A0A5K4F895_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F895, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 207 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	35.2	Very low	48.3	Very low	233 Å²	233	112 Å²	112	100%	1.148	58%	0.579	S	S	*	*				0	118.8	0	-73.7	159.3	78.6	0	0	105.5
2	S	39.3	Very low	50.2	Low	54 Å²	54	112.3 Å²	112.3	38%	0.378	57%	0.568	S	S	.	*			trans	-82.4	137.7	-169.1	79.4	0	0	0	0	109.1	R4 D5	S2-R4 PolarHBondContact O-N 3.31Å; S2-D5 PolarHBondContact O-N 2.95Å; S2-D5 PolarHBondContact OG-OD2 3.31Å
3	D	39.4	Very low	51.9	Low	142 Å²	142	110.6 Å²	110.6	76%	0.759	56%	0.562	S	S	*	*	H	α-helix	trans	-54.4	-17.5	-179.1	-68.2	-41.6	0	0	0	113.4	T6 L7	D3-T6 PolarHBondContact O-OG1 3.14Å; D3-T6 VanDerWaalsContact O-OG1 3.1Å; D3-L7 WeakPolarHBondContact O-CB 3.42Å; D3-L7 PolarHBondContact O-N 3.35Å
4	R	42.2	Very low	53.1	Low	205 Å²	205	104.6 Å²	104.6	77%	0.774	53%	0.532	S	S	*	.	H	α-helix	trans	-66.4	-36.4	174.4	-75.6	-168.1	-88.4	-169.3	-6.1	113.8	S2 S8	S2-R4 PolarHBondContact O-N 3.31Å; R4-S8 PolarHBondContact O-N 3.32Å; R4-S8 PolarHBondContact O-OG 3.45Å
5	D	47	Very low	54.2	Low	93 Å²	93	98.1 Å²	98.1	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-75.4	-38.2	-176.9	-55.9	-49.3	0	0	0	111	S2 S8 D9	S2-D5 PolarHBondContact O-N 2.95Å; S2-D5 PolarHBondContact OG-OD2 3.31Å; D5-S8 WeakPolarHBondContact CA-OG 3.48Å; D5-S8 PolarHBondContact O-N 3.46Å; D5-S8 PolarHBondContact O-OG 2.89Å; D5-D9 PolarHBondContact O-N 3.27Å; D5-D9 VanDerWaalsContact O-N 3.08Å
6	T	39.6	Very low	55.6	Low	73 Å²	73	93.4 Å²	93.4	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-68.7	-34.7	173.9	30.2	0	0	0	0	112.8	D3 I10	D3-T6 PolarHBondContact O-OG1 3.14Å; D3-T6 VanDerWaalsContact O-OG1 3.1Å; T6-I10 WeakPolarHBondContact O-CD1 3.27Å; T6-I10 VanDerWaalsContact O-CG1 3.28Å; T6-I10 WeakPolarHBondContact O-CG1 3.43Å; T6-I10 PolarHBondContact O-N 3.22Å; T6-I10 VanDerWaalsContact O-N 3.15Å
7	L	44.7	Very low	56.7	Low	115 Å²	115	92.6 Å²	92.6	60%	0.602	47%	0.472	S	S	*	.	H	α-helix	trans	-71.7	-37.5	177.5	-151.1	83.3	0	0	0	111.1	D3 L11	D3-L7 WeakPolarHBondContact O-CB 3.42Å; D3-L7 PolarHBondContact O-N 3.35Å; L7-L11 WeakPolarHBondContact O-CB 3.1Å; L7-L11 PolarHBondContact O-N 3.13Å
8	S	58.7	Low	57.6	Low	58 Å²	58	87.9 Å²	87.9	41%	0.406	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-38.9	174.2	56.6	0	0	0	0	112.2	R4 D5 Y12	R4-S8 PolarHBondContact O-N 3.32Å; R4-S8 PolarHBondContact O-OG 3.45Å; D5-S8 WeakPolarHBondContact CA-OG 3.48Å; D5-S8 PolarHBondContact O-N 3.46Å; D5-S8 PolarHBondContact O-OG 2.89Å; S8-Y12 WeakPolarHBondContact O-CB 3.24Å; S8-Y12 PolarHBondContact O-N 3.25Å
9	D	61.3	Low	58.6	Low	97 Å²	97	83.6 Å²	83.6	52%	0.519	43%	0.427	S	S	.	.	H	α-helix	trans	-70.1	-41.3	-179.7	-69.8	-16.8	0	0	0	112.5	D5 Y12 N13	D5-D9 PolarHBondContact O-N 3.27Å; D5-D9 VanDerWaalsContact O-N 3.08Å; D9-Y12 PolarHBondContact O-N 3.28Å; D9-N13 PolarHBondContact O-N 3.39Å; D9-N13 VanDerWaalsContact O-N 3.07Å; D9-N13 PolarHBondContact O-ND2 3.23Å
10	I	56.7	Low	59.6	Low	100 Å²	100	86.7 Å²	86.7	51%	0.513	44%	0.437	S	S	.	.	H	α-helix	trans	-65.3	-47.6	175.6	-65.8	166.6	0	0	0	109.6	T6 Y12 N13 D14	T6-I10 WeakPolarHBondContact O-CD1 3.27Å; T6-I10 VanDerWaalsContact O-CG1 3.28Å; T6-I10 WeakPolarHBondContact O-CG1 3.43Å; T6-I10 PolarHBondContact O-N 3.22Å; T6-I10 VanDerWaalsContact O-N 3.15Å; I10-Y12 VanDerWaalsContact C-N 3.33Å; I10-Y12 PolarHBondContact O-N 3.41Å; I10-N13 PolarHBondContact O-N 3.44Å; I10-D14 PolarHBondContact O-N 3.45Å; I10-D14 VanDerWaalsContact O-N 3.09Å
11	L	67.2	Low	60.3	Low	62 Å²	62	88.9 Å²	88.9	33%	0.325	44%	0.444	S	S	.	.	H	α-helix	trans	-62	-42.3	177.9	-174.3	65.8	0	0	0	111.1	L7 N13 D14 L15	L7-L11 WeakPolarHBondContact O-CB 3.1Å; L7-L11 PolarHBondContact O-N 3.13Å; L11-N13 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 3.42Å; L11-D14 PolarHBondContact O-N 3.11Å; L11-L15 HydrophobicContact CD1-CD1 4.05Å; L11-L15 HydrophobicContact CD1-CD2 4.47Å; L11-L15 HydrophobicContact CD1-CG 4.02Å; L11-L15 HydrophobicContact CD2-CD1 4.29Å; L11-L15 HydrophobicContact CG-CD1 3.73Å; L11-L15 HydrophobicContact CG-CG 4.08Å; L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 2.97Å
12	Y	71.4	Confident	62.1	Low	115 Å²	115	78 Å²	78	45%	0.451	39%	0.39	S	S	.	.	H	α-helix	trans	-58.4	-46.5	177.3	-178.7	-86.9	0	0	0	111.7	S8 D9 I10 L15 S16 I71	S8-Y12 WeakPolarHBondContact O-CB 3.24Å; S8-Y12 PolarHBondContact O-N 3.25Å; D9-Y12 PolarHBondContact O-N 3.28Å; I10-Y12 VanDerWaalsContact C-N 3.33Å; I10-Y12 PolarHBondContact O-N 3.41Å; Y12-L15 PolarHBondContact O-N 3.43Å; Y12-S16 WeakPolarHBondContact O-CB 3.41Å; Y12-S16 PolarHBondContact O-N 3.36Å; Y12-I71 HydrophobicContact CD2-CD1 3.42Å; Y12-I71 VanDerWaalsContact CD2-CD1 3.42Å; Y12-I71 HydrophobicContact CE2-CD1 3.46Å; Y12-I71 VanDerWaalsContact CE2-CD1 3.46Å; Y12-I71 HydrophobicContact CG-CD1 4.37Å
13	N	71.9	Confident	64.1	Low	91 Å²	91	75.7 Å²	75.7	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-42.9	179.5	-76.2	-45.1	0	0	0	112.3	D9 I10 L11 S16 Q17	D9-N13 PolarHBondContact O-N 3.39Å; D9-N13 VanDerWaalsContact O-N 3.07Å; D9-N13 PolarHBondContact O-ND2 3.23Å; I10-N13 PolarHBondContact O-N 3.44Å; L11-N13 VanDerWaalsContact C-N 3.35Å; L11-N13 PolarHBondContact O-N 3.42Å; N13-S16 PolarHBondContact O-N 3.15Å; N13-Q17 VanDerWaalsContact O-CG 3.31Å; N13-Q17 WeakPolarHBondContact O-CG 3.44Å; N13-Q17 PolarHBondContact O-N 3.43Å; N13-Q17 VanDerWaalsContact O-N 3.08Å
14	D	68.2	Low	65.7	Low	27 Å²	27	74.7 Å²	74.7	14%	0.144	36%	0.362	C	S	.	.	H	α-helix	trans	-68.1	-42	178.8	-69.8	-17.8	0	0	0	111.3	I10 L11 Q17 A18	I10-D14 PolarHBondContact O-N 3.45Å; I10-D14 VanDerWaalsContact O-N 3.09Å; L11-D14 PolarHBondContact O-N 3.11Å; D14-Q17 PolarHBondContact O-N 3.11Å; D14-A18 WeakPolarHBondContact O-CB 3.37Å; D14-A18 PolarHBondContact O-N 3.38Å
15	L	70.4	Confident	67.6	Low	7 Å²	7	69.8 Å²	69.8	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-68.6	-35.2	176.9	-69	-175.8	0	0	0	112.5	L11 Y12 Q17 A18 F19 I71 L74	L11-L15 HydrophobicContact CD1-CD1 4.05Å; L11-L15 HydrophobicContact CD1-CD2 4.47Å; L11-L15 HydrophobicContact CD1-CG 4.02Å; L11-L15 HydrophobicContact CD2-CD1 4.29Å; L11-L15 HydrophobicContact CG-CD1 3.73Å; L11-L15 HydrophobicContact CG-CG 4.08Å; L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 2.97Å; Y12-L15 PolarHBondContact O-N 3.43Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; L15-A18 WeakPolarHBondContact O-CB 3.23Å; L15-A18 PolarHBondContact O-N 2.94Å; L15-F19 WeakPolarHBondContact O-CB 3.35Å; L15-F19 PolarHBondContact O-N 3.04Å; L15-I71 HydrophobicContact CB-CG1 4Å; L15-I71 HydrophobicContact CD1-CB 4.25Å; L15-I71 HydrophobicContact CD1-CG1 3.98Å; L15-I71 HydrophobicContact CD1-CG2 3.98Å; L15-L74 HydrophobicContact CD1-CB 4.38Å; L15-L74 HydrophobicContact CD2-CB 4.34Å; L15-L74 HydrophobicContact CD2-CD1 3.41Å; L15-L74 VanDerWaalsContact CD2-CD1 3.41Å
16	S	75.6	Confident	69.2	Low	22 Å²	22	73.2 Å²	73.2	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-65.3	-38.5	173.5	-177.8	0	0	0	0	111.6	Y12 N13 F19 K20	Y12-S16 WeakPolarHBondContact O-CB 3.41Å; Y12-S16 PolarHBondContact O-N 3.36Å; N13-S16 PolarHBondContact O-N 3.15Å; S16-F19 WeakPolarHBondContact O-CB 3.38Å; S16-F19 PolarHBondContact O-N 3.08Å; S16-K20 WeakPolarHBondContact O-CG 3.38Å; S16-K20 PolarHBondContact O-N 3.34Å
17	Q	75.6	Confident	71.2	Confident	81 Å²	81	73.8 Å²	73.8	38%	0.379	37%	0.365	S	S	.	.	H	α-helix	trans	-71.7	-36.9	175.3	-71.8	169.9	2.2	0	0	112.5	N13 D14 L15 F19 K20 F21 K98	N13-Q17 VanDerWaalsContact O-CG 3.31Å; N13-Q17 WeakPolarHBondContact O-CG 3.44Å; N13-Q17 PolarHBondContact O-N 3.43Å; N13-Q17 VanDerWaalsContact O-N 3.08Å; D14-Q17 PolarHBondContact O-N 3.11Å; L15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; Q17-K20 PolarHBondContact O-N 2.9Å; Q17-F21 WeakPolarHBondContact O-CB 3.41Å; Q17-F21 PolarHBondContact O-N 2.84Å; Q17-K98 VanDerWaalsContact CD-CE 3.47Å
18	A	71.8	Confident	73.1	Confident	7 Å²	7	70 Å²	70	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-48.5	170.4	0	0	0	0	0	110.9	D14 L15 K20 F21 I22 F70 F95	D14-A18 WeakPolarHBondContact O-CB 3.37Å; D14-A18 PolarHBondContact O-N 3.38Å; L15-A18 WeakPolarHBondContact O-CB 3.23Å; L15-A18 PolarHBondContact O-N 2.94Å; A18-K20 PolarHBondContact O-N 3.39Å; A18-F21 WeakPolarHBondContact O-CB 3.44Å; A18-F21 PolarHBondContact O-N 2.73Å; A18-I22 VanDerWaalsContact O-CD1 3.3Å; A18-I22 WeakPolarHBondContact O-CD1 3.47Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.44Å; A18-I22 PolarHBondContact O-N 3.45Å; A18-I22 VanDerWaalsContact O-N 3.13Å; A18-F70 HydrophobicContact CB-CE1 4.43Å; A18-F95 HydrophobicContact CB-CD1 3.44Å; A18-F95 VanDerWaalsContact CB-CD1 3.44Å; A18-F95 HydrophobicContact CB-CE1 3.29Å; A18-F95 HydrophobicContact CB-CZ 4.37Å
19	F	76.4	Confident	74.3	Confident	7 Å²	7	70 Å²	70	3%	0.031	35%	0.349	C	S	.	.	H	α-helix	trans	-55.8	-51	178	-170.1	-82.2	0	0	0	111	L15 S16 Q17 F21 I22 D23 G28 L30 I65 L67 F70	L15-F19 WeakPolarHBondContact O-CB 3.35Å; L15-F19 PolarHBondContact O-N 3.04Å; S16-F19 WeakPolarHBondContact O-CB 3.38Å; S16-F19 PolarHBondContact O-N 3.08Å; Q17-F19 VanDerWaalsContact C-N 3.33Å; F19-F21 PolarHBondContact O-N 3.33Å; F19-I22 PolarHBondContact O-N 2.94Å; F19-D23 HydrophobicContact CD1-CB 4.16Å; F19-D23 HydrophobicContact CE1-CB 4.09Å; F19-D23 VanDerWaalsContact O-CB 3.25Å; F19-D23 WeakPolarHBondContact O-CB 3.19Å; F19-D23 PolarHBondContact O-N 3.45Å; F19-G28 WeakPolarHBondContact CZ-O 3.39Å; F19-L30 HydrophobicContact CD2-CD1 3.62Å; F19-L30 HydrophobicContact CD2-CG 3.91Å; F19-L30 HydrophobicContact CE1-CD2 4.43Å; F19-L30 HydrophobicContact CE1-CG 4.32Å; F19-L30 HydrophobicContact CE2-CB 4.45Å; F19-L30 HydrophobicContact CE2-CD1 3.62Å; F19-L30 HydrophobicContact CE2-CD2 4.36Å; F19-L30 HydrophobicContact CE2-CG 3.46Å; F19-L30 VanDerWaalsContact CE2-CG 3.46Å; F19-L30 HydrophobicContact CG-CD1 4.37Å; F19-L30 HydrophobicContact CZ-CD1 4.33Å; F19-L30 HydrophobicContact CZ-CD2 4.26Å; F19-L30 HydrophobicContact CZ-CG 3.69Å; F19-I65 WeakPolarHBondContact CE2-O 3.37Å; F19-L67 HydrophobicContact CB-CD1 3.64Å; F19-L67 HydrophobicContact CD1-CD1 4.42Å; F19-L67 HydrophobicContact CD2-CB 4.19Å; F19-L67 HydrophobicContact CD2-CD1 3.79Å; F19-L67 HydrophobicContact CE2-CB 4.12Å; F19-L67 HydrophobicContact CG-CB 4.4Å; F19-L67 HydrophobicContact CG-CD1 3.69Å; F19-L67 HydrophobicContact CZ-CB 4.32Å; F19-F70 HydrophobicContact CB-CD1 4.29Å; F19-F70 HydrophobicContact CB-CE1 4.27Å; F19-F70 HydrophobicContact CD2-CB 3.85Å; F19-F70 AromaticContact CD2-CD1 3.77Å; F19-F70 HydrophobicContact CD2-CD1 3.77Å; F19-F70 HydrophobicContact CD2-CD2 4.42Å; F19-F70 HydrophobicContact CD2-CE1 4.37Å; F19-F70 AromaticContact CD2-CG 3.78Å; F19-F70 HydrophobicContact CD2-CG 3.78Å; F19-F70 HydrophobicContact CE2-CB 4.02Å; F19-F70 HydrophobicContact CE2-CG 4.34Å
20	K	79.2	Confident	75.3	Confident	145 Å²	145	65.3 Å²	65.3	63%	0.63	32%	0.324	S	S	*	.	H	α-helix	trans	-63.2	-23.3	176.7	-71.4	-177.7	179.1	-168.5	0	115	S16 Q17 A18	S16-K20 WeakPolarHBondContact O-CG 3.38Å; S16-K20 PolarHBondContact O-N 3.34Å; Q17-K20 PolarHBondContact O-N 2.9Å; A18-K20 PolarHBondContact O-N 3.39Å
21	F	74.2	Confident	76.4	Confident	132 Å²	132	61.5 Å²	61.5	58%	0.579	31%	0.309	S	S	*	.	H	α-helix	trans	-79	-27.4	175.6	-178.9	-95.1	0	0	0	111.6	Q17 A18 F19	Q17-F21 WeakPolarHBondContact O-CB 3.41Å; Q17-F21 PolarHBondContact O-N 2.84Å; A18-F21 WeakPolarHBondContact O-CB 3.44Å; A18-F21 PolarHBondContact O-N 2.73Å; F19-F21 PolarHBondContact O-N 3.33Å
22	I	73.2	Confident	77.1	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-88.5	-43.3	-178.6	-59.7	157.8	0	0	0	110.1	A18 F19 K24 L30 D34 L38 F70	A18-I22 VanDerWaalsContact O-CD1 3.3Å; A18-I22 WeakPolarHBondContact O-CD1 3.47Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.44Å; A18-I22 PolarHBondContact O-N 3.45Å; A18-I22 VanDerWaalsContact O-N 3.13Å; F19-I22 PolarHBondContact O-N 2.94Å; I22-K24 PolarHBondContact O-N 3.03Å; I22-K24 VanDerWaalsContact O-N 3.08Å; I22-L30 HydrophobicContact CB-CD1 4.35Å; I22-L30 HydrophobicContact CB-CD2 3.99Å; I22-L30 HydrophobicContact CG2-CD1 4.08Å; I22-L30 HydrophobicContact CG2-CD2 3.74Å; I22-L30 HydrophobicContact CG2-CG 4.5Å; I22-D34 HydrophobicContact CG2-CB 3.82Å; I22-L38 HydrophobicContact CD1-CD1 4.25Å; I22-L38 HydrophobicContact CD1-CD2 3.66Å; I22-L38 HydrophobicContact CD1-CG 4.45Å; I22-L38 HydrophobicContact CG1-CD1 4.06Å; I22-L38 HydrophobicContact CG1-CD2 4.17Å; I22-L38 HydrophobicContact CG1-CG 4.46Å; I22-L38 HydrophobicContact CG2-CB 4.24Å; I22-F70 HydrophobicContact CD1-CE2 4.29Å; I22-F70 HydrophobicContact CD1-CZ 3.86Å
23	D	80.9	Confident	77.7	Confident	7 Å²	7	60.9 Å²	60.9	4%	0.037	32%	0.315	C	S	.	.			trans	-67	94	173.2	179.2	-0.4	0	0	0	109.4	F19 D25 E26 D27 G28 L30	F19-D23 HydrophobicContact CD1-CB 4.16Å; F19-D23 HydrophobicContact CE1-CB 4.09Å; F19-D23 VanDerWaalsContact O-CB 3.25Å; F19-D23 WeakPolarHBondContact O-CB 3.19Å; F19-D23 PolarHBondContact O-N 3.45Å; D23-D25 VanDerWaalsContact OD1-OD1 3.14Å; D23-E26 WeakPolarHBondContact OD1-CA 3.45Å; D23-E26 PolarHBondContact OD1-N 3.36Å; D23-D27 PolarHBondContact OD1-N 3.04Å; D23-D27 VanDerWaalsContact OD1-N 3.16Å; D23-D27 PolarHBondContact OD2-N 3.13Å; D23-G28 WeakPolarHBondContact OD2-CA 3.49Å; D23-G28 PolarHBondContact OD2-N 2.84Å; D23-L30 HydrophobicContact CB-CD2 3.66Å
24	K	73.9	Confident	78.1	Confident	120 Å²	120	57.7 Å²	57.7	52%	0.522	30%	0.298	S	S	.	.	S	Bend	trans	-79.5	-30.6	-173.5	-74.9	-178.6	-177.6	167.6	0	113.2	I22 Y37	I22-K24 PolarHBondContact O-N 3.03Å; I22-K24 VanDerWaalsContact O-N 3.08Å; K24-Y37 VanDerWaalsContact NZ-CD1 3.35Å; K24-Y37 VanDerWaalsContact NZ-CZ 3.32Å
25	D	81.3	Confident	78.5	Confident	103 Å²	103	57.4 Å²	57.4	55%	0.551	30%	0.296	S	S	*	.	S	Bend	trans	-90.6	-4.2	179.8	53.3	-22.2	0	0	0	112.9	D23 D27	D23-D25 VanDerWaalsContact OD1-OD1 3.14Å; D25-D27 PolarHBondContact O-N 3.04Å
26	E	81.4	Confident	78.7	Confident	165 Å²	165	58.3 Å²	58.3	77%	0.771	30%	0.304	S	S	*	.			trans	57.1	32.1	177.6	-57.9	-174.5	178.5	0	0	112.1	D23 G28	D23-E26 WeakPolarHBondContact OD1-CA 3.45Å; D23-E26 PolarHBondContact OD1-N 3.36Å; E26-G28 VanDerWaalsContact C-N 3.31Å
