact O-N 3.42Å; Q279-V283 VanDerWaalsContact O-N 3.14Å; S281-V283 PolarHBondContact O-N 2.84Å; V283-A285 PolarHBondContact O-N 3.2Å; V283-C286 CarbonylContact C-O 3.5Å; V283-C286 VanDerWaalsContact CA-O 3.26Å; V283-C286 WeakPolarHBondContact CA-O 3.41Å; V283-H288 HydrophobicContact CG2-CB 4.2Å
284	K	87.8	Confident	88	Confident	110 Å²	110	54.2 Å²	54.2	48%	0.478	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-29.4	177.4	-64.1	175.2	179.8	-177.2	0	112.6	G199 K207 R280 S281 M282	G199-K284 WeakPolarHBondContact CA-O 3.43Å; K207-K284 WeakPolarHBondContact CE-O 3.5Å; K207-K284 PolarHBondContact NZ-O 2.84Å; R280-K284 WeakPolarHBondContact O-CG 3.1Å; S281-K284 WeakPolarHBondContact O-CB 3.17Å; S281-K284 PolarHBondContact O-N 2.79Å; M282-K284 PolarHBondContact O-N 2.98Å
285	A	84.9	Confident	87.5	Confident	6 Å²	6	50.2 Å²	50.2	5%	0.05	24%	0.243	C	C	.	.	H	α-helix	trans	-103.4	-26.2	-175.3	0	0	0	0	0	113.2	T195 I198 S211 M282 V283	T195-A285 HydrophobicContact CG2-CB 3.91Å; I198-A285 HydrophobicContact CB-CB 4.21Å; I198-A285 HydrophobicContact CG2-CB 3.89Å; S211-A285 WeakPolarHBondContact CB-O 3.36Å; S211-A285 PolarHBondContact OG-O 2.99Å; M282-A285 PolarHBondContact O-N 3.08Å; V283-A285 PolarHBondContact O-N 3.2Å
286	C	85.9	Confident	86.7	Confident	6 Å²	6	50.3 Å²	50.3	4%	0.041	25%	0.247	C	C	.	.	S	Bend	trans	-146.6	139.1	-178.5	168	0	0	0	0	110.6	M282 V283 H288 L316	M282-C286 PolarHBondContact O-N 2.8Å; V283-C286 CarbonylContact C-O 3.5Å; V283-C286 VanDerWaalsContact CA-O 3.26Å; V283-C286 WeakPolarHBondContact CA-O 3.41Å; C286-H288 VanDerWaalsContact C-N 3.27Å; C286-H288 PolarHBondContact O-CD2 2.95Å; C286-H288 VanDerWaalsContact O-CD2 3.24Å; C286-H288 PolarHBondContact O-N 3.23Å; C286-L316 VanDerWaalsContact SG-CD1 3.55Å
287	P	85.9	Confident	86	Confident	57 Å²	57	58.8 Å²	58.8	37%	0.37	28%	0.284	S	S	.	.			trans	-74.3	73.2	-178.5	31.7	-36	0	0	0	112.4	H309 K315	P287-H309 PolarHBondContact O-CE1 3.17Å; P287-H309 VanDerWaalsContact O-CE1 3.29Å; P287-K315 HydrophobicContact CB-CD 4.36Å; P287-K315 HydrophobicContact CG-CB 4.34Å; P287-K315 HydrophobicContact CG-CD 3.95Å; P287-K315 HydrophobicContact CG-CG 3.91Å
288	H	91	Very high	85.6	Confident	14 Å²	14	59.4 Å²	59.4	7%	0.065	29%	0.285	C	S	.	.			trans	-70.8	149.5	168.6	-60.9	-81.6	0	0	0	110.8	Y264 M266 V283 C286 W290	Y264-H288 PolarHBondContact O-CE1 3.2Å; Y264-H288 VanDerWaalsContact O-CE1 3.29Å; M266-H288 VanDerWaalsContact CE-CE1 3.41Å; M266-H288 WeakPolarHBondContact CE-CE1 3.46Å; M266-H288 WeakPolarHBondContact CE-ND1 3.36Å; M266-H288 PolarHBondContact N-ND1 3.29Å; V283-H288 HydrophobicContact CG2-CB 4.2Å; C286-H288 VanDerWaalsContact C-N 3.27Å; C286-H288 PolarHBondContact O-CD2 2.95Å; C286-H288 VanDerWaalsContact O-CD2 3.24Å; C286-H288 PolarHBondContact O-N 3.23Å; H288-W290 HydrophobicContact CB-CZ2 3.71Å
289	I	90.7	Very high	85.1	Confident	16 Å²	16	67.8 Å²	67.8	8%	0.082	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.2	-176.5	-52.2	173.9	0	0	0	108.6	M266 V267 G268 F291 L306 H309 I318	M266-I289 PolarHBondContact O-N 3.26Å; V267-I289 VanDerWaalsContact CA-O 3.31Å; V267-I289 WeakPolarHBondContact CA-O 3.3Å; V267-I289 HydrophobicContact CG2-CB 4.29Å; V267-I289 HydrophobicContact CG2-CD1 4.35Å; G268-I289 PolarHBondContact N-O 3.39Å; G268-I289 VanDerWaalsContact N-O 3.15Å; I289-F291 HydrophobicContact CG2-CD2 4.14Å; I289-F291 HydrophobicContact CG2-CE2 3.42Å; I289-F291 VanDerWaalsContact CG2-CE2 3.42Å; I289-F291 HydrophobicContact CG2-CZ 3.68Å; I289-L306 HydrophobicContact CD1-CD2 3.8Å; I289-H309 HydrophobicContact CD1-CB 3.85Å; I289-I318 HydrophobicContact CD1-CD1 4.05Å
290	W	90.3	Very high	84.8	Confident	40 Å²	40	75.2 Å²	75.2	15%	0.152	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.4	175.5	-49.9	115.2	0	0	0	110.7	M266 G268 I270 Q279 H288	M266-W290 HydrophobicContact CB-CH2 3.84Å; M266-W290 HydrophobicContact CB-CZ2 4.46Å; M266-W290 HydrophobicContact CB-CZ3 4.38Å; M266-W290 HydrophobicContact CE-CH2 3.81Å; M266-W290 HydrophobicContact CE-CZ2 3.93Å; M266-W290 HydrophobicContact SD-CH2 4.38Å; G268-W290 CarbonylContact O-C 3.26Å; G268-W290 VanDerWaalsContact O-CA 3.3Å; G268-W290 WeakPolarHBondContact O-CA 3.22Å; I270-W290 HydrophobicContact CD1-CB 4.31Å; I270-W290 HydrophobicContact CG1-CB 3.55Å; Q279-W290 HydrophobicContact CB-CZ2 4.29Å; Q279-W290 HydrophobicContact CG-CD2 4.33Å; Q279-W290 HydrophobicContact CG-CH2 4.14Å; Q279-W290 HydrophobicContact CG-CZ2 3.84Å; Q279-W290 HydrophobicContact CG-CZ3 4.49Å; Q279-W290 VanDerWaalsContact NE2-CZ3 3.32Å; H288-W290 HydrophobicContact CB-CZ2 3.71Å
291	F	86.2	Confident	84.6	Confident	4 Å²	4	70.5 Å²	70.5	2%	0.018	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	142.9	179.7	-68.8	-85.3	0	0	0	111.1	V267 G268 Q269 I270 I289 E295 V296 V302 R305	V267-F291 HydrophobicContact CG1-CD2 4.11Å; V267-F291 HydrophobicContact CG1-CE2 3.77Å; G268-F291 PolarHBondContact O-N 2.96Å; Q269-F291 CarbonylContact C-O 3.59Å; Q269-F291 WeakPolarHBondContact CA-O 3.22Å; I270-F291 PolarHBondContact N-O 3.17Å; I289-F291 HydrophobicContact CG2-CD2 4.14Å; I289-F291 HydrophobicContact CG2-CE2 3.42Å; I289-F291 VanDerWaalsContact CG2-CE2 3.42Å; I289-F291 HydrophobicContact CG2-CZ 3.68Å; F291-E295 HydrophobicContact CD1-CB 4.2Å; F291-V296 HydrophobicContact CB-CG2 3.54Å; F291-V296 HydrophobicContact CG-CG2 4.37Å; F291-V302 HydrophobicContact CD1-CG2 4.06Å; F291-V302 HydrophobicContact CE1-CB 4.2Å; F291-V302 HydrophobicContact CE1-CG1 4.5Å; F291-V302 HydrophobicContact CE1-CG2 3.67Å; F291-V302 HydrophobicContact CE2-CG1 4.35Å; F291-V302 HydrophobicContact CZ-CB 4.13Å; F291-V302 HydrophobicContact CZ-CG1 3.96Å; F291-V302 HydrophobicContact CZ-CG2 3.95Å; F291-R305 HydrophobicContact CE1-CB 4.39Å; F291-R305 HydrophobicContact CE1-CG 4.44Å; F291-R305 HydrophobicContact CZ-CB 4.16Å
292	E	85	Confident	84.4	Confident	109 Å²	109	71.9 Å²	71.9	51%	0.509	34%	0.343	S	S	.	.			trans	-71.3	153.1	164.4	-67	-173.8	-175.5	0	0	110.7	I270 S294 E295 V296	I270-E292 HydrophobicContact CD1-CG 3.98Å; E292-S294 PolarHBondContact O-N 2.76Å; E292-S294 VanDerWaalsContact O-N 3.17Å; E292-E295 HydrophobicContact CB-CB 4.46Å; E292-E295 HydrophobicContact CB-CG 4.07Å; E292-E295 PolarHBondContact N-OE2 3.02Å; E292-E295 WeakPolarHBondContact O-CB 3.37Å; E292-E295 PolarHBondContact O-N 2.8Å; E292-V296 WeakPolarHBondContact O-CG2 3.09Å; E292-V296 PolarHBondContact O-N 3.21Å; E292-V296 VanDerWaalsContact O-N 3.13Å
293	R	78.2	Confident	84.3	Confident	184 Å²	184	73 Å²	73	69%	0.694	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.9	-177.3	-176.3	179.4	-87.4	-173.9	-5.2	112.7
294	S	78.4	Confident	84.4	Confident	77 Å²	77	76.5 Å²	76.5	54%	0.538	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-46.6	173.1	44.5	0	0	0	0	111.7	E292 V296 K297	E292-S294 PolarHBondContact O-N 2.76Å; E292-S294 VanDerWaalsContact O-N 3.17Å; S294-V296 VanDerWaalsContact C-N 3.35Å; S294-V296 PolarHBondContact O-N 3.33Å; S294-K297 WeakPolarHBondContact O-CB 3.19Å; S294-K297 PolarHBondContact O-N 2.71Å
295	E	76.3	Confident	84.6	Confident	42 Å²	42	75.3 Å²	75.3	20%	0.196	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-65.9	-32.5	-177.6	-66	-176.5	144.9	0	0	113.4	F291 E292 K297 D298 L301 R305	F291-E295 HydrophobicContact CD1-CB 4.2Å; E292-E295 HydrophobicContact CB-CB 4.46Å; E292-E295 HydrophobicContact CB-CG 4.07Å; E292-E295 PolarHBondContact N-OE2 3.02Å; E292-E295 WeakPolarHBondContact O-CB 3.37Å; E292-E295 PolarHBondContact O-N 2.8Å; E295-K297 PolarHBondContact O-N 2.92Å; E295-K297 VanDerWaalsContact O-N 3.09Å; E295-D298 PolarHBondContact O-N 2.71Å; E295-L301 HydrophobicContact CB-CD2 3.93Å; E295-L301 HydrophobicContact CG-CD2 3.87Å; E295-R305 IonicContact OE1-CZ 2.82Å; E295-R305 IonicContact OE1-NH1 3.5Å; E295-R305 PolarHBondContact OE1-NH1 3.45Å; E295-R305 IonicContact OE1-NH2 2.84Å; E295-R305 PolarHBondContact OE1-NH2 2.85Å; E295-R305 IonicContact OE2-CZ 3.45Å; E295-R305 IonicContact OE2-NH1 3.59Å; E295-R305 PolarHBondContact OE2-NH1 3.2Å; E295-R305 IonicContact OE2-NH2 2.7Å
296	V	71.1	Confident	85	Confident	75 Å²	75	75.3 Å²	75.3	46%	0.455	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-59.5	-23.8	178.7	176.7	0	0	0	0	112.1	F291 E292 S294 D298	F291-V296 HydrophobicContact CB-CG2 3.54Å; F291-V296 HydrophobicContact CG-CG2 4.37Å; E292-V296 WeakPolarHBondContact O-CG2 3.09Å; E292-V296 PolarHBondContact O-N 3.21Å; E292-V296 VanDerWaalsContact O-N 3.13Å; S294-V296 VanDerWaalsContact C-N 3.35Å; S294-V296 PolarHBondContact O-N 3.33Å; V296-D298 VanDerWaalsContact C-N 3.34Å
297	K	75.2	Confident	85.3	Confident	178 Å²	178	76.5 Å²	76.5	77%	0.774	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-75.4	-24.3	176.5	-62.2	-175.1	178.8	-177.4	0	112.6	S294 E295 R299	S294-K297 WeakPolarHBondContact O-CB 3.19Å; S294-K297 PolarHBondContact O-N 2.71Å; E295-K297 PolarHBondContact O-N 2.92Å; E295-K297 VanDerWaalsContact O-N 3.09Å; K297-R299 PolarHBondContact O-N 3.37Å
298	D	83	Confident	85.7	Confident	75 Å²	75	77.8 Å²	77.8	40%	0.401	37%	0.367	S	S	.	.			trans	-86.2	95.7	177.5	-173.6	-12.5	0	0	0	110.8	E295 V296 H300 L301 V302	E295-D298 PolarHBondContact O-N 2.71Å; V296-D298 VanDerWaalsContact C-N 3.34Å; D298-H300 PolarHBondContact O-N 3.18Å; D298-H300 WeakPolarHBondContact OD1-CB 3.31Å; D298-H300 PolarHBondContact OD1-N 2.94Å; D298-L301 HydrophobicContact CB-CB 3.92Å; D298-L301 PolarHBondContact O-N 2.62Å; D298-L301 PolarHBondContact OD1-N 3.33Å; D298-L301 VanDerWaalsContact OD1-N 3.11Å; D298-V302 WeakPolarHBondContact O-CG2 3.45Å; D298-V302 PolarHBondContact O-N 3.2Å; D298-V302 VanDerWaalsContact O-N 3.1Å
299	R	81.6	Confident	85.9	Confident	201 Å²	201	77.7 Å²	77.7	76%	0.758	37%	0.367	S	S	*	.	H	α-helix	trans	-60.6	-33.4	179.5	-64.4	-178.1	-179	171.4	1.6	112.9	K297 A303	K297-R299 PolarHBondContact O-N 3.37Å; R299-A303 WeakPolarHBondContact O-CB 3.16Å; R299-A303 PolarHBondContact O-N 2.96Å
300	H	85.8	Confident	86.1	Confident	163 Å²	163	77.4 Å²	77.4	76%	0.755	37%	0.366	S	S	*	.	H	α-helix	trans	-71.9	-43.1	-178.6	-67.7	90.2	0	0	0	110.6	D298 V302 A303 K304	D298-H300 PolarHBondContact O-N 3.18Å; D298-H300 WeakPolarHBondContact OD1-CB 3.31Å; D298-H300 PolarHBondContact OD1-N 2.94Å; H300-V302 PolarHBondContact O-N 3.48Å; H300-A303 PolarHBondContact O-N 2.95Å; H300-K304 VanDerWaalsContact O-CB 3.29Å; H300-K304 WeakPolarHBondContact O-CB 3.46Å; H300-K304 PolarHBondContact O-N 3.21Å
301	L	86.9	Confident	86.3	Confident	49 Å²	49	81.8 Å²	81.8	26%	0.257	39%	0.388	S	S	.	.	H	α-helix	trans	-60.3	-45.7	174.9	178.7	62	0	0	0	111.6	E295 D298 K304 R305	E295-L301 HydrophobicContact CB-CD2 3.93Å; E295-L301 HydrophobicContact CG-CD2 3.87Å; D298-L301 HydrophobicContact CB-CB 3.92Å; D298-L301 PolarHBondContact O-N 2.62Å; D298-L301 PolarHBondContact OD1-N 3.33Å; D298-L301 VanDerWaalsContact OD1-N 3.11Å; L301-K304 PolarHBondContact O-N 3.37Å; L301-R305 HydrophobicContact CD1-CG 4.41Å; L301-R305 PolarHBondContact O-N 3.45Å
302	V	87	Confident	86.6	Confident	32 Å²	32	84.2 Å²	84.2	19%	0.194	40%	0.401	C	S	.	.	H	α-helix	trans	-60.2	-51.5	177.6	174.3	0	0	0	0	110.6	F291 D298 H300 K304 R305 L306	F291-V302 HydrophobicContact CD1-CG2 4.06Å; F291-V302 HydrophobicContact CE1-CB 4.2Å; F291-V302 HydrophobicContact CE1-CG1 4.5Å; F291-V302 HydrophobicContact CE1-CG2 3.67Å; F291-V302 HydrophobicContact CE2-CG1 4.35Å; F291-V302 HydrophobicContact CZ-CB 4.13Å; F291-V302 HydrophobicContact CZ-CG1 3.96Å; F291-V302 HydrophobicContact CZ-CG2 3.95Å; D298-V302 WeakPolarHBondContact O-CG2 3.45Å; D298-V302 PolarHBondContact O-N 3.2Å; D298-V302 VanDerWaalsContact O-N 3.1Å; H300-V302 PolarHBondContact O-N 3.48Å; V302-K304 VanDerWaalsContact C-N 3.32Å; V302-K304 PolarHBondContact O-N 3.46Å; V302-R305 PolarHBondContact O-N 2.82Å; V302-L306 HydrophobicContact CG1-CD1 3.89Å; V302-L306 HydrophobicContact CG1-CG 4.41Å; V302-L306 VanDerWaalsContact O-CG 3.3Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 3.09Å
303	A	89.1	Confident	86.9	Confident	31 Å²	31	84.9 Å²	84.9	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-59.1	-42.6	179.3	0	0	0	0	0	112.1	R299 H300 L306 S307	R299-A303 WeakPolarHBondContact O-CB 3.16Å; R299-A303 PolarHBondContact O-N 2.96Å; H300-A303 PolarHBondContact O-N 2.95Å; A303-L306 PolarHBondContact O-N 2.88Å; A303-S307 VanDerWaalsContact O-CB 3.31Å; A303-S307 WeakPolarHBondContact O-CB 3.23Å; A303-S307 PolarHBondContact O-N 2.9Å
304	K	91.3	Very high	87.4	Confident	138 Å²	138	79.7 Å²	79.7	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-62.6	-45.9	177.7	-173.7	175.4	-178.2	176.7	0	112.3	H300 L301 V302 S307 N308	H300-K304 VanDerWaalsContact O-CB 3.29Å; H300-K304 WeakPolarHBondContact O-CB 3.46Å; H300-K304 PolarHBondContact O-N 3.21Å; L301-K304 PolarHBondContact O-N 3.37Å; V302-K304 VanDerWaalsContact C-N 3.32Å; V302-K304 PolarHBondContact O-N 3.46Å; K304-S307 PolarHBondContact O-N 2.9Å; K304-N308 WeakPolarHBondContact O-CB 3.42Å; K304-N308 PolarHBondContact O-N 3.06Å; K304-N308 PolarHBondContact O-OD1 3.4Å
305	R	91.9	Very high	88.1	Confident	84 Å²	84	78.6 Å²	78.6	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-63.9	-42.2	178.3	-74.9	-166.6	-175.9	157.9	4.6	112	F291 E295 L301 V302 H309	F291-R305 HydrophobicContact CE1-CB 4.39Å; F291-R305 HydrophobicContact CE1-CG 4.44Å; F291-R305 HydrophobicContact CZ-CB 4.16Å; E295-R305 IonicContact OE1-CZ 2.82Å; E295-R305 IonicContact OE1-NH1 3.5Å; E295-R305 PolarHBondContact OE1-NH1 3.45Å; E295-R305 IonicContact OE1-NH2 2.84Å; E295-R305 PolarHBondContact OE1-NH2 2.85Å; E295-R305 IonicContact OE2-CZ 3.45Å; E295-R305 IonicContact OE2-NH1 3.59Å; E295-R305 PolarHBondContact OE2-NH1 3.2Å; E295-R305 IonicContact OE2-NH2 2.7Å; L301-R305 HydrophobicContact CD1-CG 4.41Å; L301-R305 PolarHBondContact O-N 3.45Å; V302-R305 PolarHBondContact O-N 2.82Å; R305-H309 PolarHBondContact O-N 2.93Å; R305-H309 VanDerWaalsContact O-N 3.1Å
306	L	93.4	Very high	88.9	Confident	7 Å²	7	78 Å²	78	4%	0.037	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-43.6	176.8	-64	174.8	0	0	0	111.3	V267 I289 V302 A303 H309 V310 I318 I320 I342	V267-L306 HydrophobicContact CG2-CD2 3.74Å; I289-L306 HydrophobicContact CD1-CD2 3.8Å; V302-L306 HydrophobicContact CG1-CD1 3.89Å; V302-L306 HydrophobicContact CG1-CG 4.41Å; V302-L306 VanDerWaalsContact O-CG 3.3Å; V302-L306 WeakPolarHBondContact O-CG 3.4Å; V302-L306 PolarHBondContact O-N 3.09Å; A303-L306 PolarHBondContact O-N 2.88Å; L306-H309 PolarHBondContact O-N 3.47Å; L306-V310 WeakPolarHBondContact O-CG2 3.49Å; L306-V310 PolarHBondContact O-N 2.91Å; L306-I318 HydrophobicContact CB-CD1 4.43Å; L306-I318 HydrophobicContact CD2-CD1 3.86Å; L306-I318 HydrophobicContact CD2-CG2 4.3Å; L306-I320 HydrophobicContact CD1-CD1 4.23Å; L306-I320 HydrophobicContact CD2-CD1 4.41Å; L306-I342 HydrophobicContact CB-CD1 3.42Å; L306-I342 VanDerWaalsContact CB-CD1 3.42Å; L306-I342 HydrophobicContact CB-CG1 4.41Å; L306-I342 HydrophobicContact CD1-CD1 3.66Å; L306-I342 HydrophobicContact CG-CD1 4.18Å
