A0A096N0N6_PAPAN Loading...

Glycerol-3-phosphate acyltransferase 4

AlphaFold DB (A0A2K5QJE3), UniProt , Accession A0A096N0N6, Species PAPAN (Papio anubis, Olive baboon), Gene GPAT4, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	58.5	Low	220 Å²	220	127.5 Å²	127.5	100%	1.084	66%	0.656	S	S	*	*				0	87.7	0	-166.8	166.9	97	0	0	107.3	L3	M1-L3 PolarHBondContact O-N 2.92Å
2	F	45.5	Very low	60.1	Low	208 Å²	208	124.8 Å²	124.8	91%	0.912	65%	0.65	S	S	*	*			trans	-77.1	113.9	176	-89.4	-88.7	0	0	0	107.6	L4	F2-L4 PolarHBondContact O-N 3.46Å; F2-L4 VanDerWaalsContact O-N 3.11Å
3	L	49.2	Very low	61.6	Low	141 Å²	141	122.2 Å²	122.2	74%	0.738	64%	0.637	S	S	*	*			trans	-65.1	105.4	168.3	-91.5	99.4	0	0	0	108.1	M1 L5	M1-L3 PolarHBondContact O-N 2.92Å; L3-L5 PolarHBondContact O-N 3.11Å
4	L	51.4	Low	63	Low	151 Å²	151	120.7 Å²	120.7	79%	0.791	63%	0.629	S	S	*	*			trans	-67.1	114.6	158.5	-86.1	152.7	0	0	0	107	F2 D8	F2-L4 PolarHBondContact O-N 3.46Å; F2-L4 VanDerWaalsContact O-N 3.11Å; L4-D8 HydrophobicContact CD2-CB 4.24Å
5	L	54	Low	64	Low	105 Å²	105	120 Å²	120	55%	0.55	63%	0.626	S	S	.	*			trans	-67.8	146.5	177.5	-75.5	159.7	0	0	0	109	L3 F7 D8	L3-L5 PolarHBondContact O-N 3.11Å; L5-F7 PolarHBondContact O-N 3.17Å; L5-D8 PolarHBondContact N-OD2 2.93Å; L5-D8 WeakPolarHBondContact O-CB 3.25Å; L5-D8 PolarHBondContact O-N 2.98Å
6	P	59.4	Low	64.8	Low	103 Å²	103	114.5 Å²	114.5	67%	0.669	61%	0.607	S	S	*	*	H	α-helix	trans	-59.1	-22.7	178	21.6	-31.4	0	0	0	113.4	S9 L10	P6-S9 PolarHBondContact O-N 3.29Å; P6-L10 PolarHBondContact O-N 2.97Å
7	F	55.5	Low	65.7	Low	148 Å²	148	113.9 Å²	113.9	65%	0.649	60%	0.603	S	S	*	*	H	α-helix	trans	-66.6	-34.3	172	-84.4	-85.6	0	0	0	113.4	L5 S9 L10 I11	L5-F7 PolarHBondContact O-N 3.17Å; F7-S9 VanDerWaalsContact C-N 3.34Å; F7-L10 PolarHBondContact O-N 3.49Å; F7-I11 WeakPolarHBondContact O-CG1 3.43Å; F7-I11 PolarHBondContact O-N 3.49Å
8	D	61.5	Low	66.4	Low	71 Å²	71	111.8 Å²	111.8	38%	0.38	60%	0.599	S	S	.	*	H	α-helix	trans	-67.7	-38.7	177.3	-61.8	-36.2	0	0	0	110.6	L4 L5 V12	L4-D8 HydrophobicContact CD2-CB 4.24Å; L5-D8 PolarHBondContact N-OD2 2.93Å; L5-D8 WeakPolarHBondContact O-CB 3.25Å; L5-D8 PolarHBondContact O-N 2.98Å; D8-V12 WeakPolarHBondContact O-CB 3.47Å; D8-V12 WeakPolarHBondContact O-CG2 3.27Å; D8-V12 PolarHBondContact O-N 3.22Å
9	S	70.7	Confident	67	Low	67 Å²	67	112.1 Å²	112.1	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-65	-41.4	175.2	-176.4	0	0	0	0	112.2	P6 F7 N13	P6-S9 PolarHBondContact O-N 3.29Å; F7-S9 VanDerWaalsContact C-N 3.34Å; S9-N13 VanDerWaalsContact O-CB 3.3Å; S9-N13 WeakPolarHBondContact O-CB 3.39Å; S9-N13 PolarHBondContact O-N 2.85Å; S9-N13 PolarHBondContact O-ND2 2.78Å
10	L	77.3	Confident	67.6	Low	97 Å²	97	110.9 Å²	110.9	51%	0.508	60%	0.597	S	S	.	*	H	α-helix	trans	-67	-43.9	178	-174	67.3	0	0	0	112.2	P6 F7 N13 L14	P6-L10 PolarHBondContact O-N 2.97Å; F7-L10 PolarHBondContact O-N 3.49Å; L10-N13 PolarHBondContact O-N 2.86Å; L10-L14 HydrophobicContact CD1-CD1 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.06Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.09Å; L10-L14 PolarHBondContact O-N 3.49Å
11	I	78.6	Confident	68.3	Low	92 Å²	92	109.4 Å²	109.4	47%	0.472	59%	0.591	S	S	.	*	H	α-helix	trans	-64.1	-44	177.5	-68.8	170.3	0	0	0	110.5	F7 N13 L14 L15	F7-I11 WeakPolarHBondContact O-CG1 3.43Å; F7-I11 PolarHBondContact O-N 3.49Å; I11-N13 PolarHBondContact O-N 3.07Å; I11-L14 PolarHBondContact O-N 3.4Å; I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 HydrophobicContact CG2-CG 4.35Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.45Å
12	V	77.4	Confident	70.1	Confident	95 Å²	95	104.1 Å²	104.1	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-62.8	-41.7	176.5	170.3	0	0	0	0	111.3	D8 L15 G16	D8-V12 WeakPolarHBondContact O-CB 3.47Å; D8-V12 WeakPolarHBondContact O-CG2 3.27Å; D8-V12 PolarHBondContact O-N 3.22Å; V12-L15 PolarHBondContact O-N 3.37Å; V12-G16 PolarHBondContact O-N 3.15Å
13	N	79.4	Confident	71.7	Confident	90 Å²	90	100.4 Å²	100.4	48%	0.481	55%	0.551	S	S	.	*	H	α-helix	trans	-66.1	-42.7	176.1	-73.4	-31.3	0	0	0	112.2	S9 L10 I11 G16 I17	S9-N13 VanDerWaalsContact O-CB 3.3Å; S9-N13 WeakPolarHBondContact O-CB 3.39Å; S9-N13 PolarHBondContact O-N 2.85Å; S9-N13 PolarHBondContact O-ND2 2.78Å; L10-N13 PolarHBondContact O-N 2.86Å; I11-N13 PolarHBondContact O-N 3.07Å; N13-G16 PolarHBondContact O-N 3.44Å; N13-I17 VanDerWaalsContact O-CG1 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.15Å; N13-I17 PolarHBondContact O-N 3.46Å
14	L	81.1	Confident	73.3	Confident	102 Å²	102	97 Å²	97	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-65	-40	176	-73.7	170.3	0	0	0	112.1	L10 I11 S18	L10-L14 HydrophobicContact CD1-CD1 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.06Å; L10-L14 WeakPolarHBondContact O-CB 3.35Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.09Å; L10-L14 PolarHBondContact O-N 3.49Å; I11-L14 PolarHBondContact O-N 3.4Å; L14-S18 VanDerWaalsContact O-CB 3.24Å; L14-S18 WeakPolarHBondContact O-CB 3.27Å; L14-S18 PolarHBondContact O-N 3.23Å
15	L	78.4	Confident	74.9	Confident	110 Å²	110	94 Å²	94	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-64.1	-42.2	172.6	-75.5	168.7	0	0	0	111.3	I11 V12 S18 L19	I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 HydrophobicContact CG2-CG 4.35Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.45Å; V12-L15 PolarHBondContact O-N 3.37Å; L15-S18 PolarHBondContact O-N 3.3Å; L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 PolarHBondContact O-N 3.41Å
16	G	75.8	Confident	76.1	Confident	32 Å²	32	90.9 Å²	90.9	33%	0.33	50%	0.504	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.2	0	0	0	0	0	112.5	V12 N13 L19 T20	V12-G16 PolarHBondContact O-N 3.15Å; N13-G16 PolarHBondContact O-N 3.44Å; G16-L19 PolarHBondContact O-N 3.02Å; G16-T20 WeakPolarHBondContact O-CB 3.35Å; G16-T20 PolarHBondContact O-N 2.9Å; G16-T20 PolarHBondContact O-OG1 3.3Å
17	I	81.6	Confident	77.2	Confident	104 Å²	104	89.2 Å²	89.2	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-48.8	174.9	-67.9	165.4	0	0	0	110	N13 L19 T20 V21	N13-I17 VanDerWaalsContact O-CG1 3.25Å; N13-I17 WeakPolarHBondContact O-CG1 3.15Å; N13-I17 PolarHBondContact O-N 3.46Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L19 PolarHBondContact O-N 3.19Å; I17-T20 PolarHBondContact O-N 3.41Å; I17-V21 HydrophobicContact CG2-CG2 4.29Å; I17-V21 WeakPolarHBondContact O-CB 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.21Å; I17-V21 PolarHBondContact O-N 2.84Å
18	S	77.6	Confident	78.6	Confident	76 Å²	76	85.2 Å²	85.2	53%	0.531	48%	0.477	S	S	.	.	H	α-helix	trans	-58.1	-45.4	178.6	-176.1	0	0	0	0	112.1	L14 L15 T20 V21 L22	L14-S18 VanDerWaalsContact O-CB 3.24Å; L14-S18 WeakPolarHBondContact O-CB 3.27Å; L14-S18 PolarHBondContact O-N 3.23Å; L15-S18 PolarHBondContact O-N 3.3Å; S18-T20 PolarHBondContact O-N 3.3Å; S18-V21 PolarHBondContact O-N 2.69Å; S18-L22 WeakPolarHBondContact O-CB 3.33Å; S18-L22 PolarHBondContact O-N 2.98Å