27	D	82.2	Confident	78.6	Confident	84 Å²	84	62.4 Å²	62.4	45%	0.449	32%	0.316	S	S	.	.	S	Bend	trans	-84.1	-10.4	-177.2	79.8	-9.8	0	0	0	112.5	D23 D25 I29	D23-D27 PolarHBondContact OD1-N 3.04Å; D23-D27 VanDerWaalsContact OD1-N 3.16Å; D23-D27 PolarHBondContact OD2-N 3.13Å; D25-D27 PolarHBondContact O-N 3.04Å; D27-I29 WeakPolarHBondContact OD1-CG1 3.34Å; D27-I29 PolarHBondContact OD1-N 3.26Å; D27-I29 WeakPolarHBondContact OD2-CD1 3.19Å; D27-I29 WeakPolarHBondContact OD2-CG1 3.1Å
28	G	82.6	Confident	78.3	Confident	37 Å²	37	60 Å²	60	38%	0.381	31%	0.306	S	S	.	.	S	Bend	trans	86.2	9.3	178.4	0	0	0	0	0	114.5	F19 D23 E26	F19-G28 WeakPolarHBondContact CZ-O 3.39Å; D23-G28 WeakPolarHBondContact OD2-CA 3.49Å; D23-G28 PolarHBondContact OD2-N 2.84Å; E26-G28 VanDerWaalsContact C-N 3.31Å
29	I	84.3	Confident	78	Confident	56 Å²	56	61 Å²	61	29%	0.287	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.8	175.8	55.6	170.4	0	0	0	110.9	D27 R66	D27-I29 WeakPolarHBondContact OD1-CG1 3.34Å; D27-I29 PolarHBondContact OD1-N 3.26Å; D27-I29 WeakPolarHBondContact OD2-CD1 3.19Å; D27-I29 WeakPolarHBondContact OD2-CG1 3.1Å; I29-R66 HydrophobicContact CG2-CG 3.84Å
30	L	82.2	Confident	77.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.5	173	-62.5	-179.6	0	0	0	109.9	F19 I22 D23 D34 S64 I65 F70	F19-L30 HydrophobicContact CD2-CD1 3.62Å; F19-L30 HydrophobicContact CD2-CG 3.91Å; F19-L30 HydrophobicContact CE1-CD2 4.43Å; F19-L30 HydrophobicContact CE1-CG 4.32Å; F19-L30 HydrophobicContact CE2-CB 4.45Å; F19-L30 HydrophobicContact CE2-CD1 3.62Å; F19-L30 HydrophobicContact CE2-CD2 4.36Å; F19-L30 HydrophobicContact CE2-CG 3.46Å; F19-L30 VanDerWaalsContact CE2-CG 3.46Å; F19-L30 HydrophobicContact CG-CD1 4.37Å; F19-L30 HydrophobicContact CZ-CD1 4.33Å; F19-L30 HydrophobicContact CZ-CD2 4.26Å; F19-L30 HydrophobicContact CZ-CG 3.69Å; I22-L30 HydrophobicContact CB-CD1 4.35Å; I22-L30 HydrophobicContact CB-CD2 3.99Å; I22-L30 HydrophobicContact CG2-CD1 4.08Å; I22-L30 HydrophobicContact CG2-CD2 3.74Å; I22-L30 HydrophobicContact CG2-CG 4.5Å; D23-L30 HydrophobicContact CB-CD2 3.66Å; L30-D34 HydrophobicContact CB-CB 4.41Å; L30-D34 HydrophobicContact CD2-CB 3.94Å; L30-S64 CarbonylContact O-C 3.52Å; L30-S64 VanDerWaalsContact O-CA 3.31Å; L30-S64 WeakPolarHBondContact O-CA 2.97Å; L30-I65 HydrophobicContact CB-CB 4.34Å; L30-I65 PolarHBondContact N-O 3.4Å; L30-I65 PolarHBondContact O-N 2.95Å; L30-F70 HydrophobicContact CD1-CD2 3.8Å; L30-F70 HydrophobicContact CD1-CE2 3.88Å; L30-F70 HydrophobicContact CD1-CG 4.4Å
31	G	81.6	Confident	76.8	Confident	19 Å²	19	59.9 Å²	59.9	20%	0.196	32%	0.316	C	S	.	.			trans	-81.1	-180	172.7	0	0	0	0	0	113	D33 D34 I35	G31-D33 PolarHBondContact O-N 3.2Å; G31-D34 PolarHBondContact N-OD2 3.13Å; G31-D34 PolarHBondContact O-N 2.9Å; G31-I35 PolarHBondContact O-N 3.3Å
32	V	81.8	Confident	76	Confident	38 Å²	38	56.4 Å²	56.4	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-56.9	-38.3	170.8	178.9	0	0	0	0	110.9	S36 I51 V55	V32-S36 WeakPolarHBondContact O-CB 3.38Å; V32-S36 PolarHBondContact O-N 3.36Å; V32-I51 HydrophobicContact CG1-CB 4.34Å; V32-I51 HydrophobicContact CG1-CG2 3.87Å; V32-V55 HydrophobicContact CG2-CB 4.07Å; V32-V55 HydrophobicContact CG2-CG1 4.1Å; V32-V55 HydrophobicContact CG2-CG2 3.95Å
33	D	82.3	Confident	75.1	Confident	127 Å²	127	58.7 Å²	58.7	68%	0.679	33%	0.327	S	S	*	.	H	α-helix	trans	-67.5	-38.2	-177.7	-67.6	-26.3	0	0	0	112.6	G31 S36 Y37	G31-D33 PolarHBondContact O-N 3.2Å; D33-S36 PolarHBondContact O-N 3.41Å; D33-Y37 VanDerWaalsContact O-CB 3.3Å; D33-Y37 WeakPolarHBondContact O-CB 3.45Å; D33-Y37 PolarHBondContact O-N 3.03Å
34	D	82	Confident	73.8	Confident	23 Å²	23	62 Å²	62	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-70.9	-40	-179.5	-52.8	-59	0	0	0	111.4	I22 L30 G31 Y37 L38	I22-D34 HydrophobicContact CG2-CB 3.82Å; L30-D34 HydrophobicContact CB-CB 4.41Å; L30-D34 HydrophobicContact CD2-CB 3.94Å; G31-D34 PolarHBondContact N-OD2 3.13Å; G31-D34 PolarHBondContact O-N 2.9Å; D34-Y37 PolarHBondContact O-N 3.1Å; D34-L38 WeakPolarHBondContact O-CB 3.35Å; D34-L38 PolarHBondContact O-N 3.32Å
35	I	75.6	Confident	72.8	Confident	21 Å²	21	60.1 Å²	60.1	11%	0.108	36%	0.359	C	S	.	.	H	α-helix	trans	-68	-41.5	174	-58.8	-176.9	0	0	0	110.5	G31 Y37 L38 L39 I51 V55 I65	G31-I35 PolarHBondContact O-N 3.3Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 3.46Å; I35-L38 WeakPolarHBondContact O-CB 3.18Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-L39 HydrophobicContact CG2-CD1 3.9Å; I35-L39 HydrophobicContact CG2-CG 4.25Å; I35-L39 WeakPolarHBondContact O-CB 3.44Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.35Å; I35-L39 PolarHBondContact O-N 2.72Å; I35-I51 HydrophobicContact CB-CG2 3.99Å; I35-I51 HydrophobicContact CG2-CG2 3.84Å; I35-V55 HydrophobicContact CD1-CG2 3.46Å; I35-V55 VanDerWaalsContact CD1-CG2 3.46Å; I35-V55 HydrophobicContact CG1-CG2 4.47Å; I35-I65 HydrophobicContact CD1-CD1 3.5Å; I35-I65 HydrophobicContact CD1-CG1 4.41Å
36	S	74.1	Confident	71.9	Confident	27 Å²	27	57.8 Å²	57.8	19%	0.189	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-44.3	174.4	-176.6	0	0	0	0	111.5	V32 D33 L39 T40	V32-S36 WeakPolarHBondContact O-CB 3.38Å; V32-S36 PolarHBondContact O-N 3.36Å; D33-S36 PolarHBondContact O-N 3.41Å; S36-L39 PolarHBondContact O-N 3.4Å; S36-T40 VanDerWaalsContact O-CB 3.28Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 3.36Å; S36-T40 PolarHBondContact O-OG1 3.13Å
37	Y	74.7	Confident	71.5	Confident	107 Å²	107	55.4 Å²	55.4	42%	0.42	34%	0.343	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.3	178.2	-101.1	0	0	0	112	K24 D33 D34 I35 T40 T41	K24-Y37 VanDerWaalsContact NZ-CD1 3.35Å; K24-Y37 VanDerWaalsContact NZ-CZ 3.32Å; D33-Y37 VanDerWaalsContact O-CB 3.3Å; D33-Y37 WeakPolarHBondContact O-CB 3.45Å; D33-Y37 PolarHBondContact O-N 3.03Å; D34-Y37 PolarHBondContact O-N 3.1Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 3.46Å; Y37-T40 PolarHBondContact O-N 3.42Å; Y37-T41 VanDerWaalsContact O-CB 3.24Å; Y37-T41 WeakPolarHBondContact O-CB 3.45Å; Y37-T41 PolarHBondContact O-N 3.43Å; Y37-T41 PolarHBondContact O-OG1 3.42Å
38	L	68.7	Low	71.1	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.162	35%	0.353	C	S	.	.	H	α-helix	trans	-59.2	-50	175.4	174.9	65.7	0	0	0	111.2	I22 D34 I35 T40 T41 L42	I22-L38 HydrophobicContact CD1-CD1 4.25Å; I22-L38 HydrophobicContact CD1-CD2 3.66Å; I22-L38 HydrophobicContact CD1-CG 4.45Å; I22-L38 HydrophobicContact CG1-CD1 4.06Å; I22-L38 HydrophobicContact CG1-CD2 4.17Å; I22-L38 HydrophobicContact CG1-CG 4.46Å; I22-L38 HydrophobicContact CG2-CB 4.24Å; D34-L38 WeakPolarHBondContact O-CB 3.35Å; D34-L38 PolarHBondContact O-N 3.32Å; I35-L38 WeakPolarHBondContact O-CB 3.18Å; I35-L38 PolarHBondContact O-N 3.37Å; L38-T40 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 3.48Å; L38-T41 WeakPolarHBondContact O-CB 3.42Å; L38-T41 PolarHBondContact O-N 3.29Å; L38-L42 HydrophobicContact CD1-CD1 4.01Å; L38-L42 HydrophobicContact CD1-CG 4.25Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 2.71Å
39	L	65.4	Low	70.9	Confident	29 Å²	29	62.3 Å²	62.3	15%	0.152	37%	0.366	C	S	.	.	H	α-helix	trans	-62.7	-42.2	-179.6	-68.8	171.8	0	0	0	111.4	I35 S36 T41 L42 G43 I44 C46 I51	I35-L39 HydrophobicContact CG2-CD1 3.9Å; I35-L39 HydrophobicContact CG2-CG 4.25Å; I35-L39 WeakPolarHBondContact O-CB 3.44Å; I35-L39 VanDerWaalsContact O-CG 3.27Å; I35-L39 WeakPolarHBondContact O-CG 3.35Å; I35-L39 PolarHBondContact O-N 2.72Å; S36-L39 PolarHBondContact O-N 3.4Å; L39-T41 VanDerWaalsContact C-N 3.35Å; L39-T41 PolarHBondContact O-N 2.85Å; L39-L42 CarbonylContact O-C 3.58Å; L39-L42 PolarHBondContact O-N 3.16Å; L39-G43 PolarHBondContact O-N 3.36Å; L39-G43 VanDerWaalsContact O-N 3.16Å; L39-I44 CarbonylContact C-O 3.47Å; L39-I44 HydrophobicContact CB-CB 4.43Å; L39-I44 HydrophobicContact CD2-CB 4.29Å; L39-I44 HydrophobicContact CD2-CD1 4.11Å; L39-I44 HydrophobicContact CD2-CG2 4.34Å; L39-I44 PolarHBondContact O-N 3.28Å; L39-C46 HydrophobicContact CD1-CB 3.89Å; L39-I51 HydrophobicContact CD1-CD1 3.94Å; L39-I51 HydrophobicContact CD1-CG1 3.77Å
40	T	66.9	Low	70.3	Confident	97 Å²	97	62.5 Å²	62.5	60%	0.595	37%	0.373	S	S	*	.	H	α-helix	trans	-61.8	-42.3	173.9	-59	0	0	0	0	111.6	S36 Y37 L38 L42 G43	S36-T40 VanDerWaalsContact O-CB 3.28Å; S36-T40 WeakPolarHBondContact O-CB 3.47Å; S36-T40 PolarHBondContact O-N 3.36Å; S36-T40 PolarHBondContact O-OG1 3.13Å; Y37-T40 PolarHBondContact O-N 3.42Å; L38-T40 VanDerWaalsContact C-N 3.34Å; L38-T40 PolarHBondContact O-N 3.48Å; T40-L42 VanDerWaalsContact C-N 3.27Å; T40-L42 PolarHBondContact O-N 3.24Å; T40-G43 PolarHBondContact O-N 2.88Å
41	T	63.1	Low	69.8	Low	31 Å²	31	62.6 Å²	62.6	19%	0.19	37%	0.373	C	S	.	.	H	α-helix	trans	-65.4	-32.8	177.4	-60.6	0	0	0	0	111.9	Y37 L38 L39 G43 F134	Y37-T41 VanDerWaalsContact O-CB 3.24Å; Y37-T41 WeakPolarHBondContact O-CB 3.45Å; Y37-T41 PolarHBondContact O-N 3.43Å; Y37-T41 PolarHBondContact O-OG1 3.42Å; L38-T41 WeakPolarHBondContact O-CB 3.42Å; L38-T41 PolarHBondContact O-N 3.29Å; L39-T41 VanDerWaalsContact C-N 3.35Å; L39-T41 PolarHBondContact O-N 2.85Å; T41-G43 PolarHBondContact O-N 2.91Å; T41-F134 HydrophobicContact CG2-CE2 3.77Å; T41-F134 HydrophobicContact CG2-CZ 3.47Å; T41-F134 VanDerWaalsContact CG2-CZ 3.47Å
42	L	57.6	Low	69.5	Low	59 Å²	59	63.8 Å²	63.8	31%	0.309	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.2	173.2	-66.2	174	0	0	0	113.4	L38 L39 T40 I44 I130	L38-L42 HydrophobicContact CD1-CD1 4.01Å; L38-L42 HydrophobicContact CD1-CG 4.25Å; L38-L42 HydrophobicContact CG-CD1 4.03Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 VanDerWaalsContact O-CG 3.28Å; L38-L42 WeakPolarHBondContact O-CG 3.22Å; L38-L42 PolarHBondContact O-N 2.71Å; L39-L42 CarbonylContact O-C 3.58Å; L39-L42 PolarHBondContact O-N 3.16Å; T40-L42 VanDerWaalsContact C-N 3.27Å; T40-L42 PolarHBondContact O-N 3.24Å; L42-I44 HydrophobicContact CB-CD1 4.08Å; L42-I44 HydrophobicContact CB-CG1 4.06Å; L42-I44 HydrophobicContact CD1-CD1 4.4Å; L42-I44 PolarHBondContact O-N 2.9Å; L42-I130 WeakPolarHBondContact O-CD1 3.27Å
43	G	54.1	Low	69.1	Low	51 Å²	51	65.2 Å²	65.2	53%	0.526	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	15.9	-178.2	0	0	0	0	0	114.1	L39 T40 T41	L39-G43 PolarHBondContact O-N 3.36Å; L39-G43 VanDerWaalsContact O-N 3.16Å; T40-G43 PolarHBondContact O-N 2.88Å; T41-G43 PolarHBondContact O-N 2.91Å
44	I	54.3	Low	68.5	Low	77 Å²	77	63 Å²	63	40%	0.395	38%	0.375	S	S	.	.			trans	-90.6	106.6	177.4	-54.8	175.5	0	0	0	107.5	L39 L42 C46	L39-I44 CarbonylContact C-O 3.47Å; L39-I44 HydrophobicContact CB-CB 4.43Å; L39-I44 HydrophobicContact CD2-CB 4.29Å; L39-I44 HydrophobicContact CD2-CD1 4.11Å; L39-I44 HydrophobicContact CD2-CG2 4.34Å; L39-I44 PolarHBondContact O-N 3.28Å; L42-I44 HydrophobicContact CB-CD1 4.08Å; L42-I44 HydrophobicContact CB-CG1 4.06Å; L42-I44 HydrophobicContact CD1-CD1 4.4Å; L42-I44 PolarHBondContact O-N 2.9Å; I44-C46 VanDerWaalsContact CG2-SG 3.58Å; I44-C46 PolarHBondContact O-N 3.46Å; I44-C46 VanDerWaalsContact O-N 3.16Å
45	G	52.7	Low	68.1	Low	81 Å²	81	62 Å²	62	84%	0.835	37%	0.37	S	S	*	.			trans	-72.1	103.3	171.3	0	0	0	0	0	110.3
46	C	63	Low	68.1	Low	53 Å²	53	69 Å²	69	36%	0.358	40%	0.395	S	S	.	.			trans	-115.6	141.9	171.6	-73.8	0	0	0	0	110	L39 I44 I51	L39-C46 HydrophobicContact CD1-CB 3.89Å; I44-C46 VanDerWaalsContact CG2-SG 3.58Å; I44-C46 PolarHBondContact O-N 3.46Å; I44-C46 VanDerWaalsContact O-N 3.16Å; C46-I51 HydrophobicContact CB-CD1 3.94Å; C46-I51 HydrophobicContact CB-CG1 3.85Å
47	N	71.8	Confident	68	Low	115 Å²	115	74.4 Å²	74.4	62%	0.615	42%	0.417	S	S	*	.			trans	-74.5	143.5	174.9	-63.4	-7.5	0	0	0	109.8	D49 S50 I51	N47-D49 PolarHBondContact O-N 3Å; N47-D49 VanDerWaalsContact O-N 3.15Å; N47-S50 WeakPolarHBondContact O-CA 3.45Å; N47-S50 WeakPolarHBondContact O-CB 3.36Å; N47-S50 PolarHBondContact O-N 3.24Å; N47-I51 WeakPolarHBondContact O-CG1 3.26Å; N47-I51 PolarHBondContact O-N 3.29Å; N47-I51 VanDerWaalsContact O-N 3.11Å
48	E	74.9	Confident	67.6	Low	142 Å²	142	71.7 Å²	71.7	66%	0.664	41%	0.409	S	S	*	.	H	α-helix	trans	-53.2	-36.1	176.7	-69.3	-179.3	179.5	0	0	112.4	S50 I51 S52	E48-S50 VanDerWaalsContact C-N 3.31Å; E48-S50 PolarHBondContact O-N 3.12Å; E48-I51 PolarHBondContact O-N 2.84Å; E48-S52 WeakPolarHBondContact O-CB 3.26Å; E48-S52 PolarHBondContact O-N 3.49Å; E48-S52 PolarHBondContact O-OG 3.48Å
49	D	77.6	Confident	67.7	Low	124 Å²	124	70.9 Å²	70.9	66%	0.663	41%	0.406	S	S	*	.	H	α-helix	trans	-61.4	-37.2	175.1	-64.1	-34.4	0	0	0	113	N47 S52 T53	N47-D49 PolarHBondContact O-N 3Å; N47-D49 VanDerWaalsContact O-N 3.15Å; D49-S52 VanDerWaalsContact C-OG 3.32Å; D49-S52 VanDerWaalsContact CA-OG 3.29Å; D49-S52 WeakPolarHBondContact CA-OG 3.18Å; D49-S52 PolarHBondContact O-OG 3.47Å; D49-T53 VanDerWaalsContact O-CB 3.29Å; D49-T53 WeakPolarHBondContact O-CB 3.44Å; D49-T53 PolarHBondContact O-N 2.88Å; D49-T53 PolarHBondContact O-OG1 2.69Å
50	S	72.3	Confident	67.7	Low	60 Å²	60	75.2 Å²	75.2	42%	0.42	43%	0.429	S	S	.	.	H	α-helix	trans	-73.5	-39.4	178	-58.8	0	0	0	0	110.9	N47 E48 T53 I54	N47-S50 WeakPolarHBondContact O-CA 3.45Å; N47-S50 WeakPolarHBondContact O-CB 3.36Å; N47-S50 PolarHBondContact O-N 3.24Å; E48-S50 VanDerWaalsContact C-N 3.31Å; E48-S50 PolarHBondContact O-N 3.12Å; S50-T53 PolarHBondContact O-N 3.4Å; S50-I54 WeakPolarHBondContact O-CD1 3.38Å; S50-I54 VanDerWaalsContact O-CG1 3.24Å; S50-I54 WeakPolarHBondContact O-CG1 3.34Å; S50-I54 PolarHBondContact O-N 3.17Å
51	I	70.7	Confident	67.5	Low	2 Å²	2	75.2 Å²	75.2	1%	0.01	43%	0.434	C	S	.	.	H	α-helix	trans	-68.1	-48	179.1	-58.2	167.9	0	0	0	110.3	V32 I35 L39 C46 N47 E48 T53 I54 V55	V32-I51 HydrophobicContact CG1-CB 4.34Å; V32-I51 HydrophobicContact CG1-CG2 3.87Å; I35-I51 HydrophobicContact CB-CG2 3.99Å; I35-I51 HydrophobicContact CG2-CG2 3.84Å; L39-I51 HydrophobicContact CD1-CD1 3.94Å; L39-I51 HydrophobicContact CD1-CG1 3.77Å; C46-I51 HydrophobicContact CB-CD1 3.94Å; C46-I51 HydrophobicContact CB-CG1 3.85Å; N47-I51 WeakPolarHBondContact O-CG1 3.26Å; N47-I51 PolarHBondContact O-N 3.29Å; N47-I51 VanDerWaalsContact O-N 3.11Å; E48-I51 PolarHBondContact O-N 2.84Å; I51-T53 VanDerWaalsContact C-N 3.28Å; I51-T53 PolarHBondContact O-N 3.24Å; I51-I54 WeakPolarHBondContact O-CB 3.49Å; I51-I54 PolarHBondContact O-N 3.45Å; I51-I54 VanDerWaalsContact O-N 3.08Å; I51-V55 HydrophobicContact CG2-CG2 4.43Å; I51-V55 WeakPolarHBondContact O-CG2 3.49Å; I51-V55 PolarHBondContact O-N 3.25Å