307	S	93.8	Very high	90.1	Very high	30 Å²	30	74.7 Å²	74.7	21%	0.21	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-50	176	-171	0	0	0	0	112.1	A303 K304 H309 V310 Q311	A303-S307 VanDerWaalsContact O-CB 3.31Å; A303-S307 WeakPolarHBondContact O-CB 3.23Å; A303-S307 PolarHBondContact O-N 2.9Å; K304-S307 PolarHBondContact O-N 2.9Å; S307-H309 PolarHBondContact O-N 3.42Å; S307-V310 PolarHBondContact O-N 2.87Å; S307-V310 VanDerWaalsContact O-N 3.16Å; S307-Q311 WeakPolarHBondContact O-CG 3.49Å; S307-Q311 PolarHBondContact O-N 3.44Å; S307-Q311 PolarHBondContact OG-NE2 3.48Å
308	N	94.4	Very high	91.2	Very high	84 Å²	84	66.2 Å²	66.2	45%	0.449	32%	0.321	S	S	.	.	H	α-helix	trans	-59.4	-35.1	177.6	-70.1	-4.1	0	0	0	112.6	K304	K304-N308 WeakPolarHBondContact O-CB 3.42Å; K304-N308 PolarHBondContact O-N 3.06Å; K304-N308 PolarHBondContact O-OD1 3.4Å
309	H	94.9	Very high	91.8	Very high	13 Å²	13	62.9 Å²	62.9	6%	0.06	30%	0.303	C	S	.	.	H	α-helix	trans	-70.6	-43.6	176.9	-174.8	108.2	0	0	0	112	A265 P287 I289 R305 L306 S307 Q311 D312 K315 L316 I318	A265-H309 VanDerWaalsContact CB-CE1 3.42Å; A265-H309 WeakPolarHBondContact CB-CE1 3.36Å; A265-H309 WeakPolarHBondContact CB-NE2 3.26Å; P287-H309 PolarHBondContact O-CE1 3.17Å; P287-H309 VanDerWaalsContact O-CE1 3.29Å; I289-H309 HydrophobicContact CD1-CB 3.85Å; R305-H309 PolarHBondContact O-N 2.93Å; R305-H309 VanDerWaalsContact O-N 3.1Å; L306-H309 PolarHBondContact O-N 3.47Å; S307-H309 PolarHBondContact O-N 3.42Å; H309-Q311 VanDerWaalsContact C-N 3.32Å; H309-Q311 PolarHBondContact O-N 3.4Å; H309-D312 PolarHBondContact O-N 3.26Å; H309-K315 WeakPolarHBondContact ND1-CD 3.43Å; H309-L316 PolarHBondContact NE2-O 3.01Å; H309-I318 HydrophobicContact CB-CD1 4.01Å; H309-I318 WeakPolarHBondContact CD2-CG1 3.45Å
310	V	94.7	Very high	92.5	Very high	10 Å²	10	54.4 Å²	54.4	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-33.1	179.4	167.3	0	0	0	0	112.7	G242 I244 L306 S307 D312 K313 I318 A344	G242-V310 WeakPolarHBondContact CA-O 3.38Å; G242-V310 WeakPolarHBondContact O-CG1 3.32Å; I244-V310 HydrophobicContact CD1-CG2 4.26Å; I244-V310 HydrophobicContact CG1-CG2 3.94Å; L306-V310 WeakPolarHBondContact O-CG2 3.49Å; L306-V310 PolarHBondContact O-N 2.91Å; S307-V310 PolarHBondContact O-N 2.87Å; S307-V310 VanDerWaalsContact O-N 3.16Å; V310-D312 VanDerWaalsContact C-N 3.27Å; V310-D312 PolarHBondContact O-N 2.88Å; V310-K313 PolarHBondContact O-NZ 3.16Å; V310-I318 HydrophobicContact CG2-CD1 3.75Å; V310-I318 HydrophobicContact CG2-CG1 4.43Å; V310-A344 HydrophobicContact CB-CB 4.42Å; V310-A344 HydrophobicContact CG1-CB 3.52Å; V310-A344 HydrophobicContact CG2-CB 4.12Å
311	Q	94.3	Very high	93	Very high	131 Å²	131	48.1 Å²	48.1	61%	0.612	24%	0.243	S	C	*	.	H	α-helix	trans	-66.8	-30.3	177.3	-72.7	174.7	12.6	0	0	112.2	S307 H309 K313	S307-Q311 WeakPolarHBondContact O-CG 3.49Å; S307-Q311 PolarHBondContact O-N 3.44Å; S307-Q311 PolarHBondContact OG-NE2 3.48Å; H309-Q311 VanDerWaalsContact C-N 3.32Å; H309-Q311 PolarHBondContact O-N 3.4Å; Q311-K313 PolarHBondContact O-N 2.84Å
312	D	92.9	Very high	93.4	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.294	23%	0.233	S	C	.	.			trans	-83.3	94.6	176.8	-174.2	-11.9	0	0	0	111.2	H309 V310 S314 K315	H309-D312 PolarHBondContact O-N 3.26Å; V310-D312 VanDerWaalsContact C-N 3.27Å; V310-D312 PolarHBondContact O-N 2.88Å; D312-S314 PolarHBondContact O-N 2.84Å; D312-S314 VanDerWaalsContact O-N 3.09Å; D312-S314 VanDerWaalsContact OD1-CB 3.29Å; D312-S314 WeakPolarHBondContact OD1-CB 3.23Å; D312-S314 PolarHBondContact OD1-N 2.9Å; D312-S314 PolarHBondContact OD1-OG 3.35Å; D312-K315 HydrophobicContact CB-CD 4.02Å; D312-K315 HydrophobicContact CB-CG 4.06Å; D312-K315 WeakPolarHBondContact O-CB 3.15Å; D312-K315 PolarHBondContact O-N 3.03Å; D312-K315 WeakPolarHBondContact OD2-CE 3.27Å; D312-K315 IonicContact OD2-NZ 2.73Å; D312-K315 PolarHBondContact OD2-NZ 3.29Å
313	K	90.6	Very high	93.7	Very high	124 Å²	124	44.6 Å²	44.6	54%	0.539	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-8.1	-179	-55.3	-51.9	-174.4	-168.9	0	114.2	N241 G242 V310 Q311 K315	N241-K313 VanDerWaalsContact CB-O 3.22Å; N241-K313 WeakPolarHBondContact CB-O 3.09Å; N241-K313 PolarHBondContact ND2-O 3.38Å; G242-K313 PolarHBondContact O-NZ 3.39Å; V310-K313 PolarHBondContact O-NZ 3.16Å; Q311-K313 PolarHBondContact O-N 2.84Å; K313-K315 VanDerWaalsContact C-N 3.3Å
314	S	89.2	Confident	93.6	Very high	74 Å²	74	46.2 Å²	46.2	52%	0.517	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-19.2	171.8	78.7	0	0	0	0	112.6	D312	D312-S314 PolarHBondContact O-N 2.84Å; D312-S314 VanDerWaalsContact O-N 3.09Å; D312-S314 VanDerWaalsContact OD1-CB 3.29Å; D312-S314 WeakPolarHBondContact OD1-CB 3.23Å; D312-S314 PolarHBondContact OD1-N 2.9Å; D312-S314 PolarHBondContact OD1-OG 3.35Å
315	K	91.9	Very high	93.5	Very high	54 Å²	54	40.6 Å²	40.6	24%	0.235	22%	0.221	C	C	.	.	S	Bend	trans	-87.1	148.4	-179.2	-60.2	-174.8	178	116	0	111.8	N241 P287 H309 D312 K313	N241-K315 VanDerWaalsContact CB-O 3.26Å; N241-K315 WeakPolarHBondContact CB-O 3.35Å; N241-K315 PolarHBondContact ND2-O 2.99Å; N241-K315 PolarHBondContact OD1-O 3.49Å; P287-K315 HydrophobicContact CB-CD 4.36Å; P287-K315 HydrophobicContact CG-CB 4.34Å; P287-K315 HydrophobicContact CG-CD 3.95Å; P287-K315 HydrophobicContact CG-CG 3.91Å; H309-K315 WeakPolarHBondContact ND1-CD 3.43Å; D312-K315 HydrophobicContact CB-CD 4.02Å; D312-K315 HydrophobicContact CB-CG 4.06Å; D312-K315 WeakPolarHBondContact O-CB 3.15Å; D312-K315 PolarHBondContact O-N 3.03Å; D312-K315 WeakPolarHBondContact OD2-CE 3.27Å; D312-K315 IonicContact OD2-NZ 2.73Å; D312-K315 PolarHBondContact OD2-NZ 3.29Å; K313-K315 VanDerWaalsContact C-N 3.3Å
316	L	94.5	Very high	93.7	Very high	31 Å²	31	37 Å²	37	16%	0.162	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-59.3	151	175.6	-65	178.9	0	0	0	111.7	C263 A265 C286 H309	C263-L316 HydrophobicContact CB-CD1 3.61Å; C263-L316 HydrophobicContact CB-CD2 4.03Å; C263-L316 HydrophobicContact CB-CG 4.48Å; A265-L316 HydrophobicContact CB-CB 4.37Å; C286-L316 VanDerWaalsContact SG-CD1 3.55Å; H309-L316 PolarHBondContact NE2-O 3.01Å
317	P	96.3	Very high	93.7	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.026	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-56	144.9	172.1	24	-33.6	0	0	0	111	P239 N241 G243 Y264 A265	P239-P317 HydrophobicContact CB-CB 3.97Å; P239-P317 HydrophobicContact CB-CG 4.04Å; N241-P317 WeakPolarHBondContact OD1-CD 3.48Å; G243-P317 WeakPolarHBondContact O-CA 3.43Å; Y264-P317 CarbonylContact C-O 3.56Å; Y264-P317 WeakPolarHBondContact CA-O 3.36Å; Y264-P317 HydrophobicContact CD1-CB 4.47Å; Y264-P317 HydrophobicContact CD1-CG 3.95Å; Y264-P317 HydrophobicContact CE1-CG 4.25Å; A265-P317 PolarHBondContact N-O 3.3Å
318	I	97	Very high	93.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.6	178.6	-53.6	-178.5	0	0	0	108.8	G243 I244 C245 A265 V267 I289 L306 H309 V310 I320	G243-I318 PolarHBondContact O-N 2.76Å; G243-I318 VanDerWaalsContact O-N 3.13Å; I244-I318 CarbonylContact C-O 3.58Å; I244-I318 WeakPolarHBondContact CA-O 3.46Å; I244-I318 HydrophobicContact CG1-CB 4.5Å; C245-I318 PolarHBondContact N-O 3.45Å; A265-I318 CarbonylContact O-C 3.59Å; A265-I318 WeakPolarHBondContact O-CA 3.45Å; V267-I318 HydrophobicContact CG2-CG2 3.29Å; I289-I318 HydrophobicContact CD1-CD1 4.05Å; L306-I318 HydrophobicContact CB-CD1 4.43Å; L306-I318 HydrophobicContact CD2-CD1 3.86Å; L306-I318 HydrophobicContact CD2-CG2 4.3Å; H309-I318 HydrophobicContact CB-CD1 4.01Å; H309-I318 WeakPolarHBondContact CD2-CG1 3.45Å; V310-I318 HydrophobicContact CG2-CD1 3.75Å; V310-I318 HydrophobicContact CG2-CG1 4.43Å; I318-I320 HydrophobicContact CG2-CD1 3.97Å; I318-I320 HydrophobicContact CG2-CG1 3.85Å
319	L	97.1	Very high	93.6	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.1	169.9	176.1	61.9	0	0	0	110.6	C245 L258 Y264 A265 F321	C245-L319 HydrophobicContact CB-CD1 4.07Å; L258-L319 HydrophobicContact CD1-CD1 3.55Å; L258-L319 HydrophobicContact CD1-CD2 4.13Å; Y264-L319 HydrophobicContact CD1-CB 4.11Å; Y264-L319 HydrophobicContact CD2-CD2 4.48Å; Y264-L319 HydrophobicContact CG-CB 3.96Å; Y264-L319 HydrophobicContact CG-CD2 4.42Å; A265-L319 PolarHBondContact O-N 3.21Å; L319-F321 HydrophobicContact CD1-CE2 4.25Å; L319-F321 HydrophobicContact CD1-CZ 4.12Å; L319-F321 HydrophobicContact CD2-CE2 3.88Å; L319-F321 HydrophobicContact CD2-CZ 4.04Å; L319-F321 HydrophobicContact CG-CE2 3.9Å; L319-F321 HydrophobicContact CG-CZ 4.2Å
320	I	96.1	Very high	93.5	Very high	22 Å²	22	32.3 Å²	32.3	11%	0.113	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.8	178.3	-68.6	175.8	0	0	0	110.3	I244 C245 V246 A247 V267 L306 I318 P322	I244-I320 HydrophobicContact CG2-CB 4.28Å; I244-I320 HydrophobicContact CG2-CD1 3.92Å; I244-I320 HydrophobicContact CG2-CG1 4.26Å; C245-I320 PolarHBondContact O-N 3.24Å; V246-I320 WeakPolarHBondContact CA-O 3.33Å; A247-I320 PolarHBondContact N-O 2.87Å; V267-I320 HydrophobicContact CG2-CD1 4.47Å; V267-I320 HydrophobicContact CG2-CG1 4.18Å; L306-I320 HydrophobicContact CD1-CD1 4.23Å; L306-I320 HydrophobicContact CD2-CD1 4.41Å; I318-I320 HydrophobicContact CG2-CD1 3.97Å; I318-I320 HydrophobicContact CG2-CG1 3.85Å; I320-P322 HydrophobicContact CG2-CB 4.31Å; I320-P322 WeakPolarHBondContact O-CD 3.3Å
321	F	96.3	Very high	93.5	Very high	32 Å²	32	31.8 Å²	31.8	14%	0.14	18%	0.179	C	C	.	.			trans	-109.9	87.4	171.7	-67.4	-75.3	0	0	0	108.6	A247 H249 D254 V255 L258 L319 E323 G324	A247-F321 HydrophobicContact CB-CD1 4.05Å; A247-F321 HydrophobicContact CB-CE1 3.74Å; A247-F321 WeakPolarHBondContact O-CD1 3.23Å; H249-F321 HydrophobicContact CB-CB 3.76Å; H249-F321 HydrophobicContact CB-CD1 3.65Å; H249-F321 HydrophobicContact CB-CG 3.94Å; H249-F321 AromaticContact CE1-CG 4Å; H249-F321 AromaticContact CG-CD1 3.65Å; H249-F321 AromaticContact CG-CG 3.62Å; H249-F321 AromaticContact ND1-CD1 3.47Å; H249-F321 WeakPolarHBondContact ND1-CD1 3.39Å; H249-F321 AromaticContact ND1-CE1 3.8Å; H249-F321 AromaticContact ND1-CG 3.57Å; D254-F321 HydrophobicContact CB-CE1 3.69Å; D254-F321 HydrophobicContact CB-CE2 4.5Å; D254-F321 HydrophobicContact CB-CZ 3.54Å; V255-F321 HydrophobicContact CG2-CE2 3.83Å; V255-F321 HydrophobicContact CG2-CZ 4.46Å; L258-F321 HydrophobicContact CD1-CE1 4.4Å; L258-F321 HydrophobicContact CD1-CZ 4.14Å; L319-F321 HydrophobicContact CD1-CE2 4.25Å; L319-F321 HydrophobicContact CD1-CZ 4.12Å; L319-F321 HydrophobicContact CD2-CE2 3.88Å; L319-F321 HydrophobicContact CD2-CZ 4.04Å; L319-F321 HydrophobicContact CG-CE2 3.9Å; L319-F321 HydrophobicContact CG-CZ 4.2Å; F321-E323 PolarHBondContact O-N 2.75Å; F321-E323 VanDerWaalsContact O-N 3.11Å; F321-G324 PolarHBondContact O-N 3.34Å; F321-G324 VanDerWaalsContact O-N 3.17Å
322	P	95	Very high	93.5	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.039	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.4	-166.1	30.3	-37.2	0	0	0	114.1	V246 I320 G324 F335 K336 F340	V246-P322 HydrophobicContact CG1-CG 3.57Å; I320-P322 HydrophobicContact CG2-CB 4.31Å; I320-P322 WeakPolarHBondContact O-CD 3.3Å; P322-G324 PolarHBondContact O-N 3.11Å; P322-F335 HydrophobicContact CB-CB 4.01Å; P322-F335 HydrophobicContact CB-CD1 4.3Å; P322-F335 HydrophobicContact CB-CD2 4.24Å; P322-F335 HydrophobicContact CB-CG 3.95Å; P322-F335 HydrophobicContact CG-CB 4.07Å; P322-F335 HydrophobicContact CG-CD1 3.67Å; P322-F335 HydrophobicContact CG-CD2 3.42Å; P322-F335 VanDerWaalsContact CG-CD2 3.42Å; P322-F335 HydrophobicContact CG-CE1 3.82Å; P322-F335 HydrophobicContact CG-CE2 3.58Å; P322-F335 HydrophobicContact CG-CG 3.45Å; P322-F335 VanDerWaalsContact CG-CG 3.45Å; P322-F335 HydrophobicContact CG-CZ 3.78Å; P322-K336 WeakPolarHBondContact O-CB 3.47Å; P322-K336 VanDerWaalsContact O-CG 3.23Å; P322-K336 WeakPolarHBondContact O-CG 3.43Å; P322-K336 PolarHBondContact O-N 3.36Å; P322-F340 HydrophobicContact CB-CE2 3.93Å; P322-F340 HydrophobicContact CB-CZ 4.44Å; P322-F340 HydrophobicContact CG-CE2 4.24Å; P322-F340 HydrophobicContact CG-CZ 4.26Å
323	E	92.4	Very high	93.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-27.3	169.1	-60.5	-169.5	-124.7	0	0	112.2	N248 H249 F321 T325 I327 V332 M333 F335	N248-E323 WeakPolarHBondContact CA-OE1 2.97Å; N248-E323 WeakPolarHBondContact CB-OE1 3.09Å; H249-E323 PolarHBondContact N-OE1 3.17Å; F321-E323 PolarHBondContact O-N 2.75Å; F321-E323 VanDerWaalsContact O-N 3.11Å; E323-T325 PolarHBondContact O-N 2.7Å; E323-I327 WeakPolarHBondContact OE2-CD1 3.29Å; E323-I327 VanDerWaalsContact OE2-CG1 3.23Å; E323-I327 WeakPolarHBondContact OE2-CG1 3.23Å; E323-V332 HydrophobicContact CG-CG1 4.38Å; E323-M333 PolarHBondContact OE2-N 3.37Å; E323-M333 VanDerWaalsContact OE2-N 3.13Å; E323-F335 HydrophobicContact CG-CD1 3.84Å; E323-F335 HydrophobicContact CG-CE1 3.56Å
324	G	87	Confident	93.7	Very high	65 Å²	65	19.6 Å²	19.6	67%	0.67	12%	0.123	S	C	*	.	S	Bend	trans	71.5	3.1	179.3	0	0	0	0	0	114.8	F321 P322	F321-G324 PolarHBondContact O-N 3.34Å; F321-G324 VanDerWaalsContact O-N 3.17Å; P322-G324 PolarHBondContact O-N 3.11Å
325	T	90.7	Very high	94.1	Very high	20 Å²	20	16.4 Å²	16.4	12%	0.123	10%	0.1	C	C	.	.	S	Bend	trans	-153.4	160.1	175.1	-172.4	0	0	0	0	109.7	F136 E323 I327	F136-T325 HydrophobicContact CE1-CG2 4.13Å; E323-T325 PolarHBondContact O-N 2.7Å; T325-I327 HydrophobicContact CG2-CG2 4.01Å
326	C	94.3	Very high	94.1	Very high	7 Å²	7	17.7 Å²	17.7	5%	0.047	11%	0.105	C	C	.	.			trans	-81.3	134.4	168.5	-57.8	0	0	0	0	110	H249 T250 F361	H249-C326 PolarHBondContact NE2-SG 3.49Å; H249-C326 WeakPolarHBondContact O-CA 3.45Å; T250-C326 WeakPolarHBondContact O-CB 3.45Å; C326-F361 HydrophobicContact CB-CE2 4.43Å; C326-F361 WeakPolarHBondContact O-CE2 3.45Å
327	I	93.4	Very high	93.9	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.12	C	C	.	.			trans	-122.9	161.6	174.6	63	160.8	0	0	0	111.4	F136 H249 T250 E323 T325 S331 M333 F361	F136-I327 HydrophobicContact CD1-CG2 4.25Å; F136-I327 HydrophobicContact CE1-CG2 3.74Å; H249-I327 WeakPolarHBondContact O-CG1 3.28Å; H249-I327 PolarHBondContact O-N 3.37Å; T250-I327 VanDerWaalsContact CA-O 3.26Å; T250-I327 WeakPolarHBondContact CA-O 3.21Å; T250-I327 PolarHBondContact OG1-O 2.84Å; E323-I327 WeakPolarHBondContact OE2-CD1 3.29Å; E323-I327 VanDerWaalsContact OE2-CG1 3.23Å; E323-I327 WeakPolarHBondContact OE2-CG1 3.23Å; T325-I327 HydrophobicContact CG2-CG2 4.01Å; I327-S331 WeakPolarHBondContact CD1-O 3.28Å; I327-M333 HydrophobicContact CD1-CG 4.14Å; I327-M333 HydrophobicContact CG2-CE 4.46Å; I327-M333 HydrophobicContact CG2-CG 3.7Å; I327-F361 VanDerWaalsContact C-CE2 3.46Å; I327-F361 VanDerWaalsContact O-CD2 3.29Å; I327-F361 WeakPolarHBondContact O-CD2 3.42Å