19	L	77.4	Confident	79.6	Confident	117 Å²	117	87.4 Å²	87.4	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-41.9	176.6	-173.2	69.5	0	0	0	111.7	L15 G16 I17 L22 F23	L15-L19 VanDerWaalsContact O-CB 3.27Å; L15-L19 WeakPolarHBondContact O-CB 3.27Å; L15-L19 PolarHBondContact O-N 3.41Å; G16-L19 PolarHBondContact O-N 3.02Å; I17-L19 VanDerWaalsContact C-N 3.35Å; I17-L19 PolarHBondContact O-N 3.19Å; L19-L22 PolarHBondContact O-N 3.27Å; L19-F23 VanDerWaalsContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CB 3.26Å; L19-F23 PolarHBondContact O-N 2.79Å
20	T	79.4	Confident	80.2	Confident	88 Å²	88	86 Å²	86	54%	0.54	47%	0.47	S	S	.	.	H	α-helix	trans	-64.8	-44.7	178.3	-57.3	0	0	0	0	111.1	G16 I17 S18 F23 T24	G16-T20 WeakPolarHBondContact O-CB 3.35Å; G16-T20 PolarHBondContact O-N 2.9Å; G16-T20 PolarHBondContact O-OG1 3.3Å; I17-T20 PolarHBondContact O-N 3.41Å; S18-T20 PolarHBondContact O-N 3.3Å; T20-F23 PolarHBondContact O-N 3.16Å; T20-T24 WeakPolarHBondContact O-CB 3.37Å; T20-T24 PolarHBondContact O-N 3.13Å; T20-T24 PolarHBondContact O-OG1 3.36Å
21	V	82.7	Confident	80.4	Confident	80 Å²	80	82.6 Å²	82.6	49%	0.485	45%	0.452	S	S	.	.	H	α-helix	trans	-61.4	-48	175.3	171	0	0	0	0	110.2	I17 S18 F23 T24 L25	I17-V21 HydrophobicContact CG2-CG2 4.29Å; I17-V21 WeakPolarHBondContact O-CB 3.37Å; I17-V21 VanDerWaalsContact O-CG2 3.31Å; I17-V21 WeakPolarHBondContact O-CG2 3.21Å; I17-V21 PolarHBondContact O-N 2.84Å; S18-V21 PolarHBondContact O-N 2.69Å; V21-F23 PolarHBondContact O-N 2.94Å; V21-T24 PolarHBondContact O-N 3.09Å; V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.37Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.07Å
22	L	78.3	Confident	80.7	Confident	110 Å²	110	80.9 Å²	80.9	58%	0.576	45%	0.445	S	S	*	.	H	α-helix	trans	-59.9	-45.7	178.7	-178	66.2	0	0	0	111.9	S18 L19 T24 L25 L26	S18-L22 WeakPolarHBondContact O-CB 3.33Å; S18-L22 PolarHBondContact O-N 2.98Å; L19-L22 PolarHBondContact O-N 3.27Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-L25 PolarHBondContact O-N 3.05Å; L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 PolarHBondContact O-N 2.96Å
23	F	79.1	Confident	81.1	Confident	129 Å²	129	76.8 Å²	76.8	57%	0.566	42%	0.421	S	S	*	.	H	α-helix	trans	-64	-41	177.4	-174	-98.7	0	0	0	111.6	L19 T20 V21 L26 L27	L19-F23 VanDerWaalsContact O-CB 3.32Å; L19-F23 WeakPolarHBondContact O-CB 3.26Å; L19-F23 PolarHBondContact O-N 2.79Å; T20-F23 PolarHBondContact O-N 3.16Å; V21-F23 PolarHBondContact O-N 2.94Å; F23-L26 PolarHBondContact O-N 3.15Å; F23-L27 HydrophobicContact CE1-CD1 3.93Å; F23-L27 HydrophobicContact CZ-CD1 4.26Å; F23-L27 VanDerWaalsContact O-CB 3.28Å; F23-L27 WeakPolarHBondContact O-CB 3.3Å; F23-L27 PolarHBondContact O-N 2.91Å
24	T	83.6	Confident	81.3	Confident	71 Å²	71	72.5 Å²	72.5	44%	0.436	40%	0.398	S	S	.	.	H	α-helix	trans	-63	-45.1	176.7	-55.7	0	0	0	0	110.9	T20 V21 L22 L26 L27 V28	T20-T24 WeakPolarHBondContact O-CB 3.37Å; T20-T24 PolarHBondContact O-N 3.13Å; T20-T24 PolarHBondContact O-OG1 3.36Å; V21-T24 PolarHBondContact O-N 3.09Å; L22-T24 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 2.92Å; T24-L27 PolarHBondContact O-N 2.85Å; T24-V28 HydrophobicContact CG2-CG2 4.19Å; T24-V28 WeakPolarHBondContact O-CB 3.25Å; T24-V28 VanDerWaalsContact O-CG2 3.29Å; T24-V28 WeakPolarHBondContact O-CG2 3.43Å; T24-V28 PolarHBondContact O-N 3.32Å
25	L	83.2	Confident	81.4	Confident	86 Å²	86	70.7 Å²	70.7	45%	0.45	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-44.4	175.9	-69.9	176.1	0	0	0	111.6	V21 L22 F29	V21-L25 HydrophobicContact CG1-CD1 4.06Å; V21-L25 HydrophobicContact CG1-CG 4.37Å; V21-L25 VanDerWaalsContact O-CG 3.29Å; V21-L25 WeakPolarHBondContact O-CG 3.49Å; V21-L25 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 3.05Å; L25-F29 HydrophobicContact CB-CD2 4.44Å; L25-F29 HydrophobicContact CD2-CD2 3.79Å; L25-F29 HydrophobicContact CD2-CE2 3.59Å; L25-F29 WeakPolarHBondContact O-CB 3.41Å; L25-F29 WeakPolarHBondContact O-CD2 3.4Å; L25-F29 PolarHBondContact O-N 3.39Å
26	L	79.9	Confident	81.7	Confident	40 Å²	40	72.6 Å²	72.6	21%	0.209	39%	0.392	C	S	.	.	I	π-helix	trans	-62.7	-43	176.8	-179	143.3	0	0	0	111.5	L22 F23 T24 I30 I31 T185	L22-L26 WeakPolarHBondContact O-CB 3.43Å; L22-L26 PolarHBondContact O-N 2.96Å; F23-L26 PolarHBondContact O-N 3.15Å; T24-L26 PolarHBondContact O-N 2.92Å; L26-I30 HydrophobicContact CB-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 4.22Å; L26-I30 WeakPolarHBondContact O-CA 3.3Å; L26-I30 WeakPolarHBondContact O-CB 3.13Å; L26-I30 PolarHBondContact O-N 3.32Å; L26-I31 HydrophobicContact CD2-CD1 3.39Å; L26-I31 HydrophobicContact CD2-CG1 3.82Å; L26-I31 PolarHBondContact O-N 3.17Å; L26-T185 HydrophobicContact CD1-CG2 3.97Å
27	L	82.8	Confident	81.9	Confident	69 Å²	69	73.1 Å²	73.1	36%	0.361	40%	0.397	S	S	.	.	I	π-helix	trans	-65.3	-52.3	178.7	-171.8	134.6	0	0	0	111.5	F23 T24 I31 V32	F23-L27 HydrophobicContact CE1-CD1 3.93Å; F23-L27 HydrophobicContact CZ-CD1 4.26Å; F23-L27 VanDerWaalsContact O-CB 3.28Å; F23-L27 WeakPolarHBondContact O-CB 3.3Å; F23-L27 PolarHBondContact O-N 2.91Å; T24-L27 PolarHBondContact O-N 2.85Å; L27-I31 PolarHBondContact O-N 2.96Å; L27-V32 HydrophobicContact CD2-CG2 4.01Å; L27-V32 HydrophobicContact CG-CG2 4.4Å; L27-V32 WeakPolarHBondContact O-CB 3.34Å; L27-V32 WeakPolarHBondContact O-CG2 3.47Å; L27-V32 PolarHBondContact O-N 3.42Å
28	V	84.4	Confident	81.8	Confident	63 Å²	63	72.1 Å²	72.1	38%	0.382	40%	0.396	S	S	.	.	I	π-helix	trans	-72.7	-40.8	-173.6	174	0	0	0	0	112.6	T24 P33	T24-V28 HydrophobicContact CG2-CG2 4.19Å; T24-V28 WeakPolarHBondContact O-CB 3.25Å; T24-V28 VanDerWaalsContact O-CG2 3.29Å; T24-V28 WeakPolarHBondContact O-CG2 3.43Å; T24-V28 PolarHBondContact O-N 3.32Å; V28-P33 WeakPolarHBondContact O-CD 3.31Å; V28-P33 WeakPolarHBondContact O-CG 3.3Å
29	F	83.3	Confident	81.6	Confident	118 Å²	118	71.7 Å²	71.7	52%	0.518	39%	0.393	S	S	.	.	I	π-helix	trans	-99.7	-20.5	-172.6	-65.7	-75.4	0	0	0	114.2	L25 F40	L25-F29 HydrophobicContact CB-CD2 4.44Å; L25-F29 HydrophobicContact CD2-CD2 3.79Å; L25-F29 HydrophobicContact CD2-CE2 3.59Å; L25-F29 WeakPolarHBondContact O-CB 3.41Å; L25-F29 WeakPolarHBondContact O-CD2 3.4Å; L25-F29 PolarHBondContact O-N 3.39Å; F29-F40 HydrophobicContact CD1-CE2 4.08Å; F29-F40 HydrophobicContact CD1-CZ 4.22Å
30	I	82.6	Confident	81.3	Confident	36 Å²	36	72.2 Å²	72.2	19%	0.185	39%	0.39	C	S	.	.	I	π-helix	trans	-111.3	-60.3	-177.2	-53.7	170.3	0	0	0	110.8	L26 A34 L182 I220 R223	L26-I30 HydrophobicContact CB-CD1 4.44Å; L26-I30 HydrophobicContact CG-CD1 4.22Å; L26-I30 WeakPolarHBondContact O-CA 3.3Å; L26-I30 WeakPolarHBondContact O-CB 3.13Å; L26-I30 PolarHBondContact O-N 3.32Å; I30-A34 VanDerWaalsContact O-CB 3.27Å; I30-A34 WeakPolarHBondContact O-CB 3.44Å; I30-A34 PolarHBondContact O-N 3.02Å; I30-L182 HydrophobicContact CD1-CD2 3.62Å; I30-L182 HydrophobicContact CG1-CD2 3.97Å; I30-L182 HydrophobicContact CG2-CD2 3.76Å; I30-I220 HydrophobicContact CG2-CD1 4.17Å; I30-I220 HydrophobicContact CG2-CG1 3.97Å; I30-I220 HydrophobicContact CG2-CG2 4.23Å; I30-R223 PolarHBondContact O-NH1 3.45Å