52	S	76.4	Confident	67.5	Low	44 Å²	44	79.2 Å²	79.2	31%	0.308	45%	0.45	S	S	.	.	H	α-helix	trans	-59.6	-39.4	175	55.3	0	0	0	0	111.9	E48 D49 I54 V55 R56	E48-S52 WeakPolarHBondContact O-CB 3.26Å; E48-S52 PolarHBondContact O-N 3.49Å; E48-S52 PolarHBondContact O-OG 3.48Å; D49-S52 VanDerWaalsContact C-OG 3.32Å; D49-S52 VanDerWaalsContact CA-OG 3.29Å; D49-S52 WeakPolarHBondContact CA-OG 3.18Å; D49-S52 PolarHBondContact O-OG 3.47Å; S52-I54 PolarHBondContact O-N 3.47Å; S52-V55 PolarHBondContact O-N 2.93Å; S52-R56 WeakPolarHBondContact O-CB 3.46Å; S52-R56 PolarHBondContact O-N 3.44Å
53	T	74	Confident	68.1	Low	68 Å²	68	82 Å²	82	42%	0.417	47%	0.465	S	S	.	.	H	α-helix	trans	-59.9	-47.4	172.8	-62.3	0	0	0	0	110.7	D49 S50 I51 R56 H57	D49-T53 VanDerWaalsContact O-CB 3.29Å; D49-T53 WeakPolarHBondContact O-CB 3.44Å; D49-T53 PolarHBondContact O-N 2.88Å; D49-T53 PolarHBondContact O-OG1 2.69Å; S50-T53 PolarHBondContact O-N 3.4Å; I51-T53 VanDerWaalsContact C-N 3.28Å; I51-T53 PolarHBondContact O-N 3.24Å; T53-R56 PolarHBondContact O-N 3.44Å; T53-H57 VanDerWaalsContact CG2-CE1 3.41Å; T53-H57 WeakPolarHBondContact CG2-CE1 3.29Å; T53-H57 WeakPolarHBondContact CG2-ND1 3.19Å; T53-H57 PolarHBondContact O-N 2.82Å; T53-H57 PolarHBondContact O-ND1 3.36Å
54	I	68.1	Low	69.2	Low	82 Å²	82	80.2 Å²	80.2	42%	0.421	45%	0.445	S	S	.	.	H	α-helix	trans	-59.4	-54.3	177.8	-70.5	164.2	0	0	0	110	S50 I51 S52 R56 H57 L58	S50-I54 WeakPolarHBondContact O-CD1 3.38Å; S50-I54 VanDerWaalsContact O-CG1 3.24Å; S50-I54 WeakPolarHBondContact O-CG1 3.34Å; S50-I54 PolarHBondContact O-N 3.17Å; I51-I54 WeakPolarHBondContact O-CB 3.49Å; I51-I54 PolarHBondContact O-N 3.45Å; I51-I54 VanDerWaalsContact O-N 3.08Å; S52-I54 PolarHBondContact O-N 3.47Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 PolarHBondContact O-N 3.31Å; I54-H57 PolarHBondContact O-N 3.05Å; I54-H57 VanDerWaalsContact O-N 3.11Å; I54-L58 HydrophobicContact CG2-CD1 3.5Å; I54-L58 VanDerWaalsContact CG2-CD1 3.5Å; I54-L58 VanDerWaalsContact O-CD1 3.26Å; I54-L58 WeakPolarHBondContact O-CD1 3.47Å; I54-L58 WeakPolarHBondContact O-CG 3.11Å; I54-L58 PolarHBondContact O-N 2.85Å
55	V	74	Confident	70.4	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.006	43%	0.426	C	S	.	.	H	α-helix	trans	-53.1	-50.4	178.4	172.8	0	0	0	0	110.8	V32 I35 I51 S52 H57 L58 S59 I65	V32-V55 HydrophobicContact CG2-CB 4.07Å; V32-V55 HydrophobicContact CG2-CG1 4.1Å; V32-V55 HydrophobicContact CG2-CG2 3.95Å; I35-V55 HydrophobicContact CD1-CG2 3.46Å; I35-V55 VanDerWaalsContact CD1-CG2 3.46Å; I35-V55 HydrophobicContact CG1-CG2 4.47Å; I51-V55 HydrophobicContact CG2-CG2 4.43Å; I51-V55 WeakPolarHBondContact O-CG2 3.49Å; I51-V55 PolarHBondContact O-N 3.25Å; S52-V55 PolarHBondContact O-N 2.93Å; V55-H57 VanDerWaalsContact C-N 3.28Å; V55-H57 PolarHBondContact O-N 3.5Å; V55-L58 CarbonylContact O-C 3.57Å; V55-L58 PolarHBondContact O-N 3.5Å; V55-S59 WeakPolarHBondContact O-CB 3.49Å; V55-S59 PolarHBondContact O-N 3.34Å; V55-S59 PolarHBondContact O-OG 2.89Å; V55-S59 VanDerWaalsContact O-OG 3.07Å; V55-I65 HydrophobicContact CG1-CG1 4.4Å; V55-I65 HydrophobicContact CG2-CD1 4.42Å
56	R	76.3	Confident	71.7	Confident	169 Å²	169	77.5 Å²	77.5	64%	0.638	40%	0.404	S	S	*	.	H	α-helix	trans	-62.6	-32.6	-178.1	-161.6	-180	78.8	168	3.4	113.5	S52 T53 I54 L58 S59	S52-R56 WeakPolarHBondContact O-CB 3.46Å; S52-R56 PolarHBondContact O-N 3.44Å; T53-R56 PolarHBondContact O-N 3.44Å; I54-R56 VanDerWaalsContact C-N 3.31Å; I54-R56 PolarHBondContact O-N 3.31Å; R56-L58 VanDerWaalsContact C-N 3.27Å; R56-S59 VanDerWaalsContact CA-OG 3.3Å; R56-S59 WeakPolarHBondContact CA-OG 3.19Å; R56-S59 PolarHBondContact O-OG 2.82Å
57	H	72.1	Confident	72.4	Confident	140 Å²	140	76.5 Å²	76.5	65%	0.648	40%	0.395	S	S	*	.	H	α-helix	trans	-74.1	-19.5	176.6	-79.4	87.6	0	0	0	113.1	T53 I54 V55	T53-H57 VanDerWaalsContact CG2-CE1 3.41Å; T53-H57 WeakPolarHBondContact CG2-CE1 3.29Å; T53-H57 WeakPolarHBondContact CG2-ND1 3.19Å; T53-H57 PolarHBondContact O-N 2.82Å; T53-H57 PolarHBondContact O-ND1 3.36Å; I54-H57 PolarHBondContact O-N 3.05Å; I54-H57 VanDerWaalsContact O-N 3.11Å; V55-H57 VanDerWaalsContact C-N 3.28Å; V55-H57 PolarHBondContact O-N 3.5Å
58	L	64.9	Low	72.7	Confident	49 Å²	49	75.1 Å²	75.1	26%	0.257	39%	0.393	S	S	.	.	H	α-helix	trans	-110.1	-20.4	-172.8	-65.5	161.3	0	0	0	112.6	I54 V55 R56 I65 N69 L73	I54-L58 HydrophobicContact CG2-CD1 3.5Å; I54-L58 VanDerWaalsContact CG2-CD1 3.5Å; I54-L58 VanDerWaalsContact O-CD1 3.26Å; I54-L58 WeakPolarHBondContact O-CD1 3.47Å; I54-L58 WeakPolarHBondContact O-CG 3.11Å; I54-L58 PolarHBondContact O-N 2.85Å; V55-L58 CarbonylContact O-C 3.57Å; V55-L58 PolarHBondContact O-N 3.5Å; R56-L58 VanDerWaalsContact C-N 3.27Å; L58-I65 HydrophobicContact CB-CD1 3.97Å; L58-I65 HydrophobicContact CB-CG1 4.36Å; L58-I65 HydrophobicContact CD1-CD1 4.07Å; L58-N69 PolarHBondContact O-ND2 2.91Å; L58-L73 HydrophobicContact CB-CD1 4.46Å; L58-L73 HydrophobicContact CD1-CD1 3.14Å; L58-L73 HydrophobicContact CD1-CG 3.55Å; L58-L73 HydrophobicContact CD2-CB 3.97Å; L58-L73 HydrophobicContact CD2-CD1 4.06Å; L58-L73 HydrophobicContact CD2-CG 3.69Å; L58-L73 HydrophobicContact CG-CD1 4.06Å; L58-L73 HydrophobicContact CG-CG 4.21Å
59	S	70.8	Confident	72.7	Confident	15 Å²	15	69.3 Å²	69.3	11%	0.105	37%	0.366	C	S	.	.			trans	-75.4	127.8	167.3	57.5	0	0	0	0	110.2	V55 R56 S61 E62 S64	V55-S59 WeakPolarHBondContact O-CB 3.49Å; V55-S59 PolarHBondContact O-N 3.34Å; V55-S59 PolarHBondContact O-OG 2.89Å; V55-S59 VanDerWaalsContact O-OG 3.07Å; R56-S59 VanDerWaalsContact CA-OG 3.3Å; R56-S59 WeakPolarHBondContact CA-OG 3.19Å; R56-S59 PolarHBondContact O-OG 2.82Å; S59-S61 PolarHBondContact O-N 3.48Å; S59-E62 WeakPolarHBondContact CB-O 3.44Å; S59-S64 WeakPolarHBondContact CB-O 3.14Å
60	D	65.4	Low	72.5	Confident	119 Å²	119	64.1 Å²	64.1	64%	0.636	34%	0.338	S	S	*	.	S	Bend	trans	-72.5	-16.6	176.5	-67.8	-47.9	0	0	0	113.3	N69	D60-N69 PolarHBondContact OD2-ND2 3.31Å
61	S	63.4	Low	72.5	Confident	98 Å²	98	63 Å²	63	69%	0.685	33%	0.326	S	S	*	.	S	Bend	trans	-175.9	-19.6	-177.2	35.7	0	0	0	0	116	S59	S59-S61 PolarHBondContact O-N 3.48Å
62	E	63.4	Low	72.5	Confident	114 Å²	114	67.6 Å²	67.6	53%	0.533	35%	0.348	S	S	.	.	S	Bend	trans	-126.5	126.3	-175.5	-63	177.8	147.7	0	0	106.3	S59 S64 R66	S59-E62 WeakPolarHBondContact CB-O 3.44Å; E62-S64 WeakPolarHBondContact O-CA 3.37Å; E62-S64 PolarHBondContact O-N 3.39Å; E62-S64 PolarHBondContact O-OG 3.02Å; E62-R66 IonicContact OE2-NH1 3.52Å
63	D	70.1	Confident	72	Confident	118 Å²	118	67.2 Å²	67.2	63%	0.631	34%	0.342	S	S	*	.	S	Bend	trans	-53.8	51.9	-173.2	-63.9	-54.6	0	0	0	115.4
64	S	77.8	Confident	71.4	Confident	14 Å²	14	64.7 Å²	64.7	10%	0.098	33%	0.326	C	S	.	.	S	Bend	trans	-161	139.3	-159.1	70.2	0	0	0	0	108.8	L30 S59 E62	L30-S64 CarbonylContact O-C 3.52Å; L30-S64 VanDerWaalsContact O-CA 3.31Å; L30-S64 WeakPolarHBondContact O-CA 2.97Å; S59-S64 WeakPolarHBondContact CB-O 3.14Å; E62-S64 WeakPolarHBondContact O-CA 3.37Å; E62-S64 PolarHBondContact O-N 3.39Å; E62-S64 PolarHBondContact O-OG 3.02Å
65	I	78.1	Confident	71.1	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.9	-179.1	-53.8	-175.2	0	0	0	108.3	F19 L30 I35 V55 L58 N69 F70 L73	F19-I65 WeakPolarHBondContact CE2-O 3.37Å; L30-I65 HydrophobicContact CB-CB 4.34Å; L30-I65 PolarHBondContact N-O 3.4Å; L30-I65 PolarHBondContact O-N 2.95Å; I35-I65 HydrophobicContact CD1-CD1 3.5Å; I35-I65 HydrophobicContact CD1-CG1 4.41Å; V55-I65 HydrophobicContact CG1-CG1 4.4Å; V55-I65 HydrophobicContact CG2-CD1 4.42Å; L58-I65 HydrophobicContact CB-CD1 3.97Å; L58-I65 HydrophobicContact CB-CG1 4.36Å; L58-I65 HydrophobicContact CD1-CD1 4.07Å; I65-N69 HydrophobicContact CG2-CB 3.91Å; I65-F70 HydrophobicContact CG2-CB 3.83Å; I65-L73 HydrophobicContact CD1-CD1 4.05Å
66	R	81.1	Confident	70.3	Confident	101 Å²	101	69.4 Å²	69.4	38%	0.381	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	155.5	171	-71.7	-176.7	-80.4	-115.6	0.7	110.8	I29 E62 P68 N69 F70	I29-R66 HydrophobicContact CG2-CG 3.84Å; E62-R66 IonicContact OE2-NH1 3.52Å; R66-P68 VanDerWaalsContact C-CD 3.41Å; R66-P68 VanDerWaalsContact C-N 3.33Å; R66-P68 VanDerWaalsContact O-N 3.17Å; R66-N69 WeakPolarHBondContact O-CB 3.24Å; R66-N69 PolarHBondContact O-N 3.3Å; R66-F70 PolarHBondContact O-N 2.99Å
67	L	77.8	Confident	69.3	Low	31 Å²	31	63 Å²	63	16%	0.162	33%	0.328	C	S	.	.	H	α-helix	trans	-47.1	-44.4	178.3	178.5	66.9	0	0	0	114.5	F19 N69 F70 I71	F19-L67 HydrophobicContact CB-CD1 3.64Å; F19-L67 HydrophobicContact CD1-CD1 4.42Å; F19-L67 HydrophobicContact CD2-CB 4.19Å; F19-L67 HydrophobicContact CD2-CD1 3.79Å; F19-L67 HydrophobicContact CE2-CB 4.12Å; F19-L67 HydrophobicContact CG-CB 4.4Å; F19-L67 HydrophobicContact CG-CD1 3.69Å; F19-L67 HydrophobicContact CZ-CB 4.32Å; L67-N69 PolarHBondContact O-N 3.47Å; L67-F70 WeakPolarHBondContact O-CB 3.48Å; L67-F70 PolarHBondContact O-N 2.72Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.11Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 HydrophobicContact CG-CG1 4.48Å; L67-I71 VanDerWaalsContact O-CG1 3.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.29Å
68	P	76.7	Confident	68.5	Low	87 Å²	87	57.9 Å²	57.9	57%	0.565	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-42.8	177.4	-23.3	35.7	0	0	0	112.7	R66 F70 I71 E72	R66-P68 VanDerWaalsContact C-CD 3.41Å; R66-P68 VanDerWaalsContact C-N 3.33Å; R66-P68 VanDerWaalsContact O-N 3.17Å; P68-F70 VanDerWaalsContact C-N 3.35Å; P68-I71 PolarHBondContact O-N 2.65Å; P68-E72 PolarHBondContact O-N 3.38Å
69	N	75.2	Confident	67.8	Low	20 Å²	20	63.1 Å²	63.1	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-68.3	-37.1	178.5	-63.4	32.1	0	0	0	110.7	L58 D60 I65 R66 L67 E72 L73	L58-N69 PolarHBondContact O-ND2 2.91Å; D60-N69 PolarHBondContact OD2-ND2 3.31Å; I65-N69 HydrophobicContact CG2-CB 3.91Å; R66-N69 WeakPolarHBondContact O-CB 3.24Å; R66-N69 PolarHBondContact O-N 3.3Å; L67-N69 PolarHBondContact O-N 3.47Å; N69-E72 PolarHBondContact O-N 3.36Å; N69-L73 WeakPolarHBondContact O-CB 3.03Å; N69-L73 PolarHBondContact O-N 3.45Å
70	F	73.9	Confident	66.6	Low	14 Å²	14	66.8 Å²	66.8	6%	0.061	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-41.4	174.9	-179.1	-104.7	0	0	0	112.3	A18 F19 I22 L30 I65 R66 L67 P68 L73 L74	A18-F70 HydrophobicContact CB-CE1 4.43Å; F19-F70 HydrophobicContact CB-CD1 4.29Å; F19-F70 HydrophobicContact CB-CE1 4.27Å; F19-F70 HydrophobicContact CD2-CB 3.85Å; F19-F70 AromaticContact CD2-CD1 3.77Å; F19-F70 HydrophobicContact CD2-CD1 3.77Å; F19-F70 HydrophobicContact CD2-CD2 4.42Å; F19-F70 HydrophobicContact CD2-CE1 4.37Å; F19-F70 AromaticContact CD2-CG 3.78Å; F19-F70 HydrophobicContact CD2-CG 3.78Å; F19-F70 HydrophobicContact CE2-CB 4.02Å; F19-F70 HydrophobicContact CE2-CG 4.34Å; I22-F70 HydrophobicContact CD1-CE2 4.29Å; I22-F70 HydrophobicContact CD1-CZ 3.86Å; L30-F70 HydrophobicContact CD1-CD2 3.8Å; L30-F70 HydrophobicContact CD1-CE2 3.88Å; L30-F70 HydrophobicContact CD1-CG 4.4Å; I65-F70 HydrophobicContact CG2-CB 3.83Å; R66-F70 PolarHBondContact O-N 2.99Å; L67-F70 WeakPolarHBondContact O-CB 3.48Å; L67-F70 PolarHBondContact O-N 2.72Å; P68-F70 VanDerWaalsContact C-N 3.35Å; F70-L73 WeakPolarHBondContact O-CB 3.34Å; F70-L73 PolarHBondContact O-N 2.98Å; F70-L74 HydrophobicContact CD1-CD1 3.92Å; F70-L74 HydrophobicContact CD2-CD1 4.44Å; F70-L74 HydrophobicContact CE1-CD1 3.32Å; F70-L74 HydrophobicContact CE1-CG 4.44Å; F70-L74 HydrophobicContact CE2-CD1 3.9Å; F70-L74 HydrophobicContact CE2-CG 4.42Å; F70-L74 HydrophobicContact CG-CD1 4.46Å; F70-L74 HydrophobicContact CZ-CD1 3.32Å; F70-L74 HydrophobicContact CZ-CG 4.29Å; F70-L74 WeakPolarHBondContact O-CB 3.26Å; F70-L74 PolarHBondContact O-N 3.19Å
71	I	72.7	Confident	65.7	Low	36 Å²	36	62.7 Å²	62.7	19%	0.185	33%	0.332	C	S	.	.	H	α-helix	trans	-67.3	-42.9	176.4	-68	168.9	0	0	0	110.5	Y12 L15 L67 P68 L74 G75	Y12-I71 HydrophobicContact CD2-CD1 3.42Å; Y12-I71 VanDerWaalsContact CD2-CD1 3.42Å; Y12-I71 HydrophobicContact CE2-CD1 3.46Å; Y12-I71 VanDerWaalsContact CE2-CD1 3.46Å; Y12-I71 HydrophobicContact CG-CD1 4.37Å; L15-I71 HydrophobicContact CB-CG1 4Å; L15-I71 HydrophobicContact CD1-CB 4.25Å; L15-I71 HydrophobicContact CD1-CG1 3.98Å; L15-I71 HydrophobicContact CD1-CG2 3.98Å; L67-I71 HydrophobicContact CD1-CD1 3.89Å; L67-I71 HydrophobicContact CD1-CG1 4.11Å; L67-I71 HydrophobicContact CG-CD1 3.9Å; L67-I71 HydrophobicContact CG-CG1 4.48Å; L67-I71 VanDerWaalsContact O-CG1 3.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.44Å; L67-I71 PolarHBondContact O-N 3.29Å; P68-I71 PolarHBondContact O-N 2.65Å; I71-L74 PolarHBondContact O-N 2.92Å; I71-G75 PolarHBondContact O-N 3.07Å
72	E	69.7	Low	64.8	Low	100 Å²	100	63 Å²	63	47%	0.467	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-44	176.2	-176.3	172.8	-174.9	0	0	111.8	P68 N69 G75 R76	P68-E72 PolarHBondContact O-N 3.38Å; N69-E72 PolarHBondContact O-N 3.36Å; E72-G75 PolarHBondContact O-N 3.02Å; E72-R76 WeakPolarHBondContact O-CB 3.37Å; E72-R76 WeakPolarHBondContact O-CG 3.2Å; E72-R76 PolarHBondContact O-N 2.95Å; E72-R76 IonicContact OE1-CZ 3.23Å; E72-R76 VanDerWaalsContact OE1-CZ 3.23Å; E72-R76 IonicContact OE1-NE 3.37Å; E72-R76 PolarHBondContact OE1-NE 3.19Å; E72-R76 IonicContact OE1-NH2 2.64Å; E72-R76 PolarHBondContact OE1-NH2 3Å
73	L	65.5	Low	64	Low	36 Å²	36	65.6 Å²	65.6	19%	0.188	34%	0.338	C	S	.	.	H	α-helix	trans	-56.6	-54.2	174.5	-178	-174.5	0	0	0	110.8	L58 I65 N69 F70 G75 R76 A77	L58-L73 HydrophobicContact CB-CD1 4.46Å; L58-L73 HydrophobicContact CD1-CD1 3.14Å; L58-L73 HydrophobicContact CD1-CG 3.55Å; L58-L73 HydrophobicContact CD2-CB 3.97Å; L58-L73 HydrophobicContact CD2-CD1 4.06Å; L58-L73 HydrophobicContact CD2-CG 3.69Å; L58-L73 HydrophobicContact CG-CD1 4.06Å; L58-L73 HydrophobicContact CG-CG 4.21Å; I65-L73 HydrophobicContact CD1-CD1 4.05Å; N69-L73 WeakPolarHBondContact O-CB 3.03Å; N69-L73 PolarHBondContact O-N 3.45Å; F70-L73 WeakPolarHBondContact O-CB 3.34Å; F70-L73 PolarHBondContact O-N 2.98Å; L73-G75 VanDerWaalsContact C-N 3.31Å; L73-G75 PolarHBondContact O-N 3.23Å; L73-R76 PolarHBondContact O-N 3.03Å; L73-A77 HydrophobicContact CD2-CB 4.34Å; L73-A77 VanDerWaalsContact O-CB 3.26Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 2.88Å