328	N	91.1	Very high	93.4	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	14%	0.14	C	C	.	.			trans	-65.6	148.6	170.8	78.9	10.5	0	0	0	109.8	K134 R135 S137 T330 F361	K134-N328 PolarHBondContact O-ND2 3.34Å; R135-N328 WeakPolarHBondContact CA-ND2 3.33Å; R135-N328 WeakPolarHBondContact CA-OD1 3.2Å; R135-N328 WeakPolarHBondContact O-CB 3.47Å; R135-N328 VanDerWaalsContact O-CG 3.26Å; R135-N328 PolarHBondContact O-N 3.38Å; R135-N328 PolarHBondContact O-OD1 3.39Å; S137-N328 WeakPolarHBondContact O-CB 3.32Å; S137-N328 PolarHBondContact O-ND2 2.94Å; N328-T330 PolarHBondContact O-N 2.81Å; N328-T330 PolarHBondContact OD1-OG1 3.01Å; N328-F361 HydrophobicContact CB-CB 4.46Å; N328-F361 HydrophobicContact CB-CD1 4.3Å; N328-F361 HydrophobicContact CB-CD2 4.42Å; N328-F361 HydrophobicContact CB-CG 4.14Å
329	N	95.3	Very high	93.1	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.037	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	35.1	-167.7	-166	-115.7	0	0	0	113	N248 T250 I351 K352 Y353 L417	N248-N329 PolarHBondContact ND2-ND2 3.06Å; T250-N329 HydrophobicContact CG2-CB 3.93Å; T250-N329 WeakPolarHBondContact OG1-CB 3.24Å; T250-N329 PolarHBondContact OG1-ND2 3.3Å; N329-I351 PolarHBondContact ND2-O 2.85Å; N329-K352 PolarHBondContact O-NZ 2.91Å; N329-K352 WeakPolarHBondContact OD1-CA 3.39Å; N329-K352 WeakPolarHBondContact OD1-CD 3.47Å; N329-Y353 HydrophobicContact CB-CD2 4.29Å; N329-Y353 PolarHBondContact OD1-N 2.95Å; N329-L417 WeakPolarHBondContact O-CD2 3.44Å
330	T	93.2	Very high	92.9	Very high	21 Å²	21	23.7 Å²	23.7	13%	0.129	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-18.9	-179.2	70.4	0	0	0	0	112.7	R135 E139 N328 V418	R135-T330 WeakPolarHBondContact CD-OG1 3.17Å; R135-T330 PolarHBondContact NH1-OG1 3.28Å; E139-T330 HydrophobicContact CB-CG2 4.13Å; E139-T330 VanDerWaalsContact CD-CG2 3.46Å; E139-T330 HydrophobicContact CG-CG2 3.77Å; N328-T330 PolarHBondContact O-N 2.81Å; N328-T330 PolarHBondContact OD1-OG1 3.01Å; T330-V418 PolarHBondContact O-N 2.73Å
331	S	94.1	Very high	92.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	176.7	-178.3	60	0	0	0	0	111.1	R135 I327 V418	R135-S331 WeakPolarHBondContact CD-OG 3.45Å; I327-S331 WeakPolarHBondContact CD1-O 3.28Å; S331-V418 CarbonylContact C-O 3.56Å; S331-V418 WeakPolarHBondContact CA-O 3.48Å; S331-V418 VanDerWaalsContact CB-O 3.24Å; S331-V418 WeakPolarHBondContact CB-O 3.4Å
332	V	95.3	Very high	92.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.9	163	-173.9	0	0	0	0	107.6	N248 E323 F335 K408 I411 A412 L417 V418 L420	N248-V332 HydrophobicContact CB-CG1 4.33Å; N248-V332 HydrophobicContact CB-CG2 3.97Å; E323-V332 HydrophobicContact CG-CG1 4.38Å; V332-F335 HydrophobicContact CG1-CD1 4.13Å; V332-F335 HydrophobicContact CG1-CE1 3.31Å; V332-F335 HydrophobicContact CG1-CZ 3.87Å; V332-K408 HydrophobicContact CB-CG 4.3Å; V332-K408 HydrophobicContact CG1-CD 4.26Å; V332-K408 HydrophobicContact CG1-CG 3.7Å; V332-I411 HydrophobicContact CG2-CG2 4.4Å; V332-A412 HydrophobicContact CB-CB 4.39Å; V332-A412 HydrophobicContact CG2-CB 4.01Å; V332-L417 HydrophobicContact CG2-CB 3.84Å; V332-L417 HydrophobicContact CG2-CD1 3.38Å; V332-L417 HydrophobicContact CG2-CG 4.24Å; V332-V418 PolarHBondContact N-O 3.46Å; V332-L420 PolarHBondContact O-N 2.82Å
333	M	93.8	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-81.2	172.1	176.8	-68.9	-66	171.9	0	0	111.9	R135 F136 E323 I327 F335 K408 L420 W422	R135-M333 HydrophobicContact CB-CE 3.31Å; R135-M333 HydrophobicContact CG-CE 3.52Å; F136-M333 HydrophobicContact CZ-CE 4.21Å; E323-M333 PolarHBondContact OE2-N 3.37Å; E323-M333 VanDerWaalsContact OE2-N 3.13Å; I327-M333 HydrophobicContact CD1-CG 4.14Å; I327-M333 HydrophobicContact CG2-CE 4.46Å; I327-M333 HydrophobicContact CG2-CG 3.7Å; M333-F335 WeakPolarHBondContact O-CD1 3.1Å; M333-F335 PolarHBondContact O-N 2.9Å; M333-K408 WeakPolarHBondContact O-CD 3.47Å; M333-L420 HydrophobicContact CE-CD1 3.7Å; M333-L420 HydrophobicContact SD-CB 4.15Å; M333-L420 HydrophobicContact SD-CD1 3.89Å; M333-W422 HydrophobicContact SD-CB 4.17Å
334	M	94.7	Very high	92	Very high	54 Å²	54	30.2 Å²	30.2	27%	0.266	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-52	128.1	174.4	-173.9	-168.7	72.8	0	0	111.6	K336 L420 W422 D423	M334-K336 HydrophobicContact CE-CD 4.25Å; M334-L420 PolarHBondContact N-O 3.24Å; M334-W422 VanDerWaalsContact CB-O 3.23Å; M334-W422 WeakPolarHBondContact CB-O 3.36Å; M334-W422 PolarHBondContact N-O 3.22Å; M334-D423 HydrophobicContact CE-CB 3.94Å; M334-D423 WeakPolarHBondContact CE-OD2 3.41Å
335	F	96.5	Very high	92.5	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.031	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-79.5	132.3	173.2	-78.1	7.3	0	0	0	110.8	V246 P322 E323 V332 M333 K337 F340 A404 V407 K408 I411	V246-F335 HydrophobicContact CG1-CD2 4.2Å; V246-F335 HydrophobicContact CG1-CE2 3.54Å; V246-F335 HydrophobicContact CG1-CZ 4.17Å; P322-F335 HydrophobicContact CB-CB 4.01Å; P322-F335 HydrophobicContact CB-CD1 4.3Å; P322-F335 HydrophobicContact CB-CD2 4.24Å; P322-F335 HydrophobicContact CB-CG 3.95Å; P322-F335 HydrophobicContact CG-CB 4.07Å; P322-F335 HydrophobicContact CG-CD1 3.67Å; P322-F335 HydrophobicContact CG-CD2 3.42Å; P322-F335 VanDerWaalsContact CG-CD2 3.42Å; P322-F335 HydrophobicContact CG-CE1 3.82Å; P322-F335 HydrophobicContact CG-CE2 3.58Å; P322-F335 HydrophobicContact CG-CG 3.45Å; P322-F335 VanDerWaalsContact CG-CG 3.45Å; P322-F335 HydrophobicContact CG-CZ 3.78Å; E323-F335 HydrophobicContact CG-CD1 3.84Å; E323-F335 HydrophobicContact CG-CE1 3.56Å; V332-F335 HydrophobicContact CG1-CD1 4.13Å; V332-F335 HydrophobicContact CG1-CE1 3.31Å; V332-F335 HydrophobicContact CG1-CZ 3.87Å; M333-F335 WeakPolarHBondContact O-CD1 3.1Å; M333-F335 PolarHBondContact O-N 2.9Å; F335-K337 PolarHBondContact O-N 2.85Å; F335-F340 HydrophobicContact CB-CE2 4.13Å; F335-F340 HydrophobicContact CB-CZ 4.46Å; F335-F340 HydrophobicContact CD2-CE2 4.19Å; F335-F340 AromaticContact CD2-CZ 3.71Å; F335-F340 HydrophobicContact CD2-CZ 3.71Å; F335-F340 HydrophobicContact CE2-CZ 4.44Å; F335-A404 HydrophobicContact CB-CB 4.14Å; F335-V407 HydrophobicContact CE2-CG1 4.27Å; F335-K408 HydrophobicContact CD1-CB 4.27Å; F335-K408 HydrophobicContact CD1-CD 4.26Å; F335-K408 HydrophobicContact CD1-CG 4.08Å; F335-K408 HydrophobicContact CD2-CB 3.7Å; F335-K408 HydrophobicContact CD2-CG 4.39Å; F335-K408 HydrophobicContact CE1-CB 4.45Å; F335-K408 HydrophobicContact CE1-CG 4.15Å; F335-K408 HydrophobicContact CE2-CB 3.9Å; F335-K408 HydrophobicContact CE2-CG 4.45Å; F335-K408 HydrophobicContact CG-CB 3.92Å; F335-K408 HydrophobicContact CG-CD 4.46Å; F335-K408 HydrophobicContact CG-CG 4.23Å; F335-K408 HydrophobicContact CZ-CB 4.28Å; F335-K408 HydrophobicContact CZ-CG 4.35Å; F335-I411 HydrophobicContact CE2-CD1 3.91Å; F335-I411 HydrophobicContact CZ-CD1 3.95Å
336	K	91.5	Very high	92.9	Very high	81 Å²	81	28.5 Å²	28.5	35%	0.352	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-70.4	129.6	173.7	-57	-68.6	174.4	166.5	0	109.6	P322 M334 G338 F340 D423	P322-K336 WeakPolarHBondContact O-CB 3.47Å; P322-K336 VanDerWaalsContact O-CG 3.23Å; P322-K336 WeakPolarHBondContact O-CG 3.43Å; P322-K336 PolarHBondContact O-N 3.36Å; M334-K336 HydrophobicContact CE-CD 4.25Å; K336-G338 PolarHBondContact O-N 3.1Å; K336-G338 VanDerWaalsContact O-N 3.12Å; K336-F340 WeakPolarHBondContact O-CD2 3.32Å; K336-D423 IonicContact NZ-OD1 3.69Å; K336-D423 PolarHBondContact NZ-OD1 2.81Å; K336-D423 IonicContact NZ-OD2 3.37Å; K336-D423 PolarHBondContact NZ-OD2 2.88Å
337	K	89.8	Confident	93.1	Very high	108 Å²	108	29.4 Å²	29.4	47%	0.47	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-64.1	-16.8	-175.5	73.2	174.5	-170.9	170	0	116.2	F335 S339 F340 D341 A400 V401	F335-K337 PolarHBondContact O-N 2.85Å; K337-S339 VanDerWaalsContact C-N 3.35Å; K337-S339 PolarHBondContact O-N 3.44Å; K337-F340 WeakPolarHBondContact O-CB 3.26Å; K337-F340 PolarHBondContact O-N 3.38Å; K337-D341 PolarHBondContact O-N 3.5Å; K337-A400 HydrophobicContact CB-CB 4.35Å; K337-V401 HydrophobicContact CB-CG2 4.03Å; K337-V401 HydrophobicContact CD-CG2 3.7Å; K337-V401 HydrophobicContact CG-CG2 4.47Å
338	G	87.9	Confident	93.3	Very high	44 Å²	44	29.3 Å²	29.3	45%	0.454	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-58	-39.6	-167.9	0	0	0	0	0	114.6	K336 F340	K336-G338 PolarHBondContact O-N 3.1Å; K336-G338 VanDerWaalsContact O-N 3.12Å; G338-F340 VanDerWaalsContact C-N 3.28Å; G338-F340 PolarHBondContact O-N 2.87Å
339	S	88.9	Confident	93.7	Very high	11 Å²	11	29 Å²	29	8%	0.077	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-72.3	-21.1	176.8	50.6	0	0	0	0	113.8	K337	K337-S339 VanDerWaalsContact C-N 3.35Å; K337-S339 PolarHBondContact O-N 3.44Å
340	F	94.6	Very high	93.8	Very high	3 Å²	3	28.7 Å²	28.7	1%	0.013	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-90.6	-10.5	-174.8	-60.2	-87.9	0	0	0	112.5	V246 P322 F335 K336 K337 G338 V346 A400 F403 A404 V407	V246-F340 HydrophobicContact CG1-CZ 4.13Å; V246-F340 HydrophobicContact CG2-CE1 4.43Å; V246-F340 HydrophobicContact CG2-CZ 4.16Å; P322-F340 HydrophobicContact CB-CE2 3.93Å; P322-F340 HydrophobicContact CB-CZ 4.44Å; P322-F340 HydrophobicContact CG-CE2 4.24Å; P322-F340 HydrophobicContact CG-CZ 4.26Å; F335-F340 HydrophobicContact CB-CE2 4.13Å; F335-F340 HydrophobicContact CB-CZ 4.46Å; F335-F340 HydrophobicContact CD2-CE2 4.19Å; F335-F340 AromaticContact CD2-CZ 3.71Å; F335-F340 HydrophobicContact CD2-CZ 3.71Å; F335-F340 HydrophobicContact CE2-CZ 4.44Å; K336-F340 WeakPolarHBondContact O-CD2 3.32Å; K337-F340 WeakPolarHBondContact O-CB 3.26Å; K337-F340 PolarHBondContact O-N 3.38Å; G338-F340 VanDerWaalsContact C-N 3.28Å; G338-F340 PolarHBondContact O-N 2.87Å; F340-V346 HydrophobicContact CD1-CG2 4.16Å; F340-V346 HydrophobicContact CE1-CG1 4.3Å; F340-V346 HydrophobicContact CE1-CG2 4.24Å; F340-A400 HydrophobicContact CB-CB 4.4Å; F340-F403 HydrophobicContact CB-CD1 3.93Å; F340-F403 AromaticContact CD1-CD1 3.75Å; F340-F403 HydrophobicContact CD1-CD1 3.75Å; F340-F403 AromaticContact CD1-CE1 3.9Å; F340-F403 HydrophobicContact CD1-CE1 3.9Å; F340-F403 HydrophobicContact CD1-CG 4.22Å; F340-F403 HydrophobicContact CD1-CZ 4.49Å; F340-F403 HydrophobicContact CG-CD1 4.34Å; F340-A404 HydrophobicContact CB-CB 4.37Å; F340-A404 HydrophobicContact CD1-CB 4.13Å; F340-A404 HydrophobicContact CD2-CB 3.5Å; F340-A404 VanDerWaalsContact CD2-CB 3.5Å; F340-A404 HydrophobicContact CE1-CB 4.31Å; F340-A404 HydrophobicContact CE2-CB 3.69Å; F340-A404 HydrophobicContact CG-CB 3.73Å; F340-A404 HydrophobicContact CZ-CB 4.1Å; F340-V407 HydrophobicContact CD1-CG2 4.5Å; F340-V407 HydrophobicContact CE1-CB 3.9Å; F340-V407 HydrophobicContact CE1-CG1 4.01Å; F340-V407 HydrophobicContact CE1-CG2 3.93Å; F340-V407 HydrophobicContact CZ-CB 4.49Å; F340-V407 HydrophobicContact CZ-CG1 4.39Å
341	D	91.1	Very high	94.1	Very high	95 Å²	95	27.7 Å²	27.7	51%	0.508	17%	0.166	S	C	.	.	S	Bend	trans	-84.6	-12.8	-179.9	-150.6	24.8	0	0	0	113.1	K337 G343 A400	K337-D341 PolarHBondContact O-N 3.5Å; D341-G343 VanDerWaalsContact C-N 3.3Å; D341-G343 PolarHBondContact O-N 2.91Å; D341-A400 HydrophobicContact CB-CB 4.2Å
342	I	88.6	Confident	94.3	Very high	27 Å²	27	30.2 Å²	30.2	14%	0.138	18%	0.177	C	C	.	.	S	Bend	trans	-78.2	-13.4	-172	-61.1	156.2	0	0	0	112.6	I244 L306 A344	I244-I342 HydrophobicContact CD1-CD1 4.08Å; L306-I342 HydrophobicContact CB-CD1 3.42Å; L306-I342 VanDerWaalsContact CB-CD1 3.42Å; L306-I342 HydrophobicContact CB-CG1 4.41Å; L306-I342 HydrophobicContact CD1-CD1 3.66Å; L306-I342 HydrophobicContact CG-CD1 4.18Å; I342-A344 VanDerWaalsContact C-N 3.28Å; I342-A344 HydrophobicContact CG2-CB 4.48Å; I342-A344 PolarHBondContact O-N 3.32Å
343	G	87	Confident	94.3	Very high	64 Å²	64	30.6 Å²	30.6	66%	0.66	18%	0.178	S	C	*	.			trans	72.2	18.1	-178.1	0	0	0	0	0	114.4	D341	D341-G343 VanDerWaalsContact C-N 3.3Å; D341-G343 PolarHBondContact O-N 2.91Å
344	A	93.9	Very high	94.4	Very high	13 Å²	13	32 Å²	32	11%	0.107	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-82	153	175.8	0	0	0	0	0	111.8	I244 V310 I342 V346	I244-A344 HydrophobicContact CD1-CB 3.76Å; I244-A344 HydrophobicContact CG1-CB 3.87Å; V310-A344 HydrophobicContact CB-CB 4.42Å; V310-A344 HydrophobicContact CG1-CB 3.52Å; V310-A344 HydrophobicContact CG2-CB 4.12Å; I342-A344 VanDerWaalsContact C-N 3.28Å; I342-A344 HydrophobicContact CG2-CB 4.48Å; I342-A344 PolarHBondContact O-N 3.32Å; A344-V346 PolarHBondContact O-N 3.25Å
345	T	97.1	Very high	94.2	Very high	48 Å²	48	30.3 Å²	30.3	29%	0.294	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-63.5	124.7	165.4	-55.2	0	0	0	0	109.8	G243 I244 Y347 P391	G243-T345 WeakPolarHBondContact CA-O 3.08Å; I244-T345 PolarHBondContact N-O 3.45Å; T345-Y347 HydrophobicContact CG2-CD2 4.34Å; T345-Y347 HydrophobicContact CG2-CE2 3.78Å; T345-P391 HydrophobicContact CG2-CB 3.68Å
346	V	98.4	Very high	93.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.3	175.8	175.3	0	0	0	0	108.9	I244 V246 F340 A344 P348 P391 M392 F403 V407	I244-V346 CarbonylContact O-C 3.57Å; I244-V346 WeakPolarHBondContact O-CA 3.33Å; V246-V346 HydrophobicContact CB-CG1 3.84Å; V246-V346 HydrophobicContact CG2-CG1 3.67Å; F340-V346 HydrophobicContact CD1-CG2 4.16Å; F340-V346 HydrophobicContact CE1-CG1 4.3Å; F340-V346 HydrophobicContact CE1-CG2 4.24Å; A344-V346 PolarHBondContact O-N 3.25Å; V346-P348 WeakPolarHBondContact O-CD 3.18Å; V346-P391 CarbonylContact O-C 3.52Å; V346-P391 WeakPolarHBondContact O-CA 3.41Å; V346-M392 PolarHBondContact N-O 2.99Å; V346-M392 PolarHBondContact O-N 3.45Å; V346-F403 HydrophobicContact CB-CE1 4.44Å; V346-F403 HydrophobicContact CB-CZ 3.88Å; V346-F403 HydrophobicContact CG2-CE1 3.7Å; V346-F403 HydrophobicContact CG2-CZ 3.64Å; V346-V407 HydrophobicContact CG1-CG1 4.01Å; V346-V407 HydrophobicContact CG1-CG2 4.24Å
347	Y	98.4	Very high	93.9	Very high	25 Å²	25	31 Å²	31	10%	0.098	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	99.1	173.4	-67.2	-97.3	0	0	0	107.7	P239 K240 I244 C245 V246 T345 P391	P239-Y347 HydrophobicContact CB-CD1 4.42Å; P239-Y347 HydrophobicContact CB-CD2 4.26Å; P239-Y347 HydrophobicContact CB-CG 3.96Å; P239-Y347 HydrophobicContact CG-CG 4.24Å; K240-Y347 WeakPolarHBondContact CB-OH 3.49Å; K240-Y347 HydrophobicContact CG-CE1 4.21Å; I244-Y347 PolarHBondContact O-N 3.32Å; C245-Y347 WeakPolarHBondContact CA-O 3.41Å; V246-Y347 PolarHBondContact N-O 3.12Å; T345-Y347 HydrophobicContact CG2-CD2 4.34Å; T345-Y347 HydrophobicContact CG2-CE2 3.78Å; Y347-P391 HydrophobicContact CD1-CB 3.94Å; Y347-P391 HydrophobicContact CE1-CB 3.77Å; Y347-P391 HydrophobicContact CE1-CG 4.34Å
348	P	98.6	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	140.4	-178.5	-6.2	22.2	0	0	0	110.6	V246 V346 L389 P390 M392 V407 I411	V246-P348 CarbonylContact O-C 3.48Å; V246-P348 WeakPolarHBondContact O-CA 3.42Å; V346-P348 WeakPolarHBondContact O-CD 3.18Å; P348-L389 HydrophobicContact CB-CB 4Å; P348-L389 HydrophobicContact CB-CD2 4.35Å; P348-L389 HydrophobicContact CG-CB 4.18Å; P348-L389 WeakPolarHBondContact O-CB 3.34Å; P348-L389 PolarHBondContact O-N 3.05Å; P348-P390 WeakPolarHBondContact CD-O 3.46Å; P348-M392 HydrophobicContact CG-CG 3.92Å; P348-M392 HydrophobicContact CG-SD 3.5Å; P348-M392 WeakPolarHBondContact CG-SD 3.46Å; P348-V407 HydrophobicContact CB-CG1 4Å; P348-V407 HydrophobicContact CG-CG1 4.13Å; P348-I411 HydrophobicContact CB-CD1 3.91Å; P348-I411 HydrophobicContact CB-CG1 3.73Å