31	I	81.6	Confident	80.9	Confident	26 Å²	26	69.8 Å²	69.8	13%	0.133	38%	0.383	C	S	.	.	I	π-helix	trans	-70.5	-57.3	-172	-65.6	-176.1	0	0	0	111.7	L26 L27 A34 I35 L189 M216	L26-I31 HydrophobicContact CD2-CD1 3.39Å; L26-I31 HydrophobicContact CD2-CG1 3.82Å; L26-I31 PolarHBondContact O-N 3.17Å; L27-I31 PolarHBondContact O-N 2.96Å; I31-A34 WeakPolarHBondContact O-CA 3.15Å; I31-A34 VanDerWaalsContact O-CB 3.26Å; I31-A34 WeakPolarHBondContact O-CB 3.2Å; I31-A34 PolarHBondContact O-N 3.24Å; I31-I35 HydrophobicContact CG2-CD1 3.7Å; I31-I35 HydrophobicContact CG2-CG1 4.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.29Å; I31-I35 PolarHBondContact O-N 2.7Å; I31-L189 HydrophobicContact CD1-CD1 4.18Å; I31-L189 HydrophobicContact CG1-CD1 4.37Å; I31-M216 HydrophobicContact CG2-SD 3.82Å
32	V	85.5	Confident	80.8	Confident	56 Å²	56	71.8 Å²	71.8	34%	0.339	39%	0.39	S	S	.	.	H	α-helix	trans	-56.6	-49.8	-175.2	165.2	0	0	0	0	111.4	L27 A34 I35 F36	L27-V32 HydrophobicContact CD2-CG2 4.01Å; L27-V32 HydrophobicContact CG-CG2 4.4Å; L27-V32 WeakPolarHBondContact O-CB 3.34Å; L27-V32 WeakPolarHBondContact O-CG2 3.47Å; L27-V32 PolarHBondContact O-N 3.42Å; V32-A34 PolarHBondContact O-N 3.22Å; V32-I35 PolarHBondContact O-N 3.2Å; V32-F36 HydrophobicContact CG1-CD2 3.93Å; V32-F36 HydrophobicContact CG1-CE2 4Å; V32-F36 VanDerWaalsContact O-CD2 3.23Å; V32-F36 WeakPolarHBondContact O-CD2 3.4Å; V32-F36 PolarHBondContact O-N 2.97Å
33	P	85.3	Confident	80.9	Confident	9 Å²	9	70 Å²	70	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-64	-26.5	175	-23.1	34.6	0	0	0	113	V28 G37 V38 F40 R223	V28-P33 WeakPolarHBondContact O-CD 3.31Å; V28-P33 WeakPolarHBondContact O-CG 3.3Å; P33-G37 CarbonylContact O-C 3.59Å; P33-G37 WeakPolarHBondContact O-CA 3.21Å; P33-G37 PolarHBondContact O-N 3.44Å; P33-V38 PolarHBondContact O-N 3.35Å; P33-V38 VanDerWaalsContact O-N 3.1Å; P33-F40 HydrophobicContact CB-CE2 4.3Å; P33-F40 HydrophobicContact CG-CE2 3.6Å; P33-F40 HydrophobicContact CG-CZ 3.75Å; P33-R223 VanDerWaalsContact C-NH2 3.26Å; P33-R223 PolarHBondContact O-NH2 3.03Å
34	A	83	Confident	81	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-70	-44.9	176	0	0	0	0	0	111.3	I30 I31 V32 G37 M216 R219 I220	I30-A34 VanDerWaalsContact O-CB 3.27Å; I30-A34 WeakPolarHBondContact O-CB 3.44Å; I30-A34 PolarHBondContact O-N 3.02Å; I31-A34 WeakPolarHBondContact O-CA 3.15Å; I31-A34 VanDerWaalsContact O-CB 3.26Å; I31-A34 WeakPolarHBondContact O-CB 3.2Å; I31-A34 PolarHBondContact O-N 3.24Å; V32-A34 PolarHBondContact O-N 3.22Å; A34-G37 PolarHBondContact O-N 2.79Å; A34-M216 HydrophobicContact CB-CG 3.83Å; A34-R219 HydrophobicContact CB-CB 4.19Å; A34-R219 WeakPolarHBondContact O-CD 3.41Å; A34-R219 PolarHBondContact O-NH1 3.18Å; A34-I220 HydrophobicContact CB-CD1 4.24Å; A34-I220 HydrophobicContact CB-CG1 3.74Å
35	I	84.3	Confident	81.1	Confident	65 Å²	65	73.4 Å²	73.4	33%	0.333	39%	0.389	S	S	.	.	H	α-helix	trans	-59.4	-50.7	178.6	-65.3	170.6	0	0	0	110.2	I31 V32 G37 M216 R219	I31-I35 HydrophobicContact CG2-CD1 3.7Å; I31-I35 HydrophobicContact CG2-CG1 4.28Å; I31-I35 WeakPolarHBondContact O-CG1 3.29Å; I31-I35 PolarHBondContact O-N 2.7Å; V32-I35 PolarHBondContact O-N 3.2Å; I35-G37 VanDerWaalsContact C-N 3.34Å; I35-G37 PolarHBondContact O-N 3.36Å; I35-M216 HydrophobicContact CD1-SD 4.06Å; I35-M216 HydrophobicContact CG1-CB 4.16Å; I35-M216 HydrophobicContact CG1-CG 3.79Å; I35-M216 HydrophobicContact CG1-SD 3.72Å; I35-R219 PolarHBondContact O-NH1 3.13Å
36	F	84.4	Confident	81.3	Confident	150 Å²	150	72.1 Å²	72.1	66%	0.658	38%	0.379	S	S	*	.	H	α-helix	trans	-81.8	-10.3	-177.5	-63.3	-68.9	0	0	0	114.3	V32 V38	V32-F36 HydrophobicContact CG1-CD2 3.93Å; V32-F36 HydrophobicContact CG1-CE2 4Å; V32-F36 VanDerWaalsContact O-CD2 3.23Å; V32-F36 WeakPolarHBondContact O-CD2 3.4Å; V32-F36 PolarHBondContact O-N 2.97Å; F36-V38 HydrophobicContact CB-CG2 3.88Å; F36-V38 PolarHBondContact O-N 2.92Å
37	G	79.3	Confident	81.7	Confident	42 Å²	42	72.5 Å²	72.5	43%	0.433	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	19.7	-178.4	0	0	0	0	0	113.8	P33 A34 I35 R219	P33-G37 CarbonylContact O-C 3.59Å; P33-G37 WeakPolarHBondContact O-CA 3.21Å; P33-G37 PolarHBondContact O-N 3.44Å; A34-G37 PolarHBondContact O-N 2.79Å; I35-G37 VanDerWaalsContact C-N 3.34Å; I35-G37 PolarHBondContact O-N 3.36Å; G37-R219 VanDerWaalsContact N-NH1 3.18Å
38	V	79.9	Confident	82	Confident	84 Å²	84	75.6 Å²	75.6	51%	0.509	39%	0.391	S	S	.	.			trans	-85.5	150.9	-179.2	-178.6	0	0	0	0	110.3	P33 F36 R223	P33-V38 PolarHBondContact O-N 3.35Å; P33-V38 VanDerWaalsContact O-N 3.1Å; F36-V38 HydrophobicContact CB-CG2 3.88Å; F36-V38 PolarHBondContact O-N 2.92Å; V38-R223 PolarHBondContact O-NH2 3.37Å
39	S	73.3	Confident	82.3	Confident	67 Å²	67	75.8 Å²	75.8	47%	0.469	39%	0.392	S	S	.	.			trans	-130.4	141.6	170.8	83.1	0	0	0	0	110.4	G41	S39-G41 PolarHBondContact O-N 2.96Å
40	F	70.7	Confident	82.6	Confident	127 Å²	127	70.4 Å²	70.4	56%	0.557	37%	0.369	S	S	*	.			trans	-75.4	19.2	-178.6	-60.8	-75.7	0	0	0	114.5	F29 P33 I42	F29-F40 HydrophobicContact CD1-CE2 4.08Å; F29-F40 HydrophobicContact CD1-CZ 4.22Å; P33-F40 HydrophobicContact CB-CE2 4.3Å; P33-F40 HydrophobicContact CG-CE2 3.6Å; P33-F40 HydrophobicContact CG-CZ 3.75Å; F40-I42 HydrophobicContact CB-CD1 4.19Å; F40-I42 HydrophobicContact CB-CG1 4.33Å; F40-I42 PolarHBondContact O-N 3.49Å
41	G	72.8	Confident	83	Confident	38 Å²	38	71.5 Å²	71.5	39%	0.392	37%	0.374	S	S	.	.	S	Bend	trans	71.3	-19	178.7	0	0	0	0	0	116.4	S39 R43 K44	S39-G41 PolarHBondContact O-N 2.96Å; G41-R43 PolarHBondContact O-N 3.5Å; G41-K44 PolarHBondContact O-N 3.26Å
42	I	80.3	Confident	83.4	Confident	122 Å²	122	78 Å²	78	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-50	-36.5	-179.9	-61	169.8	0	0	0	112.3	F40 K44 L45 Y46	F40-I42 HydrophobicContact CB-CD1 4.19Å; F40-I42 HydrophobicContact CB-CG1 4.33Å; F40-I42 PolarHBondContact O-N 3.49Å; I42-K44 PolarHBondContact O-N 3.29Å; I42-L45 PolarHBondContact O-N 3.26Å; I42-Y46 WeakPolarHBondContact O-CB 3.44Å; I42-Y46 PolarHBondContact O-N 3.45Å
43	R	79.7	Confident	83.7	Confident	73 Å²	73	78 Å²	78	28%	0.275	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-38.6	-179.6	-63.6	-173.7	-161.8	172.8	18.5	113.5	G41 L45 Y46 M47 A227 I228	G41-R43 PolarHBondContact O-N 3.5Å; R43-L45 VanDerWaalsContact C-N 3.34Å; R43-Y46 PolarHBondContact O-N 2.93Å; R43-M47 WeakPolarHBondContact O-CB 3.41Å; R43-M47 PolarHBondContact O-N 3.16Å; R43-A227 PolarHBondContact NH1-O 2.98Å; R43-I228 HydrophobicContact CB-CD1 4.2Å; R43-I228 HydrophobicContact CB-CG1 4.35Å