74	L	63.1	Low	62.6	Low	15 Å²	15	67.5 Å²	67.5	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-67.1	-34.7	-179	-78.1	176.8	0	0	0	111.7	L15 F70 I71 A77 L78 F91	L15-L74 HydrophobicContact CD1-CB 4.38Å; L15-L74 HydrophobicContact CD2-CB 4.34Å; L15-L74 HydrophobicContact CD2-CD1 3.41Å; L15-L74 VanDerWaalsContact CD2-CD1 3.41Å; F70-L74 HydrophobicContact CD1-CD1 3.92Å; F70-L74 HydrophobicContact CD2-CD1 4.44Å; F70-L74 HydrophobicContact CE1-CD1 3.32Å; F70-L74 HydrophobicContact CE1-CG 4.44Å; F70-L74 HydrophobicContact CE2-CD1 3.9Å; F70-L74 HydrophobicContact CE2-CG 4.42Å; F70-L74 HydrophobicContact CG-CD1 4.46Å; F70-L74 HydrophobicContact CZ-CD1 3.32Å; F70-L74 HydrophobicContact CZ-CG 4.29Å; F70-L74 WeakPolarHBondContact O-CB 3.26Å; F70-L74 PolarHBondContact O-N 3.19Å; I71-L74 PolarHBondContact O-N 2.92Å; L74-A77 PolarHBondContact O-N 2.76Å; L74-L78 WeakPolarHBondContact O-CB 3.17Å; L74-L78 WeakPolarHBondContact O-CD1 2.91Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.25Å; L74-F91 HydrophobicContact CD2-CE1 4.23Å
75	G	61.8	Low	60.9	Low	20 Å²	20	71.4 Å²	71.4	21%	0.206	37%	0.365	C	S	.	.	H	α-helix	trans	-57.2	-54	170.9	0	0	0	0	0	111.5	I71 E72 L73 A77 L78 E79	I71-G75 PolarHBondContact O-N 3.07Å; E72-G75 PolarHBondContact O-N 3.02Å; L73-G75 VanDerWaalsContact C-N 3.31Å; L73-G75 PolarHBondContact O-N 3.23Å; G75-A77 PolarHBondContact O-N 3.24Å; G75-L78 PolarHBondContact O-N 3.35Å; G75-E79 WeakPolarHBondContact O-CB 3.31Å; G75-E79 WeakPolarHBondContact O-CG 3.17Å; G75-E79 PolarHBondContact O-N 3.25Å
76	R	57.4	Low	59.2	Low	161 Å²	161	75.1 Å²	75.1	61%	0.608	39%	0.389	S	S	*	.	H	α-helix	trans	-63.6	-40.4	177.7	-70.7	-178.3	-176.6	-171.9	3.3	112.6	E72 L73 E79 S80	E72-R76 WeakPolarHBondContact O-CB 3.37Å; E72-R76 WeakPolarHBondContact O-CG 3.2Å; E72-R76 PolarHBondContact O-N 2.95Å; E72-R76 IonicContact OE1-CZ 3.23Å; E72-R76 VanDerWaalsContact OE1-CZ 3.23Å; E72-R76 IonicContact OE1-NE 3.37Å; E72-R76 PolarHBondContact OE1-NE 3.19Å; E72-R76 IonicContact OE1-NH2 2.64Å; E72-R76 PolarHBondContact OE1-NH2 3Å; L73-R76 PolarHBondContact O-N 3.03Å; R76-E79 PolarHBondContact O-N 2.88Å; R76-S80 WeakPolarHBondContact O-CB 3.43Å; R76-S80 PolarHBondContact O-N 2.85Å; R76-S80 PolarHBondContact O-OG 3.33Å
77	A	55.3	Low	57.4	Low	34 Å²	34	72.8 Å²	72.8	28%	0.281	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-47.4	177.2	0	0	0	0	0	110.5	L73 L74 G75 E79 S80 L81	L73-A77 HydrophobicContact CD2-CB 4.34Å; L73-A77 VanDerWaalsContact O-CB 3.26Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 2.88Å; L74-A77 PolarHBondContact O-N 2.76Å; G75-A77 PolarHBondContact O-N 3.24Å; A77-E79 VanDerWaalsContact C-N 3.28Å; A77-E79 PolarHBondContact O-N 3.47Å; A77-S80 WeakPolarHBondContact CA-OG 3.5Å; A77-S80 PolarHBondContact O-N 2.91Å; A77-S80 VanDerWaalsContact O-N 3.15Å; A77-S80 PolarHBondContact O-OG 2.94Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.44Å; A77-L81 PolarHBondContact O-N 3.4Å
78	L	53.5	Low	55.7	Low	34 Å²	34	73.2 Å²	73.2	18%	0.178	39%	0.387	C	S	.	.	H	α-helix	trans	-61.8	-34.9	175.7	-72.5	169.6	0	0	0	112.4	L74 G75 L81 K88 F91	L74-L78 WeakPolarHBondContact O-CB 3.17Å; L74-L78 WeakPolarHBondContact O-CD1 2.91Å; L74-L78 WeakPolarHBondContact O-CG 3.28Å; L74-L78 PolarHBondContact O-N 3.25Å; G75-L78 PolarHBondContact O-N 3.35Å; L78-L81 HydrophobicContact CD2-CD1 4.49Å; L78-K88 WeakPolarHBondContact O-CE 3.41Å; L78-K88 PolarHBondContact O-NZ 3.34Å; L78-K88 VanDerWaalsContact O-NZ 3.08Å; L78-F91 HydrophobicContact CD2-CB 4.08Å
79	E	51.8	Low	54.1	Low	158 Å²	158	70.8 Å²	70.8	74%	0.738	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-40.2	173.2	-75.2	175.9	-175.1	0	0	112.3	G75 R76 A77 L81	G75-E79 WeakPolarHBondContact O-CB 3.31Å; G75-E79 WeakPolarHBondContact O-CG 3.17Å; G75-E79 PolarHBondContact O-N 3.25Å; R76-E79 PolarHBondContact O-N 2.88Å; A77-E79 VanDerWaalsContact C-N 3.28Å; A77-E79 PolarHBondContact O-N 3.47Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 3.39Å
80	S	44	Very low	52.6	Low	93 Å²	93	70.7 Å²	70.7	65%	0.65	37%	0.37	S	S	*	.	H	α-helix	trans	-77	-15.9	-179.4	71.2	0	0	0	0	114.9	R76 A77 D82	R76-S80 WeakPolarHBondContact O-CB 3.43Å; R76-S80 PolarHBondContact O-N 2.85Å; R76-S80 PolarHBondContact O-OG 3.33Å; A77-S80 WeakPolarHBondContact CA-OG 3.5Å; A77-S80 PolarHBondContact O-N 2.91Å; A77-S80 VanDerWaalsContact O-N 3.15Å; A77-S80 PolarHBondContact O-OG 2.94Å; S80-D82 PolarHBondContact O-N 3.47Å
81	L	47.2	Very low	51.3	Low	32 Å²	32	73.4 Å²	73.4	17%	0.168	38%	0.382	C	S	.	.	S	Bend	trans	-73.1	117.2	176.6	-72.8	167.2	0	0	0	109.3	A77 L78 E79 E83 V87 K88	A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.44Å; A77-L81 PolarHBondContact O-N 3.4Å; L78-L81 HydrophobicContact CD2-CD1 4.49Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 3.39Å; L81-E83 PolarHBondContact O-N 2.69Å; L81-V87 HydrophobicContact CD1-CG1 4.14Å; L81-V87 HydrophobicContact CD2-CB 4.03Å; L81-V87 HydrophobicContact CD2-CG1 3.84Å; L81-K88 HydrophobicContact CB-CB 3.82Å; L81-K88 HydrophobicContact CB-CD 4.13Å; L81-K88 HydrophobicContact CB-CG 3.98Å; L81-K88 HydrophobicContact CD1-CB 4.14Å; L81-K88 HydrophobicContact CD1-CG 4.39Å; L81-K88 WeakPolarHBondContact O-CD 3.48Å; L81-K88 PolarHBondContact O-NZ 3.16Å
82	D	45.2	Very low	50.1	Low	106 Å²	106	78.4 Å²	78.4	57%	0.567	40%	0.398	S	S	*	.			trans	-52.5	135.6	170.2	-79.7	-35.3	0	0	0	110	S80 N84 Q85	S80-D82 PolarHBondContact O-N 3.47Å; D82-N84 PolarHBondContact O-N 3.01Å; D82-Q85 HydrophobicContact CB-CG 4.24Å; D82-Q85 PolarHBondContact O-N 3.41Å
83	E	45.7	Very low	49	Very low	167 Å²	167	76.4 Å²	76.4	78%	0.78	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.2	177.8	-65.9	-173.4	158	0	0	112.9	L81	L81-E83 PolarHBondContact O-N 2.69Å
84	N	41.5	Very low	48.2	Very low	158 Å²	158	77 Å²	77	85%	0.845	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.2	-179.7	-65.3	-39.3	0	0	0	114.1	D82	D82-N84 PolarHBondContact O-N 3.01Å
85	Q	42.4	Very low	47.6	Very low	96 Å²	96	79 Å²	79	45%	0.449	41%	0.406	S	S	.	.	S	Bend	trans	-93.9	124.2	175.2	-70.4	-155.5	14.1	0	0	111.1	D82 V87 K88	D82-Q85 HydrophobicContact CB-CG 4.24Å; D82-Q85 PolarHBondContact O-N 3.41Å; Q85-V87 PolarHBondContact O-N 3.04Å; Q85-K88 PolarHBondContact O-N 3.29Å; Q85-K88 VanDerWaalsContact O-N 3.1Å
86	P	41	Very low	46.9	Very low	79 Å²	79	81.9 Å²	81.9	51%	0.513	42%	0.416	S	S	.	.	H	α-helix	trans	-58.2	-17.2	-178.6	23.9	-33.6	0	0	0	112.9	T89 L90	P86-T89 PolarHBondContact O-N 3.28Å; P86-L90 HydrophobicContact CB-CD1 4.37Å; P86-L90 VanDerWaalsContact O-CB 3.32Å; P86-L90 WeakPolarHBondContact O-CB 3.26Å; P86-L90 WeakPolarHBondContact O-CD1 3.47Å; P86-L90 WeakPolarHBondContact O-CG 2.99Å; P86-L90 PolarHBondContact O-N 3.31Å
87	V	43.6	Very low	46.1	Very low	52 Å²	52	80.8 Å²	80.8	32%	0.315	41%	0.412	S	S	.	.	H	α-helix	trans	-59.5	-42.3	176.2	-174.5	0	0	0	0	112.1	L81 Q85 T89 L90 F91	L81-V87 HydrophobicContact CD1-CG1 4.14Å; L81-V87 HydrophobicContact CD2-CB 4.03Å; L81-V87 HydrophobicContact CD2-CG1 3.84Å; Q85-V87 PolarHBondContact O-N 3.04Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-T89 PolarHBondContact O-N 3.14Å; V87-L90 PolarHBondContact O-N 3.15Å; V87-F91 HydrophobicContact CG1-CD2 3.62Å; V87-F91 HydrophobicContact CG1-CE2 3.77Å; V87-F91 WeakPolarHBondContact O-CB 3.1Å; V87-F91 WeakPolarHBondContact O-CD2 3.3Å; V87-F91 PolarHBondContact O-N 3.03Å
88	K	42.9	Very low	45.5	Very low	39 Å²	39	86.1 Å²	86.1	17%	0.17	43%	0.429	C	S	.	.	H	α-helix	trans	-62.8	-43.2	179	-163.5	176.6	-165.7	147.8	0	111.8	L78 L81 Q85 R92	L78-K88 WeakPolarHBondContact O-CE 3.41Å; L78-K88 PolarHBondContact O-NZ 3.34Å; L78-K88 VanDerWaalsContact O-NZ 3.08Å; L81-K88 HydrophobicContact CB-CB 3.82Å; L81-K88 HydrophobicContact CB-CD 4.13Å; L81-K88 HydrophobicContact CB-CG 3.98Å; L81-K88 HydrophobicContact CD1-CB 4.14Å; L81-K88 HydrophobicContact CD1-CG 4.39Å; L81-K88 WeakPolarHBondContact O-CD 3.48Å; L81-K88 PolarHBondContact O-NZ 3.16Å; Q85-K88 PolarHBondContact O-N 3.29Å; Q85-K88 VanDerWaalsContact O-N 3.1Å; K88-R92 WeakPolarHBondContact O-CG 3.38Å; K88-R92 PolarHBondContact O-N 2.78Å
89	T	43.1	Very low	44.8	Very low	36 Å²	36	89.3 Å²	89.3	22%	0.221	45%	0.446	C	S	.	.	H	α-helix	trans	-69.5	-46.3	179.1	-52.9	0	0	0	0	110	P86 V87 F91 R92 F93 Y106	P86-T89 PolarHBondContact O-N 3.28Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-T89 PolarHBondContact O-N 3.14Å; T89-F91 PolarHBondContact O-N 3.47Å; T89-R92 PolarHBondContact O-N 3.11Å; T89-F93 HydrophobicContact CG2-CD2 3.43Å; T89-F93 VanDerWaalsContact CG2-CD2 3.43Å; T89-F93 HydrophobicContact CG2-CE2 3.5Å; T89-F93 VanDerWaalsContact CG2-CE2 3.5Å; T89-F93 WeakPolarHBondContact O-CB 3.3Å; T89-F93 VanDerWaalsContact O-CD2 3.22Å; T89-F93 WeakPolarHBondContact O-CD2 3.43Å; T89-F93 PolarHBondContact O-N 3.09Å; T89-Y106 HydrophobicContact CG2-CD1 4.48Å; T89-Y106 HydrophobicContact CG2-CE1 3.7Å; T89-Y106 HydrophobicContact CG2-CE2 4.13Å
90	L	42.5	Very low	44.3	Very low	18 Å²	18	86.5 Å²	86.5	9%	0.094	43%	0.431	C	S	.	.	H	α-helix	trans	-60.4	-41.7	176	-73	166.3	0	0	0	112.4	P86 V87 F93 A94 L103 M124 F127	P86-L90 HydrophobicContact CB-CD1 4.37Å; P86-L90 VanDerWaalsContact O-CB 3.32Å; P86-L90 WeakPolarHBondContact O-CB 3.26Å; P86-L90 WeakPolarHBondContact O-CD1 3.47Å; P86-L90 WeakPolarHBondContact O-CG 2.99Å; P86-L90 PolarHBondContact O-N 3.31Å; V87-L90 PolarHBondContact O-N 3.15Å; L90-F93 PolarHBondContact O-N 3.23Å; L90-A94 WeakPolarHBondContact O-CB 3.28Å; L90-A94 PolarHBondContact O-N 3.29Å; L90-L103 HydrophobicContact CD2-CD1 3.71Å; L90-L103 HydrophobicContact CD2-CD2 4.09Å; L90-L103 HydrophobicContact CD2-CG 4.01Å; L90-M124 HydrophobicContact CD1-CE 3.98Å; L90-M124 HydrophobicContact CD2-CE 4.4Å; L90-F127 HydrophobicContact CD1-CD1 4.32Å; L90-F127 HydrophobicContact CD1-CE1 3.85Å; L90-F127 HydrophobicContact CD1-CZ 3.94Å
91	F	47.7	Very low	44.1	Very low	71 Å²	71	86.5 Å²	86.5	31%	0.311	42%	0.423	S	S	.	.	H	α-helix	trans	-64	-43.1	175.1	-96.7	-89.9	0	0	0	112.1	L74 L78 V87 T89 F95	L74-F91 HydrophobicContact CD2-CE1 4.23Å; L78-F91 HydrophobicContact CD2-CB 4.08Å; V87-F91 HydrophobicContact CG1-CD2 3.62Å; V87-F91 HydrophobicContact CG1-CE2 3.77Å; V87-F91 WeakPolarHBondContact O-CB 3.1Å; V87-F91 WeakPolarHBondContact O-CD2 3.3Å; V87-F91 PolarHBondContact O-N 3.03Å; T89-F91 PolarHBondContact O-N 3.47Å; F91-F95 HydrophobicContact CD1-CD2 4.01Å; F91-F95 AromaticContact CD1-CE2 3.84Å; F91-F95 HydrophobicContact CD1-CE2 3.84Å; F91-F95 AromaticContact CE1-CE2 3.94Å; F91-F95 HydrophobicContact CE1-CE2 3.94Å; F91-F95 PolarHBondContact O-N 2.79Å
92	R	47.9	Very low	43.8	Very low	141 Å²	141	86.1 Å²	86.1	53%	0.532	42%	0.423	S	S	.	.	H	α-helix	trans	-63.5	-43.2	173.7	-72.3	177.8	82.9	159.9	6.9	111.6	K88 T89 I96	K88-R92 WeakPolarHBondContact O-CG 3.38Å; K88-R92 PolarHBondContact O-N 2.78Å; T89-R92 PolarHBondContact O-N 3.11Å; R92-I96 HydrophobicContact CB-CD1 4.06Å; R92-I96 HydrophobicContact CG-CD1 4.48Å; R92-I96 WeakPolarHBondContact O-CB 3.49Å; R92-I96 WeakPolarHBondContact O-CD1 3.48Å; R92-I96 WeakPolarHBondContact O-CG1 3.31Å; R92-I96 PolarHBondContact O-N 3.13Å
93	F	46.1	Very low	43.6	Very low	59 Å²	59	82.2 Å²	82.2	26%	0.259	40%	0.402	S	S	.	.	H	α-helix	trans	-77.5	-34.9	-175.6	-87.2	-85.9	0	0	0	113.8	T89 L90 L103 Y106	T89-F93 HydrophobicContact CG2-CD2 3.43Å; T89-F93 VanDerWaalsContact CG2-CD2 3.43Å; T89-F93 HydrophobicContact CG2-CE2 3.5Å; T89-F93 VanDerWaalsContact CG2-CE2 3.5Å; T89-F93 WeakPolarHBondContact O-CB 3.3Å; T89-F93 VanDerWaalsContact O-CD2 3.22Å; T89-F93 WeakPolarHBondContact O-CD2 3.43Å; T89-F93 PolarHBondContact O-N 3.09Å; L90-F93 PolarHBondContact O-N 3.23Å; F93-L103 HydrophobicContact CB-CD1 4.2Å; F93-Y106 HydrophobicContact CE1-CD2 4.26Å; F93-Y106 AromaticContact CE2-CD2 3.95Å; F93-Y106 HydrophobicContact CE2-CD2 3.95Å; F93-Y106 AromaticContact CE2-CE2 3.91Å; F93-Y106 HydrophobicContact CE2-CE2 3.91Å; F93-Y106 AromaticContact CZ-CD2 3.76Å; F93-Y106 HydrophobicContact CZ-CD2 3.76Å; F93-Y106 HydrophobicContact CZ-CE2 4.02Å
94	A	48.5	Very low	43.5	Very low	48 Å²	48	74.9 Å²	74.9	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-72.9	-36.8	-179.4	0	0	0	0	0	112.3	L90	L90-A94 WeakPolarHBondContact O-CB 3.28Å; L90-A94 PolarHBondContact O-N 3.29Å
95	F	49.8	Very low	43.5	Very low	57 Å²	57	69.8 Å²	69.8	25%	0.25	34%	0.343	C	S	.	.	H	α-helix	trans	-89.4	-36.2	-178.3	-78.5	-74.2	0	0	0	114.1	A18 F91 R97	A18-F95 HydrophobicContact CB-CD1 3.44Å; A18-F95 VanDerWaalsContact CB-CD1 3.44Å; A18-F95 HydrophobicContact CB-CE1 3.29Å; A18-F95 HydrophobicContact CB-CZ 4.37Å; F91-F95 HydrophobicContact CD1-CD2 4.01Å; F91-F95 AromaticContact CD1-CE2 3.84Å; F91-F95 HydrophobicContact CD1-CE2 3.84Å; F91-F95 AromaticContact CE1-CE2 3.94Å; F91-F95 HydrophobicContact CE1-CE2 3.94Å; F91-F95 PolarHBondContact O-N 2.79Å; F95-R97 PolarHBondContact O-N 3.07Å
96	I	48.1	Very low	43.4	Very low	81 Å²	81	69.1 Å²	69.1	42%	0.415	34%	0.338	S	S	.	.	H	α-helix	trans	-75	-23.7	-171.9	-64.8	171.7	0	0	0	113.7	R92	R92-I96 HydrophobicContact CB-CD1 4.06Å; R92-I96 HydrophobicContact CG-CD1 4.48Å; R92-I96 WeakPolarHBondContact O-CB 3.49Å; R92-I96 WeakPolarHBondContact O-CD1 3.48Å; R92-I96 WeakPolarHBondContact O-CG1 3.31Å; R92-I96 PolarHBondContact O-N 3.13Å
97	R	40.3	Very low	43.7	Very low	138 Å²	138	65.8 Å²	65.8	52%	0.521	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.4	-164.7	-85.4	-157.6	169.3	143.4	3.4	118.6	F95 N99 C102	F95-R97 PolarHBondContact O-N 3.07Å; R97-N99 VanDerWaalsContact O-CB 3.31Å; R97-N99 WeakPolarHBondContact O-CB 2.96Å; R97-N99 PolarHBondContact O-N 2.89Å; R97-C102 PolarHBondContact NH1-SG 2.93Å
98	K	42.1	Very low	43.6	Very low	146 Å²	146	65.8 Å²	65.8	64%	0.635	32%	0.318	S	S	*	.	S	Bend	trans	41.6	27.4	-176.9	-73	-162.6	178.7	-177.4	0	114.4	Q17	Q17-K98 VanDerWaalsContact CD-CE 3.47Å
99	N	38.6	Very low	43.5	Very low	100 Å²	100	71 Å²	71	54%	0.535	34%	0.343	S	S	.	.			trans	-158.2	90.3	-171.7	-87.1	-49.8	0	0	0	107.4	R97 I101 C102	R97-N99 VanDerWaalsContact O-CB 3.31Å; R97-N99 WeakPolarHBondContact O-CB 2.96Å; R97-N99 PolarHBondContact O-N 2.89Å; N99-I101 PolarHBondContact O-N 3.13Å; N99-C102 PolarHBondContact O-N 2.96Å; N99-C102 VanDerWaalsContact O-N 3.09Å
100	F	42	Very low	43.5	Very low	99 Å²	99	72.4 Å²	72.4	43%	0.434	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-13.9	171.4	-76.3	-88.4	0	0	0	113.7	C102 L103	F100-C102 PolarHBondContact O-N 3.39Å; F100-L103 PolarHBondContact O-N 3.38Å
101	I	39.5	Very low	43.5	Very low	94 Å²	94	73.5 Å²	73.5	48%	0.482	36%	0.357	S	S	.	.	H	α-helix	trans	-55.3	-30.3	172.5	-64.1	164.8	0	0	0	112.4	N99	N99-I101 PolarHBondContact O-N 3.13Å