349	V	98.8	Very high	94.1	Very high	1 Å²	1	25 Å²	25	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.6	178.4	-179.2	0	0	0	0	109.4	V246 A247 L258 I351 V386 W387 Y388	V246-V349 PolarHBondContact O-N 2.98Å; A247-V349 VanDerWaalsContact CA-O 3.26Å; A247-V349 WeakPolarHBondContact CA-O 3.22Å; A247-V349 HydrophobicContact CB-CB 4.08Å; L258-V349 HydrophobicContact CD2-CG1 3.78Å; V349-I351 HydrophobicContact CG1-CG1 4.42Å; V349-V386 HydrophobicContact CG1-CG1 3.61Å; V349-W387 VanDerWaalsContact CA-O 3.31Å; V349-W387 WeakPolarHBondContact CA-O 3.19Å; V349-Y388 HydrophobicContact CG1-CD1 4.36Å; V349-Y388 HydrophobicContact CG1-CE1 4.41Å; V349-Y388 HydrophobicContact CG2-CD1 3.68Å; V349-Y388 HydrophobicContact CG2-CE1 4.09Å
350	A	98.6	Very high	94.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.3	172.4	0	0	0	0	0	110.1	N248 V386 W387 L389 I411 K414	N248-A350 WeakPolarHBondContact OD1-CA 3.38Å; A350-V386 WeakPolarHBondContact O-CA 3.15Å; A350-W387 HydrophobicContact CB-CB 4.46Å; A350-W387 HydrophobicContact CB-CE3 4.28Å; A350-W387 PolarHBondContact N-O 3.28Å; A350-W387 PolarHBondContact O-N 2.86Å; A350-L389 HydrophobicContact CB-CD1 4.11Å; A350-I411 HydrophobicContact CB-CG2 4.06Å; A350-K414 HydrophobicContact CB-CB 4.28Å; A350-K414 HydrophobicContact CB-CG 4.4Å
351	I	98.4	Very high	94.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118	173.3	-50.1	178.1	0	0	0	108.4	A247 N248 D254 L258 N329 V349 Y353 C384 S385 V386	A247-I351 HydrophobicContact CB-CD1 4.33Å; N248-I351 PolarHBondContact ND2-O 3.17Å; N248-I351 PolarHBondContact OD1-N 2.47Å; D254-I351 HydrophobicContact CB-CD1 4.13Å; L258-I351 HydrophobicContact CD1-CD1 4.07Å; L258-I351 HydrophobicContact CD2-CD1 3.98Å; L258-I351 HydrophobicContact CD2-CG1 4.33Å; L258-I351 HydrophobicContact CG-CD1 3.96Å; N329-I351 PolarHBondContact ND2-O 2.85Å; V349-I351 HydrophobicContact CG1-CG1 4.42Å; I351-Y353 HydrophobicContact CG2-CD2 4.11Å; I351-Y353 HydrophobicContact CG2-CE2 3.64Å; I351-C384 HydrophobicContact CG2-CB 4.37Å; I351-S385 WeakPolarHBondContact CA-O 3.43Å; I351-V386 HydrophobicContact CG1-CG2 4.42Å; I351-V386 HydrophobicContact CG2-CG2 4.45Å
352	K	97.8	Very high	94.6	Very high	53 Å²	53	22.4 Å²	22.4	23%	0.23	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.1	171.7	-173.2	73.6	-171.6	-179.3	0	109.8	N329 C384 S385 W387 G415 L417	N329-K352 PolarHBondContact O-NZ 2.91Å; N329-K352 WeakPolarHBondContact OD1-CA 3.39Å; N329-K352 WeakPolarHBondContact OD1-CD 3.47Å; K352-C384 CarbonylContact O-C 3.48Å; K352-C384 WeakPolarHBondContact O-CA 3.34Å; K352-C384 WeakPolarHBondContact O-CB 3.23Å; K352-S385 PolarHBondContact N-O 3.45Å; K352-S385 PolarHBondContact O-N 2.89Å; K352-W387 HydrophobicContact CB-CH2 3.92Å; K352-W387 HydrophobicContact CB-CZ3 3.54Å; K352-G415 WeakPolarHBondContact CD-O 3.37Å; K352-L417 HydrophobicContact CD-CD2 3.84Å
353	Y	96.8	Very high	94.7	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.027	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	147.6	172.2	-70.8	-86.6	0	0	0	110.8	T250 D254 I257 N329 I351 P355 A360 I382 V383 C384	T250-Y353 HydrophobicContact CG2-CD2 4Å; T250-Y353 HydrophobicContact CG2-CE2 4.03Å; D254-Y353 WeakPolarHBondContact OD1-CE2 3.49Å; D254-Y353 PolarHBondContact OD1-OH 2.92Å; I257-Y353 HydrophobicContact CD1-CE1 3.68Å; I257-Y353 WeakPolarHBondContact CD1-OH 2.93Å; N329-Y353 HydrophobicContact CB-CD2 4.29Å; N329-Y353 PolarHBondContact OD1-N 2.95Å; I351-Y353 HydrophobicContact CG2-CD2 4.11Å; I351-Y353 HydrophobicContact CG2-CE2 3.64Å; Y353-P355 WeakPolarHBondContact O-CD 3.42Å; Y353-A360 HydrophobicContact CD1-CB 3.44Å; Y353-A360 VanDerWaalsContact CD1-CB 3.44Å; Y353-A360 HydrophobicContact CD2-CB 4.12Å; Y353-A360 HydrophobicContact CE1-CB 3.55Å; Y353-A360 HydrophobicContact CE2-CB 4.21Å; Y353-A360 HydrophobicContact CG-CB 3.73Å; Y353-I382 HydrophobicContact CD1-CG2 3.92Å; Y353-I382 HydrophobicContact CE1-CG2 3.6Å; Y353-V383 WeakPolarHBondContact CA-O 3.3Å; Y353-C384 HydrophobicContact CD1-CB 3.63Å; Y353-C384 HydrophobicContact CE1-CB 3.91Å; Y353-C384 HydrophobicContact CG-CB 4.06Å
354	D	94	Very high	94.7	Very high	30 Å²	30	20.4 Å²	20.4	16%	0.16	10%	0.101	C	C	.	.			trans	-96.7	100.7	168.3	-174	-18.8	0	0	0	108.9	R356 F357 V383	D354-R356 PolarHBondContact O-N 2.7Å; D354-R356 VanDerWaalsContact O-N 3.11Å; D354-R356 WeakPolarHBondContact OD1-CB 3.38Å; D354-R356 VanDerWaalsContact OD1-CG 3.28Å; D354-R356 WeakPolarHBondContact OD1-CG 3.36Å; D354-R356 IonicContact OD1-CZ 2.71Å; D354-R356 PolarHBondContact OD1-N 3.19Å; D354-R356 VanDerWaalsContact OD1-N 3.13Å; D354-R356 IonicContact OD1-NE 3.46Å; D354-R356 PolarHBondContact OD1-NE 3.09Å; D354-R356 IonicContact OD1-NH2 2.77Å; D354-R356 IonicContact OD2-CZ 2.84Å; D354-R356 IonicContact OD2-NE 3.11Å; D354-R356 PolarHBondContact OD2-NE 3.29Å; D354-R356 IonicContact OD2-NH2 2.76Å; D354-R356 PolarHBondContact OD2-NH2 2.95Å; D354-F357 HydrophobicContact CB-CD2 4.15Å; D354-F357 HydrophobicContact CB-CE2 4.48Å; D354-F357 PolarHBondContact O-N 2.82Å; D354-F357 WeakPolarHBondContact OD2-CE2 3.36Å; D354-V383 HydrophobicContact CB-CB 4.09Å; D354-V383 HydrophobicContact CB-CG1 4.09Å; D354-V383 PolarHBondContact N-O 3.31Å
355	P	91.6	Very high	94.4	Very high	18 Å²	18	23.5 Å²	23.5	12%	0.117	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.6	-172.2	33.5	-39.9	0	0	0	112.2	L141 Y353 F357 G358	L141-P355 HydrophobicContact CD2-CB 3.66Å; L141-P355 HydrophobicContact CD2-CG 3.59Å; Y353-P355 WeakPolarHBondContact O-CD 3.42Å; P355-F357 VanDerWaalsContact C-N 3.25Å; P355-F357 PolarHBondContact O-N 2.92Å; P355-G358 PolarHBondContact O-N 3.23Å
356	R	90.5	Very high	93.9	Very high	104 Å²	104	28.1 Å²	28.1	39%	0.392	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.5	178.9	-61.6	176.7	-67.7	-173.4	-2.4	112.1	F55 N145 D354	F55-R356 WeakPolarHBondContact CE2-O 3.2Å; N145-R356 WeakPolarHBondContact CB-O 3.38Å; N145-R356 PolarHBondContact ND2-O 2.98Å; D354-R356 PolarHBondContact O-N 2.7Å; D354-R356 VanDerWaalsContact O-N 3.11Å; D354-R356 WeakPolarHBondContact OD1-CB 3.38Å; D354-R356 VanDerWaalsContact OD1-CG 3.28Å; D354-R356 WeakPolarHBondContact OD1-CG 3.36Å; D354-R356 IonicContact OD1-CZ 2.71Å; D354-R356 PolarHBondContact OD1-N 3.19Å; D354-R356 VanDerWaalsContact OD1-N 3.13Å; D354-R356 IonicContact OD1-NE 3.46Å; D354-R356 PolarHBondContact OD1-NE 3.09Å; D354-R356 IonicContact OD1-NH2 2.77Å; D354-R356 IonicContact OD2-CZ 2.84Å; D354-R356 IonicContact OD2-NE 3.11Å; D354-R356 PolarHBondContact OD2-NE 3.29Å; D354-R356 IonicContact OD2-NH2 2.76Å; D354-R356 PolarHBondContact OD2-NH2 2.95Å
357	F	92	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-27.4	179.5	-63.6	-87.3	0	0	0	113.5	M48 L51 L52 F55 D354 P355 W380 A381 V383	M48-F357 HydrophobicContact CB-CE1 4.19Å; M48-F357 HydrophobicContact CB-CZ 4.12Å; M48-F357 HydrophobicContact CE-CE2 3.94Å; M48-F357 HydrophobicContact CE-CZ 3.77Å; M48-F357 HydrophobicContact CG-CE1 4.09Å; M48-F357 HydrophobicContact CG-CZ 4.12Å; L51-F357 HydrophobicContact CB-CD1 4.43Å; L51-F357 HydrophobicContact CB-CE1 3.95Å; L51-F357 HydrophobicContact CD1-CD1 3.85Å; L51-F357 HydrophobicContact CD1-CE1 4.01Å; L52-F357 HydrophobicContact CD1-CZ 4.02Å; L52-F357 HydrophobicContact CD2-CE2 4.01Å; L52-F357 HydrophobicContact CD2-CZ 3.71Å; L52-F357 HydrophobicContact CG-CE1 4.31Å; L52-F357 HydrophobicContact CG-CE2 4.37Å; L52-F357 HydrophobicContact CG-CZ 3.62Å; F55-F357 HydrophobicContact CE2-CD1 4.18Å; F55-F357 HydrophobicContact CE2-CE1 4.44Å; D354-F357 HydrophobicContact CB-CD2 4.15Å; D354-F357 HydrophobicContact CB-CE2 4.48Å; D354-F357 PolarHBondContact O-N 2.82Å; D354-F357 WeakPolarHBondContact OD2-CE2 3.36Å; P355-F357 VanDerWaalsContact C-N 3.25Å; P355-F357 PolarHBondContact O-N 2.92Å; F357-W380 WeakPolarHBondContact O-CB 3.44Å; F357-W380 PolarHBondContact O-N 3.35Å; F357-W380 VanDerWaalsContact O-N 3.08Å; F357-A381 CarbonylContact C-O 3.59Å; F357-A381 HydrophobicContact CB-CB 4.21Å; F357-A381 WeakPolarHBondContact CB-O 3.18Å; F357-A381 HydrophobicContact CD1-CB 4.47Å; F357-V383 HydrophobicContact CB-CG2 3.93Å; F357-V383 HydrophobicContact CD1-CG2 4.12Å; F357-V383 HydrophobicContact CD2-CB 3.75Å; F357-V383 HydrophobicContact CD2-CG1 4.33Å; F357-V383 HydrophobicContact CD2-CG2 3.45Å; F357-V383 VanDerWaalsContact CD2-CG2 3.45Å; F357-V383 HydrophobicContact CE2-CB 4.22Å; F357-V383 HydrophobicContact CE2-CG1 4.33Å; F357-V383 HydrophobicContact CE2-CG2 3.9Å; F357-V383 HydrophobicContact CG-CB 4.28Å; F357-V383 HydrophobicContact CG-CG2 3.55Å; F357-V383 HydrophobicContact CZ-CG2 4.4Å
358	G	91	Very high	93.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.01	17%	0.171	C	C	.	.			trans	170.1	126.9	-176.6	0	0	0	0	0	110.3	P355 A360	P355-G358 PolarHBondContact O-N 3.23Å; G358-A360 PolarHBondContact O-N 3.25Å
359	D	90.6	Very high	92.7	Very high	24 Å²	24	36.4 Å²	36.4	13%	0.128	19%	0.191	C	C	.	.			trans	-66.5	112.1	173.3	166.5	35.3	0	0	0	110.4	A138 F361 R375 M376	A138-D359 WeakPolarHBondContact CB-OD2 3.47Å; D359-F361 VanDerWaalsContact C-N 3.32Å; D359-F361 WeakPolarHBondContact OD1-CB 3.28Å; D359-F361 PolarHBondContact OD1-N 2.97Å; D359-R375 IonicContact OD2-CZ 3.38Å; D359-R375 IonicContact OD2-NH1 2.78Å; D359-R375 PolarHBondContact OD2-NH1 2.72Å; D359-R375 IonicContact OD2-NH2 2.64Å; D359-M376 WeakPolarHBondContact O-CE 3.2Å; D359-M376 VanDerWaalsContact O-SD 3.38Å
360	A	94.6	Very high	92.3	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	22%	0.222	C	C	.	.			trans	-78	-15.5	180	0	0	0	0	0	113	T250 S251 I253 Y353 G358 W362 Y372	T250-A360 HydrophobicContact CG2-CB 4.29Å; S251-A360 VanDerWaalsContact CB-O 3.32Å; S251-A360 WeakPolarHBondContact CB-O 3.33Å; I253-A360 HydrophobicContact CD1-CB 4.48Å; Y353-A360 HydrophobicContact CD1-CB 3.44Å; Y353-A360 VanDerWaalsContact CD1-CB 3.44Å; Y353-A360 HydrophobicContact CD2-CB 4.12Å; Y353-A360 HydrophobicContact CE1-CB 3.55Å; Y353-A360 HydrophobicContact CE2-CB 4.21Å; Y353-A360 HydrophobicContact CG-CB 3.73Å; G358-A360 PolarHBondContact O-N 3.25Å; A360-W362 PolarHBondContact O-N 2.76Å; A360-Y372 PolarHBondContact O-OH 3.41Å
361	F	94.9	Very high	92	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.022	24%	0.244	C	C	.	.			trans	-60.1	128.7	-171.7	170	-126.3	0	0	0	112.6	F136 T250 C326 I327 N328 D359 N363	F136-F361 VanDerWaalsContact C-CE1 3.41Å; F136-F361 WeakPolarHBondContact O-CE1 3.3Å; F136-F361 VanDerWaalsContact O-CZ 3.31Å; F136-F361 WeakPolarHBondContact O-CZ 3.22Å; T250-F361 HydrophobicContact CG2-CB 4.23Å; C326-F361 HydrophobicContact CB-CE2 4.43Å; C326-F361 WeakPolarHBondContact O-CE2 3.45Å; I327-F361 VanDerWaalsContact C-CE2 3.46Å; I327-F361 VanDerWaalsContact O-CD2 3.29Å; I327-F361 WeakPolarHBondContact O-CD2 3.42Å; N328-F361 HydrophobicContact CB-CB 4.46Å; N328-F361 HydrophobicContact CB-CD1 4.3Å; N328-F361 HydrophobicContact CB-CD2 4.42Å; N328-F361 HydrophobicContact CB-CG 4.14Å; D359-F361 VanDerWaalsContact C-N 3.32Å; D359-F361 WeakPolarHBondContact OD1-CB 3.28Å; D359-F361 PolarHBondContact OD1-N 2.97Å; F361-N363 HydrophobicContact CD1-CB 4.49Å; F361-N363 HydrophobicContact CE1-CB 3.71Å; F361-N363 HydrophobicContact CZ-CB 3.87Å
362	W	94.4	Very high	91.9	Very high	47 Å²	47	44.7 Å²	44.7	18%	0.178	24%	0.244	C	C	.	.			trans	-97.6	102.9	172.8	-176.8	42.7	0	0	0	112.4	T250 P252 A360 S364 F367 M369 Y372	T250-W362 PolarHBondContact O-N 3.19Å; T250-W362 VanDerWaalsContact O-N 3.13Å; P252-W362 HydrophobicContact CG-CB 4.5Å; P252-W362 HydrophobicContact CG-CD2 3.66Å; P252-W362 HydrophobicContact CG-CE3 3.11Å; P252-W362 HydrophobicContact CG-CG 4.29Å; P252-W362 HydrophobicContact CG-CH2 4.22Å; P252-W362 HydrophobicContact CG-CZ3 3.42Å; P252-W362 VanDerWaalsContact CG-CZ3 3.42Å; A360-W362 PolarHBondContact O-N 2.76Å; W362-S364 PolarHBondContact O-N 2.87Å; W362-F367 PolarHBondContact NE1-O 2.97Å; W362-M369 HydrophobicContact CH2-CE 4.24Å; W362-Y372 HydrophobicContact CB-CD1 4.48Å; W362-Y372 HydrophobicContact CB-CD2 3.96Å; W362-Y372 HydrophobicContact CB-CE1 4.3Å; W362-Y372 HydrophobicContact CB-CE2 3.74Å; W362-Y372 HydrophobicContact CB-CG 4.33Å; W362-Y372 AromaticContact CD1-CD1 3.94Å; W362-Y372 AromaticContact CD1-CD2 3.43Å; W362-Y372 VanDerWaalsContact CD1-CD2 3.43Å; W362-Y372 AromaticContact CD1-CG 3.33Å; W362-Y372 HydrophobicContact CG-CD1 4.19Å; W362-Y372 AromaticContact CG-CD2 3.98Å; W362-Y372 HydrophobicContact CG-CD2 3.98Å; W362-Y372 HydrophobicContact CG-CE1 4.46Å; W362-Y372 HydrophobicContact CG-CE2 4.25Å; W362-Y372 AromaticContact CG-CG 3.96Å; W362-Y372 HydrophobicContact CG-CG 3.96Å; W362-Y372 AromaticContact NE1-CG 3.95Å
363	N	90.9	Very high	91.7	Very high	15 Å²	15	45 Å²	45	8%	0.08	25%	0.248	C	C	.	.			trans	-83.4	91.9	165.4	-165.8	-26.3	0	0	0	111.1	F136 F361 S365 K366 F367	F136-N363 PolarHBondContact O-ND2 2.93Å; F361-N363 HydrophobicContact CD1-CB 4.49Å; F361-N363 HydrophobicContact CE1-CB 3.71Å; F361-N363 HydrophobicContact CZ-CB 3.87Å; N363-S365 PolarHBondContact O-N 2.98Å; N363-S365 VanDerWaalsContact O-N 3.08Å; N363-S365 WeakPolarHBondContact OD1-CB 3.43Å; N363-S365 PolarHBondContact OD1-N 3.37Å; N363-K366 HydrophobicContact CB-CB 4.29Å; N363-K366 HydrophobicContact CB-CG 4.42Å; N363-K366 PolarHBondContact O-N 3.08Å; N363-F367 PolarHBondContact O-N 2.99Å
364	S	88.4	Confident	91.6	Very high	33 Å²	33	48.1 Å²	48.1	23%	0.231	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.2	175.8	66.2	0	0	0	0	115.1	W362 K427 R428	W362-S364 PolarHBondContact O-N 2.87Å; S364-K427 PolarHBondContact OG-NZ 3.39Å; S364-R428 PolarHBondContact OG-NH2 2.88Å
365	S	86.3	Confident	91.6	Very high	78 Å²	78	48.4 Å²	48.4	55%	0.545	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.3	180	-51.4	0	0	0	0	112.3	N363	N363-S365 PolarHBondContact O-N 2.98Å; N363-S365 VanDerWaalsContact O-N 3.08Å; N363-S365 WeakPolarHBondContact OD1-CB 3.43Å; N363-S365 PolarHBondContact OD1-N 3.37Å
366	K	86.8	Confident	91.7	Very high	145 Å²	145	47.6 Å²	47.6	63%	0.63	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-34.6	179.2	-66.3	-172.6	178	-176.7	0	112.9	N363	N363-K366 HydrophobicContact CB-CB 4.29Å; N363-K366 HydrophobicContact CB-CG 4.42Å; N363-K366 PolarHBondContact O-N 3.08Å
367	F	88.3	Confident	91.9	Very high	66 Å²	66	43.4 Å²	43.4	29%	0.289	24%	0.243	S	C	.	.			trans	-130.9	127	-171.3	-53.2	-69.3	0	0	0	112.1	W362 N363	W362-F367 PolarHBondContact NE1-O 2.97Å; N363-F367 PolarHBondContact O-N 2.99Å