44	K	80.8	Confident	83.9	Confident	150 Å²	150	77.8 Å²	77.8	65%	0.652	40%	0.397	S	S	*	.	H	α-helix	trans	-66.2	-41.2	178.2	-71	-174.6	178.7	-178.6	0	110.4	G41 I42 K48	G41-K44 PolarHBondContact O-N 3.26Å; I42-K44 PolarHBondContact O-N 3.29Å; K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 WeakPolarHBondContact O-CG 3.39Å; K44-K48 PolarHBondContact O-N 3.22Å
45	L	86	Confident	84.1	Confident	120 Å²	120	80.3 Å²	80.3	63%	0.628	42%	0.418	S	S	*	.	H	α-helix	trans	-64	-48.5	175.1	-178.4	61.2	0	0	0	111	I42 R43 M47 K48 T49	I42-L45 PolarHBondContact O-N 3.26Å; R43-L45 VanDerWaalsContact C-N 3.34Å; L45-M47 PolarHBondContact O-N 3.14Å; L45-K48 PolarHBondContact O-N 2.7Å; L45-T49 PolarHBondContact O-N 3.31Å; L45-T49 PolarHBondContact O-OG1 2.95Å; L45-T49 VanDerWaalsContact O-OG1 3.07Å
46	Y	88	Confident	84.3	Confident	60 Å²	60	83.3 Å²	83.3	24%	0.235	43%	0.425	C	S	.	.	H	α-helix	trans	-54.4	-48.7	176.3	177.1	-109.3	0	0	0	112.5	I42 R43 T49 L50 T226 W379 A380	I42-Y46 WeakPolarHBondContact O-CB 3.44Å; I42-Y46 PolarHBondContact O-N 3.45Å; R43-Y46 PolarHBondContact O-N 2.93Å; Y46-T49 PolarHBondContact O-N 3.04Å; Y46-L50 HydrophobicContact CD1-CD1 3.96Å; Y46-L50 HydrophobicContact CE1-CD1 3.38Å; Y46-L50 HydrophobicContact CE1-CG 4.27Å; Y46-L50 HydrophobicContact CE2-CD1 4.14Å; Y46-L50 HydrophobicContact CE2-CD2 4.48Å; Y46-L50 HydrophobicContact CE2-CG 4.24Å; Y46-L50 VanDerWaalsContact CZ-CD1 3.5Å; Y46-L50 WeakPolarHBondContact O-CG 3.3Å; Y46-L50 PolarHBondContact O-N 3.06Å; Y46-T226 HydrophobicContact CE1-CG2 4.27Å; Y46-W379 PolarHBondContact OH-O 3.02Å; Y46-A380 HydrophobicContact CE1-CB 4.47Å
47	M	87.6	Confident	84.3	Confident	47 Å²	47	76.1 Å²	76.1	23%	0.232	39%	0.394	C	S	.	.	H	α-helix	trans	-60.9	-47.9	177.9	-173.9	-172.4	76.7	0	0	112	R43 L45 T49 L50 L51 I228 F356 V382	R43-M47 WeakPolarHBondContact O-CB 3.41Å; R43-M47 PolarHBondContact O-N 3.16Å; L45-M47 PolarHBondContact O-N 3.14Å; M47-T49 VanDerWaalsContact C-N 3.28Å; M47-T49 PolarHBondContact O-N 3.28Å; M47-L50 PolarHBondContact O-N 2.86Å; M47-L51 HydrophobicContact CG-CD1 4.36Å; M47-L51 WeakPolarHBondContact O-CG 3.22Å; M47-L51 PolarHBondContact O-N 3.29Å; M47-I228 HydrophobicContact CB-CD1 3.93Å; M47-I228 HydrophobicContact CG-CD1 4.31Å; M47-I228 HydrophobicContact SD-CD1 4.31Å; M47-I228 HydrophobicContact SD-CG2 4.35Å; M47-F356 HydrophobicContact CG-CE1 3.78Å; M47-F356 HydrophobicContact CG-CE2 4.42Å; M47-F356 HydrophobicContact CG-CZ 3.47Å; M47-F356 VanDerWaalsContact CG-CZ 3.47Å; M47-F356 HydrophobicContact SD-CZ 4.47Å; M47-V382 HydrophobicContact SD-CG1 4.45Å
48	K	88.6	Confident	84.6	Confident	135 Å²	135	74.9 Å²	74.9	59%	0.587	38%	0.378	S	S	*	.	H	α-helix	trans	-60.1	-38.8	176.9	-76.4	-176.9	177.3	-171.9	0	111.9	K44 L45 K52	K44-K48 WeakPolarHBondContact O-CB 3.39Å; K44-K48 WeakPolarHBondContact O-CG 3.39Å; K44-K48 PolarHBondContact O-N 3.22Å; L45-K48 PolarHBondContact O-N 2.7Å; K48-K52 WeakPolarHBondContact O-CG 3.15Å; K48-K52 PolarHBondContact O-N 3.42Å
49	T	91.1	Very high	84.8	Confident	67 Å²	67	75.9 Å²	75.9	41%	0.411	38%	0.38	S	S	.	.	H	α-helix	trans	-65.8	-46	176.2	-61.8	0	0	0	0	111.4	L45 Y46 M47 L51 K52 I53	L45-T49 PolarHBondContact O-N 3.31Å; L45-T49 PolarHBondContact O-OG1 2.95Å; L45-T49 VanDerWaalsContact O-OG1 3.07Å; Y46-T49 PolarHBondContact O-N 3.04Å; M47-T49 VanDerWaalsContact C-N 3.28Å; M47-T49 PolarHBondContact O-N 3.28Å; T49-L51 PolarHBondContact O-N 3.13Å; T49-K52 PolarHBondContact O-N 2.85Å; T49-I53 HydrophobicContact CG2-CD1 3.96Å; T49-I53 WeakPolarHBondContact O-CG1 3.17Å; T49-I53 PolarHBondContact O-N 3.41Å
50	L	90.6	Very high	85.3	Confident	5 Å²	5	76.1 Å²	76.1	3%	0.026	37%	0.37	C	S	.	.	H	α-helix	trans	-60.1	-45.7	176.8	-75.2	178.1	0	0	0	112.5	Y46 M47 K52 I53 F54 F356 W379	Y46-L50 HydrophobicContact CD1-CD1 3.96Å; Y46-L50 HydrophobicContact CE1-CD1 3.38Å; Y46-L50 HydrophobicContact CE1-CG 4.27Å; Y46-L50 HydrophobicContact CE2-CD1 4.14Å; Y46-L50 HydrophobicContact CE2-CD2 4.48Å; Y46-L50 HydrophobicContact CE2-CG 4.24Å; Y46-L50 VanDerWaalsContact CZ-CD1 3.5Å; Y46-L50 WeakPolarHBondContact O-CG 3.3Å; Y46-L50 PolarHBondContact O-N 3.06Å; M47-L50 PolarHBondContact O-N 2.86Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.47Å; L50-I53 CarbonylContact O-C 3.55Å; L50-I53 WeakPolarHBondContact O-CA 3.37Å; L50-I53 WeakPolarHBondContact O-CB 3.19Å; L50-I53 PolarHBondContact O-N 2.83Å; L50-F54 HydrophobicContact CB-CE2 4.14Å; L50-F54 HydrophobicContact CB-CZ 4.08Å; L50-F54 HydrophobicContact CD2-CE1 4.28Å; L50-F54 HydrophobicContact CD2-CZ 4.13Å; L50-F54 HydrophobicContact CG-CZ 4.49Å; L50-F54 WeakPolarHBondContact O-CD1 3.46Å; L50-F54 VanDerWaalsContact O-CG 3.24Å; L50-F54 WeakPolarHBondContact O-CG 3.08Å; L50-F54 PolarHBondContact O-N 2.99Å; L50-F356 HydrophobicContact CB-CE1 4.03Å; L50-F356 HydrophobicContact CD1-CD1 3.97Å; L50-F356 HydrophobicContact CD1-CE1 4.02Å; L50-W379 HydrophobicContact CD1-CB 3.79Å; L50-W379 HydrophobicContact CD1-CG 4.4Å; L50-W379 HydrophobicContact CD2-CD2 3.91Å; L50-W379 HydrophobicContact CD2-CE3 3.65Å; L50-W379 HydrophobicContact CD2-CG 4.34Å; L50-W379 HydrophobicContact CD2-CZ3 4.04Å
51	L	90.3	Very high	85.8	Confident	58 Å²	58	70.3 Å²	70.3	30%	0.304	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-42.6	177.8	-72.6	170.7	0	0	0	112	M47 T49 I53 F54 A55 Q355 F356	M47-L51 HydrophobicContact CG-CD1 4.36Å; M47-L51 WeakPolarHBondContact O-CG 3.22Å; M47-L51 PolarHBondContact O-N 3.29Å; T49-L51 PolarHBondContact O-N 3.13Å; L51-I53 VanDerWaalsContact C-N 3.31Å; L51-I53 PolarHBondContact O-N 3.25Å; L51-F54 PolarHBondContact O-N 3.26Å; L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.17Å; L51-A55 PolarHBondContact O-N 3.2Å; L51-Q355 VanDerWaalsContact CD2-OE1 3.31Å; L51-F356 HydrophobicContact CD1-CZ 4.14Å; L51-F356 HydrophobicContact CD2-CE1 4.48Å; L51-F356 HydrophobicContact CD2-CE2 3.93Å; L51-F356 HydrophobicContact CD2-CZ 3.58Å; L51-F356 HydrophobicContact CG-CE1 4.39Å; L51-F356 HydrophobicContact CG-CE2 4.44Å; L51-F356 HydrophobicContact CG-CZ 3.65Å
52	K	91.1	Very high	86.2	Confident	164 Å²	164	72.5 Å²	72.5	71%	0.713	35%	0.345	S	S	*	.	H	α-helix	trans	-60.8	-40.9	174.3	-73.5	178.9	178.1	-173.1	0	111.9	K48 T49 L50 W56	K48-K52 WeakPolarHBondContact O-CG 3.15Å; K48-K52 PolarHBondContact O-N 3.42Å; T49-K52 PolarHBondContact O-N 2.85Å; L50-K52 VanDerWaalsContact C-N 3.31Å; L50-K52 PolarHBondContact O-N 3.47Å; K52-W56 WeakPolarHBondContact O-CB 3.37Å; K52-W56 PolarHBondContact O-N 3.25Å
53	I	90.2	Very high	86.3	Confident	54 Å²	54	73.8 Å²	73.8	28%	0.277	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-46.3	177.4	-67.6	166.9	0	0	0	110.8	T49 L50 L51 W56 A57 L145 L163	T49-I53 HydrophobicContact CG2-CD1 3.96Å; T49-I53 WeakPolarHBondContact O-CG1 3.17Å; T49-I53 PolarHBondContact O-N 3.41Å; L50-I53 CarbonylContact O-C 3.55Å; L50-I53 WeakPolarHBondContact O-CA 3.37Å; L50-I53 WeakPolarHBondContact O-CB 3.19Å; L50-I53 PolarHBondContact O-N 2.83Å; L51-I53 VanDerWaalsContact C-N 3.31Å; L51-I53 PolarHBondContact O-N 3.25Å; I53-W56 PolarHBondContact O-N 2.77Å; I53-A57 VanDerWaalsContact O-CB 3.29Å; I53-A57 WeakPolarHBondContact O-CB 3.48Å; I53-A57 PolarHBondContact O-N 3.41Å; I53-L145 HydrophobicContact CG2-CD1 3.93Å; I53-L163 HydrophobicContact CG2-CD2 3.97Å