102	C	41.8	Very low	43.3	Very low	24 Å²	24	79.7 Å²	79.7	16%	0.162	38%	0.379	C	S	.	.	H	α-helix	trans	-84.3	-21.2	-172.2	-155.8	0	0	0	0	114.4	R97 N99 F100 C104 V105 Y106	R97-C102 PolarHBondContact NH1-SG 2.93Å; N99-C102 PolarHBondContact O-N 2.96Å; N99-C102 VanDerWaalsContact O-N 3.09Å; F100-C102 PolarHBondContact O-N 3.39Å; C102-C104 VanDerWaalsContact C-N 3.26Å; C102-C104 PolarHBondContact O-N 3.16Å; C102-V105 PolarHBondContact O-N 3.08Å; C102-V105 VanDerWaalsContact O-N 3.13Å; C102-Y106 PolarHBondContact O-N 2.85Å
103	L	40.1	Very low	42.9	Very low	23 Å²	23	77.9 Å²	77.9	12%	0.12	38%	0.38	C	S	.	.	H	α-helix	trans	-64	-36.1	176.9	-143.4	79.2	0	0	0	111	L90 F93 F100 C107	L90-L103 HydrophobicContact CD2-CD1 3.71Å; L90-L103 HydrophobicContact CD2-CD2 4.09Å; L90-L103 HydrophobicContact CD2-CG 4.01Å; F93-L103 HydrophobicContact CB-CD1 4.2Å; F100-L103 PolarHBondContact O-N 3.38Å; L103-C107 WeakPolarHBondContact O-CB 3.22Å; L103-C107 PolarHBondContact O-N 3.23Å; L103-C107 PolarHBondContact O-SG 3.42Å
104	C	43.5	Very low	42.6	Very low	13 Å²	13	84.1 Å²	84.1	9%	0.088	41%	0.408	C	S	.	.	H	α-helix	trans	-66.9	-34.8	174.2	-61.8	0	0	0	0	112.8	C102 C108 F185 C189	C102-C104 VanDerWaalsContact C-N 3.26Å; C102-C104 PolarHBondContact O-N 3.16Å; C104-C108 WeakPolarHBondContact O-CB 3.39Å; C104-C108 PolarHBondContact O-N 3.05Å; C104-C108 PolarHBondContact O-SG 3.41Å; C104-C108 VanDerWaalsContact O-SG 3.33Å; C104-F185 HydrophobicContact CB-CD1 4.43Å; C104-C189 VanDerWaalsContact SG-SG 3.65Å
105	V	41.7	Very low	42.3	Very low	51 Å²	51	93 Å²	93	31%	0.309	43%	0.431	S	S	.	.	H	α-helix	trans	-69.8	-43.4	177.8	179.1	0	0	0	0	110.8	C102 C108 E109 F185	C102-V105 PolarHBondContact O-N 3.08Å; C102-V105 VanDerWaalsContact O-N 3.13Å; V105-C108 WeakPolarHBondContact O-CB 3.31Å; V105-C108 PolarHBondContact O-N 3.47Å; V105-C108 VanDerWaalsContact O-N 3.16Å; V105-E109 PolarHBondContact O-N 3.36Å; V105-F185 HydrophobicContact CG2-CE1 3.72Å; V105-F185 HydrophobicContact CG2-CZ 3.95Å
106	Y	40.7	Very low	42.2	Very low	83 Å²	83	92.7 Å²	92.7	33%	0.325	43%	0.433	S	S	.	.	H	α-helix	trans	-66.1	-41.2	176	-168.1	-97.2	0	0	0	111.6	T89 F93 C102 C108 E109 V110	T89-Y106 HydrophobicContact CG2-CD1 4.48Å; T89-Y106 HydrophobicContact CG2-CE1 3.7Å; T89-Y106 HydrophobicContact CG2-CE2 4.13Å; F93-Y106 HydrophobicContact CE1-CD2 4.26Å; F93-Y106 AromaticContact CE2-CD2 3.95Å; F93-Y106 HydrophobicContact CE2-CD2 3.95Å; F93-Y106 AromaticContact CE2-CE2 3.91Å; F93-Y106 HydrophobicContact CE2-CE2 3.91Å; F93-Y106 AromaticContact CZ-CD2 3.76Å; F93-Y106 HydrophobicContact CZ-CD2 3.76Å; F93-Y106 HydrophobicContact CZ-CE2 4.02Å; C102-Y106 PolarHBondContact O-N 2.85Å; Y106-C108 VanDerWaalsContact C-N 3.3Å; Y106-C108 PolarHBondContact O-N 3.35Å; Y106-E109 PolarHBondContact O-N 3.39Å; Y106-V110 HydrophobicContact CD1-CG2 4.11Å; Y106-V110 HydrophobicContact CE1-CG2 3.73Å; Y106-V110 WeakPolarHBondContact O-CB 3.21Å; Y106-V110 VanDerWaalsContact O-CG2 3.3Å; Y106-V110 WeakPolarHBondContact O-CG2 3.41Å; Y106-V110 PolarHBondContact O-N 3.49Å
107	C	46.2	Very low	42.1	Very low	8 Å²	8	91.5 Å²	91.5	5%	0.054	43%	0.427	C	S	.	.	H	α-helix	trans	-59.6	-41.5	170.6	-68.3	0	0	0	0	111.1	L103 V110 L111	L103-C107 WeakPolarHBondContact O-CB 3.22Å; L103-C107 PolarHBondContact O-N 3.23Å; L103-C107 PolarHBondContact O-SG 3.42Å; C107-V110 PolarHBondContact O-N 3.44Å; C107-L111 HydrophobicContact CB-CD1 4.28Å; C107-L111 WeakPolarHBondContact O-CB 3.25Å; C107-L111 VanDerWaalsContact O-CD1 3.26Å; C107-L111 WeakPolarHBondContact O-CD1 3.23Å; C107-L111 WeakPolarHBondContact O-CG 3.3Å; C107-L111 PolarHBondContact O-N 2.87Å
108	C	42.5	Very low	42.1	Very low	53 Å²	53	92.8 Å²	92.8	36%	0.358	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-40.4	177.6	-81.4	0	0	0	0	113.9	C104 V105 Y106 Y112	C104-C108 WeakPolarHBondContact O-CB 3.39Å; C104-C108 PolarHBondContact O-N 3.05Å; C104-C108 PolarHBondContact O-SG 3.41Å; C104-C108 VanDerWaalsContact O-SG 3.33Å; V105-C108 WeakPolarHBondContact O-CB 3.31Å; V105-C108 PolarHBondContact O-N 3.47Å; V105-C108 VanDerWaalsContact O-N 3.16Å; Y106-C108 VanDerWaalsContact C-N 3.3Å; Y106-C108 PolarHBondContact O-N 3.35Å; C108-Y112 WeakPolarHBondContact O-CD2 3.37Å; C108-Y112 PolarHBondContact O-N 2.88Å
109	E	40	Very low	42.2	Very low	148 Å²	148	93.3 Å²	93.3	69%	0.692	44%	0.438	S	S	*	.	H	α-helix	trans	-68.3	-38.6	176.5	-81.9	-175.9	150.5	0	0	112.1	V105 Y106 Y112	V105-E109 PolarHBondContact O-N 3.36Å; Y106-E109 PolarHBondContact O-N 3.39Å; E109-Y112 PolarHBondContact O-N 2.81Å
110	V	42.7	Very low	42.4	Very low	65 Å²	65	91.1 Å²	91.1	39%	0.394	43%	0.426	S	S	.	.	H	α-helix	trans	-73.3	-32.7	176.9	176.4	0	0	0	0	112.1	Y106 C107 Y112	Y106-V110 HydrophobicContact CD1-CG2 4.11Å; Y106-V110 HydrophobicContact CE1-CG2 3.73Å; Y106-V110 WeakPolarHBondContact O-CB 3.21Å; Y106-V110 VanDerWaalsContact O-CG2 3.3Å; Y106-V110 WeakPolarHBondContact O-CG2 3.41Å; Y106-V110 PolarHBondContact O-N 3.49Å; C107-V110 PolarHBondContact O-N 3.44Å; V110-Y112 VanDerWaalsContact C-N 3.3Å; V110-Y112 PolarHBondContact O-N 3.39Å
111	L	43.3	Very low	42.7	Very low	42 Å²	42	88.1 Å²	88.1	22%	0.22	41%	0.414	C	S	.	.	H	α-helix	trans	-77.5	-10.8	177.3	-71.7	168.1	0	0	0	113.6	C107 D113 I117 L121	C107-L111 HydrophobicContact CB-CD1 4.28Å; C107-L111 WeakPolarHBondContact O-CB 3.25Å; C107-L111 VanDerWaalsContact O-CD1 3.26Å; C107-L111 WeakPolarHBondContact O-CD1 3.23Å; C107-L111 WeakPolarHBondContact O-CG 3.3Å; C107-L111 PolarHBondContact O-N 2.87Å; L111-D113 VanDerWaalsContact C-N 3.26Å; L111-D113 PolarHBondContact O-N 3.24Å; L111-I117 WeakPolarHBondContact O-CG1 3.49Å; L111-L121 HydrophobicContact CD2-CD1 3.93Å; L111-L121 HydrophobicContact CD2-CG 3.96Å
112	Y	42.9	Very low	43.1	Very low	200 Å²	200	89.7 Å²	89.7	78%	0.784	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.7	179	-116.4	-94.5	0	0	0	113.8	C108 E109 V110 K114	C108-Y112 WeakPolarHBondContact O-CD2 3.37Å; C108-Y112 PolarHBondContact O-N 2.88Å; E109-Y112 PolarHBondContact O-N 2.81Å; V110-Y112 VanDerWaalsContact C-N 3.3Å; V110-Y112 PolarHBondContact O-N 3.39Å; Y112-K114 PolarHBondContact O-N 2.83Å
113	D	39.2	Very low	43.3	Very low	104 Å²	104	91.8 Å²	91.8	56%	0.556	44%	0.438	S	S	*	.	S	Bend	trans	-79.9	109.1	168.2	-164	-1.9	0	0	0	110.5	L111 R115 T116	L111-D113 VanDerWaalsContact C-N 3.26Å; L111-D113 PolarHBondContact O-N 3.24Å; D113-R115 PolarHBondContact O-N 3.44Å; D113-T116 PolarHBondContact O-N 3.46Å
114	K	41.3	Very low	43.8	Very low	190 Å²	190	92.1 Å²	92.1	83%	0.826	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-2.8	-166.2	-72.9	-176.3	174.8	-179.4	0	115.6	Y112	Y112-K114 PolarHBondContact O-N 2.83Å
115	R	42.1	Very low	44.1	Very low	235 Å²	235	93.8 Å²	93.8	89%	0.887	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-12.3	-171.2	-70.1	-176.1	-175	-172.1	2.3	115.5	D113	D113-R115 PolarHBondContact O-N 3.44Å
116	T	47.1	Very low	44.3	Very low	49 Å²	49	94.3 Å²	94.3	30%	0.301	45%	0.451	S	S	.	.	S	Bend	trans	-125.6	6.1	-169.4	-14.8	0	0	0	0	113.6	D113 Y118 Q119 N120	D113-T116 PolarHBondContact O-N 3.46Å; T116-Y118 PolarHBondContact O-N 3.16Å; T116-Q119 PolarHBondContact O-N 2.9Å; T116-N120 WeakPolarHBondContact CB-ND2 3.46Å; T116-N120 WeakPolarHBondContact O-CB 3.41Å; T116-N120 PolarHBondContact O-N 3.21Å; T116-N120 VanDerWaalsContact O-N 3.12Å; T116-N120 PolarHBondContact O-ND2 3.18Å
117	I	45.6	Very low	44.8	Very low	57 Å²	57	93.8 Å²	93.8	29%	0.292	45%	0.451	S	S	.	.	H	α-helix	trans	-52.5	-52	-174	-67.7	177.3	0	0	0	111.2	L111 L121	L111-I117 WeakPolarHBondContact O-CG1 3.49Å; I117-L121 HydrophobicContact CB-CD1 4.32Å; I117-L121 HydrophobicContact CG2-CD1 3.23Å; I117-L121 WeakPolarHBondContact O-CB 3.22Å; I117-L121 WeakPolarHBondContact O-CD1 3.38Å; I117-L121 PolarHBondContact O-N 3.28Å
118	Y	41.9	Very low	45	Very low	165 Å²	165	95 Å²	95	65%	0.647	46%	0.456	S	S	*	.	H	α-helix	trans	-70	-38.5	-172.9	-76.1	-83.1	0	0	0	114.9	T116 L122	T116-Y118 PolarHBondContact O-N 3.16Å; Y118-L122 PolarHBondContact O-N 3.18Å
119	Q	42.4	Very low	45.1	Very low	156 Å²	156	94.3 Å²	94.3	73%	0.729	45%	0.451	S	S	*	.	H	α-helix	trans	-74.9	-36.5	-179.5	-73.3	178.3	-23.1	0	0	111.7	T116	T116-Q119 PolarHBondContact O-N 2.9Å
120	N	43.6	Very low	45.5	Very low	55 Å²	55	88.3 Å²	88.3	29%	0.294	42%	0.423	S	S	.	.	H	α-helix	trans	-79.1	-30.9	177.5	-67.5	-18.4	0	0	0	112.2	T116 S123 M124	T116-N120 WeakPolarHBondContact CB-ND2 3.46Å; T116-N120 WeakPolarHBondContact O-CB 3.41Å; T116-N120 PolarHBondContact O-N 3.21Å; T116-N120 VanDerWaalsContact O-N 3.12Å; T116-N120 PolarHBondContact O-ND2 3.18Å; N120-S123 PolarHBondContact O-N 3.47Å; N120-S123 PolarHBondContact O-OG 3.46Å; N120-M124 WeakPolarHBondContact O-CB 3.37Å; N120-M124 WeakPolarHBondContact O-CG 3.06Å; N120-M124 PolarHBondContact O-N 2.99Å
121	L	47.7	Very low	45.8	Very low	35 Å²	35	85.4 Å²	85.4	18%	0.183	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-44	176.8	-101.3	135.3	0	0	0	111.7	L111 I117 S123 M124 M125 F192	L111-L121 HydrophobicContact CD2-CD1 3.93Å; L111-L121 HydrophobicContact CD2-CG 3.96Å; I117-L121 HydrophobicContact CB-CD1 4.32Å; I117-L121 HydrophobicContact CG2-CD1 3.23Å; I117-L121 WeakPolarHBondContact O-CB 3.22Å; I117-L121 WeakPolarHBondContact O-CD1 3.38Å; I117-L121 PolarHBondContact O-N 3.28Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 2.95Å; L121-M124 CarbonylContact O-C 3.46Å; L121-M124 PolarHBondContact O-N 3.48Å; L121-M125 WeakPolarHBondContact O-CG 3.09Å; L121-M125 PolarHBondContact O-N 2.84Å; L121-F192 HydrophobicContact CD2-CD1 4.14Å; L121-F192 HydrophobicContact CD2-CE1 4.14Å
122	L	48.9	Very low	46.1	Very low	128 Å²	128	84 Å²	84	67%	0.67	40%	0.4	S	S	*	.	H	α-helix	trans	-63.7	-39.4	-178.7	-160.7	73.6	0	0	0	112	Y118 M125	Y118-L122 PolarHBondContact O-N 3.18Å; L122-M125 HydrophobicContact CD1-SD 3.86Å
123	S	46.4	Very low	46.2	Very low	67 Å²	67	80.1 Å²	80.1	47%	0.469	39%	0.392	S	S	.	.	H	α-helix	trans	-74.6	-25.8	175.7	62.4	0	0	0	0	113	N120 L121 F127	N120-S123 PolarHBondContact O-N 3.47Å; N120-S123 PolarHBondContact O-OG 3.46Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-S123 PolarHBondContact O-N 2.95Å; S123-F127 WeakPolarHBondContact O-CD2 3.17Å; S123-F127 VanDerWaalsContact O-CE2 3.31Å; S123-F127 WeakPolarHBondContact O-CE2 3.32Å
124	M	51	Low	46.4	Very low	31 Å²	31	78.4 Å²	78.4	15%	0.153	38%	0.379	C	S	.	.	H	α-helix	trans	-86.2	-8.9	177.2	-64.3	-108.4	103.3	0	0	113.4	L90 N120 L121 F127 M128	L90-M124 HydrophobicContact CD1-CE 3.98Å; L90-M124 HydrophobicContact CD2-CE 4.4Å; N120-M124 WeakPolarHBondContact O-CB 3.37Å; N120-M124 WeakPolarHBondContact O-CG 3.06Å; N120-M124 PolarHBondContact O-N 2.99Å; L121-M124 CarbonylContact O-C 3.46Å; L121-M124 PolarHBondContact O-N 3.48Å; M124-F127 HydrophobicContact CE-CD2 4.39Å; M124-F127 WeakPolarHBondContact O-CB 2.98Å; M124-F127 PolarHBondContact O-N 3.35Å; M124-F127 VanDerWaalsContact O-N 3.15Å; M124-M128 PolarHBondContact O-N 3.46Å; M124-M128 VanDerWaalsContact O-N 3.14Å
125	M	49.9	Very low	46.7	Very low	47 Å²	47	71.6 Å²	71.6	23%	0.232	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-41.4	-175.3	-60.2	-162.4	141.3	0	0	115.4	L121 L122 F127 M128 C129 Y196	L121-M125 WeakPolarHBondContact O-CG 3.09Å; L121-M125 PolarHBondContact O-N 2.84Å; L122-M125 HydrophobicContact CD1-SD 3.86Å; M125-F127 PolarHBondContact O-N 3.48Å; M125-M128 PolarHBondContact O-N 3.47Å; M125-C129 PolarHBondContact O-N 2.83Å; M125-C129 VanDerWaalsContact O-N 3.16Å; M125-Y196 HydrophobicContact CB-CD2 4.43Å; M125-Y196 HydrophobicContact CB-CE2 4.27Å; M125-Y196 HydrophobicContact CE-CD2 4.04Å; M125-Y196 HydrophobicContact CG-CD2 4.42Å; M125-Y196 HydrophobicContact SD-CD2 3.37Å; M125-Y196 WeakPolarHBondContact SD-CD2 3.26Å; M125-Y196 HydrophobicContact SD-CE2 3.61Å
126	P	45.5	Very low	46.8	Very low	63 Å²	63	62.1 Å²	62.1	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-39.3	175.9	-20.3	31.3	0	0	0	111.2	C129 I130	P126-C129 PolarHBondContact O-N 2.78Å; P126-I130 WeakPolarHBondContact O-CD1 3.46Å; P126-I130 VanDerWaalsContact O-CG1 3.26Å; P126-I130 WeakPolarHBondContact O-CG1 3.49Å; P126-I130 PolarHBondContact O-N 2.87Å
127	F	50.3	Low	46.6	Very low	72 Å²	72	67.1 Å²	67.1	32%	0.316	35%	0.348	S	S	.	.	H	α-helix	trans	-68	-38.2	-178.6	-54.9	-85.1	0	0	0	112.3	L90 S123 M124 M125 I130 C131	L90-F127 HydrophobicContact CD1-CD1 4.32Å; L90-F127 HydrophobicContact CD1-CE1 3.85Å; L90-F127 HydrophobicContact CD1-CZ 3.94Å; S123-F127 WeakPolarHBondContact O-CD2 3.17Å; S123-F127 VanDerWaalsContact O-CE2 3.31Å; S123-F127 WeakPolarHBondContact O-CE2 3.32Å; M124-F127 HydrophobicContact CE-CD2 4.39Å; M124-F127 WeakPolarHBondContact O-CB 2.98Å; M124-F127 PolarHBondContact O-N 3.35Å; M124-F127 VanDerWaalsContact O-N 3.15Å; M125-F127 PolarHBondContact O-N 3.48Å; F127-I130 PolarHBondContact O-N 3.12Å; F127-C131 WeakPolarHBondContact O-CB 3.48Å; F127-C131 PolarHBondContact O-N 3.16Å; F127-C131 PolarHBondContact O-SG 2.86Å; F127-C131 VanDerWaalsContact O-SG 3.4Å
128	M	50.9	Low	46.7	Very low	33 Å²	33	66.3 Å²	66.3	16%	0.163	35%	0.348	C	S	.	.	H	α-helix	trans	-67	-36.5	174.7	-69.1	-66.5	-72.4	0	0	112.4	M124 M125 T132 C189 F192	M124-M128 PolarHBondContact O-N 3.46Å; M124-M128 VanDerWaalsContact O-N 3.14Å; M125-M128 PolarHBondContact O-N 3.47Å; M128-T132 WeakPolarHBondContact O-CB 3.49Å; M128-T132 PolarHBondContact O-N 3.49Å; M128-T132 PolarHBondContact O-OG1 3.43Å; M128-C189 HydrophobicContact CE-CB 4.48Å; M128-F192 HydrophobicContact CE-CB 4.31Å; M128-F192 HydrophobicContact CE-CD2 4.44Å
129	C	45.1	Very low	46.8	Very low	38 Å²	38	63.8 Å²	63.8	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-41.6	174.2	-74.3	0	0	0	0	112	M125 P126 T132 L133	M125-C129 PolarHBondContact O-N 2.83Å; M125-C129 VanDerWaalsContact O-N 3.16Å; P126-C129 PolarHBondContact O-N 2.78Å; C129-T132 PolarHBondContact O-N 3.08Å; C129-L133 PolarHBondContact O-N 3.49Å
130	I	48.1	Very low	46.8	Very low	22 Å²	22	63.7 Å²	63.7	11%	0.113	35%	0.354	C	S	.	.	H	α-helix	trans	-64.7	-47.4	175.8	-64.9	158	0	0	0	110.5	L42 P126 F127 T132 L133 F134	L42-I130 WeakPolarHBondContact O-CD1 3.27Å; P126-I130 WeakPolarHBondContact O-CD1 3.46Å; P126-I130 VanDerWaalsContact O-CG1 3.26Å; P126-I130 WeakPolarHBondContact O-CG1 3.49Å; P126-I130 PolarHBondContact O-N 2.87Å; F127-I130 PolarHBondContact O-N 3.12Å; I130-T132 PolarHBondContact O-N 3.31Å; I130-L133 PolarHBondContact O-N 3.16Å; I130-F134 HydrophobicContact CG2-CD2 3.72Å; I130-F134 HydrophobicContact CG2-CE2 3.83Å; I130-F134 WeakPolarHBondContact O-CD2 3.34Å; I130-F134 PolarHBondContact O-N 3.07Å