368	G	91.3	Very high	92.1	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	25%	0.245	S	C	.	.			trans	-66.1	161.6	162.5	0	0	0	0	0	111.8	V370 S371 Y372	G368-V370 PolarHBondContact O-N 3.42Å; G368-S371 PolarHBondContact O-N 2.82Å; G368-Y372 WeakPolarHBondContact O-CB 3.39Å; G368-Y372 PolarHBondContact O-N 2.9Å
369	M	89.8	Confident	92.3	Very high	83 Å²	83	43.6 Å²	43.6	41%	0.409	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-43	-172.2	-173.8	165.7	-74.6	0	0	113.5	P252 W362 Y372 L373	P252-M369 HydrophobicContact CB-CE 4.24Å; P252-M369 HydrophobicContact CG-CE 4.23Å; W362-M369 HydrophobicContact CH2-CE 4.24Å; M369-Y372 PolarHBondContact O-N 3.43Å; M369-L373 HydrophobicContact CG-CD1 4.05Å; M369-L373 HydrophobicContact CG-CG 4.38Å; M369-L373 WeakPolarHBondContact O-CB 3.27Å; M369-L373 VanDerWaalsContact O-CG 3.27Å; M369-L373 WeakPolarHBondContact O-CG 3.24Å; M369-L373 PolarHBondContact O-N 3.3Å
370	V	91.6	Very high	92.5	Very high	109 Å²	109	43 Å²	43	66%	0.661	24%	0.24	S	C	*	.	H	α-helix	trans	-64.8	-48.2	179.5	177.3	0	0	0	0	111.4	G368 Y372 L373 L374	G368-V370 PolarHBondContact O-N 3.42Å; V370-Y372 VanDerWaalsContact C-N 3.3Å; V370-Y372 PolarHBondContact O-N 2.91Å; V370-L373 PolarHBondContact O-N 3.33Å; V370-L374 HydrophobicContact CG1-CD1 4.17Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L374 PolarHBondContact O-N 2.83Å
371	S	92.9	Very high	92.5	Very high	65 Å²	65	42.9 Å²	42.9	46%	0.455	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-42.7	176.8	177.1	0	0	0	0	111.3	G368 L374 R375	G368-S371 PolarHBondContact O-N 2.82Å; S371-L374 PolarHBondContact O-N 3.49Å; S371-R375 WeakPolarHBondContact O-CB 3.28Å; S371-R375 PolarHBondContact O-N 2.84Å
372	Y	94.6	Very high	92.5	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-46.6	173.9	168.7	-101.2	0	0	0	112.6	S251 I253 A360 W362 G368 M369 V370 L374 R375 M376	S251-Y372 WeakPolarHBondContact CB-OH 3.48Å; S251-Y372 WeakPolarHBondContact OG-CE1 3.41Å; S251-Y372 VanDerWaalsContact OG-CZ 3.23Å; S251-Y372 PolarHBondContact OG-OH 3.38Å; I253-Y372 HydrophobicContact CG2-CE1 4.05Å; A360-Y372 PolarHBondContact O-OH 3.41Å; W362-Y372 HydrophobicContact CB-CD1 4.48Å; W362-Y372 HydrophobicContact CB-CD2 3.96Å; W362-Y372 HydrophobicContact CB-CE1 4.3Å; W362-Y372 HydrophobicContact CB-CE2 3.74Å; W362-Y372 HydrophobicContact CB-CG 4.33Å; W362-Y372 AromaticContact CD1-CD1 3.94Å; W362-Y372 AromaticContact CD1-CD2 3.43Å; W362-Y372 VanDerWaalsContact CD1-CD2 3.43Å; W362-Y372 AromaticContact CD1-CG 3.33Å; W362-Y372 HydrophobicContact CG-CD1 4.19Å; W362-Y372 AromaticContact CG-CD2 3.98Å; W362-Y372 HydrophobicContact CG-CD2 3.98Å; W362-Y372 HydrophobicContact CG-CE1 4.46Å; W362-Y372 HydrophobicContact CG-CE2 4.25Å; W362-Y372 AromaticContact CG-CG 3.96Å; W362-Y372 HydrophobicContact CG-CG 3.96Å; W362-Y372 AromaticContact NE1-CG 3.95Å; G368-Y372 WeakPolarHBondContact O-CB 3.39Å; G368-Y372 PolarHBondContact O-N 2.9Å; M369-Y372 PolarHBondContact O-N 3.43Å; V370-Y372 VanDerWaalsContact C-N 3.3Å; V370-Y372 PolarHBondContact O-N 2.91Å; Y372-L374 PolarHBondContact O-N 2.91Å; Y372-R375 WeakPolarHBondContact O-CA 3.21Å; Y372-R375 WeakPolarHBondContact O-CB 3.45Å; Y372-R375 PolarHBondContact O-N 3.39Å; Y372-R375 VanDerWaalsContact O-N 3.09Å; Y372-M376 HydrophobicContact CD2-CE 4.18Å; Y372-M376 HydrophobicContact CD2-CG 4.48Å; Y372-M376 HydrophobicContact CE1-CG 3.88Å; Y372-M376 HydrophobicContact CE2-CE 3.68Å; Y372-M376 HydrophobicContact CE2-CG 3.85Å; Y372-M376 HydrophobicContact CE2-SD 3.76Å; Y372-M376 VanDerWaalsContact CZ-CG 3.47Å; Y372-M376 WeakPolarHBondContact O-CG 3.43Å; Y372-M376 PolarHBondContact O-N 3.5Å; Y372-M376 WeakPolarHBondContact OH-CG 3.2Å; Y372-M376 PolarHBondContact OH-SD 3.21Å; Y372-M376 VanDerWaalsContact OH-SD 3.37Å
373	L	94.5	Very high	92.5	Very high	60 Å²	60	41 Å²	41	31%	0.314	23%	0.233	S	C	.	.	H	α-helix	trans	-64.2	-40.3	178.7	-72.5	173.6	0	0	0	111.8	I253 M369 V370 R375 M376 M377	I253-L373 HydrophobicContact CG2-CD2 4.05Å; M369-L373 HydrophobicContact CG-CD1 4.05Å; M369-L373 HydrophobicContact CG-CG 4.38Å; M369-L373 WeakPolarHBondContact O-CB 3.27Å; M369-L373 VanDerWaalsContact O-CG 3.27Å; M369-L373 WeakPolarHBondContact O-CG 3.24Å; M369-L373 PolarHBondContact O-N 3.3Å; V370-L373 PolarHBondContact O-N 3.33Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 3.22Å; L373-M376 PolarHBondContact O-N 3.35Å; L373-M377 HydrophobicContact CB-CE 3.98Å; L373-M377 WeakPolarHBondContact O-CB 3.31Å; L373-M377 WeakPolarHBondContact O-CE 3.32Å; L373-M377 WeakPolarHBondContact O-CG 3.44Å; L373-M377 PolarHBondContact O-N 3Å
374	L	94.6	Very high	92.8	Very high	73 Å²	73	40.4 Å²	40.4	38%	0.382	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-35.7	172	-69.8	172.3	0	0	0	111.7	L177 V181 V370 S371 Y372 M377 S378	L177-L374 HydrophobicContact CD1-CD2 4.1Å; V181-L374 HydrophobicContact CG2-CD2 4.23Å; V370-L374 HydrophobicContact CG1-CD1 4.17Å; V370-L374 WeakPolarHBondContact O-CG 3.42Å; V370-L374 PolarHBondContact O-N 2.83Å; S371-L374 PolarHBondContact O-N 3.49Å; Y372-L374 PolarHBondContact O-N 2.91Å; L374-M377 HydrophobicContact CD2-CE 4.04Å; L374-M377 PolarHBondContact O-N 3.34Å; L374-S378 VanDerWaalsContact O-CB 3.3Å; L374-S378 WeakPolarHBondContact O-CB 3.19Å; L374-S378 PolarHBondContact O-N 2.68Å; L374-S378 PolarHBondContact O-OG 2.99Å
375	R	93.2	Very high	93.3	Very high	36 Å²	36	40.2 Å²	40.2	14%	0.136	23%	0.229	C	C	.	.	H	α-helix	trans	-60.3	-45.9	171.9	-166	-177.1	-175.9	-120.1	-0.4	110.3	R149 D359 S371 Y372 L373 S378 S379	R149-R375 VanDerWaalsContact CZ-O 3.27Å; R149-R375 PolarHBondContact NH1-O 3.35Å; R149-R375 PolarHBondContact NH2-O 2.89Å; D359-R375 IonicContact OD2-CZ 3.38Å; D359-R375 IonicContact OD2-NH1 2.78Å; D359-R375 PolarHBondContact OD2-NH1 2.72Å; D359-R375 IonicContact OD2-NH2 2.64Å; S371-R375 WeakPolarHBondContact O-CB 3.28Å; S371-R375 PolarHBondContact O-N 2.84Å; Y372-R375 WeakPolarHBondContact O-CA 3.21Å; Y372-R375 WeakPolarHBondContact O-CB 3.45Å; Y372-R375 PolarHBondContact O-N 3.39Å; Y372-R375 VanDerWaalsContact O-N 3.09Å; L373-R375 VanDerWaalsContact C-N 3.29Å; L373-R375 PolarHBondContact O-N 3.22Å; R375-S378 WeakPolarHBondContact CA-OG 3.23Å; R375-S378 PolarHBondContact O-N 3.49Å; R375-S378 PolarHBondContact O-OG 3.33Å; R375-S379 PolarHBondContact O-N 2.69Å; R375-S379 PolarHBondContact O-OG 3.21Å
376	M	94.9	Very high	93.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-45.3	177.2	-61.7	-52.6	91.7	0	0	112	L226 D359 Y372 L373 S378 S379 I382	L226-M376 HydrophobicContact CD2-CB 3.94Å; D359-M376 WeakPolarHBondContact O-CE 3.2Å; D359-M376 VanDerWaalsContact O-SD 3.38Å; Y372-M376 HydrophobicContact CD2-CE 4.18Å; Y372-M376 HydrophobicContact CD2-CG 4.48Å; Y372-M376 HydrophobicContact CE1-CG 3.88Å; Y372-M376 HydrophobicContact CE2-CE 3.68Å; Y372-M376 HydrophobicContact CE2-CG 3.85Å; Y372-M376 HydrophobicContact CE2-SD 3.76Å; Y372-M376 VanDerWaalsContact CZ-CG 3.47Å; Y372-M376 WeakPolarHBondContact O-CG 3.43Å; Y372-M376 PolarHBondContact O-N 3.5Å; Y372-M376 WeakPolarHBondContact OH-CG 3.2Å; Y372-M376 PolarHBondContact OH-SD 3.21Å; Y372-M376 VanDerWaalsContact OH-SD 3.37Å; L373-M376 PolarHBondContact O-N 3.35Å; M376-S378 PolarHBondContact O-N 2.9Å; M376-S379 VanDerWaalsContact O-CB 3.23Å; M376-S379 WeakPolarHBondContact O-CB 3.25Å; M376-S379 PolarHBondContact O-N 3.36Å; M376-S379 PolarHBondContact O-OG 3.06Å; M376-I382 HydrophobicContact CB-CD1 4.27Å; M376-I382 HydrophobicContact CG-CD1 4.46Å; M376-I382 HydrophobicContact SD-CD1 3.73Å
377	M	95.3	Very high	94.4	Very high	16 Å²	16	31.8 Å²	31.8	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-14.7	178.3	-70.3	-174.2	-84.7	0	0	113.4	L177 R180 V181 A184 L226 L373 L374	L177-M377 HydrophobicContact CD1-CB 3.67Å; R180-M377 HydrophobicContact CB-CB 4.09Å; R180-M377 HydrophobicContact CB-CG 4.02Å; R180-M377 HydrophobicContact CB-SD 4.06Å; R180-M377 WeakPolarHBondContact CD-O 3.49Å; R180-M377 PolarHBondContact NH1-O 2.79Å; V181-M377 HydrophobicContact CG2-CE 4.39Å; V181-M377 HydrophobicContact CG2-SD 4.11Å; A184-M377 HydrophobicContact CB-SD 4.26Å; L226-M377 HydrophobicContact CD2-CG 3.86Å; L373-M377 HydrophobicContact CB-CE 3.98Å; L373-M377 WeakPolarHBondContact O-CB 3.31Å; L373-M377 WeakPolarHBondContact O-CE 3.32Å; L373-M377 WeakPolarHBondContact O-CG 3.44Å; L373-M377 PolarHBondContact O-N 3Å; L374-M377 HydrophobicContact CD2-CE 4.04Å; L374-M377 PolarHBondContact O-N 3.34Å
378	S	94.6	Very high	94.9	Very high	5 Å²	5	28.7 Å²	28.7	4%	0.035	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	2.1	171.4	57.1	0	0	0	0	113.6	R149 R172 L374 R375 M376	R149-S378 PolarHBondContact NH1-OG 3.41Å; R149-S378 VanDerWaalsContact NH1-OG 3.09Å; R172-S378 WeakPolarHBondContact CD-O 3.47Å; R172-S378 PolarHBondContact NH1-O 3.25Å; L374-S378 VanDerWaalsContact O-CB 3.3Å; L374-S378 WeakPolarHBondContact O-CB 3.19Å; L374-S378 PolarHBondContact O-N 2.68Å; L374-S378 PolarHBondContact O-OG 2.99Å; R375-S378 WeakPolarHBondContact CA-OG 3.23Å; R375-S378 PolarHBondContact O-N 3.49Å; R375-S378 PolarHBondContact O-OG 3.33Å; M376-S378 PolarHBondContact O-N 2.9Å
379	S	94.9	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-71.1	172.6	168.5	-60.6	0	0	0	0	111.3	R149 R180 R375 M376	R149-S379 PolarHBondContact NH2-OG 3.23Å; R180-S379 PolarHBondContact NH1-O 2.95Å; R375-S379 PolarHBondContact O-N 2.69Å; R375-S379 PolarHBondContact O-OG 3.21Å; M376-S379 VanDerWaalsContact O-CB 3.23Å; M376-S379 WeakPolarHBondContact O-CB 3.25Å; M376-S379 PolarHBondContact O-N 3.36Å; M376-S379 PolarHBondContact O-OG 3.06Å
380	W	95.1	Very high	95.7	Very high	13 Å²	13	26.9 Å²	26.9	5%	0.049	15%	0.152	C	C	.	.	S	Bend	trans	-70.6	-46.2	172.5	-67.5	107.1	0	0	0	112.3	Y47 L51 F55 N145 L146 G168 R172 R180 F357	Y47-W380 PolarHBondContact OH-O 2.86Å; L51-W380 HydrophobicContact CD1-CB 3.74Å; L51-W380 HydrophobicContact CD1-CD2 4.48Å; L51-W380 HydrophobicContact CD1-CE3 4.38Å; L51-W380 HydrophobicContact CD1-CG 4.28Å; L51-W380 HydrophobicContact CD2-CD2 3.9Å; L51-W380 HydrophobicContact CD2-CE3 3.62Å; L51-W380 HydrophobicContact CD2-CG 4.4Å; L51-W380 HydrophobicContact CD2-CH2 4.47Å; L51-W380 HydrophobicContact CD2-CZ3 3.94Å; F55-W380 AromaticContact CE1-CD1 3.9Å; F55-W380 HydrophobicContact CE1-CG 4.41Å; F55-W380 AromaticContact CE1-NE1 3.66Å; F55-W380 HydrophobicContact CZ-CB 4.37Å; F55-W380 AromaticContact CZ-CD1 3.45Å; F55-W380 VanDerWaalsContact CZ-CD1 3.45Å; F55-W380 HydrophobicContact CZ-CD2 4.33Å; F55-W380 AromaticContact CZ-CG 3.82Å; F55-W380 HydrophobicContact CZ-CG 3.82Å; F55-W380 AromaticContact CZ-NE1 3.73Å; N145-W380 PolarHBondContact O-NE1 3.01Å; L146-W380 HydrophobicContact CB-CZ2 4.23Å; L146-W380 HydrophobicContact CD1-CZ2 4.41Å; G168-W380 VanDerWaalsContact CA-CH2 3.47Å; R172-W380 HydrophobicContact CG-CD2 4.33Å; R172-W380 HydrophobicContact CG-CE3 4.02Å; R172-W380 HydrophobicContact CG-CH2 4.42Å; R172-W380 HydrophobicContact CG-CZ3 4.08Å; R180-W380 PolarHBondContact NH2-O 3.38Å; F357-W380 WeakPolarHBondContact O-CB 3.44Å; F357-W380 PolarHBondContact O-N 3.35Å; F357-W380 VanDerWaalsContact O-N 3.08Å
381	A	94.3	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.			trans	-163.9	167.7	173.9	0	0	0	0	0	109	Y47 T227 F357 V383	Y47-A381 HydrophobicContact CE1-CB 4.32Å; T227-A381 HydrophobicContact CG2-CB 4.11Å; T227-A381 WeakPolarHBondContact O-CB 3.19Å; F357-A381 CarbonylContact C-O 3.59Å; F357-A381 HydrophobicContact CB-CB 4.21Å; F357-A381 WeakPolarHBondContact CB-O 3.18Å; F357-A381 HydrophobicContact CD1-CB 4.47Å; A381-V383 HydrophobicContact CB-CG2 3.98Å
382	I	95.4	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107.6	165.1	-57.2	-57.1	0	0	0	107.1	L226 T227 A228 I229 I253 I257 Y353 M376	L226-I382 HydrophobicContact CB-CG1 4.03Å; L226-I382 PolarHBondContact O-N 2.78Å; T227-I382 PolarHBondContact O-N 3.35Å; A228-I382 CarbonylContact C-O 3.54Å; A228-I382 WeakPolarHBondContact CA-O 3.46Å; I229-I382 PolarHBondContact N-O 2.93Å; I253-I382 HydrophobicContact CD1-CG1 4.42Å; I253-I382 HydrophobicContact CD1-CG2 3.99Å; I257-I382 HydrophobicContact CD1-CG2 4.4Å; Y353-I382 HydrophobicContact CD1-CG2 3.92Å; Y353-I382 HydrophobicContact CE1-CG2 3.6Å; M376-I382 HydrophobicContact CB-CD1 4.27Å; M376-I382 HydrophobicContact CG-CD1 4.46Å; M376-I382 HydrophobicContact SD-CD1 3.73Å
383	V	95.2	Very high	96.3	Very high	12 Å²	12	26 Å²	26	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.8	-176.7	179.8	0	0	0	0	108.1	M48 I229 Y353 D354 F357 A381	M48-V383 HydrophobicContact CE-CB 4.43Å; M48-V383 HydrophobicContact CE-CG1 3.54Å; M48-V383 HydrophobicContact CE-CG2 4.03Å; M48-V383 HydrophobicContact SD-CG1 4.44Å; M48-V383 HydrophobicContact SD-CG2 4.35Å; I229-V383 HydrophobicContact CB-CG2 4.26Å; I229-V383 HydrophobicContact CD1-CG2 4.37Å; I229-V383 WeakPolarHBondContact O-CA 3.15Å; Y353-V383 WeakPolarHBondContact CA-O 3.3Å; D354-V383 HydrophobicContact CB-CB 4.09Å; D354-V383 HydrophobicContact CB-CG1 4.09Å; D354-V383 PolarHBondContact N-O 3.31Å; F357-V383 HydrophobicContact CB-CG2 3.93Å; F357-V383 HydrophobicContact CD1-CG2 4.12Å; F357-V383 HydrophobicContact CD2-CB 3.75Å; F357-V383 HydrophobicContact CD2-CG1 4.33Å; F357-V383 HydrophobicContact CD2-CG2 3.45Å; F357-V383 VanDerWaalsContact CD2-CG2 3.45Å; F357-V383 HydrophobicContact CE2-CB 4.22Å; F357-V383 HydrophobicContact CE2-CG1 4.33Å; F357-V383 HydrophobicContact CE2-CG2 3.9Å; F357-V383 HydrophobicContact CG-CB 4.28Å; F357-V383 HydrophobicContact CG-CG2 3.55Å; F357-V383 HydrophobicContact CZ-CG2 4.4Å; A381-V383 HydrophobicContact CB-CG2 3.98Å
384	C	97.2	Very high	96.4	Very high	3 Å²	3	29 Å²	29	2%	0.02	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.1	175.8	62.6	0	0	0	0	112.7	I229 I230 T231 I351 K352 Y353	I229-C384 PolarHBondContact O-N 2.8Å; I230-C384 WeakPolarHBondContact CA-O 3.4Å; T231-C384 PolarHBondContact N-O 3.33Å; I351-C384 HydrophobicContact CG2-CB 4.37Å; K352-C384 CarbonylContact O-C 3.48Å; K352-C384 WeakPolarHBondContact O-CA 3.34Å; K352-C384 WeakPolarHBondContact O-CB 3.23Å; Y353-C384 HydrophobicContact CD1-CB 3.63Å; Y353-C384 HydrophobicContact CE1-CB 3.91Å; Y353-C384 HydrophobicContact CG-CB 4.06Å
385	S	97.8	Very high	96.4	Very high	28 Å²	28	30.6 Å²	30.6	20%	0.196	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.7	167	-78.1	0	0	0	0	109.3	T231 H233 I351 K352 W387	T231-S385 CarbonylContact O-C 3.51Å; T231-S385 WeakPolarHBondContact O-CA 3.48Å; H233-S385 PolarHBondContact NE2-OG 3.43Å; I351-S385 WeakPolarHBondContact CA-O 3.43Å; K352-S385 PolarHBondContact N-O 3.45Å; K352-S385 PolarHBondContact O-N 2.89Å; S385-W387 VanDerWaalsContact CB-CZ2 3.48Å; S385-W387 WeakPolarHBondContact O-CZ3 3.49Å