54	F	89.5	Confident	86.3	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-64.4	-42.8	179.7	-60.5	-18.2	0	0	0	111.8	L50 L51 A57 T58 N144 L145 Q355 F356 W379	L50-F54 HydrophobicContact CB-CE2 4.14Å; L50-F54 HydrophobicContact CB-CZ 4.08Å; L50-F54 HydrophobicContact CD2-CE1 4.28Å; L50-F54 HydrophobicContact CD2-CZ 4.13Å; L50-F54 HydrophobicContact CG-CZ 4.49Å; L50-F54 WeakPolarHBondContact O-CD1 3.46Å; L50-F54 VanDerWaalsContact O-CG 3.24Å; L50-F54 WeakPolarHBondContact O-CG 3.08Å; L50-F54 PolarHBondContact O-N 2.99Å; L51-F54 PolarHBondContact O-N 3.26Å; F54-A57 PolarHBondContact O-N 2.88Å; F54-T58 WeakPolarHBondContact O-CB 3.2Å; F54-T58 PolarHBondContact O-N 3.35Å; F54-T58 PolarHBondContact O-OG1 3.23Å; F54-N144 HydrophobicContact CD1-CB 4.48Å; F54-N144 HydrophobicContact CD2-CB 4.41Å; F54-N144 HydrophobicContact CE1-CB 4.32Å; F54-N144 WeakPolarHBondContact CE1-O 3.26Å; F54-N144 HydrophobicContact CE2-CB 4.24Å; F54-N144 HydrophobicContact CZ-CB 4.2Å; F54-L145 HydrophobicContact CE1-CD1 4.39Å; F54-L145 HydrophobicContact CE1-CG 4.42Å; F54-Q355 WeakPolarHBondContact CE2-O 3.31Å; F54-F356 HydrophobicContact CE2-CD1 4.12Å; F54-F356 HydrophobicContact CE2-CE1 4.31Å; F54-W379 AromaticContact CE1-CD1 3.95Å; F54-W379 HydrophobicContact CE1-CG 4.45Å; F54-W379 AromaticContact CE1-NE1 3.82Å; F54-W379 HydrophobicContact CZ-CB 4.32Å; F54-W379 AromaticContact CZ-CD1 3.51Å; F54-W379 HydrophobicContact CZ-CD2 4.45Å; F54-W379 AromaticContact CZ-CG 3.87Å; F54-W379 HydrophobicContact CZ-CG 3.87Å; F54-W379 AromaticContact CZ-NE1 3.88Å
55	A	87.4	Confident	86.2	Confident	53 Å²	53	64.3 Å²	64.3	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-47.1	175.5	0	0	0	0	0	111.4	L51 A57 T58 L59	L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.17Å; L51-A55 PolarHBondContact O-N 3.2Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A55-A57 PolarHBondContact O-N 3.42Å; A55-T58 PolarHBondContact O-N 3.31Å; A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 WeakPolarHBondContact O-CG 3.35Å; A55-L59 PolarHBondContact O-N 2.78Å
56	W	89.4	Confident	85.9	Confident	127 Å²	127	66.9 Å²	66.9	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-43.8	175.7	175.7	87.6	0	0	0	112.3	K52 I53 R60 L160 L163	K52-W56 WeakPolarHBondContact O-CB 3.37Å; K52-W56 PolarHBondContact O-N 3.25Å; I53-W56 PolarHBondContact O-N 2.77Å; W56-R60 WeakPolarHBondContact O-CB 3.48Å; W56-R60 PolarHBondContact O-N 2.96Å; W56-L160 HydrophobicContact CH2-CD2 4.33Å; W56-L160 HydrophobicContact CZ3-CD2 3.77Å; W56-L163 HydrophobicContact CE3-CD2 4.19Å; W56-L163 HydrophobicContact CZ3-CD2 3.74Å
57	A	84.8	Confident	85.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-43	-179.6	0	0	0	0	0	111.3	I53 F54 A55 R60 M61 W143 L160	I53-A57 VanDerWaalsContact O-CB 3.29Å; I53-A57 WeakPolarHBondContact O-CB 3.48Å; I53-A57 PolarHBondContact O-N 3.41Å; F54-A57 PolarHBondContact O-N 2.88Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A55-A57 PolarHBondContact O-N 3.42Å; A57-R60 PolarHBondContact O-N 3.29Å; A57-M61 VanDerWaalsContact O-CG 3.31Å; A57-M61 WeakPolarHBondContact O-CG 3.41Å; A57-M61 PolarHBondContact O-N 3.44Å; A57-W143 HydrophobicContact CB-CE3 3.88Å; A57-W143 HydrophobicContact CB-CZ3 4.32Å; A57-L160 HydrophobicContact CB-CD2 3.99Å
58	T	84	Confident	85	Confident	16 Å²	16	74.7 Å²	74.7	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-62.1	-50.9	177.1	-56.8	0	0	0	0	111.2	F54 A55 R60 M61 E62 Y73 W143	F54-T58 WeakPolarHBondContact O-CB 3.2Å; F54-T58 PolarHBondContact O-N 3.35Å; F54-T58 PolarHBondContact O-OG1 3.23Å; A55-T58 PolarHBondContact O-N 3.31Å; T58-R60 PolarHBondContact O-N 2.73Å; T58-M61 WeakPolarHBondContact O-CA 3.38Å; T58-M61 WeakPolarHBondContact O-CB 3.39Å; T58-M61 PolarHBondContact O-N 2.77Å; T58-E62 WeakPolarHBondContact O-CG 3.42Å; T58-E62 PolarHBondContact O-N 2.73Å; T58-Y73 WeakPolarHBondContact CG2-OH 3.33Å; T58-W143 PolarHBondContact OG1-N 3.33Å
59	L	84.9	Confident	84.3	Confident	104 Å²	104	75.9 Å²	75.9	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-56.5	-35.9	175.5	-75.3	169.1	0	0	0	112.7	A55 R63	A55-L59 WeakPolarHBondContact O-CB 3.34Å; A55-L59 WeakPolarHBondContact O-CG 3.35Å; A55-L59 PolarHBondContact O-N 2.78Å; L59-R63 WeakPolarHBondContact O-CB 3.43Å; L59-R63 PolarHBondContact O-N 3.15Å; L59-R63 VanDerWaalsContact O-N 3.09Å
60	R	84.1	Confident	83.4	Confident	72 Å²	72	77.5 Å²	77.5	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-70.2	-38.7	177.7	-174.9	59.1	179.1	149.7	0.5	111.7	W56 A57 T58 G64 L160	W56-R60 WeakPolarHBondContact O-CB 3.48Å; W56-R60 PolarHBondContact O-N 2.96Å; A57-R60 PolarHBondContact O-N 3.29Å; T58-R60 PolarHBondContact O-N 2.73Å; R60-G64 PolarHBondContact O-N 3.37Å; R60-G64 VanDerWaalsContact O-N 3.07Å; R60-L160 HydrophobicContact CB-CD2 4.46Å; R60-L160 HydrophobicContact CG-CD1 4.24Å; R60-L160 HydrophobicContact CG-CD2 4.45Å; R60-L160 HydrophobicContact CG-CG 4.44Å
61	M	80.2	Confident	82	Confident	5 Å²	5	84.6 Å²	84.6	3%	0.025	40%	0.399	C	S	.	.	H	α-helix	trans	-62.7	-51.1	174.5	-68.3	179.5	36.3	0	0	110.2	A57 T58 R63 G64 A65 L72 W143 I156 L160	A57-M61 VanDerWaalsContact O-CG 3.31Å; A57-M61 WeakPolarHBondContact O-CG 3.41Å; A57-M61 PolarHBondContact O-N 3.44Å; T58-M61 WeakPolarHBondContact O-CA 3.38Å; T58-M61 WeakPolarHBondContact O-CB 3.39Å; T58-M61 PolarHBondContact O-N 2.77Å; M61-R63 VanDerWaalsContact C-N 3.3Å; M61-R63 PolarHBondContact O-N 2.97Å; M61-G64 CarbonylContact O-C 3.6Å; M61-G64 WeakPolarHBondContact O-CA 3.35Å; M61-G64 PolarHBondContact O-N 2.85Å; M61-A65 PolarHBondContact O-N 2.91Å; M61-L72 HydrophobicContact CB-CD1 3.74Å; M61-L72 HydrophobicContact CB-CD2 4.35Å; M61-L72 HydrophobicContact CE-CD2 3.53Å; M61-L72 WeakPolarHBondContact O-CD1 3.46Å; M61-W143 HydrophobicContact CE-CB 3.83Å; M61-W143 HydrophobicContact CE-CG 4.22Å; M61-W143 HydrophobicContact SD-CB 3.26Å; M61-W143 WeakPolarHBondContact SD-CB 3.32Å; M61-W143 HydrophobicContact SD-CD2 3.58Å; M61-W143 VanDerWaalsContact SD-CD2 3.58Å; M61-W143 HydrophobicContact SD-CE3 3.53Å; M61-W143 VanDerWaalsContact SD-CE3 3.53Å; M61-W143 HydrophobicContact SD-CG 3.5Å; M61-I156 HydrophobicContact CB-CD1 4.02Å; M61-I156 HydrophobicContact CE-CD1 3.42Å; M61-I156 VanDerWaalsContact CE-CD1 3.42Å; M61-I156 HydrophobicContact CG-CD1 3.42Å; M61-I156 VanDerWaalsContact CG-CD1 3.42Å; M61-I156 HydrophobicContact CG-CG2 4.23Å; M61-I156 HydrophobicContact SD-CD1 3.59Å; M61-I156 VanDerWaalsContact SD-CD1 3.59Å; M61-L160 HydrophobicContact CG-CD1 3.73Å