131	C	49	Very low	46.9	Very low	5 Å²	5	63.8 Å²	63.8	3%	0.034	35%	0.352	C	S	.	.	H	α-helix	trans	-56.4	-37.5	174.2	-75.9	0	0	0	0	111.9	F127 C135	F127-C131 WeakPolarHBondContact O-CB 3.48Å; F127-C131 PolarHBondContact O-N 3.16Å; F127-C131 PolarHBondContact O-SG 2.86Å; F127-C131 VanDerWaalsContact O-SG 3.4Å; C131-C135 VanDerWaalsContact O-CB 3.29Å; C131-C135 WeakPolarHBondContact O-CB 3.4Å; C131-C135 PolarHBondContact O-N 3.45Å; C131-C135 PolarHBondContact O-SG 3.02Å
132	T	49.7	Very low	46.5	Very low	13 Å²	13	64.7 Å²	64.7	8%	0.08	36%	0.364	C	S	.	.	H	α-helix	trans	-70.4	-45.4	177.8	-54.3	0	0	0	0	111.5	M128 C129 I130 F134 C135 T136 T193	M128-T132 WeakPolarHBondContact O-CB 3.49Å; M128-T132 PolarHBondContact O-N 3.49Å; M128-T132 PolarHBondContact O-OG1 3.43Å; C129-T132 PolarHBondContact O-N 3.08Å; I130-T132 PolarHBondContact O-N 3.31Å; T132-F134 PolarHBondContact O-N 3.44Å; T132-C135 PolarHBondContact O-N 2.82Å; T132-T136 HydrophobicContact CG2-CG2 4.33Å; T132-T136 WeakPolarHBondContact O-CB 3.49Å; T132-T136 WeakPolarHBondContact O-CG2 3.2Å; T132-T136 PolarHBondContact O-N 3.22Å; T132-T136 PolarHBondContact O-OG1 2.87Å; T132-T193 PolarHBondContact OG1-OG1 2.94Å
133	L	43.6	Very low	46.1	Very low	118 Å²	118	66.7 Å²	66.7	62%	0.618	36%	0.364	S	S	*	.	H	α-helix	trans	-57.3	-47.2	176.3	-81.3	161.2	0	0	0	111.9	C129 I130 T136 N137	C129-L133 PolarHBondContact O-N 3.49Å; I130-L133 PolarHBondContact O-N 3.16Å; L133-T136 WeakPolarHBondContact CA-OG1 3.15Å; L133-T136 PolarHBondContact O-N 3.44Å; L133-T136 PolarHBondContact O-OG1 3.13Å; L133-N137 PolarHBondContact O-N 3.39Å
134	F	43.4	Very low	46.1	Very low	68 Å²	68	65.9 Å²	65.9	30%	0.298	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-39.7	177.8	-83.8	-83.2	0	0	0	113	T41 I130 T132 T136 N137	T41-F134 HydrophobicContact CG2-CE2 3.77Å; T41-F134 HydrophobicContact CG2-CZ 3.47Å; T41-F134 VanDerWaalsContact CG2-CZ 3.47Å; I130-F134 HydrophobicContact CG2-CD2 3.72Å; I130-F134 HydrophobicContact CG2-CE2 3.83Å; I130-F134 WeakPolarHBondContact O-CD2 3.34Å; I130-F134 PolarHBondContact O-N 3.07Å; T132-F134 PolarHBondContact O-N 3.44Å; F134-T136 VanDerWaalsContact C-N 3.27Å; F134-T136 PolarHBondContact O-N 3.06Å; F134-N137 PolarHBondContact O-N 2.89Å
135	C	47.7	Very low	45.6	Very low	47 Å²	47	69 Å²	69	32%	0.318	36%	0.363	S	S	.	.	H	α-helix	trans	-64.6	-31.4	174.1	-70.4	0	0	0	0	112.4	C131 T132 N137 S138	C131-C135 VanDerWaalsContact O-CB 3.29Å; C131-C135 WeakPolarHBondContact O-CB 3.4Å; C131-C135 PolarHBondContact O-N 3.45Å; C131-C135 PolarHBondContact O-SG 3.02Å; T132-C135 PolarHBondContact O-N 2.82Å; C135-N137 VanDerWaalsContact C-N 3.32Å; C135-N137 PolarHBondContact O-N 3.2Å; C135-S138 PolarHBondContact O-N 3.32Å
136	T	45.1	Very low	45.3	Very low	36 Å²	36	75.8 Å²	75.8	22%	0.221	39%	0.391	C	S	.	.	H	α-helix	trans	-74.3	-15.4	-179.9	56.4	0	0	0	0	114.9	T132 L133 F134 S138 R145	T132-T136 HydrophobicContact CG2-CG2 4.33Å; T132-T136 WeakPolarHBondContact O-CB 3.49Å; T132-T136 WeakPolarHBondContact O-CG2 3.2Å; T132-T136 PolarHBondContact O-N 3.22Å; T132-T136 PolarHBondContact O-OG1 2.87Å; L133-T136 WeakPolarHBondContact CA-OG1 3.15Å; L133-T136 PolarHBondContact O-N 3.44Å; L133-T136 PolarHBondContact O-OG1 3.13Å; F134-T136 VanDerWaalsContact C-N 3.27Å; F134-T136 PolarHBondContact O-N 3.06Å; T136-S138 VanDerWaalsContact C-N 3.34Å; T136-R145 PolarHBondContact O-NH2 3.05Å
137	N	42	Very low	45.2	Very low	154 Å²	154	78.4 Å²	78.4	82%	0.824	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.5	175.6	-110.1	-11.3	0	0	0	113.7	L133 F134 C135	L133-N137 PolarHBondContact O-N 3.39Å; F134-N137 PolarHBondContact O-N 2.89Å; C135-N137 VanDerWaalsContact C-N 3.32Å; C135-N137 PolarHBondContact O-N 3.2Å
138	S	47.5	Very low	45.1	Very low	39 Å²	39	75.6 Å²	75.6	27%	0.273	38%	0.381	S	S	.	.	S	Bend	trans	-79.3	127.6	170.1	159.9	0	0	0	0	111.1	C135 T136 Q140 F141	C135-S138 PolarHBondContact O-N 3.32Å; T136-S138 VanDerWaalsContact C-N 3.34Å; S138-Q140 PolarHBondContact O-N 2.81Å; S138-Q140 VanDerWaalsContact O-N 3.13Å; S138-Q140 PolarHBondContact OG-N 3.34Å; S138-F141 PolarHBondContact O-N 3.49Å; S138-F141 VanDerWaalsContact O-N 3.1Å
139	S	44.3	Very low	44.7	Very low	113 Å²	113	77.7 Å²	77.7	79%	0.79	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-58.8	-22.4	176.9	54.5	0	0	0	0	113.3	F141	S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 2.79Å
140	Q	42.2	Very low	44.5	Very low	154 Å²	154	78.4 Å²	78.4	72%	0.72	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-69.1	-21.8	177.5	-66.2	-179.1	-14.2	0	0	113.2	S138	S138-Q140 PolarHBondContact O-N 2.81Å; S138-Q140 VanDerWaalsContact O-N 3.13Å; S138-Q140 PolarHBondContact OG-N 3.34Å
141	F	45.9	Very low	44.3	Very low	56 Å²	56	79.2 Å²	79.2	25%	0.246	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-98.4	-3.9	-174	-74.5	-81.5	0	0	0	114.7	S138 S139 Y143 H144 R145 A186	S138-F141 PolarHBondContact O-N 3.49Å; S138-F141 VanDerWaalsContact O-N 3.1Å; S139-F141 VanDerWaalsContact C-N 3.27Å; S139-F141 PolarHBondContact O-N 2.79Å; F141-Y143 PolarHBondContact O-N 3.36Å; F141-H144 PolarHBondContact O-N 2.84Å; F141-R145 PolarHBondContact O-N 2.85Å; F141-R145 VanDerWaalsContact O-N 3.11Å; F141-A186 HydrophobicContact CD1-CB 4.16Å; F141-A186 HydrophobicContact CE1-CB 3.57Å; F141-A186 HydrophobicContact CZ-CB 4.44Å
142	A	40.7	Very low	44.2	Very low	54 Å²	54	79.2 Å²	79.2	45%	0.446	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-38.9	-178.3	0	0	0	0	0	113.3	R145	A142-R145 WeakPolarHBondContact O-CB 3.05Å
143	Y	40.8	Very low	43.9	Very low	171 Å²	171	86.2 Å²	86.2	67%	0.671	44%	0.436	S	S	*	.	H	α-helix	trans	-69.6	-40	179.4	-176.1	-102.5	0	0	0	112.6	F141	F141-Y143 PolarHBondContact O-N 3.36Å
144	H	44.9	Very low	43.8	Very low	50 Å²	50	83.9 Å²	83.9	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-75.1	-26.1	-179.3	-69	-68.3	0	0	0	112.8	F141 K146 R147 V148 F179	F141-H144 PolarHBondContact O-N 2.84Å; H144-K146 PolarHBondContact O-N 3.35Å; H144-R147 PolarHBondContact O-N 3.15Å; H144-V148 HydrophobicContact CB-CG2 4.45Å; H144-V148 WeakPolarHBondContact O-CB 3.26Å; H144-V148 VanDerWaalsContact O-CG2 3.24Å; H144-V148 WeakPolarHBondContact O-CG2 3.21Å; H144-V148 PolarHBondContact O-N 2.81Å; H144-F179 AromaticContact CE1-CE2 3.96Å; H144-F179 AromaticContact ND1-CE2 3.74Å
145	R	41.7	Very low	43.9	Very low	97 Å²	97	81.6 Å²	81.6	37%	0.366	43%	0.431	S	S	.	.	H	α-helix	trans	-49.4	-56.1	178.6	-148	176.4	-56	-170.8	0.9	112.2	T136 F141 A142 R147 V148 Y149	T136-R145 PolarHBondContact O-NH2 3.05Å; F141-R145 PolarHBondContact O-N 2.85Å; F141-R145 VanDerWaalsContact O-N 3.11Å; A142-R145 WeakPolarHBondContact O-CB 3.05Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 2.83Å; R145-V148 PolarHBondContact O-N 3.11Å; R145-Y149 HydrophobicContact CG-CD2 3.74Å; R145-Y149 HydrophobicContact CG-CE2 3.62Å; R145-Y149 WeakPolarHBondContact O-CB 3.35Å; R145-Y149 VanDerWaalsContact O-CD2 3.23Å; R145-Y149 WeakPolarHBondContact O-CD2 3.45Å; R145-Y149 PolarHBondContact O-N 3.35Å
146	K	42.9	Very low	43.6	Very low	189 Å²	189	87.3 Å²	87.3	82%	0.822	45%	0.453	S	S	*	.	H	α-helix	trans	-63.6	-35.9	-175.1	-73.3	-174.8	176.6	-179.3	0	113.5	H144 G150	H144-K146 PolarHBondContact O-N 3.35Å; K146-G150 PolarHBondContact O-N 2.86Å
147	R	44.2	Very low	43.5	Very low	118 Å²	118	87.1 Å²	87.1	45%	0.445	45%	0.452	S	S	.	.	H	α-helix	trans	-79.4	-41.3	-179.1	-67.2	-175.1	99.2	-168.4	3.5	111.9	H144 R145 G150 I151 D175	H144-R147 PolarHBondContact O-N 3.15Å; R145-R147 VanDerWaalsContact C-N 3.34Å; R145-R147 PolarHBondContact O-N 2.83Å; R147-G150 PolarHBondContact O-N 2.82Å; R147-I151 VanDerWaalsContact O-CG1 3.27Å; R147-I151 WeakPolarHBondContact O-CG1 3.13Å; R147-I151 PolarHBondContact O-N 3.26Å; R147-I151 VanDerWaalsContact O-N 3.14Å; R147-D175 PolarHBondContact NH1-O 3.38Å
148	V	47	Very low	43.5	Very low	12 Å²	12	84.8 Å²	84.8	7%	0.073	44%	0.439	C	S	.	.	H	α-helix	trans	-69.2	-44.8	-178.9	178.4	0	0	0	0	111.1	H144 R145 G150 I151 S152 Y168 V187 C190	H144-V148 HydrophobicContact CB-CG2 4.45Å; H144-V148 WeakPolarHBondContact O-CB 3.26Å; H144-V148 VanDerWaalsContact O-CG2 3.24Å; H144-V148 WeakPolarHBondContact O-CG2 3.21Å; H144-V148 PolarHBondContact O-N 2.81Å; R145-V148 PolarHBondContact O-N 3.11Å; V148-G150 VanDerWaalsContact C-N 3.3Å; V148-G150 PolarHBondContact O-N 2.96Å; V148-I151 PolarHBondContact O-N 3.49Å; V148-S152 WeakPolarHBondContact O-CB 3.39Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-Y168 WeakPolarHBondContact CG1-OH 3.36Å; V148-V187 HydrophobicContact CG2-CG2 4.49Å; V148-C190 HydrophobicContact CG1-CB 3.37Å
149	Y	42.5	Very low	43.4	Very low	77 Å²	77	90.5 Å²	90.5	30%	0.302	46%	0.462	S	S	.	.	H	α-helix	trans	-61.4	-38.1	173.4	-82.9	-78.3	0	0	0	112	R145 I151 S152 F153	R145-Y149 HydrophobicContact CG-CD2 3.74Å; R145-Y149 HydrophobicContact CG-CE2 3.62Å; R145-Y149 WeakPolarHBondContact O-CB 3.35Å; R145-Y149 VanDerWaalsContact O-CD2 3.23Å; R145-Y149 WeakPolarHBondContact O-CD2 3.45Å; R145-Y149 PolarHBondContact O-N 3.35Å; Y149-I151 PolarHBondContact O-N 3.43Å; Y149-S152 PolarHBondContact O-N 2.81Å; Y149-F153 HydrophobicContact CD1-CE2 4.44Å; Y149-F153 WeakPolarHBondContact O-CD2 3.33Å; Y149-F153 PolarHBondContact O-N 2.89Å; Y149-F153 VanDerWaalsContact O-N 3.13Å
150	G	41.5	Very low	43.5	Very low	53 Å²	53	90.9 Å²	90.9	55%	0.546	46%	0.455	S	S	.	.	H	α-helix	trans	-63.7	-36	177.3	0	0	0	0	0	114.2	K146 R147 V148	K146-G150 PolarHBondContact O-N 2.86Å; R147-G150 PolarHBondContact O-N 2.82Å; V148-G150 VanDerWaalsContact C-N 3.3Å; V148-G150 PolarHBondContact O-N 2.96Å
151	I	44.8	Very low	44.1	Very low	39 Å²	39	85.5 Å²	85.5	20%	0.2	43%	0.431	C	S	.	.	H	α-helix	trans	-77.6	-35.1	177.9	-58.3	163	0	0	0	110.6	R147 V148 Y149 Y168 I172	R147-I151 VanDerWaalsContact O-CG1 3.27Å; R147-I151 WeakPolarHBondContact O-CG1 3.13Å; R147-I151 PolarHBondContact O-N 3.26Å; R147-I151 VanDerWaalsContact O-N 3.14Å; V148-I151 PolarHBondContact O-N 3.49Å; Y149-I151 PolarHBondContact O-N 3.43Å; I151-Y168 HydrophobicContact CB-CE2 3.95Å; I151-Y168 HydrophobicContact CG2-CD2 3.59Å; I151-Y168 HydrophobicContact CG2-CE2 3.42Å; I151-Y168 VanDerWaalsContact CG2-CE2 3.42Å; I151-I172 HydrophobicContact CD1-CG1 4.19Å
152	S	46.2	Very low	44.2	Very low	6 Å²	6	87.9 Å²	87.9	4%	0.042	45%	0.45	C	S	.	.	H	α-helix	trans	-63.8	-38.8	176.6	-88.5	0	0	0	0	114	V148 Y149 G154 S194	V148-S152 WeakPolarHBondContact O-CB 3.39Å; V148-S152 PolarHBondContact O-N 3.3Å; Y149-S152 PolarHBondContact O-N 2.81Å; S152-G154 PolarHBondContact O-N 3.33Å; S152-S194 VanDerWaalsContact CB-CB 3.49Å; S152-S194 WeakPolarHBondContact CB-OG 3.35Å; S152-S194 PolarHBondContact OG-OG 3.45Å
153	F	43	Very low	44.6	Very low	159 Å²	159	90.5 Å²	90.5	70%	0.697	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.8	-177	-96.2	-83.9	0	0	0	114.6	Y149	Y149-F153 HydrophobicContact CD1-CE2 4.44Å; Y149-F153 WeakPolarHBondContact O-CD2 3.33Å; Y149-F153 PolarHBondContact O-N 2.89Å; Y149-F153 VanDerWaalsContact O-N 3.13Å
154	G	41.8	Very low	45.2	Very low	69 Å²	69	84.3 Å²	84.3	71%	0.711	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	1.2	-180	0	0	0	0	0	115.6	S152	S152-G154 PolarHBondContact O-N 3.33Å
155	L	46.1	Very low	45.6	Very low	21 Å²	21	84.5 Å²	84.5	11%	0.11	43%	0.434	C	S	.	.			trans	-107.1	109.5	-174.2	-76.1	159.5	0	0	0	110.9	V157 Y168 Y191	L155-V157 PolarHBondContact O-N 3.09Å; L155-Y168 HydrophobicContact CD1-CD2 3.77Å; L155-Y168 HydrophobicContact CD1-CG 4.32Å; L155-Y191 HydrophobicContact CD1-CE2 4.13Å
156	Q	41.7	Very low	46.3	Very low	167 Å²	167	83.1 Å²	83.1	78%	0.78	43%	0.433	S	S	*	.			trans	-67.8	112.8	167	-77.9	-177.7	-30	0	0	109.6	N158 Q164	Q156-N158 PolarHBondContact O-N 2.85Å; Q156-Q164 PolarHBondContact O-NE2 3.38Å; Q156-Q164 PolarHBondContact O-OE1 2.82Å
157	V	42.9	Very low	47.2	Very low	32 Å²	32	77 Å²	77	19%	0.194	41%	0.409	C	S	.	.			trans	-71.7	119.4	179.2	-175.2	0	0	0	0	109.5	L155 N161 V195 H198 M199	L155-V157 PolarHBondContact O-N 3.09Å; V157-N161 WeakPolarHBondContact CG1-OD1 3.45Å; V157-V195 HydrophobicContact CG1-CG1 3.82Å; V157-V195 HydrophobicContact CG1-CG2 4.42Å; V157-V195 HydrophobicContact CG2-CB 4.22Å; V157-V195 HydrophobicContact CG2-CG1 4.16Å; V157-V195 HydrophobicContact CG2-CG2 3.78Å; V157-H198 HydrophobicContact CG2-CB 4.41Å; V157-M199 HydrophobicContact CG1-CE 4.15Å; V157-M199 HydrophobicContact CG1-SD 4.5Å
158	N	41.8	Very low	47.9	Very low	104 Å²	104	71.4 Å²	71.4	56%	0.556	39%	0.388	S	S	*	.			trans	-130.8	157	171.2	-167.9	-9.5	0	0	0	108.4	Q156 N160 N161	Q156-N158 PolarHBondContact O-N 2.85Å; N158-N160 PolarHBondContact O-N 3.44Å; N158-N161 PolarHBondContact O-N 2.92Å; N158-N161 PolarHBondContact O-ND2 3.22Å; N158-N161 PolarHBondContact O-OD1 2.83Å
159	Q	43.6	Very low	48.3	Very low	160 Å²	160	76.5 Å²	76.5	75%	0.748	41%	0.406	S	S	*	.	S	Bend	trans	-53.7	-8	-171.6	-69.3	-179.2	-10	0	0	115.7	N161	Q159-N161 VanDerWaalsContact C-N 3.33Å; Q159-N161 PolarHBondContact O-N 3.4Å
160	N	46.4	Very low	49.2	Very low	121 Å²	121	79.6 Å²	79.6	65%	0.647	42%	0.417	S	S	*	.			trans	-91.8	42.4	173.8	-64.2	-19.4	0	0	0	113.5	N158 V162	N158-N160 PolarHBondContact O-N 3.44Å; N160-V162 PolarHBondContact O-N 3.05Å
161	N	55.1	Low	50.2	Low	40 Å²	40	82.5 Å²	82.5	21%	0.214	41%	0.412	C	S	.	.	H	α-helix	trans	-67	-6.8	-167.2	-80.3	-34.6	0	0	0	116.9	V157 N158 Q159 Q164 F165	V157-N161 WeakPolarHBondContact CG1-OD1 3.45Å; N158-N161 PolarHBondContact O-N 2.92Å; N158-N161 PolarHBondContact O-ND2 3.22Å; N158-N161 PolarHBondContact O-OD1 2.83Å; Q159-N161 VanDerWaalsContact C-N 3.33Å; Q159-N161 PolarHBondContact O-N 3.4Å; N161-Q164 PolarHBondContact OD1-OE1 2.99Å; N161-F165 PolarHBondContact O-N 2.55Å
162	V	48.1	Very low	50.8	Low	106 Å²	106	80.9 Å²	80.9	64%	0.642	40%	0.403	S	S	*	.	H	α-helix	trans	-75.8	-43.8	179.5	-178.9	0	0	0	0	111.4	N160 Q164 F165 I166	N160-V162 PolarHBondContact O-N 3.05Å; V162-Q164 VanDerWaalsContact C-N 3.33Å; V162-Q164 PolarHBondContact O-N 3.42Å; V162-F165 PolarHBondContact O-N 3.1Å; V162-I166 HydrophobicContact CG1-CD1 4.11Å; V162-I166 WeakPolarHBondContact O-CG1 3.31Å; V162-I166 PolarHBondContact O-N 2.83Å