386	V	98.5	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.6	178.3	176.8	0	0	0	0	107.4	I230 T231 Y232 H233 I257 L258 V349 A350 I351 Y388	I230-V386 HydrophobicContact CG2-CB 4.44Å; I230-V386 HydrophobicContact CG2-CG2 3.7Å; T231-V386 PolarHBondContact O-N 2.7Å; Y232-V386 CarbonylContact C-O 3.58Å; Y232-V386 WeakPolarHBondContact CA-O 2.98Å; Y232-V386 HydrophobicContact CD1-CB 3.73Å; Y232-V386 HydrophobicContact CD1-CG1 3.94Å; Y232-V386 HydrophobicContact CD1-CG2 4.28Å; Y232-V386 HydrophobicContact CE1-CB 4Å; Y232-V386 HydrophobicContact CE1-CG1 4.18Å; Y232-V386 HydrophobicContact CE1-CG2 4.05Å; H233-V386 PolarHBondContact N-O 2.71Å; I257-V386 HydrophobicContact CG2-CG2 3.97Å; L258-V386 HydrophobicContact CD2-CG1 3.65Å; L258-V386 HydrophobicContact CD2-CG2 4.35Å; V349-V386 HydrophobicContact CG1-CG1 3.61Å; A350-V386 WeakPolarHBondContact O-CA 3.15Å; I351-V386 HydrophobicContact CG1-CG2 4.42Å; I351-V386 HydrophobicContact CG2-CG2 4.45Å; V386-Y388 HydrophobicContact CG1-CE1 4.31Å; V386-Y388 HydrophobicContact CG1-CE2 4.27Å
387	W	98.7	Very high	96.4	Very high	47 Å²	47	42.3 Å²	42.3	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.8	175	-64.3	-93.8	0	0	0	109.6	H233 V349 A350 K352 S385 L389 K414	H233-W387 HydrophobicContact CB-CB 4.44Å; H233-W387 HydrophobicContact CB-CG 3.91Å; H233-W387 AromaticContact CD2-CD1 3.67Å; H233-W387 AromaticContact CD2-CD2 3.97Å; H233-W387 AromaticContact CD2-CE2 3.54Å; H233-W387 AromaticContact CD2-NE1 3.32Å; H233-W387 PolarHBondContact CD2-NE1 3.5Å; H233-W387 VanDerWaalsContact CD2-NE1 3.32Å; H233-W387 AromaticContact CG-CD1 3.45Å; H233-W387 VanDerWaalsContact CG-CD1 3.45Å; H233-W387 AromaticContact CG-NE1 3.34Å; H233-W387 VanDerWaalsContact CG-NE1 3.34Å; H233-W387 AromaticContact ND1-NE1 3.8Å; H233-W387 AromaticContact NE2-CE2 3.88Å; H233-W387 AromaticContact NE2-CZ2 3.99Å; H233-W387 AromaticContact NE2-NE1 3.79Å; V349-W387 VanDerWaalsContact CA-O 3.31Å; V349-W387 WeakPolarHBondContact CA-O 3.19Å; A350-W387 HydrophobicContact CB-CB 4.46Å; A350-W387 HydrophobicContact CB-CE3 4.28Å; A350-W387 PolarHBondContact N-O 3.28Å; A350-W387 PolarHBondContact O-N 2.86Å; K352-W387 HydrophobicContact CB-CH2 3.92Å; K352-W387 HydrophobicContact CB-CZ3 3.54Å; S385-W387 VanDerWaalsContact CB-CZ2 3.48Å; S385-W387 WeakPolarHBondContact O-CZ3 3.49Å; W387-L389 HydrophobicContact CB-CD1 4.28Å; W387-L389 WeakPolarHBondContact O-CD1 3.25Å; W387-K414 HydrophobicContact CB-CD 4.47Å; W387-K414 HydrophobicContact CB-CG 3.82Å; W387-K414 HydrophobicContact CG-CD 4.38Å; W387-K414 VanDerWaalsContact CG-CE 3.49Å; W387-K414 HydrophobicContact CG-CG 3.96Å
388	Y	98.7	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.2	169.3	-61.1	-73.5	0	0	0	108.6	Y232 H233 D234 N237 K238 D261 V349 V386	Y232-Y388 AromaticContact CD1-CE2 3.81Å; Y232-Y388 HydrophobicContact CD1-CE2 3.81Å; Y232-Y388 HydrophobicContact CG-CE2 4.48Å; H233-Y388 WeakPolarHBondContact O-CD2 3.26Å; H233-Y388 PolarHBondContact O-N 2.83Å; D234-Y388 VanDerWaalsContact CB-O 3.28Å; D234-Y388 WeakPolarHBondContact CB-O 3.42Å; D234-Y388 WeakPolarHBondContact O-CB 3.46Å; N237-Y388 WeakPolarHBondContact CB-O 3.35Å; N237-Y388 PolarHBondContact ND2-O 3.02Å; K238-Y388 HydrophobicContact CD-CE2 4.44Å; K238-Y388 HydrophobicContact CG-CD1 4.17Å; K238-Y388 HydrophobicContact CG-CD2 3.89Å; K238-Y388 HydrophobicContact CG-CE1 4.15Å; K238-Y388 HydrophobicContact CG-CE2 3.84Å; K238-Y388 HydrophobicContact CG-CG 4.07Å; D261-Y388 PolarHBondContact OD2-OH 3.13Å; V349-Y388 HydrophobicContact CG1-CD1 4.36Å; V349-Y388 HydrophobicContact CG1-CE1 4.41Å; V349-Y388 HydrophobicContact CG2-CD1 3.68Å; V349-Y388 HydrophobicContact CG2-CE1 4.09Å; V386-Y388 HydrophobicContact CG1-CE1 4.31Å; V386-Y388 HydrophobicContact CG1-CE2 4.27Å
389	L	98.7	Very high	96.5	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-85.6	156.7	-179.9	-71.9	75.9	0	0	0	110.4	N237 P348 A350 W387 A410 K414	N237-L389 WeakPolarHBondContact CB-O 3.39Å; P348-L389 HydrophobicContact CB-CB 4Å; P348-L389 HydrophobicContact CB-CD2 4.35Å; P348-L389 HydrophobicContact CG-CB 4.18Å; P348-L389 WeakPolarHBondContact O-CB 3.34Å; P348-L389 PolarHBondContact O-N 3.05Å; A350-L389 HydrophobicContact CB-CD1 4.11Å; W387-L389 HydrophobicContact CB-CD1 4.28Å; W387-L389 WeakPolarHBondContact O-CD1 3.25Å; L389-A410 HydrophobicContact CD2-CB 3.89Å; L389-A410 WeakPolarHBondContact CD2-O 3.43Å; L389-K414 HydrophobicContact CD1-CB 4.17Å; L389-K414 HydrophobicContact CD1-CG 3.98Å; L389-K414 HydrophobicContact CD2-CB 3.98Å; L389-K414 HydrophobicContact CD2-CG 4.45Å; L389-K414 HydrophobicContact CG-CB 4.29Å; L389-K414 HydrophobicContact CG-CG 4.21Å
390	P	98.6	Very high	96.5	Very high	83 Å²	83	46.7 Å²	46.7	54%	0.539	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-50.3	141.4	174.2	-28.5	35.9	0	0	0	112.5	P348	P348-P390 WeakPolarHBondContact CD-O 3.46Å
391	P	98.3	Very high	96.5	Very high	65 Å²	65	49.1 Å²	49.1	42%	0.422	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-61.7	143.1	179.6	25.6	-33.5	0	0	0	111.1	T345 V346 Y347	T345-P391 HydrophobicContact CG2-CB 3.68Å; V346-P391 CarbonylContact O-C 3.52Å; V346-P391 WeakPolarHBondContact O-CA 3.41Å; Y347-P391 HydrophobicContact CD1-CB 3.94Å; Y347-P391 HydrophobicContact CE1-CB 3.77Å; Y347-P391 HydrophobicContact CE1-CG 4.34Å
392	M	98.2	Very high	96.6	Very high	25 Å²	25	53.9 Å²	53.9	12%	0.123	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-122.9	137.9	-178.7	-59.7	174.4	66.1	0	0	109.9	V346 P348 F403 R406 V407 A410	V346-M392 PolarHBondContact N-O 2.99Å; V346-M392 PolarHBondContact O-N 3.45Å; P348-M392 HydrophobicContact CG-CG 3.92Å; P348-M392 HydrophobicContact CG-SD 3.5Å; P348-M392 WeakPolarHBondContact CG-SD 3.46Å; M392-F403 HydrophobicContact CB-CE2 3.9Å; M392-F403 HydrophobicContact CB-CZ 4.31Å; M392-R406 HydrophobicContact CE-CB 4.32Å; M392-R406 HydrophobicContact CE-CG 3.73Å; M392-R406 VanDerWaalsContact CE-NH1 3.26Å; M392-V407 HydrophobicContact CB-CG2 4.35Å; M392-V407 HydrophobicContact CE-CG2 3.75Å; M392-V407 HydrophobicContact SD-CB 4.43Å; M392-V407 HydrophobicContact SD-CG2 3.8Å; M392-A410 HydrophobicContact SD-CB 4.29Å
393	S	96.8	Very high	96.7	Very high	66 Å²	66	54 Å²	54	46%	0.462	30%	0.3	S	S	.	.			trans	-118.6	158.6	168.8	-63.9	0	0	0	0	108.8	E395 R406	S393-E395 PolarHBondContact O-N 3.36Å; S393-R406 PolarHBondContact O-NH2 3.1Å
394	R	95.4	Very high	96.8	Very high	122 Å²	122	53.5 Å²	53.5	46%	0.46	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-61.3	130.4	175	-166.2	171.5	77.9	-175.7	2.2	109.8	E398 F403	R394-E398 WeakPolarHBondContact CA-OE2 3.37Å; R394-E398 WeakPolarHBondContact CD-O 3.48Å; R394-E398 HydrophobicContact CG-CB 4.02Å; R394-E398 HydrophobicContact CG-CG 4.36Å; R394-E398 VanDerWaalsContact CG-O 3.28Å; R394-E398 WeakPolarHBondContact CG-O 3.29Å; R394-E398 PolarHBondContact NE-O 3.17Å; R394-F403 HydrophobicContact CB-CD1 4.01Å; R394-F403 HydrophobicContact CB-CE1 4.34Å; R394-F403 HydrophobicContact CB-CG 4.29Å; R394-F403 HydrophobicContact CG-CB 4.25Å; R394-F403 HydrophobicContact CG-CD1 4.36Å; R394-F403 HydrophobicContact CG-CG 4.37Å
395	E	95.4	Very high	96.8	Very high	108 Å²	108	55.6 Å²	55.6	51%	0.505	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-78.4	165	178.3	-69.8	170.8	-161.6	0	0	111	S393 G397 E398 R406	S393-E395 PolarHBondContact O-N 3.36Å; E395-G397 PolarHBondContact O-N 3.07Å; E395-E398 HydrophobicContact CB-CB 4.03Å; E395-E398 PolarHBondContact N-OE2 3.22Å; E395-E398 WeakPolarHBondContact O-CB 3.43Å; E395-E398 PolarHBondContact O-N 2.94Å; E395-R406 IonicContact OE1-CZ 3.09Å; E395-R406 IonicContact OE1-NE 3.45Å; E395-R406 PolarHBondContact OE1-NE 3.32Å; E395-R406 IonicContact OE1-NH1 2.75Å; E395-R406 PolarHBondContact OE1-NH1 2.97Å; E395-R406 IonicContact OE1-NH2 3.34Å
396	E	93.9	Very high	96.9	Very high	203 Å²	203	57.4 Å²	57.4	95%	0.949	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	130.6	176.4	-170.1	173.8	-176.6	0	0	110.2	E398	E396-E398 PolarHBondContact O-N 2.92Å
397	G	93.7	Very high	96.8	Very high	79 Å²	79	57.4 Å²	57.4	81%	0.814	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-5.1	-175.2	0	0	0	0	0	115.4	E395	E395-G397 PolarHBondContact O-N 3.07Å
398	E	96	Very high	96.8	Very high	24 Å²	24	55.2 Å²	55.2	11%	0.112	30%	0.302	C	S	.	.			trans	-80.4	126.7	177.4	-170	-177.1	-144.6	0	0	110.9	R394 E395 E396 Q402 F403 R406	R394-E398 WeakPolarHBondContact CA-OE2 3.37Å; R394-E398 WeakPolarHBondContact CD-O 3.48Å; R394-E398 HydrophobicContact CG-CB 4.02Å; R394-E398 HydrophobicContact CG-CG 4.36Å; R394-E398 VanDerWaalsContact CG-O 3.28Å; R394-E398 WeakPolarHBondContact CG-O 3.29Å; R394-E398 PolarHBondContact NE-O 3.17Å; E395-E398 HydrophobicContact CB-CB 4.03Å; E395-E398 PolarHBondContact N-OE2 3.22Å; E395-E398 WeakPolarHBondContact O-CB 3.43Å; E395-E398 PolarHBondContact O-N 2.94Å; E396-E398 PolarHBondContact O-N 2.92Å; E398-Q402 HydrophobicContact CG-CB 3.66Å; E398-F403 VanDerWaalsContact CD-CA 3.47Å; E398-F403 HydrophobicContact CG-CB 4.08Å; E398-F403 WeakPolarHBondContact OE1-CA 3.41Å; E398-F403 PolarHBondContact OE1-N 3.18Å; E398-R406 IonicContact OE1-CZ 3.53Å; E398-R406 IonicContact OE1-NE 2.75Å; E398-R406 PolarHBondContact OE1-NE 3.33Å; E398-R406 IonicContact OE1-NH2 2.74Å; E398-R406 PolarHBondContact OE1-NH2 2.88Å; E398-R406 IonicContact OE2-CZ 3.52Å; E398-R406 IonicContact OE2-NE 3.54Å; E398-R406 IonicContact OE2-NH2 3.75Å; E398-R406 PolarHBondContact OE2-NH2 3.33Å
399	D	95.5	Very high	96.8	Very high	79 Å²	79	56.9 Å²	56.9	42%	0.422	31%	0.314	S	S	.	.			trans	-81.5	170.4	172.4	80.8	28.5	0	0	0	112.6	V401 Q402 F403	D399-V401 VanDerWaalsContact C-N 3.25Å; D399-V401 PolarHBondContact O-N 3.17Å; D399-V401 WeakPolarHBondContact OD1-CA 3.2Å; D399-V401 WeakPolarHBondContact OD1-CB 3.27Å; D399-V401 PolarHBondContact OD1-N 3.34Å; D399-Q402 PolarHBondContact O-N 3.1Å; D399-Q402 WeakPolarHBondContact OD1-CG 3.14Å; D399-Q402 PolarHBondContact OD1-N 2.91Å; D399-F403 WeakPolarHBondContact O-CB 3.31Å; D399-F403 PolarHBondContact O-N 2.84Å
400	A	94.7	Very high	96.8	Very high	9 Å²	9	57.3 Å²	57.3	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-26.4	-177.9	0	0	0	0	0	114	K337 F340 D341 A404	K337-A400 HydrophobicContact CB-CB 4.35Å; F340-A400 HydrophobicContact CB-CB 4.4Å; D341-A400 HydrophobicContact CB-CB 4.2Å; A400-A404 VanDerWaalsContact O-CB 3.31Å; A400-A404 WeakPolarHBondContact O-CB 3.23Å; A400-A404 PolarHBondContact O-N 3.22Å; A400-A404 VanDerWaalsContact O-N 3.09Å
401	V	95.4	Very high	96.8	Very high	65 Å²	65	53.4 Å²	53.4	39%	0.394	29%	0.294	S	S	.	.	H	α-helix	trans	-78.5	-45.1	178.7	178	0	0	0	0	110	K337 D399 F403 A404 N405	K337-V401 HydrophobicContact CB-CG2 4.03Å; K337-V401 HydrophobicContact CD-CG2 3.7Å; K337-V401 HydrophobicContact CG-CG2 4.47Å; D399-V401 VanDerWaalsContact C-N 3.25Å; D399-V401 PolarHBondContact O-N 3.17Å; D399-V401 WeakPolarHBondContact OD1-CA 3.2Å; D399-V401 WeakPolarHBondContact OD1-CB 3.27Å; D399-V401 PolarHBondContact OD1-N 3.34Å; V401-F403 VanDerWaalsContact C-N 3.32Å; V401-F403 PolarHBondContact O-N 3.09Å; V401-A404 PolarHBondContact O-N 2.88Å; V401-N405 WeakPolarHBondContact O-CB 3.41Å; V401-N405 PolarHBondContact O-N 2.91Å; V401-N405 PolarHBondContact O-ND2 2.82Å
402	Q	96.8	Very high	96.8	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-58.5	-45.7	173.8	-68.5	172.9	-38.6	0	0	110.4	E398 D399 A404 N405 R406	E398-Q402 HydrophobicContact CG-CB 3.66Å; D399-Q402 PolarHBondContact O-N 3.1Å; D399-Q402 WeakPolarHBondContact OD1-CG 3.14Å; D399-Q402 PolarHBondContact OD1-N 2.91Å; Q402-A404 PolarHBondContact O-N 2.98Å; Q402-N405 PolarHBondContact O-N 3.48Å; Q402-R406 PolarHBondContact O-N 2.87Å
403	F	97.8	Very high	96.8	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-45.7	175.5	-177.4	-147.1	0	0	0	112.7	F340 V346 M392 R394 E398 D399 V401 N405 R406 V407	F340-F403 HydrophobicContact CB-CD1 3.93Å; F340-F403 AromaticContact CD1-CD1 3.75Å; F340-F403 HydrophobicContact CD1-CD1 3.75Å; F340-F403 AromaticContact CD1-CE1 3.9Å; F340-F403 HydrophobicContact CD1-CE1 3.9Å; F340-F403 HydrophobicContact CD1-CG 4.22Å; F340-F403 HydrophobicContact CD1-CZ 4.49Å; F340-F403 HydrophobicContact CG-CD1 4.34Å; V346-F403 HydrophobicContact CB-CE1 4.44Å; V346-F403 HydrophobicContact CB-CZ 3.88Å; V346-F403 HydrophobicContact CG2-CE1 3.7Å; V346-F403 HydrophobicContact CG2-CZ 3.64Å; M392-F403 HydrophobicContact CB-CE2 3.9Å; M392-F403 HydrophobicContact CB-CZ 4.31Å; R394-F403 HydrophobicContact CB-CD1 4.01Å; R394-F403 HydrophobicContact CB-CE1 4.34Å; R394-F403 HydrophobicContact CB-CG 4.29Å; R394-F403 HydrophobicContact CG-CB 4.25Å; R394-F403 HydrophobicContact CG-CD1 4.36Å; R394-F403 HydrophobicContact CG-CG 4.37Å; E398-F403 VanDerWaalsContact CD-CA 3.47Å; E398-F403 HydrophobicContact CG-CB 4.08Å; E398-F403 WeakPolarHBondContact OE1-CA 3.41Å; E398-F403 PolarHBondContact OE1-N 3.18Å; D399-F403 WeakPolarHBondContact O-CB 3.31Å; D399-F403 PolarHBondContact O-N 2.84Å; V401-F403 VanDerWaalsContact C-N 3.32Å; V401-F403 PolarHBondContact O-N 3.09Å; F403-N405 VanDerWaalsContact C-N 3.29Å; F403-N405 PolarHBondContact O-N 3.26Å; F403-R406 VanDerWaalsContact CE2-NH2 3.3Å; F403-R406 PolarHBondContact O-N 3.21Å; F403-V407 HydrophobicContact CD2-CG2 3.79Å; F403-V407 HydrophobicContact CE2-CG2 3.43Å; F403-V407 VanDerWaalsContact CE2-CG2 3.43Å; F403-V407 HydrophobicContact CZ-CG2 4.05Å; F403-V407 WeakPolarHBondContact O-CG2 3.36Å; F403-V407 PolarHBondContact O-N 3.46Å
404	A	97.5	Very high	96.9	Very high	1 Å²	1	60 Å²	60	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-41.8	175.6	0	0	0	0	0	112	F335 F340 A400 V401 Q402 K408	F335-A404 HydrophobicContact CB-CB 4.14Å; F340-A404 HydrophobicContact CB-CB 4.37Å; F340-A404 HydrophobicContact CD1-CB 4.13Å; F340-A404 HydrophobicContact CD2-CB 3.5Å; F340-A404 VanDerWaalsContact CD2-CB 3.5Å; F340-A404 HydrophobicContact CE1-CB 4.31Å; F340-A404 HydrophobicContact CE2-CB 3.69Å; F340-A404 HydrophobicContact CG-CB 3.73Å; F340-A404 HydrophobicContact CZ-CB 4.1Å; A400-A404 VanDerWaalsContact O-CB 3.31Å; A400-A404 WeakPolarHBondContact O-CB 3.23Å; A400-A404 PolarHBondContact O-N 3.22Å; A400-A404 VanDerWaalsContact O-N 3.09Å; V401-A404 PolarHBondContact O-N 2.88Å; Q402-A404 PolarHBondContact O-N 2.98Å; A404-K408 VanDerWaalsContact O-CB 3.26Å; A404-K408 WeakPolarHBondContact O-CB 3.36Å; A404-K408 PolarHBondContact O-N 3.34Å
405	N	97.5	Very high	96.9	Very high	48 Å²	48	54.4 Å²	54.4	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-66.2	-44.4	177.2	-76.6	-30.3	0	0	0	111.9	V401 Q402 F403 V407 K408 S409	V401-N405 WeakPolarHBondContact O-CB 3.41Å; V401-N405 PolarHBondContact O-N 2.91Å; V401-N405 PolarHBondContact O-ND2 2.82Å; Q402-N405 PolarHBondContact O-N 3.48Å; F403-N405 VanDerWaalsContact C-N 3.29Å; F403-N405 PolarHBondContact O-N 3.26Å; N405-V407 VanDerWaalsContact C-N 3.34Å; N405-V407 PolarHBondContact O-N 3.27Å; N405-K408 WeakPolarHBondContact O-CB 3.36Å; N405-K408 PolarHBondContact O-N 3.37Å; N405-S409 WeakPolarHBondContact O-CB 3.21Å; N405-S409 PolarHBondContact O-N 2.78Å; N405-S409 PolarHBondContact O-OG 2.92Å