62	E	82.5	Confident	80.7	Confident	84 Å²	84	84.2 Å²	84.2	39%	0.393	40%	0.397	S	S	.	.	H	α-helix	trans	-53.6	-46.4	178.4	-71.5	174.1	171.9	0	0	112	T58 G64 A65 K66 L72 Y73	T58-E62 WeakPolarHBondContact O-CG 3.42Å; T58-E62 PolarHBondContact O-N 2.73Å; E62-G64 PolarHBondContact O-N 3.49Å; E62-A65 PolarHBondContact O-N 2.84Å; E62-K66 WeakPolarHBondContact O-CB 3.35Å; E62-K66 PolarHBondContact O-N 2.93Å; E62-L72 VanDerWaalsContact CA-CD1 3.49Å; E62-L72 HydrophobicContact CG-CD1 4.46Å; E62-L72 VanDerWaalsContact N-CD1 3.33Å; E62-Y73 HydrophobicContact CG-CE2 4.26Å
63	R	82.6	Confident	79.3	Confident	150 Å²	150	79.7 Å²	79.7	57%	0.566	38%	0.376	S	S	*	.	H	α-helix	trans	-60.8	-45.4	175.7	-165.2	-175.8	-56.9	-178.3	-1.7	112	L59 M61 A65 K66 E67	L59-R63 WeakPolarHBondContact O-CB 3.43Å; L59-R63 PolarHBondContact O-N 3.15Å; L59-R63 VanDerWaalsContact O-N 3.09Å; M61-R63 VanDerWaalsContact C-N 3.3Å; M61-R63 PolarHBondContact O-N 2.97Å; R63-A65 VanDerWaalsContact C-N 3.34Å; R63-A65 PolarHBondContact O-N 2.91Å; R63-K66 PolarHBondContact O-N 2.73Å; R63-E67 WeakPolarHBondContact CG-OE1 3.41Å; R63-E67 VanDerWaalsContact O-CG 3.31Å; R63-E67 WeakPolarHBondContact O-CG 3.35Å; R63-E67 PolarHBondContact O-N 3.4Å
64	G	78.9	Confident	77.7	Confident	12 Å²	12	85.3 Å²	85.3	12%	0.124	40%	0.398	C	S	.	.	H	α-helix	trans	-66.1	-33.5	179.6	0	0	0	0	0	113.5	R60 M61 E62 K68	R60-G64 PolarHBondContact O-N 3.37Å; R60-G64 VanDerWaalsContact O-N 3.07Å; M61-G64 CarbonylContact O-C 3.6Å; M61-G64 WeakPolarHBondContact O-CA 3.35Å; M61-G64 PolarHBondContact O-N 2.85Å; E62-G64 PolarHBondContact O-N 3.49Å; G64-K68 WeakPolarHBondContact O-CB 3.39Å; G64-K68 WeakPolarHBondContact O-CG 3.32Å; G64-K68 PolarHBondContact O-N 2.75Å
65	A	78.7	Confident	75.7	Confident	11 Å²	11	89.1 Å²	89.1	9%	0.091	42%	0.423	C	S	.	.	H	α-helix	trans	-74.3	-37.9	175.1	0	0	0	0	0	111.8	M61 E62 R63 E67 K68 N69 H70 L72	M61-A65 PolarHBondContact O-N 2.91Å; E62-A65 PolarHBondContact O-N 2.84Å; R63-A65 VanDerWaalsContact C-N 3.34Å; R63-A65 PolarHBondContact O-N 2.91Å; A65-E67 VanDerWaalsContact C-N 3.35Å; A65-K68 CarbonylContact O-C 3.48Å; A65-K68 PolarHBondContact O-N 3.48Å; A65-K68 VanDerWaalsContact O-N 3.13Å; A65-N69 PolarHBondContact O-N 3.4Å; A65-H70 HydrophobicContact CB-CB 4.43Å; A65-H70 WeakPolarHBondContact CB-O 3.14Å; A65-H70 PolarHBondContact O-N 3.46Å; A65-L72 HydrophobicContact CB-CB 3.94Å; A65-L72 HydrophobicContact CB-CD1 3.33Å; A65-L72 HydrophobicContact CB-CG 3.71Å
66	K	80	Confident	73.7	Confident	174 Å²	174	93.6 Å²	93.6	76%	0.757	43%	0.43	S	S	*	.	H	α-helix	trans	-60.1	-43.7	171.5	-171.5	177.1	-178.2	177.3	0	111.7	E62 R63 K68 N69	E62-K66 WeakPolarHBondContact O-CB 3.35Å; E62-K66 PolarHBondContact O-N 2.93Å; R63-K66 PolarHBondContact O-N 2.73Å; K66-K68 PolarHBondContact O-N 2.83Å; K66-N69 PolarHBondContact O-N 3.27Å
67	E	80.3	Confident	71.6	Confident	129 Å²	129	91 Å²	91	60%	0.603	43%	0.428	S	S	*	.	H	α-helix	trans	-61.6	-30.9	175.1	-74.1	166.6	-166.6	0	0	112.5	R63 A65	R63-E67 WeakPolarHBondContact CG-OE1 3.41Å; R63-E67 VanDerWaalsContact O-CG 3.31Å; R63-E67 WeakPolarHBondContact O-CG 3.35Å; R63-E67 PolarHBondContact O-N 3.4Å; A65-E67 VanDerWaalsContact C-N 3.35Å
68	K	76.4	Confident	69.8	Low	143 Å²	143	96.6 Å²	96.6	62%	0.622	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	5.5	-177.8	-69.1	179.7	178.9	-178.5	0	114.5	G64 A65 K66 H70	G64-K68 WeakPolarHBondContact O-CB 3.39Å; G64-K68 WeakPolarHBondContact O-CG 3.32Å; G64-K68 PolarHBondContact O-N 2.75Å; A65-K68 CarbonylContact O-C 3.48Å; A65-K68 PolarHBondContact O-N 3.48Å; A65-K68 VanDerWaalsContact O-N 3.13Å; K66-K68 PolarHBondContact O-N 2.83Å; K68-H70 HydrophobicContact CB-CB 4.39Å; K68-H70 PolarHBondContact O-N 2.78Å; K68-H70 VanDerWaalsContact O-N 3.16Å
69	N	73.5	Confident	68.2	Low	160 Å²	160	98 Å²	98	86%	0.856	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	36.9	-170.2	-71	-37.6	0	0	0	113.4	A65 K66	A65-N69 PolarHBondContact O-N 3.4Å; K66-N69 PolarHBondContact O-N 3.27Å
70	H	71.1	Confident	67	Low	101 Å²	101	98.1 Å²	98.1	47%	0.468	48%	0.476	S	S	.	.			trans	-103.1	138.8	-179.9	-164	72	0	0	0	110.3	A65 K68 L72	A65-H70 HydrophobicContact CB-CB 4.43Å; A65-H70 WeakPolarHBondContact CB-O 3.14Å; A65-H70 PolarHBondContact O-N 3.46Å; K68-H70 HydrophobicContact CB-CB 4.39Å; K68-H70 PolarHBondContact O-N 2.78Å; K68-H70 VanDerWaalsContact O-N 3.16Å; H70-L72 PolarHBondContact O-N 3.26Å
71	Q	63.3	Low	65.7	Low	153 Å²	153	97 Å²	97	72%	0.715	47%	0.474	S	S	*	.			trans	-79	118.7	171.3	-71.9	-175.8	-0.3	0	0	109.4
72	L	61.4	Low	64.6	Low	50 Å²	50	100.8 Å²	100.8	26%	0.262	51%	0.507	S	S	.	.			trans	-81.9	-35.3	-176.8	-133.6	161.3	0	0	0	112.5	M61 E62 A65 H70	M61-L72 HydrophobicContact CB-CD1 3.74Å; M61-L72 HydrophobicContact CB-CD2 4.35Å; M61-L72 HydrophobicContact CE-CD2 3.53Å; M61-L72 WeakPolarHBondContact O-CD1 3.46Å; E62-L72 VanDerWaalsContact CA-CD1 3.49Å; E62-L72 HydrophobicContact CG-CD1 4.46Å; E62-L72 VanDerWaalsContact N-CD1 3.33Å; A65-L72 HydrophobicContact CB-CB 3.94Å; A65-L72 HydrophobicContact CB-CD1 3.33Å; A65-L72 HydrophobicContact CB-CG 3.71Å; H70-L72 PolarHBondContact O-N 3.26Å
73	Y	63.1	Low	63.6	Low	70 Å²	70	102.1 Å²	102.1	28%	0.275	51%	0.511	S	S	.	.	S	Bend	trans	-115.3	136.7	-179.8	-54.7	-56.8	0	0	0	109	T58 E62 E141	T58-Y73 WeakPolarHBondContact CG2-OH 3.33Å; E62-Y73 HydrophobicContact CG-CE2 4.26Å; Y73-E141 HydrophobicContact CD1-CB 4.3Å; Y73-E141 HydrophobicContact CE1-CB 4.24Å; Y73-E141 WeakPolarHBondContact CE1-O 3.44Å; Y73-E141 PolarHBondContact OH-O 2.8Å
74	K	55.9	Low	62.7	Low	171 Å²	171	100.9 Å²	100.9	74%	0.743	52%	0.516	S	S	*	.			trans	-68.3	127.7	162.8	-78	-173.2	175.1	-176.5	0	106.8	Y76	K74-Y76 PolarHBondContact O-N 3.26Å; K74-Y76 VanDerWaalsContact O-N 3.11Å
75	P	46.7	Very low	61.7	Low	86 Å²	86	106.8 Å²	106.8	56%	0.558	55%	0.552	S	S	*	*			trans	-59	120.7	171.4	23	-30.2	0	0	0	108.5	T77	P75-T77 VanDerWaalsContact C-N 3.32Å; P75-T77 HydrophobicContact CB-CG2 4.18Å; P75-T77 HydrophobicContact CG-CG2 4.48Å; P75-T77 PolarHBondContact O-N 3.06Å; P75-T77 PolarHBondContact O-OG1 3.49Å
76	Y	46	Very low	61.3	Low	147 Å²	147	109 Å²	109	58%	0.576	56%	0.564	S	S	*	*			trans	-65.3	96.8	171.7	-130.4	-87.1	0	0	0	107	K74	K74-Y76 PolarHBondContact O-N 3.26Å; K74-Y76 VanDerWaalsContact O-N 3.11Å
77	T	45	Very low	61.2	Low	72 Å²	72	103.2 Å²	103.2	44%	0.442	55%	0.546	S	S	.	.			trans	-104.5	81.7	-177.2	39.4	0	0	0	0	107.8	P75 G79 I80	P75-T77 VanDerWaalsContact C-N 3.32Å; P75-T77 HydrophobicContact CB-CG2 4.18Å; P75-T77 HydrophobicContact CG-CG2 4.48Å; P75-T77 PolarHBondContact O-N 3.06Å; P75-T77 PolarHBondContact O-OG1 3.49Å; T77-G79 PolarHBondContact O-N 3.29Å; T77-I80 HydrophobicContact CG2-CG1 4.4Å; T77-I80 WeakPolarHBondContact OG1-CD1 3.49Å; T77-I80 WeakPolarHBondContact OG1-CG1 3.39Å
78	N	46.6	Very low	61.2	Low	118 Å²	118	98.3 Å²	98.3	63%	0.631	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	124.8	157.3	-73.4	-20.4	0	0	0	106.4
79	G	51.4	Low	61.4	Low	45 Å²	45	95.8 Å²	95.8	46%	0.464	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	43.9	176.4	0	0	0	0	0	115.3	T77 I81 D128	T77-G79 PolarHBondContact O-N 3.29Å; G79-I81 PolarHBondContact O-N 2.85Å; G79-D128 PolarHBondContact N-OD1 3.47Å