163	D	50.5	Low	51.6	Low	109 Å²	109	86.2 Å²	86.2	58%	0.583	43%	0.426	S	S	*	.	H	α-helix	trans	-67.3	-38	-179.3	-66.2	-38.1	0	0	0	111.3	F165 I166 D167	D163-F165 VanDerWaalsContact C-N 3.33Å; D163-F165 PolarHBondContact O-N 2.9Å; D163-I166 PolarHBondContact O-N 3.45Å; D163-D167 PolarHBondContact O-N 3.38Å
164	Q	53.5	Low	52.5	Low	42 Å²	42	85.8 Å²	85.8	20%	0.196	43%	0.428	C	S	.	.	H	α-helix	trans	-62.5	-39.7	174.5	-64.3	-170.3	-6.2	0	0	111.9	Q156 N161 V162 D167 Y168	Q156-Q164 PolarHBondContact O-NE2 3.38Å; Q156-Q164 PolarHBondContact O-OE1 2.82Å; N161-Q164 PolarHBondContact OD1-OE1 2.99Å; V162-Q164 VanDerWaalsContact C-N 3.33Å; V162-Q164 PolarHBondContact O-N 3.42Å; Q164-D167 PolarHBondContact O-N 3.08Å; Q164-Y168 VanDerWaalsContact O-CB 3.22Å; Q164-Y168 WeakPolarHBondContact O-CB 3.4Å; Q164-Y168 PolarHBondContact O-N 2.68Å
165	F	53.5	Low	53.2	Low	53 Å²	53	86.1 Å²	86.1	23%	0.232	41%	0.413	C	S	.	.	H	α-helix	trans	-67.9	-38.3	175.5	-175	-97.1	0	0	0	112.3	N161 V162 D163 Y168 R169 V188 Y191	N161-F165 PolarHBondContact O-N 2.55Å; V162-F165 PolarHBondContact O-N 3.1Å; D163-F165 VanDerWaalsContact C-N 3.33Å; D163-F165 PolarHBondContact O-N 2.9Å; F165-Y168 HydrophobicContact CD2-CD1 4.47Å; F165-Y168 PolarHBondContact O-N 3.06Å; F165-R169 WeakPolarHBondContact O-CB 3.41Å; F165-R169 PolarHBondContact O-N 3.43Å; F165-V188 HydrophobicContact CE2-CG2 4.01Å; F165-V188 HydrophobicContact CZ-CG2 3.6Å; F165-Y191 HydrophobicContact CB-CE1 4.46Å; F165-Y191 AromaticContact CD2-CD1 3.82Å; F165-Y191 HydrophobicContact CD2-CD1 3.82Å; F165-Y191 HydrophobicContact CD2-CE1 4.07Å; F165-Y191 HydrophobicContact CD2-CG 4.06Å; F165-Y191 HydrophobicContact CE2-CD1 4.43Å; F165-Y191 HydrophobicContact CE2-CG 4.49Å
166	I	56.4	Low	53.5	Low	68 Å²	68	86.3 Å²	86.3	35%	0.349	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-44.7	174.4	-68	168.2	0	0	0	110.4	V162 D163 R169 R170	V162-I166 HydrophobicContact CG1-CD1 4.11Å; V162-I166 WeakPolarHBondContact O-CG1 3.31Å; V162-I166 PolarHBondContact O-N 2.83Å; D163-I166 PolarHBondContact O-N 3.45Å; I166-R169 WeakPolarHBondContact O-CB 3.41Å; I166-R169 PolarHBondContact O-N 2.95Å; I166-R170 WeakPolarHBondContact O-CG 3.47Å; I166-R170 PolarHBondContact O-N 3.49Å
167	D	60.5	Low	54.2	Low	61 Å²	61	83.6 Å²	83.6	33%	0.326	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-35.8	176.7	-82.9	-13.3	0	0	0	112.8	D163 Q164 R170 R171	D163-D167 PolarHBondContact O-N 3.38Å; Q164-D167 PolarHBondContact O-N 3.08Å; D167-R170 PolarHBondContact O-N 2.99Å; D167-R170 IonicContact OD1-CZ 3.58Å; D167-R170 IonicContact OD1-NH1 2.73Å; D167-R170 PolarHBondContact OD1-NH1 3.07Å; D167-R171 WeakPolarHBondContact O-CG 3.24Å; D167-R171 PolarHBondContact O-N 2.77Å
168	Y	58.4	Low	54.7	Low	0 Å²	0	89.7 Å²	89.7	0%	0	44%	0.444	C	S	.	.	H	α-helix	trans	-63.1	-43.8	172.1	-178.8	-114.2	0	0	0	111.2	V148 I151 L155 Q164 F165 R170 R171 I172 V187 Y191	V148-Y168 WeakPolarHBondContact CG1-OH 3.36Å; I151-Y168 HydrophobicContact CB-CE2 3.95Å; I151-Y168 HydrophobicContact CG2-CD2 3.59Å; I151-Y168 HydrophobicContact CG2-CE2 3.42Å; I151-Y168 VanDerWaalsContact CG2-CE2 3.42Å; L155-Y168 HydrophobicContact CD1-CD2 3.77Å; L155-Y168 HydrophobicContact CD1-CG 4.32Å; Q164-Y168 VanDerWaalsContact O-CB 3.22Å; Q164-Y168 WeakPolarHBondContact O-CB 3.4Å; Q164-Y168 PolarHBondContact O-N 2.68Å; F165-Y168 HydrophobicContact CD2-CD1 4.47Å; F165-Y168 PolarHBondContact O-N 3.06Å; Y168-R170 VanDerWaalsContact C-N 3.35Å; Y168-R170 PolarHBondContact O-N 3.15Å; Y168-R171 PolarHBondContact O-N 2.99Å; Y168-I172 HydrophobicContact CD1-CD1 3.97Å; Y168-I172 HydrophobicContact CD2-CD1 4.22Å; Y168-I172 HydrophobicContact CE1-CD1 3.57Å; Y168-I172 HydrophobicContact CE2-CD1 3.8Å; Y168-I172 HydrophobicContact CG-CD1 4.28Å; Y168-I172 VanDerWaalsContact CZ-CD1 3.45Å; Y168-I172 WeakPolarHBondContact O-CG1 3.29Å; Y168-I172 PolarHBondContact O-N 3.44Å; Y168-V187 HydrophobicContact CD1-CG1 3.91Å; Y168-V187 HydrophobicContact CE1-CB 4.49Å; Y168-V187 HydrophobicContact CE1-CG1 3.23Å; Y168-Y191 AromaticContact CD1-CD2 3.81Å; Y168-Y191 HydrophobicContact CD1-CD2 3.81Å; Y168-Y191 HydrophobicContact CD1-CG 4.3Å; Y168-Y191 HydrophobicContact CD2-CD2 4.48Å; Y168-Y191 AromaticContact CE1-CD2 3.96Å; Y168-Y191 HydrophobicContact CE1-CD2 3.96Å; Y168-Y191 HydrophobicContact CE1-CG 4.24Å; Y168-Y191 HydrophobicContact CG-CD2 4.08Å
169	R	57.1	Low	55.4	Low	119 Å²	119	85.8 Å²	85.8	45%	0.449	42%	0.423	S	S	.	.	H	α-helix	trans	-61	-41.2	173.4	-168.9	-175	-176.1	-171.3	0.6	112	F165 I166 K173 W184	F165-R169 WeakPolarHBondContact O-CB 3.41Å; F165-R169 PolarHBondContact O-N 3.43Å; I166-R169 WeakPolarHBondContact O-CB 3.41Å; I166-R169 PolarHBondContact O-N 2.95Å; R169-K173 PolarHBondContact O-N 2.91Å; R169-K173 VanDerWaalsContact O-N 3.15Å; R169-W184 HydrophobicContact CB-CH2 4.44Å; R169-W184 HydrophobicContact CB-CZ3 4.05Å; R169-W184 HydrophobicContact CG-CE3 3.92Å; R169-W184 HydrophobicContact CG-CH2 3.62Å; R169-W184 HydrophobicContact CG-CZ2 4.27Å; R169-W184 HydrophobicContact CG-CZ3 3.42Å; R169-W184 VanDerWaalsContact CG-CZ3 3.42Å; R169-W184 WeakPolarHBondContact O-CH2 3.48Å
170	R	61.5	Low	55.8	Low	142 Å²	142	80 Å²	80	54%	0.536	41%	0.406	S	S	.	.	H	α-helix	trans	-63.7	-47.1	176.1	-72.5	175.2	-165.1	159.1	-2.4	111.5	I166 D167 Y168 I172 K173 M174	I166-R170 WeakPolarHBondContact O-CG 3.47Å; I166-R170 PolarHBondContact O-N 3.49Å; D167-R170 PolarHBondContact O-N 2.99Å; D167-R170 IonicContact OD1-CZ 3.58Å; D167-R170 IonicContact OD1-NH1 2.73Å; D167-R170 PolarHBondContact OD1-NH1 3.07Å; Y168-R170 VanDerWaalsContact C-N 3.35Å; Y168-R170 PolarHBondContact O-N 3.15Å; R170-I172 VanDerWaalsContact C-N 3.35Å; R170-I172 PolarHBondContact O-N 3.49Å; R170-K173 PolarHBondContact O-N 2.96Å; R170-M174 WeakPolarHBondContact O-CG 3.29Å; R170-M174 PolarHBondContact O-N 3.34Å; R170-M174 VanDerWaalsContact O-N 3.08Å
171	R	62.1	Low	55.9	Low	115 Å²	115	82.2 Å²	82.2	43%	0.434	41%	0.412	S	S	.	.	H	α-helix	trans	-58.2	-45.3	178.4	-78.7	-178.4	-106.7	-144.4	-2.5	112.1	D167 Y168 K173 M174 D175	D167-R171 WeakPolarHBondContact O-CG 3.24Å; D167-R171 PolarHBondContact O-N 2.77Å; Y168-R171 PolarHBondContact O-N 2.99Å; R171-K173 PolarHBondContact O-N 2.97Å; R171-M174 WeakPolarHBondContact O-CB 3.21Å; R171-M174 PolarHBondContact O-N 3.28Å; R171-M174 VanDerWaalsContact O-N 3.11Å; R171-D175 PolarHBondContact O-N 3.44Å
172	I	57.2	Low	55.5	Low	5 Å²	5	89.2 Å²	89.2	3%	0.026	44%	0.437	C	S	.	.	H	α-helix	trans	-66.2	-36.9	179.3	-69.2	171.8	0	0	0	112.3	I151 Y168 R170 M174 D175 C176 F179 W184 V187	I151-I172 HydrophobicContact CD1-CG1 4.19Å; Y168-I172 HydrophobicContact CD1-CD1 3.97Å; Y168-I172 HydrophobicContact CD2-CD1 4.22Å; Y168-I172 HydrophobicContact CE1-CD1 3.57Å; Y168-I172 HydrophobicContact CE2-CD1 3.8Å; Y168-I172 HydrophobicContact CG-CD1 4.28Å; Y168-I172 VanDerWaalsContact CZ-CD1 3.45Å; Y168-I172 WeakPolarHBondContact O-CG1 3.29Å; Y168-I172 PolarHBondContact O-N 3.44Å; R170-I172 VanDerWaalsContact C-N 3.35Å; R170-I172 PolarHBondContact O-N 3.49Å; I172-M174 VanDerWaalsContact C-N 3.29Å; I172-M174 PolarHBondContact O-N 2.95Å; I172-D175 PolarHBondContact O-N 2.93Å; I172-C176 WeakPolarHBondContact O-CB 3.28Å; I172-C176 PolarHBondContact O-N 3.5Å; I172-F179 HydrophobicContact CG2-CD1 3.93Å; I172-F179 HydrophobicContact CG2-CE1 3.95Å; I172-F179 HydrophobicContact CG2-CG 4.32Å; I172-F179 HydrophobicContact CG2-CZ 4.37Å; I172-W184 HydrophobicContact CB-CH2 3.8Å; I172-W184 HydrophobicContact CB-CZ3 3.91Å; I172-W184 HydrophobicContact CG2-CH2 3.61Å; I172-W184 HydrophobicContact CG2-CZ2 4.43Å; I172-W184 HydrophobicContact CG2-CZ3 3.77Å; I172-V187 HydrophobicContact CD1-CB 4.14Å; I172-V187 HydrophobicContact CD1-CG1 3.19Å; I172-V187 HydrophobicContact CD1-CG2 3.77Å; I172-V187 HydrophobicContact CG2-CG2 4.33Å
173	K	61.6	Low	55.8	Low	117 Å²	117	86.2 Å²	86.2	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-37.5	172.5	-79.5	-171.5	177.5	-170.3	0	112.3	R169 R170 R171 W184	R169-K173 PolarHBondContact O-N 2.91Å; R169-K173 VanDerWaalsContact O-N 3.15Å; R170-K173 PolarHBondContact O-N 2.96Å; R171-K173 PolarHBondContact O-N 2.97Å; K173-W184 HydrophobicContact CD-CZ2 4.17Å; K173-W184 HydrophobicContact CG-CH2 3.63Å; K173-W184 HydrophobicContact CG-CZ2 3.37Å
174	M	62.3	Low	56.1	Low	151 Å²	151	82.7 Å²	82.7	74%	0.744	40%	0.396	S	S	*	.	H	α-helix	trans	-71.6	-44.1	178.1	-68.7	177.1	176.2	0	0	111.7	R170 R171 I172	R170-M174 WeakPolarHBondContact O-CG 3.29Å; R170-M174 PolarHBondContact O-N 3.34Å; R170-M174 VanDerWaalsContact O-N 3.08Å; R171-M174 WeakPolarHBondContact O-CB 3.21Å; R171-M174 PolarHBondContact O-N 3.28Å; R171-M174 VanDerWaalsContact O-N 3.11Å; I172-M174 VanDerWaalsContact C-N 3.29Å; I172-M174 PolarHBondContact O-N 2.95Å
175	D	56.9	Low	56	Low	75 Å²	75	84.1 Å²	84.1	40%	0.401	40%	0.401	S	S	.	.	H	α-helix	trans	-79.9	-20.7	-174.9	-68.9	-28.1	0	0	0	113.9	R147 R171 I172	R147-D175 PolarHBondContact NH1-O 3.38Å; R171-D175 PolarHBondContact O-N 3.44Å; I172-D175 PolarHBondContact O-N 2.93Å
176	C	53.4	Low	56	Low	25 Å²	25	82.7 Å²	82.7	17%	0.169	40%	0.4	C	S	.	.			trans	-140.9	78.2	-176.9	-65.7	0	0	0	0	110.9	I172 N178 F179	I172-C176 WeakPolarHBondContact O-CB 3.28Å; I172-C176 PolarHBondContact O-N 3.5Å; C176-N178 PolarHBondContact O-N 2.84Å; C176-F179 HydrophobicContact CB-CB 3.87Å; C176-F179 HydrophobicContact CB-CD2 3.97Å; C176-F179 HydrophobicContact CB-CG 4.22Å; C176-F179 WeakPolarHBondContact O-CB 3.48Å; C176-F179 PolarHBondContact O-N 2.8Å; C176-F179 VanDerWaalsContact O-N 3.13Å
177	P	55.4	Low	55.9	Low	110 Å²	110	79.5 Å²	79.5	71%	0.714	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.7	-179.1	23.2	-32.5	0	0	0	113.8	F179	P177-F179 VanDerWaalsContact C-N 3.26Å; P177-F179 PolarHBondContact O-N 3.45Å
178	N	54.4	Low	55.8	Low	160 Å²	160	78 Å²	78	86%	0.856	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	12.5	176.9	-65.1	-19.7	0	0	0	113.4	C176 G180	C176-N178 PolarHBondContact O-N 2.84Å; N178-G180 PolarHBondContact O-N 3.41Å
179	F	54.8	Low	55.8	Low	23 Å²	23	78.4 Å²	78.4	10%	0.101	38%	0.379	C	S	.	.			trans	-76.1	90.3	-179.1	-151.5	-106.8	0	0	0	109.5	H144 I172 C176 P177 N183 W184 V187	H144-F179 AromaticContact CE1-CE2 3.96Å; H144-F179 AromaticContact ND1-CE2 3.74Å; I172-F179 HydrophobicContact CG2-CD1 3.93Å; I172-F179 HydrophobicContact CG2-CE1 3.95Å; I172-F179 HydrophobicContact CG2-CG 4.32Å; I172-F179 HydrophobicContact CG2-CZ 4.37Å; C176-F179 HydrophobicContact CB-CB 3.87Å; C176-F179 HydrophobicContact CB-CD2 3.97Å; C176-F179 HydrophobicContact CB-CG 4.22Å; C176-F179 WeakPolarHBondContact O-CB 3.48Å; C176-F179 PolarHBondContact O-N 2.8Å; C176-F179 VanDerWaalsContact O-N 3.13Å; P177-F179 VanDerWaalsContact C-N 3.26Å; P177-F179 PolarHBondContact O-N 3.45Å; F179-N183 HydrophobicContact CD1-CB 3.36Å; F179-N183 HydrophobicContact CD2-CB 3.76Å; F179-N183 HydrophobicContact CE1-CB 3.2Å; F179-N183 WeakPolarHBondContact CE1-O 3.16Å; F179-N183 HydrophobicContact CE2-CB 3.61Å; F179-N183 HydrophobicContact CG-CB 3.65Å; F179-N183 HydrophobicContact CZ-CB 3.35Å; F179-N183 WeakPolarHBondContact CZ-O 3.49Å; F179-W184 HydrophobicContact CD1-CD2 4.43Å; F179-W184 HydrophobicContact CD1-CZ2 4.38Å; F179-V187 HydrophobicContact CE1-CB 4.39Å; F179-V187 HydrophobicContact CE1-CG2 3.34Å; F179-V187 HydrophobicContact CZ-CG2 3.29Å
180	G	53.3	Low	55.8	Low	38 Å²	38	73.7 Å²	73.7	39%	0.392	36%	0.364	S	S	.	.			trans	-58	163.8	-178.7	0	0	0	0	0	113.6	N178 Y182 N183	N178-G180 PolarHBondContact O-N 3.41Å; G180-Y182 PolarHBondContact O-N 3.34Å; G180-N183 WeakPolarHBondContact O-CB 3.12Å; G180-N183 PolarHBondContact O-N 3.45Å
181	E	47.7	Very low	55.7	Low	167 Å²	167	67.2 Å²	67.2	78%	0.78	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-55.6	-28	-173.2	-68.9	-173.1	149.6	0	0	114
182	Y	46	Very low	55.6	Low	187 Å²	187	65.1 Å²	65.1	73%	0.733	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-74.8	-19.9	177.1	-69.5	-83.1	0	0	0	114.6	G180	G180-Y182 PolarHBondContact O-N 3.34Å
183	N	55.7	Low	55.6	Low	44 Å²	44	65.3 Å²	65.3	24%	0.235	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-80.9	-17.4	-176.8	-72.9	-19.3	0	0	0	112.9	F179 G180 F185 A186 V187	F179-N183 HydrophobicContact CD1-CB 3.36Å; F179-N183 HydrophobicContact CD2-CB 3.76Å; F179-N183 HydrophobicContact CE1-CB 3.2Å; F179-N183 WeakPolarHBondContact CE1-O 3.16Å; F179-N183 HydrophobicContact CE2-CB 3.61Å; F179-N183 HydrophobicContact CG-CB 3.65Å; F179-N183 HydrophobicContact CZ-CB 3.35Å; F179-N183 WeakPolarHBondContact CZ-O 3.49Å; G180-N183 WeakPolarHBondContact O-CB 3.12Å; G180-N183 PolarHBondContact O-N 3.45Å; N183-F185 PolarHBondContact O-N 2.82Å; N183-A186 PolarHBondContact O-N 3.08Å; N183-V187 PolarHBondContact O-N 3.35Å
184	W	56.3	Low	55.3	Low	34 Å²	34	60.6 Å²	60.6	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-62.7	-29.5	177.1	-72.9	104.1	0	0	0	113.1	R169 I172 K173 F179 V187 V188	R169-W184 HydrophobicContact CB-CH2 4.44Å; R169-W184 HydrophobicContact CB-CZ3 4.05Å; R169-W184 HydrophobicContact CG-CE3 3.92Å; R169-W184 HydrophobicContact CG-CH2 3.62Å; R169-W184 HydrophobicContact CG-CZ2 4.27Å; R169-W184 HydrophobicContact CG-CZ3 3.42Å; R169-W184 VanDerWaalsContact CG-CZ3 3.42Å; R169-W184 WeakPolarHBondContact O-CH2 3.48Å; I172-W184 HydrophobicContact CB-CH2 3.8Å; I172-W184 HydrophobicContact CB-CZ3 3.91Å; I172-W184 HydrophobicContact CG2-CH2 3.61Å; I172-W184 HydrophobicContact CG2-CZ2 4.43Å; I172-W184 HydrophobicContact CG2-CZ3 3.77Å; K173-W184 HydrophobicContact CD-CZ2 4.17Å; K173-W184 HydrophobicContact CG-CH2 3.63Å; K173-W184 HydrophobicContact CG-CZ2 3.37Å; F179-W184 HydrophobicContact CD1-CD2 4.43Å; F179-W184 HydrophobicContact CD1-CZ2 4.38Å; W184-V187 HydrophobicContact CE3-CB 4.39Å; W184-V187 HydrophobicContact CE3-CG1 4.1Å; W184-V187 HydrophobicContact CZ3-CG1 4.17Å; W184-V187 WeakPolarHBondContact O-CB 3.44Å; W184-V187 PolarHBondContact O-N 2.78Å; W184-V188 WeakPolarHBondContact O-CG2 3.3Å; W184-V188 PolarHBondContact O-N 3.5Å
185	F	51.4	Low	55.1	Low	72 Å²	72	54.3 Å²	54.3	32%	0.316	29%	0.287	S	S	.	.	H	α-helix	trans	-63	-44.1	178.5	-70.4	-75.8	0	0	0	112.5	C104 V105 N183 V187 V188 C189	C104-F185 HydrophobicContact CB-CD1 4.43Å; V105-F185 HydrophobicContact CG2-CE1 3.72Å; V105-F185 HydrophobicContact CG2-CZ 3.95Å; N183-F185 PolarHBondContact O-N 2.82Å; F185-V187 VanDerWaalsContact C-N 3.27Å; F185-V187 PolarHBondContact O-N 3.01Å; F185-V188 PolarHBondContact O-N 2.84Å; F185-C189 PolarHBondContact O-N 3.36Å; F185-C189 PolarHBondContact O-SG 3.07Å