406	R	98	Very high	96.9	Very high	66 Å²	66	52.2 Å²	52.2	25%	0.249	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-43.7	177.2	-170.3	175.1	49.2	105	1	111.8	M392 S393 E395 E398 Q402 F403 S409 A410	M392-R406 HydrophobicContact CE-CB 4.32Å; M392-R406 HydrophobicContact CE-CG 3.73Å; M392-R406 VanDerWaalsContact CE-NH1 3.26Å; S393-R406 PolarHBondContact O-NH2 3.1Å; E395-R406 IonicContact OE1-CZ 3.09Å; E395-R406 IonicContact OE1-NE 3.45Å; E395-R406 PolarHBondContact OE1-NE 3.32Å; E395-R406 IonicContact OE1-NH1 2.75Å; E395-R406 PolarHBondContact OE1-NH1 2.97Å; E395-R406 IonicContact OE1-NH2 3.34Å; E398-R406 IonicContact OE1-CZ 3.53Å; E398-R406 IonicContact OE1-NE 2.75Å; E398-R406 PolarHBondContact OE1-NE 3.33Å; E398-R406 IonicContact OE1-NH2 2.74Å; E398-R406 PolarHBondContact OE1-NH2 2.88Å; E398-R406 IonicContact OE2-CZ 3.52Å; E398-R406 IonicContact OE2-NE 3.54Å; E398-R406 IonicContact OE2-NH2 3.75Å; E398-R406 PolarHBondContact OE2-NH2 3.33Å; Q402-R406 PolarHBondContact O-N 2.87Å; F403-R406 VanDerWaalsContact CE2-NH2 3.3Å; F403-R406 PolarHBondContact O-N 3.21Å; R406-S409 PolarHBondContact O-N 3.4Å; R406-A410 PolarHBondContact O-N 3.23Å
407	V	98.4	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-45.6	175	173.8	0	0	0	0	111.2	V246 F335 F340 V346 P348 M392 F403 N405 A410 I411	V246-V407 HydrophobicContact CG1-CG1 4.09Å; F335-V407 HydrophobicContact CE2-CG1 4.27Å; F340-V407 HydrophobicContact CD1-CG2 4.5Å; F340-V407 HydrophobicContact CE1-CB 3.9Å; F340-V407 HydrophobicContact CE1-CG1 4.01Å; F340-V407 HydrophobicContact CE1-CG2 3.93Å; F340-V407 HydrophobicContact CZ-CB 4.49Å; F340-V407 HydrophobicContact CZ-CG1 4.39Å; V346-V407 HydrophobicContact CG1-CG1 4.01Å; V346-V407 HydrophobicContact CG1-CG2 4.24Å; P348-V407 HydrophobicContact CB-CG1 4Å; P348-V407 HydrophobicContact CG-CG1 4.13Å; M392-V407 HydrophobicContact CB-CG2 4.35Å; M392-V407 HydrophobicContact CE-CG2 3.75Å; M392-V407 HydrophobicContact SD-CB 4.43Å; M392-V407 HydrophobicContact SD-CG2 3.8Å; F403-V407 HydrophobicContact CD2-CG2 3.79Å; F403-V407 HydrophobicContact CE2-CG2 3.43Å; F403-V407 VanDerWaalsContact CE2-CG2 3.43Å; F403-V407 HydrophobicContact CZ-CG2 4.05Å; F403-V407 WeakPolarHBondContact O-CG2 3.36Å; F403-V407 PolarHBondContact O-N 3.46Å; N405-V407 VanDerWaalsContact C-N 3.34Å; N405-V407 PolarHBondContact O-N 3.27Å; V407-A410 PolarHBondContact O-N 2.88Å; V407-I411 HydrophobicContact CG1-CD1 4.16Å; V407-I411 WeakPolarHBondContact O-CG1 3.49Å; V407-I411 PolarHBondContact O-N 2.58Å
408	K	98.1	Very high	97	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-49.9	176.1	-179.8	-173.7	55.6	139.4	0	111.3	V332 M333 F335 A404 N405 A410 I411 A412 D419 L420	V332-K408 HydrophobicContact CB-CG 4.3Å; V332-K408 HydrophobicContact CG1-CD 4.26Å; V332-K408 HydrophobicContact CG1-CG 3.7Å; M333-K408 WeakPolarHBondContact O-CD 3.47Å; F335-K408 HydrophobicContact CD1-CB 4.27Å; F335-K408 HydrophobicContact CD1-CD 4.26Å; F335-K408 HydrophobicContact CD1-CG 4.08Å; F335-K408 HydrophobicContact CD2-CB 3.7Å; F335-K408 HydrophobicContact CD2-CG 4.39Å; F335-K408 HydrophobicContact CE1-CB 4.45Å; F335-K408 HydrophobicContact CE1-CG 4.15Å; F335-K408 HydrophobicContact CE2-CB 3.9Å; F335-K408 HydrophobicContact CE2-CG 4.45Å; F335-K408 HydrophobicContact CG-CB 3.92Å; F335-K408 HydrophobicContact CG-CD 4.46Å; F335-K408 HydrophobicContact CG-CG 4.23Å; F335-K408 HydrophobicContact CZ-CB 4.28Å; F335-K408 HydrophobicContact CZ-CG 4.35Å; A404-K408 VanDerWaalsContact O-CB 3.26Å; A404-K408 WeakPolarHBondContact O-CB 3.36Å; A404-K408 PolarHBondContact O-N 3.34Å; N405-K408 WeakPolarHBondContact O-CB 3.36Å; N405-K408 PolarHBondContact O-N 3.37Å; K408-A410 VanDerWaalsContact C-N 3.3Å; K408-A410 PolarHBondContact O-N 3.29Å; K408-I411 PolarHBondContact O-N 3.05Å; K408-A412 WeakPolarHBondContact O-CB 3.31Å; K408-A412 PolarHBondContact O-N 2.72Å; K408-D419 WeakPolarHBondContact CD-OD1 3.47Å; K408-D419 WeakPolarHBondContact CE-OD1 3.49Å; K408-D419 IonicContact NZ-OD1 2.7Å; K408-D419 PolarHBondContact NZ-OD1 3.32Å; K408-L420 PolarHBondContact NZ-O 3.3Å
409	S	98.3	Very high	97	Very high	35 Å²	35	44 Å²	44	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-36.3	179.9	-60.1	0	0	0	0	112.2	N405 R406 R413 D419	N405-S409 WeakPolarHBondContact O-CB 3.21Å; N405-S409 PolarHBondContact O-N 2.78Å; N405-S409 PolarHBondContact O-OG 2.92Å; R406-S409 PolarHBondContact O-N 3.4Å; S409-R413 WeakPolarHBondContact O-CB 3.35Å; S409-R413 PolarHBondContact O-N 2.9Å; S409-D419 WeakPolarHBondContact CA-OD2 3.33Å; S409-D419 VanDerWaalsContact CB-OD2 3.31Å; S409-D419 WeakPolarHBondContact CB-OD2 3.38Å; S409-D419 PolarHBondContact OG-OD2 3.14Å
410	A	98.6	Very high	96.8	Very high	23 Å²	23	40.7 Å²	40.7	19%	0.19	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-46.2	174	0	0	0	0	0	111.9	L389 M392 R406 V407 K408 K414	L389-A410 HydrophobicContact CD2-CB 3.89Å; L389-A410 WeakPolarHBondContact CD2-O 3.43Å; M392-A410 HydrophobicContact SD-CB 4.29Å; R406-A410 PolarHBondContact O-N 3.23Å; V407-A410 PolarHBondContact O-N 2.88Å; K408-A410 VanDerWaalsContact C-N 3.3Å; K408-A410 PolarHBondContact O-N 3.29Å; A410-K414 WeakPolarHBondContact O-CB 3.44Å; A410-K414 PolarHBondContact O-N 3.18Å
411	I	98.7	Very high	96.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-47.5	176.2	-70.9	172.9	0	0	0	110.8	V246 N248 V332 F335 P348 A350 V407 K408 R413 K414 G415	V246-I411 HydrophobicContact CG1-CD1 4Å; N248-I411 HydrophobicContact CB-CG2 3.98Å; V332-I411 HydrophobicContact CG2-CG2 4.4Å; F335-I411 HydrophobicContact CE2-CD1 3.91Å; F335-I411 HydrophobicContact CZ-CD1 3.95Å; P348-I411 HydrophobicContact CB-CD1 3.91Å; P348-I411 HydrophobicContact CB-CG1 3.73Å; A350-I411 HydrophobicContact CB-CG2 4.06Å; V407-I411 HydrophobicContact CG1-CD1 4.16Å; V407-I411 WeakPolarHBondContact O-CG1 3.49Å; V407-I411 PolarHBondContact O-N 2.58Å; K408-I411 PolarHBondContact O-N 3.05Å; I411-R413 PolarHBondContact O-N 3.17Å; I411-K414 PolarHBondContact O-N 2.88Å; I411-G415 PolarHBondContact O-N 3.42Å
412	A	98.1	Very high	96.2	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-47	-179.6	0	0	0	0	0	111.3	V332 K408 G415 G416 L417 D419	V332-A412 HydrophobicContact CB-CB 4.39Å; V332-A412 HydrophobicContact CG2-CB 4.01Å; K408-A412 WeakPolarHBondContact O-CB 3.31Å; K408-A412 PolarHBondContact O-N 2.72Å; A412-G415 PolarHBondContact O-N 3.19Å; A412-G416 PolarHBondContact O-N 2.94Å; A412-L417 HydrophobicContact CB-CB 4.42Å; A412-L417 PolarHBondContact O-N 3.29Å; A412-D419 HydrophobicContact CB-CB 3.95Å
413	R	98.3	Very high	95.9	Very high	203 Å²	203	46 Å²	46	77%	0.766	24%	0.237	S	C	*	.	H	α-helix	trans	-60.8	-48.6	177.3	-172.3	-175.4	-57.6	150	3.9	112.3	S409 I411 G415 G416	S409-R413 WeakPolarHBondContact O-CB 3.35Å; S409-R413 PolarHBondContact O-N 2.9Å; I411-R413 PolarHBondContact O-N 3.17Å; R413-G415 VanDerWaalsContact C-N 3.34Å; R413-G415 PolarHBondContact O-N 3.46Å; R413-G416 PolarHBondContact O-N 2.85Å
414	K	98.3	Very high	95.3	Very high	89 Å²	89	46 Å²	46	39%	0.387	24%	0.237	S	C	.	.	H	α-helix	trans	-66.6	-38	-179.1	-173.3	72.7	176.8	-158.1	0	111.8	D234 A350 W387 L389 A410 I411 G416	D234-K414 IonicContact OD2-NZ 2.67Å; D234-K414 PolarHBondContact OD2-NZ 2.89Å; A350-K414 HydrophobicContact CB-CB 4.28Å; A350-K414 HydrophobicContact CB-CG 4.4Å; W387-K414 HydrophobicContact CB-CD 4.47Å; W387-K414 HydrophobicContact CB-CG 3.82Å; W387-K414 HydrophobicContact CG-CD 4.38Å; W387-K414 VanDerWaalsContact CG-CE 3.49Å; W387-K414 HydrophobicContact CG-CG 3.96Å; L389-K414 HydrophobicContact CD1-CB 4.17Å; L389-K414 HydrophobicContact CD1-CG 3.98Å; L389-K414 HydrophobicContact CD2-CB 3.98Å; L389-K414 HydrophobicContact CD2-CG 4.45Å; L389-K414 HydrophobicContact CG-CB 4.29Å; L389-K414 HydrophobicContact CG-CG 4.21Å; A410-K414 WeakPolarHBondContact O-CB 3.44Å; A410-K414 PolarHBondContact O-N 3.18Å; I411-K414 PolarHBondContact O-N 2.88Å; K414-G416 VanDerWaalsContact C-N 3.34Å
415	G	95.9	Very high	94.8	Very high	6 Å²	6	47.1 Å²	47.1	6%	0.062	25%	0.25	C	C	.	.	H	α-helix	trans	-79.6	-9	179	0	0	0	0	0	114.9	K352 I411 A412 R413 L417	K352-G415 WeakPolarHBondContact CD-O 3.37Å; I411-G415 PolarHBondContact O-N 3.42Å; A412-G415 PolarHBondContact O-N 3.19Å; R413-G415 VanDerWaalsContact C-N 3.34Å; R413-G415 PolarHBondContact O-N 3.46Å; G415-L417 VanDerWaalsContact C-N 3.34Å
416	G	96.1	Very high	94.3	Very high	61 Å²	61	46.9 Å²	46.9	63%	0.629	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	42.2	-171.5	0	0	0	0	0	112.1	A412 R413 K414	A412-G416 PolarHBondContact O-N 2.94Å; R413-G416 PolarHBondContact O-N 2.85Å; K414-G416 VanDerWaalsContact C-N 3.34Å
417	L	95.3	Very high	93.6	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.068	24%	0.243	C	C	.	.			trans	-109.4	145.9	-178.6	-55	172.5	0	0	0	109.5	N248 N329 V332 K352 A412 G415 D419	N248-L417 HydrophobicContact CB-CD1 4.38Å; N329-L417 WeakPolarHBondContact O-CD2 3.44Å; V332-L417 HydrophobicContact CG2-CB 3.84Å; V332-L417 HydrophobicContact CG2-CD1 3.38Å; V332-L417 HydrophobicContact CG2-CG 4.24Å; K352-L417 HydrophobicContact CD-CD2 3.84Å; A412-L417 HydrophobicContact CB-CB 4.42Å; A412-L417 PolarHBondContact O-N 3.29Å; G415-L417 VanDerWaalsContact C-N 3.34Å; L417-D419 PolarHBondContact O-N 3.43Å
418	V	94.2	Very high	92.9	Very high	61 Å²	61	53.5 Å²	53.5	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.1	173.1	-177.5	0	0	0	0	109.8	T330 S331 V332 L420	T330-V418 PolarHBondContact O-N 2.73Å; S331-V418 CarbonylContact C-O 3.56Å; S331-V418 WeakPolarHBondContact CA-O 3.48Å; S331-V418 VanDerWaalsContact CB-O 3.24Å; S331-V418 WeakPolarHBondContact CB-O 3.4Å; V332-V418 PolarHBondContact N-O 3.46Å; V418-L420 HydrophobicContact CG1-CD2 3.79Å; V418-L420 HydrophobicContact CG1-CG 4.17Å; V418-L420 PolarHBondContact O-N 3.13Å
419	D	94.8	Very high	92.2	Very high	61 Å²	61	58.9 Å²	58.9	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	107.1	178.2	-171.9	-6.3	0	0	0	110.4	K408 S409 A412 L417	K408-D419 WeakPolarHBondContact CD-OD1 3.47Å; K408-D419 WeakPolarHBondContact CE-OD1 3.49Å; K408-D419 IonicContact NZ-OD1 2.7Å; K408-D419 PolarHBondContact NZ-OD1 3.32Å; S409-D419 WeakPolarHBondContact CA-OD2 3.33Å; S409-D419 VanDerWaalsContact CB-OD2 3.31Å; S409-D419 WeakPolarHBondContact CB-OD2 3.38Å; S409-D419 PolarHBondContact OG-OD2 3.14Å; A412-D419 HydrophobicContact CB-CB 3.95Å; L417-D419 PolarHBondContact O-N 3.43Å
420	L	91.8	Very high	91.5	Very high	8 Å²	8	66 Å²	66	4%	0.042	33%	0.329	C	S	.	.			trans	-104.7	141.4	-177.2	-63.3	176.9	0	0	0	111.9	R135 V332 M333 M334 K408 V418 W422	R135-L420 HydrophobicContact CG-CD1 3.88Å; V332-L420 PolarHBondContact O-N 2.82Å; M333-L420 HydrophobicContact CE-CD1 3.7Å; M333-L420 HydrophobicContact SD-CB 4.15Å; M333-L420 HydrophobicContact SD-CD1 3.89Å; M334-L420 PolarHBondContact N-O 3.24Å; K408-L420 PolarHBondContact NZ-O 3.3Å; V418-L420 HydrophobicContact CG1-CD2 3.79Å; V418-L420 HydrophobicContact CG1-CG 4.17Å; V418-L420 PolarHBondContact O-N 3.13Å; L420-W422 VanDerWaalsContact C-N 3.29Å
421	L	89.6	Confident	90.8	Very high	138 Å²	138	67.7 Å²	67.7	72%	0.723	34%	0.337	S	S	*	.			trans	-83.6	-7.6	175.1	-62.1	175.8	0	0	0	113
422	W	89.2	Confident	90.1	Very high	105 Å²	105	74.4 Å²	74.4	40%	0.398	37%	0.366	S	S	.	.	S	Bend	trans	-76.7	143.6	-173.6	-62.8	112.5	0	0	0	113.1	V132 M333 M334 L420 L426	V132-W422 HydrophobicContact CG2-CB 4.01Å; V132-W422 VanDerWaalsContact CG2-CD1 3.45Å; V132-W422 HydrophobicContact CG2-CD2 3.88Å; V132-W422 HydrophobicContact CG2-CG 3.51Å; M333-W422 HydrophobicContact SD-CB 4.17Å; M334-W422 VanDerWaalsContact CB-O 3.23Å; M334-W422 WeakPolarHBondContact CB-O 3.36Å; M334-W422 PolarHBondContact N-O 3.22Å; L420-W422 VanDerWaalsContact C-N 3.29Å; W422-L426 HydrophobicContact CB-CD1 4.27Å; W422-L426 HydrophobicContact CD2-CD1 4.44Å; W422-L426 HydrophobicContact CE3-CD1 3.8Å
423	D	89.3	Confident	89.7	Confident	43 Å²	43	79.1 Å²	79.1	23%	0.23	39%	0.391	C	S	.	.			trans	-76.2	127.1	175.7	-165.7	-50.6	0	0	0	110.6	M334 K336 G425 L426	M334-D423 HydrophobicContact CE-CB 3.94Å; M334-D423 WeakPolarHBondContact CE-OD2 3.41Å; K336-D423 IonicContact NZ-OD1 3.69Å; K336-D423 PolarHBondContact NZ-OD1 2.81Å; K336-D423 IonicContact NZ-OD2 3.37Å; K336-D423 PolarHBondContact NZ-OD2 2.88Å; D423-G425 PolarHBondContact O-N 3.26Å; D423-G425 PolarHBondContact OD1-N 2.92Å; D423-L426 WeakPolarHBondContact O-CB 3.48Å; D423-L426 VanDerWaalsContact O-CG 3.31Å; D423-L426 WeakPolarHBondContact O-CG 3.39Å; D423-L426 PolarHBondContact O-N 3.43Å
424	G	86.3	Confident	89.2	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.01	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-58.5	-19.6	176.5	0	0	0	0	0	114.6	F136 L426 K427	F136-G424 WeakPolarHBondContact CZ-O 3.16Å; G424-L426 PolarHBondContact O-N 2.95Å; G424-K427 WeakPolarHBondContact O-CB 3.37Å; G424-K427 PolarHBondContact O-N 3.08Å
425	G	85.4	Confident	88.6	Confident	26 Å²	26	73.6 Å²	73.6	27%	0.268	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-60.7	-23.4	173.2	0	0	0	0	0	113.9	D423 K427 R428 D429	D423-G425 PolarHBondContact O-N 3.26Å; D423-G425 PolarHBondContact OD1-N 2.92Å; G425-K427 PolarHBondContact O-N 3.38Å; G425-R428 PolarHBondContact O-N 2.89Å; G425-D429 PolarHBondContact O-N 2.92Å
426	L	87.4	Confident	88.2	Confident	43 Å²	43	77.6 Å²	77.6	23%	0.225	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-60.7	-10.4	175.2	-65.5	175.9	0	0	0	113.6	V132 W422 D423 G424 R428 V431	V132-L426 HydrophobicContact CG1-CB 4.08Å; V132-L426 HydrophobicContact CG1-CD1 4.28Å; W422-L426 HydrophobicContact CB-CD1 4.27Å; W422-L426 HydrophobicContact CD2-CD1 4.44Å; W422-L426 HydrophobicContact CE3-CD1 3.8Å; D423-L426 WeakPolarHBondContact O-CB 3.48Å; D423-L426 VanDerWaalsContact O-CG 3.31Å; D423-L426 WeakPolarHBondContact O-CG 3.39Å; D423-L426 PolarHBondContact O-N 3.43Å; G424-L426 PolarHBondContact O-N 2.95Å; L426-R428 PolarHBondContact O-N 3.48Å; L426-V431 HydrophobicContact CD2-CB 4.49Å; L426-V431 HydrophobicContact CD2-CG2 3.96Å
427	K	83.7	Confident	88	Confident	34 Å²	34	78.8 Å²	78.8	15%	0.148	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-56.3	-31.3	167.1	-172.5	177.2	-173.8	172.1	0	113.3	F136 S364 G424 G425	F136-K427 HydrophobicContact CB-CG 4.26Å; F136-K427 HydrophobicContact CD1-CB 3.86Å; F136-K427 HydrophobicContact CD1-CD 3.62Å; F136-K427 HydrophobicContact CD1-CG 3.74Å; F136-K427 HydrophobicContact CD2-CB 4.06Å; F136-K427 HydrophobicContact CD2-CG 4.22Å; F136-K427 HydrophobicContact CE1-CB 3.67Å; F136-K427 HydrophobicContact CE1-CD 4.01Å; F136-K427 HydrophobicContact CE1-CG 4.08Å; F136-K427 HydrophobicContact CE2-CB 3.9Å; F136-K427 HydrophobicContact CG-CB 4.04Å; F136-K427 HydrophobicContact CG-CD 4.14Å; F136-K427 HydrophobicContact CG-CG 3.81Å; F136-K427 HydrophobicContact CZ-CB 3.71Å; F136-K427 HydrophobicContact CZ-CG 4.48Å; S364-K427 PolarHBondContact OG-NZ 3.39Å; G424-K427 WeakPolarHBondContact O-CB 3.37Å; G424-K427 PolarHBondContact O-N 3.08Å; G425-K427 PolarHBondContact O-N 3.38Å