80	I	58.6	Low	61.8	Low	107 Å²	107	93.2 Å²	93.2	55%	0.549	50%	0.497	S	S	.	.	S	Bend	trans	-55.6	-32.1	163.4	-62.6	174.6	0	0	0	110.3	T77 M127	T77-I80 HydrophobicContact CG2-CG1 4.4Å; T77-I80 WeakPolarHBondContact OG1-CD1 3.49Å; T77-I80 WeakPolarHBondContact OG1-CG1 3.39Å; I80-M127 HydrophobicContact CB-CE 3.73Å; I80-M127 HydrophobicContact CB-SD 3.63Å; I80-M127 HydrophobicContact CD1-CG 4.21Å; I80-M127 HydrophobicContact CD1-SD 3.8Å; I80-M127 HydrophobicContact CG1-SD 4.2Å; I80-M127 HydrophobicContact CG2-CE 4.32Å; I80-M127 HydrophobicContact CG2-SD 3.9Å
81	I	56.8	Low	62.3	Low	48 Å²	48	89.1 Å²	89.1	25%	0.246	48%	0.478	C	S	.	.	S	Bend	trans	-100.7	124.2	171.5	-71	165.4	0	0	0	108.5	G79 K83 E124 M127	G79-I81 PolarHBondContact O-N 2.85Å; I81-K83 PolarHBondContact O-N 3.3Å; I81-E124 HydrophobicContact CB-CG 4.38Å; I81-E124 HydrophobicContact CD1-CG 3.61Å; I81-E124 HydrophobicContact CG2-CG 4.02Å; I81-E124 WeakPolarHBondContact CG2-OE1 3.09Å; I81-M127 HydrophobicContact CB-CE 3.81Å; I81-M127 HydrophobicContact CD1-CE 3.4Å; I81-M127 HydrophobicContact CD1-SD 4.39Å; I81-M127 HydrophobicContact CG1-CE 3.49Å; I81-M127 VanDerWaalsContact CG1-CE 3.49Å
82	A	58.2	Low	63.2	Low	85 Å²	85	81.9 Å²	81.9	70%	0.702	44%	0.444	S	S	*	.			trans	-64	126.4	167.5	0	0	0	0	0	109.1
83	K	61.8	Low	64.2	Low	113 Å²	113	84.2 Å²	84.2	49%	0.491	45%	0.453	S	S	.	.			trans	-109.2	118	177.4	-65.6	-178.4	-177.7	172.8	0	108.6	I81 D128	I81-K83 PolarHBondContact O-N 3.3Å; K83-D128 WeakPolarHBondContact CE-OD2 3.48Å; K83-D128 IonicContact NZ-OD2 2.79Å; K83-D128 PolarHBondContact NZ-OD2 3.17Å
84	D	62.5	Low	65.1	Low	123 Å²	123	87.1 Å²	87.1	66%	0.658	47%	0.468	S	S	*	.			trans	-84.5	138	161.9	-70	-43.2	0	0	0	108.4	T86	D84-T86 HydrophobicContact CB-CG2 4.26Å; D84-T86 PolarHBondContact O-N 2.91Å; D84-T86 PolarHBondContact O-OG1 3.37Å
85	P	58.9	Low	66.3	Low	137 Å²	137	80.6 Å²	80.6	89%	0.89	44%	0.441	S	S	*	.			trans	-76	71.8	175.2	31.8	-33.1	0	0	0	109.2
86	T	69.3	Low	67.9	Low	56 Å²	56	78.2 Å²	78.2	34%	0.344	42%	0.421	S	S	.	.			trans	-105.2	149.6	177.3	38.8	0	0	0	0	110.6	D84 E91	D84-T86 HydrophobicContact CB-CG2 4.26Å; D84-T86 PolarHBondContact O-N 2.91Å; D84-T86 PolarHBondContact O-OG1 3.37Å; T86-E91 WeakPolarHBondContact OG1-CG 2.9Å; T86-E91 PolarHBondContact OG1-OE1 3.43Å
87	S	78.8	Confident	69.3	Low	54 Å²	54	81 Å²	81	38%	0.378	43%	0.431	S	S	.	.			trans	-73.9	156.1	178.1	63.7	0	0	0	0	111.4	E89 E90 E91	S87-E89 PolarHBondContact O-N 3.32Å; S87-E89 VanDerWaalsContact O-N 3.15Å; S87-E90 PolarHBondContact N-OE2 3.4Å; S87-E90 PolarHBondContact O-N 3.19Å; S87-E90 VanDerWaalsContact OG-CD 3.24Å; S87-E90 VanDerWaalsContact OG-CG 3.25Å; S87-E90 WeakPolarHBondContact OG-CG 3.42Å; S87-E90 PolarHBondContact OG-N 3.33Å; S87-E90 PolarHBondContact OG-OE2 2.89Å; S87-E91 PolarHBondContact O-N 3.39Å; S87-E91 VanDerWaalsContact O-N 3.07Å
88	L	80.7	Confident	70.5	Confident	26 Å²	26	82.6 Å²	82.6	14%	0.136	45%	0.445	C	S	.	.	H	α-helix	trans	-46.3	-43.8	172.3	170.6	69.1	0	0	0	111.9	I92 Y117 L441	L88-I92 HydrophobicContact CD1-CD1 3.53Å; L88-I92 HydrophobicContact CD1-CG1 4.31Å; L88-I92 HydrophobicContact CG-CD1 4.15Å; L88-I92 WeakPolarHBondContact O-CB 3.29Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 2.95Å; L88-I92 VanDerWaalsContact O-N 3.17Å; L88-Y117 HydrophobicContact CD1-CD1 3.81Å; L88-Y117 HydrophobicContact CD1-CE1 3.07Å; L88-Y117 HydrophobicContact CD1-CE2 4.03Å; L88-Y117 VanDerWaalsContact CD1-OH 3.3Å; L88-Y117 WeakPolarHBondContact CD1-OH 2.96Å; L88-L441 HydrophobicContact CD2-CB 3.83Å
89	E	79.5	Confident	71.2	Confident	90 Å²	90	80.1 Å²	80.1	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-67.8	-40.8	-178.6	-68.3	-174.8	-165.7	0	0	112.7	S87 K93 M445	S87-E89 PolarHBondContact O-N 3.32Å; S87-E89 VanDerWaalsContact O-N 3.15Å; E89-K93 VanDerWaalsContact O-CB 3.27Å; E89-K93 WeakPolarHBondContact O-CB 3.5Å; E89-K93 WeakPolarHBondContact O-CD 3.32Å; E89-K93 WeakPolarHBondContact O-CG 3.36Å; E89-K93 PolarHBondContact O-N 3.15Å; E89-K93 IonicContact OE2-NZ 3.46Å; E89-K93 PolarHBondContact OE2-NZ 2.86Å; E89-M445 HydrophobicContact CG-CG 4.46Å; E89-M445 HydrophobicContact CG-SD 4.37Å
90	E	81.9	Confident	71.6	Confident	106 Å²	106	80.9 Å²	80.9	50%	0.495	45%	0.445	S	S	.	.	H	α-helix	trans	-67.7	-46.4	-179.6	-74.8	164.7	151.8	0	0	111.3	S87 I92 K93 E94	S87-E90 PolarHBondContact N-OE2 3.4Å; S87-E90 PolarHBondContact O-N 3.19Å; S87-E90 VanDerWaalsContact OG-CD 3.24Å; S87-E90 VanDerWaalsContact OG-CG 3.25Å; S87-E90 WeakPolarHBondContact OG-CG 3.42Å; S87-E90 PolarHBondContact OG-N 3.33Å; S87-E90 PolarHBondContact OG-OE2 2.89Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 3.45Å; E90-K93 PolarHBondContact O-N 2.66Å; E90-E94 WeakPolarHBondContact O-CB 3.34Å; E90-E94 PolarHBondContact O-N 3.38Å
91	E	82	Confident	71.3	Confident	15 Å²	15	81.9 Å²	81.9	7%	0.07	46%	0.462	C	S	.	.	H	α-helix	trans	-62.9	-42.2	179.5	-70.4	-170.1	-143.2	0	0	111.6	T86 S87 E94 I95 Y117 K121	T86-E91 WeakPolarHBondContact OG1-CG 2.9Å; T86-E91 PolarHBondContact OG1-OE1 3.43Å; S87-E91 PolarHBondContact O-N 3.39Å; S87-E91 VanDerWaalsContact O-N 3.07Å; E91-E94 PolarHBondContact O-N 3.13Å; E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.33Å; E91-I95 PolarHBondContact O-N 2.96Å; E91-Y117 HydrophobicContact CB-CD2 3.77Å; E91-Y117 HydrophobicContact CB-CE2 3.72Å; E91-Y117 HydrophobicContact CG-CE2 4.28Å; E91-Y117 WeakPolarHBondContact OE2-CE2 3.33Å; E91-K121 VanDerWaalsContact CD-NZ 3.3Å; E91-K121 WeakPolarHBondContact OE1-CE 3.48Å; E91-K121 IonicContact OE1-NZ 2.59Å; E91-K121 PolarHBondContact OE1-NZ 3.4Å; E91-K121 WeakPolarHBondContact OE2-CE 3.29Å; E91-K121 IonicContact OE2-NZ 2.64Å; E91-K121 PolarHBondContact OE2-NZ 3.5Å
92	I	82.8	Confident	71.2	Confident	0 Å²	0	87.9 Å²	87.9	0%	0	49%	0.486	C	S	.	.	H	α-helix	trans	-68.7	-42.7	177.8	-68.1	178.2	0	0	0	110.9	L88 E90 E94 I95 R96 D114 Y117 Y442 M445	L88-I92 HydrophobicContact CD1-CD1 3.53Å; L88-I92 HydrophobicContact CD1-CG1 4.31Å; L88-I92 HydrophobicContact CG-CD1 4.15Å; L88-I92 WeakPolarHBondContact O-CB 3.29Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 2.95Å; L88-I92 VanDerWaalsContact O-N 3.17Å; E90-I92 VanDerWaalsContact C-N 3.35Å; E90-I92 PolarHBondContact O-N 3.45Å; I92-E94 VanDerWaalsContact C-N 3.26Å; I92-E94 PolarHBondContact O-N 3.35Å; I92-I95 PolarHBondContact O-N 3.31Å; I92-R96 HydrophobicContact CG2-CG 4.32Å; I92-R96 VanDerWaalsContact O-CG 3.31Å; I92-R96 WeakPolarHBondContact O-CG 3.07Å; I92-R96 PolarHBondContact O-N 3.09Å; I92-D114 WeakPolarHBondContact CG2-OD1 3.4Å; I92-Y117 HydrophobicContact CD1-CD1 3.97Å; I92-Y117 HydrophobicContact CD1-CE1 4.49Å; I92-Y117 HydrophobicContact CD1-CG 4.05Å; I92-Y117 HydrophobicContact CG1-CD1 4.15Å; I92-Y117 HydrophobicContact CG1-CD2 3.92Å; I92-Y117 HydrophobicContact CG1-CG 3.69Å; I92-Y442 HydrophobicContact CD1-CD2 3.9Å; I92-Y442 HydrophobicContact CD1-CE2 3.82Å; I92-M445 HydrophobicContact CB-CE 4.18Å; I92-M445 HydrophobicContact CB-SD 4.08Å; I92-M445 HydrophobicContact CD1-CE 3.72Å; I92-M445 HydrophobicContact CD1-SD 4.24Å; I92-M445 HydrophobicContact CG2-CE 3.65Å; I92-M445 HydrophobicContact CG2-SD 4Å