186	A	53.5	Low	54.9	Low	24 Å²	24	54.4 Å²	54.4	20%	0.198	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-34	176.6	0	0	0	0	0	112	F141 N183 C190	F141-A186 HydrophobicContact CD1-CB 4.16Å; F141-A186 HydrophobicContact CE1-CB 3.57Å; F141-A186 HydrophobicContact CZ-CB 4.44Å; N183-A186 PolarHBondContact O-N 3.08Å; A186-C190 WeakPolarHBondContact O-CB 3.49Å; A186-C190 PolarHBondContact O-N 2.84Å; A186-C190 PolarHBondContact O-SG 2.78Å
187	V	55	Low	54.9	Low	1 Å²	1	59 Å²	59	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-43.2	177	165.6	0	0	0	0	111.9	V148 Y168 I172 F179 N183 W184 F185 C190 Y191	V148-V187 HydrophobicContact CG2-CG2 4.49Å; Y168-V187 HydrophobicContact CD1-CG1 3.91Å; Y168-V187 HydrophobicContact CE1-CB 4.49Å; Y168-V187 HydrophobicContact CE1-CG1 3.23Å; I172-V187 HydrophobicContact CD1-CB 4.14Å; I172-V187 HydrophobicContact CD1-CG1 3.19Å; I172-V187 HydrophobicContact CD1-CG2 3.77Å; I172-V187 HydrophobicContact CG2-CG2 4.33Å; F179-V187 HydrophobicContact CE1-CB 4.39Å; F179-V187 HydrophobicContact CE1-CG2 3.34Å; F179-V187 HydrophobicContact CZ-CG2 3.29Å; N183-V187 PolarHBondContact O-N 3.35Å; W184-V187 HydrophobicContact CE3-CB 4.39Å; W184-V187 HydrophobicContact CE3-CG1 4.1Å; W184-V187 HydrophobicContact CZ3-CG1 4.17Å; W184-V187 WeakPolarHBondContact O-CB 3.44Å; W184-V187 PolarHBondContact O-N 2.78Å; F185-V187 VanDerWaalsContact C-N 3.27Å; F185-V187 PolarHBondContact O-N 3.01Å; V187-C190 PolarHBondContact O-N 2.93Å; V187-Y191 WeakPolarHBondContact O-CB 3.18Å; V187-Y191 PolarHBondContact O-N 3.07Å
188	V	58.7	Low	54.7	Low	28 Å²	28	57 Å²	57	17%	0.17	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-48.7	175	177.3	0	0	0	0	109.7	F165 W184 F185 C190 Y191 F192	F165-V188 HydrophobicContact CE2-CG2 4.01Å; F165-V188 HydrophobicContact CZ-CG2 3.6Å; W184-V188 WeakPolarHBondContact O-CG2 3.3Å; W184-V188 PolarHBondContact O-N 3.5Å; F185-V188 PolarHBondContact O-N 2.84Å; V188-C190 PolarHBondContact O-N 2.97Å; V188-Y191 PolarHBondContact O-N 2.99Å; V188-F192 HydrophobicContact CG1-CD2 3.66Å; V188-F192 HydrophobicContact CG1-CE2 3.59Å; V188-F192 WeakPolarHBondContact O-CD2 3.43Å; V188-F192 PolarHBondContact O-N 3.11Å
189	C	58.3	Low	54.4	Low	10 Å²	10	54.1 Å²	54.1	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-58.2	-50.6	177.3	-64.6	0	0	0	0	111.1	C104 M128 F185 Y191 F192 T193	C104-C189 VanDerWaalsContact SG-SG 3.65Å; M128-C189 HydrophobicContact CE-CB 4.48Å; F185-C189 PolarHBondContact O-N 3.36Å; F185-C189 PolarHBondContact O-SG 3.07Å; C189-Y191 VanDerWaalsContact C-N 3.34Å; C189-Y191 PolarHBondContact O-N 3.24Å; C189-F192 PolarHBondContact O-N 3.04Å; C189-T193 WeakPolarHBondContact O-CB 3.09Å; C189-T193 PolarHBondContact O-N 3.27Å; C189-T193 PolarHBondContact O-OG1 3.15Å
190	C	56.5	Low	53.9	Low	20 Å²	20	56.3 Å²	56.3	14%	0.135	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-38.8	178.7	-69.2	0	0	0	0	113	V148 A186 V187 V188 T193 S194	V148-C190 HydrophobicContact CG1-CB 3.37Å; A186-C190 WeakPolarHBondContact O-CB 3.49Å; A186-C190 PolarHBondContact O-N 2.84Å; A186-C190 PolarHBondContact O-SG 2.78Å; V187-C190 PolarHBondContact O-N 2.93Å; V188-C190 PolarHBondContact O-N 2.97Å; C190-T193 PolarHBondContact O-N 3.28Å; C190-S194 WeakPolarHBondContact O-CB 3.19Å; C190-S194 PolarHBondContact O-N 3.47Å; C190-S194 PolarHBondContact O-OG 3.17Å; C190-S194 VanDerWaalsContact O-OG 3.12Å
191	Y	59.8	Low	53.5	Low	6 Å²	6	61.1 Å²	61.1	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-52.1	175.4	-179.4	-97.3	0	0	0	110.7	L155 F165 Y168 V187 V188 C189 T193 S194 V195	L155-Y191 HydrophobicContact CD1-CE2 4.13Å; F165-Y191 HydrophobicContact CB-CE1 4.46Å; F165-Y191 AromaticContact CD2-CD1 3.82Å; F165-Y191 HydrophobicContact CD2-CD1 3.82Å; F165-Y191 HydrophobicContact CD2-CE1 4.07Å; F165-Y191 HydrophobicContact CD2-CG 4.06Å; F165-Y191 HydrophobicContact CE2-CD1 4.43Å; F165-Y191 HydrophobicContact CE2-CG 4.49Å; Y168-Y191 AromaticContact CD1-CD2 3.81Å; Y168-Y191 HydrophobicContact CD1-CD2 3.81Å; Y168-Y191 HydrophobicContact CD1-CG 4.3Å; Y168-Y191 HydrophobicContact CD2-CD2 4.48Å; Y168-Y191 AromaticContact CE1-CD2 3.96Å; Y168-Y191 HydrophobicContact CE1-CD2 3.96Å; Y168-Y191 HydrophobicContact CE1-CG 4.24Å; Y168-Y191 HydrophobicContact CG-CD2 4.08Å; V187-Y191 WeakPolarHBondContact O-CB 3.18Å; V187-Y191 PolarHBondContact O-N 3.07Å; V188-Y191 PolarHBondContact O-N 2.99Å; C189-Y191 VanDerWaalsContact C-N 3.34Å; C189-Y191 PolarHBondContact O-N 3.24Å; Y191-T193 PolarHBondContact O-N 3.27Å; Y191-S194 WeakPolarHBondContact CA-OG 3.05Å; Y191-S194 PolarHBondContact O-N 2.7Å; Y191-S194 VanDerWaalsContact O-N 3.17Å; Y191-S194 PolarHBondContact O-OG 2.77Å; Y191-V195 HydrophobicContact CD1-CG2 4.1Å; Y191-V195 HydrophobicContact CE1-CG2 3.81Å; Y191-V195 HydrophobicContact CE2-CG2 4.47Å; Y191-V195 VanDerWaalsContact O-CG2 3.26Å; Y191-V195 WeakPolarHBondContact O-CG2 3.42Å; Y191-V195 PolarHBondContact O-N 3.47Å
192	F	59.6	Low	53	Low	70 Å²	70	55.9 Å²	55.9	31%	0.307	26%	0.26	S	S	.	.	H	α-helix	trans	-65.9	-36.3	179.6	-76.8	-68.4	0	0	0	112.8	L121 M128 V188 C189 V195 Y196	L121-F192 HydrophobicContact CD2-CD1 4.14Å; L121-F192 HydrophobicContact CD2-CE1 4.14Å; M128-F192 HydrophobicContact CE-CB 4.31Å; M128-F192 HydrophobicContact CE-CD2 4.44Å; V188-F192 HydrophobicContact CG1-CD2 3.66Å; V188-F192 HydrophobicContact CG1-CE2 3.59Å; V188-F192 WeakPolarHBondContact O-CD2 3.43Å; V188-F192 PolarHBondContact O-N 3.11Å; C189-F192 PolarHBondContact O-N 3.04Å; F192-V195 PolarHBondContact O-N 3.08Å; F192-Y196 WeakPolarHBondContact O-CB 3.41Å; F192-Y196 PolarHBondContact O-N 3.32Å
193	T	57.9	Low	52.4	Low	9 Å²	9	51.2 Å²	51.2	6%	0.055	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-44.7	171.3	-52	0	0	0	0	111	T132 C189 C190 Y191 V195 Y196 Y197	T132-T193 PolarHBondContact OG1-OG1 2.94Å; C189-T193 WeakPolarHBondContact O-CB 3.09Å; C189-T193 PolarHBondContact O-N 3.27Å; C189-T193 PolarHBondContact O-OG1 3.15Å; C190-T193 PolarHBondContact O-N 3.28Å; Y191-T193 PolarHBondContact O-N 3.27Å; T193-V195 VanDerWaalsContact C-N 3.35Å; T193-V195 PolarHBondContact O-N 3.2Å; T193-Y196 WeakPolarHBondContact O-CB 3.04Å; T193-Y196 PolarHBondContact O-N 3.42Å; T193-Y197 HydrophobicContact CG2-CD2 3.84Å; T193-Y197 HydrophobicContact CG2-CE2 3.88Å; T193-Y197 WeakPolarHBondContact O-CD2 3.4Å; T193-Y197 PolarHBondContact O-N 2.84Å
194	S	55.2	Low	51.1	Low	19 Å²	19	53.7 Å²	53.7	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-38.9	177	59.4	0	0	0	0	112.8	S152 C190 Y191 Y196 Y197 H198	S152-S194 VanDerWaalsContact CB-CB 3.49Å; S152-S194 WeakPolarHBondContact CB-OG 3.35Å; S152-S194 PolarHBondContact OG-OG 3.45Å; C190-S194 WeakPolarHBondContact O-CB 3.19Å; C190-S194 PolarHBondContact O-N 3.47Å; C190-S194 PolarHBondContact O-OG 3.17Å; C190-S194 VanDerWaalsContact O-OG 3.12Å; Y191-S194 WeakPolarHBondContact CA-OG 3.05Å; Y191-S194 PolarHBondContact O-N 2.7Å; Y191-S194 VanDerWaalsContact O-N 3.17Å; Y191-S194 PolarHBondContact O-OG 2.77Å; S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y197 PolarHBondContact O-N 3.06Å; S194-H198 WeakPolarHBondContact O-CB 3.26Å; S194-H198 PolarHBondContact O-N 2.87Å
195	V	57	Low	49.8	Very low	18 Å²	18	60.5 Å²	60.5	11%	0.109	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-43.5	174.2	169.7	0	0	0	0	110.3	V157 Y191 F192 T193 H198 M199	V157-V195 HydrophobicContact CG1-CG1 3.82Å; V157-V195 HydrophobicContact CG1-CG2 4.42Å; V157-V195 HydrophobicContact CG2-CB 4.22Å; V157-V195 HydrophobicContact CG2-CG1 4.16Å; V157-V195 HydrophobicContact CG2-CG2 3.78Å; Y191-V195 HydrophobicContact CD1-CG2 4.1Å; Y191-V195 HydrophobicContact CE1-CG2 3.81Å; Y191-V195 HydrophobicContact CE2-CG2 4.47Å; Y191-V195 VanDerWaalsContact O-CG2 3.26Å; Y191-V195 WeakPolarHBondContact O-CG2 3.42Å; Y191-V195 PolarHBondContact O-N 3.47Å; F192-V195 PolarHBondContact O-N 3.08Å; T193-V195 VanDerWaalsContact C-N 3.35Å; T193-V195 PolarHBondContact O-N 3.2Å; V195-H198 PolarHBondContact O-N 3.3Å; V195-M199 HydrophobicContact CG1-CG 4.23Å; V195-M199 WeakPolarHBondContact O-CB 3.32Å; V195-M199 WeakPolarHBondContact O-CG 3.26Å; V195-M199 PolarHBondContact O-N 2.93Å
196	Y	54	Low	48.7	Very low	78 Å²	78	64.9 Å²	64.9	31%	0.306	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-46.8	176.1	178	-94.6	0	0	0	112.7	M125 F192 T193 S194 H198 M199 N200	M125-Y196 HydrophobicContact CB-CD2 4.43Å; M125-Y196 HydrophobicContact CB-CE2 4.27Å; M125-Y196 HydrophobicContact CE-CD2 4.04Å; M125-Y196 HydrophobicContact CG-CD2 4.42Å; M125-Y196 HydrophobicContact SD-CD2 3.37Å; M125-Y196 WeakPolarHBondContact SD-CD2 3.26Å; M125-Y196 HydrophobicContact SD-CE2 3.61Å; F192-Y196 WeakPolarHBondContact O-CB 3.41Å; F192-Y196 PolarHBondContact O-N 3.32Å; T193-Y196 WeakPolarHBondContact O-CB 3.04Å; T193-Y196 PolarHBondContact O-N 3.42Å; S194-Y196 VanDerWaalsContact C-N 3.35Å; Y196-H198 VanDerWaalsContact C-N 3.33Å; Y196-H198 PolarHBondContact O-N 3.47Å; Y196-M199 PolarHBondContact O-N 3.37Å; Y196-N200 WeakPolarHBondContact CD2-ND2 3.3Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.41Å; Y196-N200 WeakPolarHBondContact O-CB 3.45Å; Y196-N200 PolarHBondContact O-N 3.1Å; Y196-N200 PolarHBondContact O-ND2 3.26Å
197	Y	52.4	Low	47.6	Very low	122 Å²	122	73.1 Å²	73.1	48%	0.478	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-43.3	176.3	-92.5	-86.1	0	0	0	110.8	T193 S194 M199 N200 Y201	T193-Y197 HydrophobicContact CG2-CD2 3.84Å; T193-Y197 HydrophobicContact CG2-CE2 3.88Å; T193-Y197 WeakPolarHBondContact O-CD2 3.4Å; T193-Y197 PolarHBondContact O-N 2.84Å; S194-Y197 PolarHBondContact O-N 3.06Å; Y197-M199 PolarHBondContact O-N 3.32Å; Y197-N200 PolarHBondContact O-N 2.64Å; Y197-Y201 AromaticContact CD1-CD2 3.51Å; Y197-Y201 HydrophobicContact CD1-CD2 3.51Å; Y197-Y201 AromaticContact CD1-CE2 3.59Å; Y197-Y201 HydrophobicContact CD1-CE2 3.59Å; Y197-Y201 HydrophobicContact CD1-CG 4.39Å; Y197-Y201 HydrophobicContact CE1-CD2 4.04Å; Y197-Y201 AromaticContact CE1-CE2 3.61Å; Y197-Y201 HydrophobicContact CE1-CE2 3.61Å; Y197-Y201 HydrophobicContact CG-CD2 4.39Å; Y197-Y201 WeakPolarHBondContact O-CA 3.43Å; Y197-Y201 VanDerWaalsContact O-CB 3.26Å; Y197-Y201 WeakPolarHBondContact O-CB 3.42Å; Y197-Y201 PolarHBondContact O-N 3.37Å
198	H	50.6	Low	47.2	Very low	66 Å²	66	76.8 Å²	76.8	31%	0.306	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-39.8	178.5	-147.7	-65	0	0	0	111.8	V157 S194 V195 Y196 V202	V157-H198 HydrophobicContact CG2-CB 4.41Å; S194-H198 WeakPolarHBondContact O-CB 3.26Å; S194-H198 PolarHBondContact O-N 2.87Å; V195-H198 PolarHBondContact O-N 3.3Å; Y196-H198 VanDerWaalsContact C-N 3.33Å; Y196-H198 PolarHBondContact O-N 3.47Å; H198-V202 WeakPolarHBondContact ND1-CG2 3.46Å; H198-V202 WeakPolarHBondContact O-CB 3.49Å; H198-V202 WeakPolarHBondContact O-CG2 3.36Å; H198-V202 PolarHBondContact O-N 2.86Å
199	M	48.3	Very low	46.6	Very low	100 Å²	100	79.3 Å²	79.3	49%	0.493	40%	0.4	S	S	.	.	H	α-helix	trans	-70.9	-33.2	179	-71	-67.9	-132.2	0	0	113.5	V157 V195 Y196 Y197 T203	V157-M199 HydrophobicContact CG1-CE 4.15Å; V157-M199 HydrophobicContact CG1-SD 4.5Å; V195-M199 HydrophobicContact CG1-CG 4.23Å; V195-M199 WeakPolarHBondContact O-CB 3.32Å; V195-M199 WeakPolarHBondContact O-CG 3.26Å; V195-M199 PolarHBondContact O-N 2.93Å; Y196-M199 PolarHBondContact O-N 3.37Å; Y197-M199 PolarHBondContact O-N 3.32Å; M199-T203 WeakPolarHBondContact O-CB 3.37Å; M199-T203 WeakPolarHBondContact O-CG2 3.49Å; M199-T203 PolarHBondContact O-OG1 2.9Å
200	N	45.7	Very low	45.9	Very low	69 Å²	69	83.2 Å²	83.2	37%	0.369	42%	0.419	S	S	.	.	H	α-helix	trans	-98.1	-26.7	-178	-70.1	-68.2	0	0	0	114.6	Y196 Y197 C204	Y196-N200 WeakPolarHBondContact CD2-ND2 3.3Å; Y196-N200 WeakPolarHBondContact CE2-ND2 3.41Å; Y196-N200 WeakPolarHBondContact O-CB 3.45Å; Y196-N200 PolarHBondContact O-N 3.1Å; Y196-N200 PolarHBondContact O-ND2 3.26Å; Y197-N200 PolarHBondContact O-N 2.64Å; N200-C204 PolarHBondContact O-SG 2.85Å
201	Y	43.8	Very low	45.3	Very low	140 Å²	140	86.9 Å²	86.9	55%	0.549	44%	0.436	S	S	.	.	H	α-helix	trans	-98	-27.6	179.8	-78	-94.5	0	0	0	113.4	Y197 F205	Y197-Y201 AromaticContact CD1-CD2 3.51Å; Y197-Y201 HydrophobicContact CD1-CD2 3.51Å; Y197-Y201 AromaticContact CD1-CE2 3.59Å; Y197-Y201 HydrophobicContact CD1-CE2 3.59Å; Y197-Y201 HydrophobicContact CD1-CG 4.39Å; Y197-Y201 HydrophobicContact CE1-CD2 4.04Å; Y197-Y201 AromaticContact CE1-CE2 3.61Å; Y197-Y201 HydrophobicContact CE1-CE2 3.61Å; Y197-Y201 HydrophobicContact CG-CD2 4.39Å; Y197-Y201 WeakPolarHBondContact O-CA 3.43Å; Y197-Y201 VanDerWaalsContact O-CB 3.26Å; Y197-Y201 WeakPolarHBondContact O-CB 3.42Å; Y197-Y201 PolarHBondContact O-N 3.37Å; Y201-F205 WeakPolarHBondContact O-CD2 3.33Å
202	V	37.8	Very low	44.4	Very low	56 Å²	56	91.9 Å²	91.9	34%	0.339	46%	0.461	S	S	.	.	S	Bend	trans	-79.9	-29.7	175.8	-177.4	0	0	0	0	111.4	H198 C204 F205	H198-V202 WeakPolarHBondContact ND1-CG2 3.46Å; H198-V202 WeakPolarHBondContact O-CB 3.49Å; H198-V202 WeakPolarHBondContact O-CG2 3.36Å; H198-V202 PolarHBondContact O-N 2.86Å; V202-C204 VanDerWaalsContact C-N 3.27Å; V202-C204 PolarHBondContact O-N 2.96Å; V202-F205 PolarHBondContact O-N 2.87Å
203	T	33.6	Very low	43.4	Very low	89 Å²	89	93.4 Å²	93.4	55%	0.546	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.5	172.2	54.5	0	0	0	0	113.5	M199	M199-T203 WeakPolarHBondContact O-CB 3.37Å; M199-T203 WeakPolarHBondContact O-CG2 3.49Å; M199-T203 PolarHBondContact O-OG1 2.9Å
204	C	28.7	Very low	42.4	Very low	96 Å²	96	99.4 Å²	99.4	65%	0.649	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2	174.7	-75.2	0	0	0	0	114.6	N200 V202	N200-C204 PolarHBondContact O-SG 2.85Å; V202-C204 VanDerWaalsContact C-N 3.27Å; V202-C204 PolarHBondContact O-N 2.96Å
205	F	29	Very low	41.4	Very low	178 Å²	178	105.6 Å²	105.6	78%	0.781	53%	0.53	S	S	*	.	S	Bend	trans	-118.7	6.7	178.9	-88.1	-83.6	0	0	0	114.3	Y201 V202	Y201-F205 WeakPolarHBondContact O-CD2 3.33Å; V202-F205 PolarHBondContact O-N 2.87Å
206	E	26.5	Very low	40.1	Very low	163 Å²	163	112.9 Å²	112.9	76%	0.762	57%	0.565	S	S	*	*			trans	-118.5	26.2	179.8	-72.5	-168.4	154.3	0	0	115
207	V	30.6	Very low	38.8	Very low	198 Å²	198	116.1 Å²	116.1	100%	1.2	59%	0.588	S	S	*	*			trans	-128.5	0	163.8	-172.4	0	0	0	0	109.1

Retrieved 207 of 207 residues in 410.2 ms (Link to these results)

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