428	R	82.9	Confident	87.6	Confident	171 Å²	171	83.1 Å²	83.1	65%	0.645	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	-33	-171.7	-59.5	-179.6	-171.2	145	2.4	112.3	S364 G425 L426	S364-R428 PolarHBondContact OG-NH2 2.88Å; G425-R428 PolarHBondContact O-N 2.89Å; L426-R428 PolarHBondContact O-N 3.48Å
429	D	84.6	Confident	87.2	Confident	113 Å²	113	85.1 Å²	85.1	60%	0.604	41%	0.409	S	S	*	.	S	Bend	trans	-94.2	153.4	-177.7	-59.4	-32.1	0	0	0	110.7	G425	G425-D429 PolarHBondContact O-N 2.92Å
430	K	83.6	Confident	87	Confident	184 Å²	184	88.3 Å²	88.3	80%	0.8	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-75	157.6	169.1	-66	-175.8	-179.7	-179.9	0	109.9	K432	K430-K432 PolarHBondContact O-N 3.47Å
431	V	83.4	Confident	86.9	Confident	60 Å²	60	93.8 Å²	93.8	36%	0.364	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-54	135.3	166.6	-177.8	0	0	0	0	108.8	L426 F435	L426-V431 HydrophobicContact CD2-CB 4.49Å; L426-V431 HydrophobicContact CD2-CG2 3.96Å; V431-F435 HydrophobicContact CG1-CB 3.83Å; V431-F435 HydrophobicContact CG1-CD2 3.82Å; V431-F435 HydrophobicContact CG1-CG 4.19Å
432	K	84.3	Confident	86.8	Confident	141 Å²	141	91 Å²	91	61%	0.613	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-56.6	141	179.2	-63.3	-179.6	-179.8	175.5	0	110.3	K430 T434 F435	K430-K432 PolarHBondContact O-N 3.47Å; K432-T434 PolarHBondContact O-N 3.18Å; K432-T434 VanDerWaalsContact O-N 3.17Å; K432-F435 HydrophobicContact CB-CD2 3.97Å; K432-F435 HydrophobicContact CB-CE2 4.37Å; K432-F435 HydrophobicContact CD-CE2 4.37Å; K432-F435 PolarHBondContact O-N 3.01Å; K432-F435 VanDerWaalsContact O-N 3.09Å
433	D	88.8	Confident	86.7	Confident	100 Å²	100	87.5 Å²	87.5	54%	0.535	42%	0.418	S	S	.	.	H	α-helix	trans	-62.1	-27.1	-178.5	-63.5	-40.9	0	0	0	112.4	F435 K436 E437	D433-F435 VanDerWaalsContact C-N 3.28Å; D433-F435 PolarHBondContact O-N 3.01Å; D433-K436 WeakPolarHBondContact O-CA 3.41Å; D433-K436 WeakPolarHBondContact O-CB 3.45Å; D433-K436 PolarHBondContact O-N 3.41Å; D433-K436 IonicContact OD1-NZ 2.81Å; D433-K436 PolarHBondContact OD1-NZ 2.96Å; D433-E437 WeakPolarHBondContact O-CG 3.16Å; D433-E437 PolarHBondContact O-N 3.36Å
434	T	88	Confident	86.6	Confident	73 Å²	73	88.2 Å²	88.2	45%	0.448	43%	0.426	S	S	.	.	H	α-helix	trans	-54.7	-39.2	173.2	56.7	0	0	0	0	113.6	K432 K436 E437 E438	K432-T434 PolarHBondContact O-N 3.18Å; K432-T434 VanDerWaalsContact O-N 3.17Å; T434-K436 VanDerWaalsContact C-N 3.34Å; T434-E437 PolarHBondContact O-N 3.39Å; T434-E438 WeakPolarHBondContact O-CG 3.18Å; T434-E438 PolarHBondContact O-N 3.49Å
435	F	85.6	Confident	86.6	Confident	103 Å²	103	94.1 Å²	94.1	45%	0.452	45%	0.452	S	S	.	.	H	α-helix	trans	-70.9	-32.9	177.5	-70.4	-67.8	0	0	0	111.9	V431 K432 D433 Q439	V431-F435 HydrophobicContact CG1-CB 3.83Å; V431-F435 HydrophobicContact CG1-CD2 3.82Å; V431-F435 HydrophobicContact CG1-CG 4.19Å; K432-F435 HydrophobicContact CB-CD2 3.97Å; K432-F435 HydrophobicContact CB-CE2 4.37Å; K432-F435 HydrophobicContact CD-CE2 4.37Å; K432-F435 PolarHBondContact O-N 3.01Å; K432-F435 VanDerWaalsContact O-N 3.09Å; D433-F435 VanDerWaalsContact C-N 3.28Å; D433-F435 PolarHBondContact O-N 3.01Å; F435-Q439 PolarHBondContact O-N 3.02Å
436	K	87.1	Confident	86.4	Confident	90 Å²	90	94.2 Å²	94.2	39%	0.391	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-44.5	173.8	-58	177.5	-168.4	153.2	0	110.1	D433 T434 E438 Q439 Q440	D433-K436 WeakPolarHBondContact O-CA 3.41Å; D433-K436 WeakPolarHBondContact O-CB 3.45Å; D433-K436 PolarHBondContact O-N 3.41Å; D433-K436 IonicContact OD1-NZ 2.81Å; D433-K436 PolarHBondContact OD1-NZ 2.96Å; T434-K436 VanDerWaalsContact C-N 3.34Å; K436-E438 VanDerWaalsContact C-N 3.3Å; K436-E438 PolarHBondContact O-N 3.15Å; K436-Q439 PolarHBondContact O-N 3.08Å; K436-Q440 VanDerWaalsContact O-CG 3.3Å; K436-Q440 WeakPolarHBondContact O-CG 3.27Å; K436-Q440 PolarHBondContact O-N 3.03Å
437	E	91.8	Very high	86.1	Confident	86 Å²	86	94.1 Å²	94.1	40%	0.402	45%	0.445	S	S	.	.	H	α-helix	trans	-60.8	-37.8	176.1	-71.2	171.9	-160.6	0	0	111.8	D433 T434 Q440 K441	D433-E437 WeakPolarHBondContact O-CG 3.16Å; D433-E437 PolarHBondContact O-N 3.36Å; T434-E437 PolarHBondContact O-N 3.39Å; E437-Q440 PolarHBondContact O-N 3.33Å; E437-K441 VanDerWaalsContact O-CB 3.31Å; E437-K441 WeakPolarHBondContact O-CB 3.37Å; E437-K441 WeakPolarHBondContact O-CG 3.27Å; E437-K441 PolarHBondContact O-N 2.87Å
438	E	88.1	Confident	85.7	Confident	104 Å²	104	95.3 Å²	95.3	49%	0.486	46%	0.455	S	S	.	.	H	α-helix	trans	-61.7	-46.2	174	-80.1	172.7	-175.2	0	0	112	T434 K436 K441 L442	T434-E438 WeakPolarHBondContact O-CG 3.18Å; T434-E438 PolarHBondContact O-N 3.49Å; K436-E438 VanDerWaalsContact C-N 3.3Å; K436-E438 PolarHBondContact O-N 3.15Å; E438-K441 PolarHBondContact O-N 3.16Å; E438-L442 WeakPolarHBondContact O-CG 3.41Å; E438-L442 PolarHBondContact O-N 2.89Å
439	Q	86.5	Confident	84.8	Confident	103 Å²	103	88.3 Å²	88.3	48%	0.481	44%	0.436	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.1	-69.3	-63.2	-54.3	0	0	112.1	F435 K436 K441 L442 Y443	F435-Q439 PolarHBondContact O-N 3.02Å; K436-Q439 PolarHBondContact O-N 3.08Å; Q439-K441 VanDerWaalsContact C-N 3.33Å; Q439-K441 PolarHBondContact O-N 3.06Å; Q439-L442 PolarHBondContact O-N 3.46Å; Q439-Y443 PolarHBondContact O-N 3.04Å; Q439-Y443 VanDerWaalsContact O-N 3.11Å
440	Q	89.3	Confident	83.5	Confident	128 Å²	128	86.7 Å²	86.7	60%	0.598	43%	0.43	S	S	*	.	H	α-helix	trans	-63.1	-38.5	174.7	-72.2	171.4	-20.9	0	0	111.9	K436 E437 Y443 S444	K436-Q440 VanDerWaalsContact O-CG 3.3Å; K436-Q440 WeakPolarHBondContact O-CG 3.27Å; K436-Q440 PolarHBondContact O-N 3.03Å; E437-Q440 PolarHBondContact O-N 3.33Å; Q440-Y443 PolarHBondContact O-N 3.31Å; Q440-S444 VanDerWaalsContact O-CB 3.25Å; Q440-S444 WeakPolarHBondContact O-CB 3.43Å; Q440-S444 PolarHBondContact O-N 3.35Å
441	K	89.8	Confident	82	Confident	123 Å²	123	86.5 Å²	86.5	54%	0.535	43%	0.432	S	S	.	.	H	α-helix	trans	-65.9	-40.7	175.2	-78.1	168	-175.5	169	0	111.8	E437 E438 Q439 S444 K445	E437-K441 VanDerWaalsContact O-CB 3.31Å; E437-K441 WeakPolarHBondContact O-CB 3.37Å; E437-K441 WeakPolarHBondContact O-CG 3.27Å; E437-K441 PolarHBondContact O-N 2.87Å; E438-K441 PolarHBondContact O-N 3.16Å; Q439-K441 VanDerWaalsContact C-N 3.33Å; Q439-K441 PolarHBondContact O-N 3.06Å; K441-S444 PolarHBondContact O-N 3.46Å; K441-K445 WeakPolarHBondContact O-CG 3.5Å; K441-K445 PolarHBondContact O-N 3.43Å
442	L	87.1	Confident	80.4	Confident	79 Å²	79	90.8 Å²	90.8	41%	0.414	45%	0.448	S	S	.	.	H	α-helix	trans	-59.7	-49.1	175.7	-72.7	170.3	0	0	0	110.9	E438 Q439 S444 K445 M446	E438-L442 WeakPolarHBondContact O-CG 3.41Å; E438-L442 PolarHBondContact O-N 2.89Å; Q439-L442 PolarHBondContact O-N 3.46Å; L442-S444 PolarHBondContact O-N 2.82Å; L442-K445 PolarHBondContact O-N 2.91Å; L442-M446 PolarHBondContact O-N 2.92Å
443	Y	88.4	Confident	78.8	Confident	33 Å²	33	88.3 Å²	88.3	13%	0.129	44%	0.442	C	S	.	.	H	α-helix	trans	-64.2	-41.5	176.1	-175.1	-116.6	0	0	0	112.5	L89 I93 F111 D115 F119 Q439 Q440 K445 M446 L447	L89-Y443 HydrophobicContact CD2-CD2 4.44Å; I93-Y443 HydrophobicContact CD1-CD2 3.92Å; I93-Y443 HydrophobicContact CD1-CE2 3.88Å; F111-Y443 WeakPolarHBondContact CD2-OH 3.41Å; F111-Y443 WeakPolarHBondContact CE2-OH 3.32Å; D115-Y443 HydrophobicContact CB-CE2 4.23Å; D115-Y443 VanDerWaalsContact CB-OH 3.23Å; D115-Y443 WeakPolarHBondContact CB-OH 3.49Å; D115-Y443 PolarHBondContact OD2-OH 2.8Å; F119-Y443 HydrophobicContact CE2-CD1 4.5Å; F119-Y443 AromaticContact CE2-CD2 3.96Å; F119-Y443 HydrophobicContact CE2-CD2 3.96Å; F119-Y443 HydrophobicContact CE2-CE1 4.3Å; F119-Y443 AromaticContact CE2-CE2 3.72Å; F119-Y443 HydrophobicContact CE2-CE2 3.72Å; F119-Y443 HydrophobicContact CE2-CG 4.31Å; F119-Y443 AromaticContact CE2-CZ 3.89Å; F119-Y443 HydrophobicContact CZ-CD1 4.25Å; F119-Y443 AromaticContact CZ-CD2 3.58Å; F119-Y443 HydrophobicContact CZ-CD2 3.58Å; F119-Y443 HydrophobicContact CZ-CE1 4.5Å; F119-Y443 AromaticContact CZ-CE2 3.86Å; F119-Y443 HydrophobicContact CZ-CE2 3.86Å; F119-Y443 AromaticContact CZ-CG 3.77Å; F119-Y443 HydrophobicContact CZ-CG 3.77Å; Q439-Y443 PolarHBondContact O-N 3.04Å; Q439-Y443 VanDerWaalsContact O-N 3.11Å; Q440-Y443 PolarHBondContact O-N 3.31Å; Y443-K445 VanDerWaalsContact C-N 3.31Å; Y443-K445 PolarHBondContact O-N 3.29Å; Y443-M446 HydrophobicContact CD2-CE 3.61Å; Y443-M446 HydrophobicContact CE2-CE 3.34Å; Y443-M446 WeakPolarHBondContact O-CB 3.41Å; Y443-M446 PolarHBondContact O-N 3.07Å; Y443-L447 HydrophobicContact CD1-CD1 4.04Å; Y443-L447 HydrophobicContact CE1-CD1 3.64Å; Y443-L447 HydrophobicContact CE1-CG 4.32Å; Y443-L447 PolarHBondContact O-N 3.45Å
444	S	87.6	Confident	76.9	Confident	57 Å²	57	90.7 Å²	90.7	40%	0.399	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-37.3	176.6	-179.2	0	0	0	0	112.5	Q440 K441 L442 M446 L447 V448	Q440-S444 VanDerWaalsContact O-CB 3.25Å; Q440-S444 WeakPolarHBondContact O-CB 3.43Å; Q440-S444 PolarHBondContact O-N 3.35Å; K441-S444 PolarHBondContact O-N 3.46Å; L442-S444 PolarHBondContact O-N 2.82Å; S444-M446 VanDerWaalsContact C-N 3.3Å; S444-M446 PolarHBondContact O-N 3.1Å; S444-L447 PolarHBondContact O-N 3.06Å; S444-V448 VanDerWaalsContact O-CB 3.22Å; S444-V448 WeakPolarHBondContact O-CB 3.36Å; S444-V448 WeakPolarHBondContact O-CG2 3.33Å; S444-V448 PolarHBondContact O-N 3.18Å
445	K	85.4	Confident	74.8	Confident	126 Å²	126	91.8 Å²	91.8	55%	0.548	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.1	-77.7	175.6	178.9	-173.8	0	111.5	K441 L442 Y443 L447 V448 G449	K441-K445 WeakPolarHBondContact O-CG 3.5Å; K441-K445 PolarHBondContact O-N 3.43Å; L442-K445 PolarHBondContact O-N 2.91Å; Y443-K445 VanDerWaalsContact C-N 3.31Å; Y443-K445 PolarHBondContact O-N 3.29Å; K445-L447 VanDerWaalsContact C-N 3.27Å; K445-L447 PolarHBondContact O-N 2.91Å; K445-V448 PolarHBondContact O-N 3.21Å; K445-G449 WeakPolarHBondContact O-CA 3.45Å; K445-G449 PolarHBondContact O-N 3.28Å
446	M	80.9	Confident	73	Confident	28 Å²	28	97.6 Å²	97.6	14%	0.138	47%	0.473	C	S	.	.	H	α-helix	trans	-61.4	-35.9	175.4	-172.3	-165.4	72.5	0	0	112.1	L89 E90 I93 S109 L442 Y443 S444	L89-M446 HydrophobicContact CD2-SD 4.45Å; E90-M446 HydrophobicContact CG-CB 4.39Å; E90-M446 HydrophobicContact CG-CG 4.25Å; I93-M446 HydrophobicContact CB-SD 4.06Å; I93-M446 HydrophobicContact CD1-CE 4.04Å; I93-M446 HydrophobicContact CD1-SD 3.91Å; I93-M446 HydrophobicContact CG2-CE 3.94Å; I93-M446 HydrophobicContact CG2-SD 3.81Å; S109-M446 WeakPolarHBondContact CB-O 3.5Å; L442-M446 PolarHBondContact O-N 2.92Å; Y443-M446 HydrophobicContact CD2-CE 3.61Å; Y443-M446 HydrophobicContact CE2-CE 3.34Å; Y443-M446 WeakPolarHBondContact O-CB 3.41Å; Y443-M446 PolarHBondContact O-N 3.07Å; S444-M446 VanDerWaalsContact C-N 3.3Å; S444-M446 PolarHBondContact O-N 3.1Å
447	L	81.8	Confident	70.8	Confident	40 Å²	40	100.8 Å²	100.8	21%	0.209	51%	0.506	C	S	.	.	H	α-helix	trans	-82.1	-31.5	179	-62	179.5	0	0	0	114.2	S109 F111 Y443 S444 K445	S109-L447 CarbonylContact C-O 3.2Å; S109-L447 WeakPolarHBondContact CB-O 3.25Å; S109-L447 CarbonylContact O-C 3.54Å; S109-L447 WeakPolarHBondContact O-CA 3.44Å; S109-L447 PolarHBondContact OG-O 2.96Å; F111-L447 HydrophobicContact CB-CD2 4.35Å; Y443-L447 HydrophobicContact CD1-CD1 4.04Å; Y443-L447 HydrophobicContact CE1-CD1 3.64Å; Y443-L447 HydrophobicContact CE1-CG 4.32Å; Y443-L447 PolarHBondContact O-N 3.45Å; S444-L447 PolarHBondContact O-N 3.06Å; K445-L447 VanDerWaalsContact C-N 3.27Å; K445-L447 PolarHBondContact O-N 2.91Å
448	V	75.5	Confident	69.7	Low	59 Å²	59	101.5 Å²	101.5	36%	0.358	51%	0.511	S	S	.	.	H	α-helix	trans	-99.7	-15.7	-168.2	173.9	0	0	0	0	111.3	S444 K445 R454	S444-V448 VanDerWaalsContact O-CB 3.22Å; S444-V448 WeakPolarHBondContact O-CB 3.36Å; S444-V448 WeakPolarHBondContact O-CG2 3.33Å; S444-V448 PolarHBondContact O-N 3.18Å; K445-V448 PolarHBondContact O-N 3.21Å; V448-R454 VanDerWaalsContact CG1-CZ 3.42Å; V448-R454 PolarHBondContact O-NE 3.22Å; V448-R454 PolarHBondContact O-NH2 3.33Å
449	G	63.9	Low	68.8	Low	25 Å²	25	101.4 Å²	101.4	26%	0.258	51%	0.513	S	S	.	.			trans	75.8	164.1	-168.6	0	0	0	0	0	111.8	K445	K445-G449 WeakPolarHBondContact O-CA 3.45Å; K445-G449 PolarHBondContact O-N 3.28Å
450	T	57.6	Low	67.8	Low	78 Å²	78	101.3 Å²	101.3	48%	0.479	51%	0.514	S	S	.	.			trans	-71.4	149.1	169.6	3	0	0	0	0	109.8	E452 D453 R454	T450-E452 PolarHBondContact O-N 3.4Å; T450-D453 PolarHBondContact N-OD2 3.06Å; T450-D453 WeakPolarHBondContact O-CB 3.3Å; T450-D453 PolarHBondContact O-N 3.1Å; T450-D453 PolarHBondContact OG1-OD2 3.41Å; T450-R454 PolarHBondContact O-N 2.9Å
451	Q	50.9	Low	66.5	Low	181 Å²	181	99.7 Å²	99.7	85%	0.846	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.4	178.4	-124.8	176.3	-9.3	0	0	112.5
452	E	50.6	Low	65.1	Low	149 Å²	149	98.3 Å²	98.3	70%	0.696	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-35.2	172.5	-71.6	-177.1	152.5	0	0	113.2	T450 R454 S455	T450-E452 PolarHBondContact O-N 3.4Å; E452-R454 VanDerWaalsContact C-N 3.33Å; E452-R454 PolarHBondContact O-N 2.94Å; E452-S455 PolarHBondContact O-N 3.2Å; E452-S455 PolarHBondContact O-OG 3.18Å
453	D	49.8	Very low	63.6	Low	89 Å²	89	99.5 Å²	99.5	48%	0.476	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-71.9	-29.9	-179.8	-62.9	-47	0	0	0	112.2	T450 S455 R456	T450-D453 PolarHBondContact N-OD2 3.06Å; T450-D453 WeakPolarHBondContact O-CB 3.3Å; T450-D453 PolarHBondContact O-N 3.1Å; T450-D453 PolarHBondContact OG1-OD2 3.41Å; D453-S455 VanDerWaalsContact C-N 3.28Å; D453-S455 PolarHBondContact O-N 3.23Å; D453-R456 PolarHBondContact O-N 2.94Å
454	R	48.6	Very low	61.8	Low	151 Å²	151	104.3 Å²	104.3	57%	0.57	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-73.5	-17.4	175.3	-69.8	178.2	177.7	-144.5	-18.9	114	V448 T450 E452 R456 S457	V448-R454 VanDerWaalsContact CG1-CZ 3.42Å; V448-R454 PolarHBondContact O-NE 3.22Å; V448-R454 PolarHBondContact O-NH2 3.33Å; T450-R454 PolarHBondContact O-N 2.9Å; E452-R454 VanDerWaalsContact C-N 3.33Å; E452-R454 PolarHBondContact O-N 2.94Å; R454-R456 VanDerWaalsContact C-N 3.32Å; R454-S457 PolarHBondContact O-OG 3.14Å
455	S	45.7	Very low	59.9	Low	95 Å²	95	107.9 Å²	107.9	66%	0.664	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-86.7	-6.7	177.1	70.3	0	0	0	0	113.3	E452 D453	E452-S455 PolarHBondContact O-N 3.2Å; E452-S455 PolarHBondContact O-OG 3.18Å; D453-S455 VanDerWaalsContact C-N 3.28Å; D453-S455 PolarHBondContact O-N 3.23Å
456	R	47.3	Very low	57.7	Low	226 Å²	226	106.4 Å²	106.4	85%	0.853	55%	0.553	S	S	*	*			trans	-109.8	-1.1	179.3	-71.1	-176.1	173	178.9	-0.1	113.8	D453 R454	D453-R456 PolarHBondContact O-N 2.94Å; R454-R456 VanDerWaalsContact C-N 3.32Å
457	S	40.2	Very low	55.6	Low	156 Å²	156	113.5 Å²	113.5	100%	1.091	59%	0.591	S	S	*	*			trans	-97.6	0	176.7	67.7	0	0	0	0	112.4	R454	R454-S457 PolarHBondContact O-OG 3.14Å

Retrieved 457 of 457 residues in 430.2 ms (Link to these results)

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