93	K	81.6	Confident	70.9	Confident	100 Å²	100	88.3 Å²	88.3	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-58.6	-38.5	174.7	-77.8	167.6	-175.5	161.2	0	111.9	E89 E90 R97	E89-K93 VanDerWaalsContact O-CB 3.27Å; E89-K93 WeakPolarHBondContact O-CB 3.5Å; E89-K93 WeakPolarHBondContact O-CD 3.32Å; E89-K93 WeakPolarHBondContact O-CG 3.36Å; E89-K93 PolarHBondContact O-N 3.15Å; E89-K93 IonicContact OE2-NZ 3.46Å; E89-K93 PolarHBondContact OE2-NZ 2.86Å; E90-K93 PolarHBondContact O-N 2.66Å; K93-R97 WeakPolarHBondContact O-CB 3.47Å; K93-R97 VanDerWaalsContact O-CG 3.27Å; K93-R97 WeakPolarHBondContact O-CG 3.33Å; K93-R97 PolarHBondContact O-N 2.83Å
94	E	81.9	Confident	70.4	Confident	130 Å²	130	90.4 Å²	90.4	61%	0.607	51%	0.506	S	S	*	.	H	α-helix	trans	-66.8	-44.5	176.8	-170.2	175	-173.7	0	0	112	E90 E91 I92 R96 R97 S98	E90-E94 WeakPolarHBondContact O-CB 3.34Å; E90-E94 PolarHBondContact O-N 3.38Å; E91-E94 PolarHBondContact O-N 3.13Å; I92-E94 VanDerWaalsContact C-N 3.26Å; I92-E94 PolarHBondContact O-N 3.35Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 3.31Å; E94-R97 PolarHBondContact O-N 3.35Å; E94-S98 PolarHBondContact O-N 2.91Å
95	I	81	Confident	69.8	Low	34 Å²	34	91 Å²	91	17%	0.174	51%	0.509	C	S	.	.	H	α-helix	trans	-58	-47.1	175.1	-71.1	163.8	0	0	0	110.5	E91 I92 R97 S98 G99 Y117	E91-I95 VanDerWaalsContact O-CG1 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.33Å; E91-I95 PolarHBondContact O-N 2.96Å; I92-I95 PolarHBondContact O-N 3.31Å; I95-R97 PolarHBondContact O-N 2.94Å; I95-S98 PolarHBondContact O-N 2.85Å; I95-S98 PolarHBondContact O-OG 3.3Å; I95-G99 PolarHBondContact O-N 3.01Å; I95-Y117 HydrophobicContact CD1-CD2 4.44Å
96	R	80.1	Confident	69.7	Low	37 Å²	37	92.9 Å²	92.9	14%	0.14	51%	0.511	C	S	.	.	H	α-helix	trans	-61.4	-42.4	177.6	-65.3	179.7	179.7	-157.9	0.3	112.5	I92 E94 S98 G99 S100 E109 E111 D114	I92-R96 HydrophobicContact CG2-CG 4.32Å; I92-R96 VanDerWaalsContact O-CG 3.31Å; I92-R96 WeakPolarHBondContact O-CG 3.07Å; I92-R96 PolarHBondContact O-N 3.09Å; E94-R96 VanDerWaalsContact C-N 3.34Å; E94-R96 PolarHBondContact O-N 3.31Å; R96-S98 VanDerWaalsContact C-N 3.31Å; R96-S98 PolarHBondContact O-N 2.59Å; R96-G99 PolarHBondContact O-N 3.25Å; R96-S100 PolarHBondContact O-N 3.07Å; R96-E109 PolarHBondContact NH1-O 2.59Å; R96-E109 PolarHBondContact NH2-O 2.64Å; R96-E111 WeakPolarHBondContact CD-OE1 3.33Å; R96-E111 HydrophobicContact CG-CG 4.48Å; R96-E111 WeakPolarHBondContact CG-OE2 3.31Å; R96-D114 IonicContact CZ-OD1 3.4Å; R96-D114 IonicContact CZ-OD2 3.4Å; R96-D114 IonicContact NE-OD1 2.66Å; R96-D114 PolarHBondContact NE-OD1 2.91Å; R96-D114 IonicContact NE-OD2 3.64Å; R96-D114 IonicContact NH2-OD1 3.56Å; R96-D114 PolarHBondContact NH2-OD1 3.4Å; R96-D114 IonicContact NH2-OD2 2.78Å; R96-D114 PolarHBondContact NH2-OD2 3.16Å
97	R	75.6	Confident	69.2	Low	206 Å²	206	94 Å²	94	78%	0.777	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-35.2	175.2	-76.4	174	-178	175.6	1.8	113	K93 E94 I95 G99	K93-R97 WeakPolarHBondContact O-CB 3.47Å; K93-R97 VanDerWaalsContact O-CG 3.27Å; K93-R97 WeakPolarHBondContact O-CG 3.33Å; K93-R97 PolarHBondContact O-N 2.83Å; E94-R97 PolarHBondContact O-N 3.35Å; I95-R97 PolarHBondContact O-N 2.94Å; R97-G99 VanDerWaalsContact C-N 3.35Å
98	S	70	Confident	68.5	Low	104 Å²	104	93.5 Å²	93.5	73%	0.727	51%	0.514	S	S	*	.	H	α-helix	trans	-73.8	-25.5	179.9	74.9	0	0	0	0	113.5	E94 I95 R96	E94-S98 PolarHBondContact O-N 2.91Å; I95-S98 PolarHBondContact O-N 2.85Å; I95-S98 PolarHBondContact O-OG 3.3Å; R96-S98 VanDerWaalsContact C-N 3.31Å; R96-S98 PolarHBondContact O-N 2.59Å
99	G	62.8	Low	68.2	Low	66 Å²	66	98.6 Å²	98.6	68%	0.68	54%	0.537	S	S	*	.	H	α-helix	trans	-100.7	-16.1	-174.4	0	0	0	0	0	116	I95 R96 R97	I95-G99 PolarHBondContact O-N 3.01Å; R96-G99 PolarHBondContact O-N 3.25Å; R97-G99 VanDerWaalsContact C-N 3.35Å
100	S	59.1	Low	68.3	Low	61 Å²	61	100.1 Å²	100.1	43%	0.427	54%	0.542	S	S	.	.			trans	-117.1	124	-175.9	-177	0	0	0	0	112.5	R96 K102	R96-S100 PolarHBondContact O-N 3.07Å; S100-K102 VanDerWaalsContact C-N 3.25Å; S100-K102 PolarHBondContact O-N 3.4Å; S100-K102 PolarHBondContact OG-N 3.08Å
101	S	52.7	Low	68.4	Low	128 Å²	128	98.3 Å²	98.3	90%	0.895	53%	0.534	S	S	*	.			trans	-85.8	14.2	169	53.1	0	0	0	0	113.4
102	K	53	Low	68.5	Low	174 Å²	174	104 Å²	104	76%	0.757	56%	0.564	S	S	*	*			trans	-120.1	106.4	-178.2	-74.8	-173.5	176.4	-178.8	0	112.5	S100 L104	S100-K102 VanDerWaalsContact C-N 3.25Å; S100-K102 PolarHBondContact O-N 3.4Å; S100-K102 PolarHBondContact OG-N 3.08Å; K102-L104 PolarHBondContact O-N 3.36Å
103	A	52.6	Low	68.5	Low	95 Å²	95	105 Å²	105	79%	0.785	57%	0.571	S	S	*	*			trans	-65.4	104	145.4	0	0	0	0	0	108
104	L	51.7	Low	68.7	Low	157 Å²	157	100.3 Å²	100.3	82%	0.822	55%	0.551	S	S	*	*			trans	170.5	94.4	146.8	-117.4	72.8	0	0	0	109.3	K102	K102-L104 PolarHBondContact O-N 3.36Å
105	D	50.4	Low	69	Low	136 Å²	136	98.1 Å²	98.1	73%	0.727	54%	0.542	S	S	*	.				160.4	117.2	128.6	-96.6	-22	0	0	0	108	T107	D105-T107 PolarHBondContact O-N 2.91Å
106	N	57	Low	69.3	Low	175 Å²	175	103 Å²	103	94%	0.936	56%	0.562	S	S	*	*			trans	-73.6	18.4	-177	-80.8	-19.6	0	0	0	113	P108	N106-P108 VanDerWaalsContact O-CD 3.25Å; N106-P108 WeakPolarHBondContact O-CD 3.31Å
107	T	57.7	Low	69.6	Low	79 Å²	79	102.2 Å²	102.2	49%	0.485	56%	0.56	S	S	.	*			trans	-81.5	117	176.3	37.8	0	0	0	0	109.2	D105 E109	D105-T107 PolarHBondContact O-N 2.91Å; T107-E109 PolarHBondContact O-N 3.21Å
108	P	64.2	Low	70.2	Confident	45 Å²	45	96.5 Å²	96.5	29%	0.292	54%	0.541	S	S	.	.			trans	-68.4	81.6	176.8	23.9	-29.7	0	0	0	110.8	N106 M445 I446	N106-P108 VanDerWaalsContact O-CD 3.25Å; N106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-M445 WeakPolarHBondContact CB-O 3.3Å; P108-I446 WeakPolarHBondContact CB-O 3.4Å; P108-I446 VanDerWaalsContact CG-O 3.27Å; P108-I446 WeakPolarHBondContact CG-O 3.14Å; P108-I446 CarbonylContact O-C 3.48Å; P108-I446 WeakPolarHBondContact O-CA 3.29Å; P108-I446 WeakPolarHBondContact O-CG2 3.32Å
109	E	74.6	Confident	71.1	Confident	133 Å²	133	94.7 Å²	94.7	62%	0.621	53%	0.527	S	S	*	.			trans	-93.6	163.5	174.4	-65	-167.1	169.5	0	0	111.2	R96 T107	R96-E109 PolarHBondContact NH1-O 2.59Å; R96-E109 PolarHBondContact NH2-O 2.64Å; T107-E109 PolarHBondContact O-N 3.21Å
110	F	81.9	Confident	72.2	Confident	121 Å²	121	96.7 Å²	96.7	53%	0.531	51%	0.514	S	S	.	.			trans	-67.3	127.2	169	169.8	-97.5	0	0	0	109.2	D114 Y442 I446	F110-D114 HydrophobicContact CE2-CB 4.45Å; F110-Y442 WeakPolarHBondContact CD2-OH 3.5Å; F110-Y442 WeakPolarHBondContact CE2-OH 3.32Å; F110-I446 HydrophobicContact CB-CD1 4.32Å
111	E	83.2	Confident	73.5	Confident	68 Å²	68	96.2 Å²	96.2	32%	0.318	51%	0.505	S	S	.	.			trans	-108.7	141.9	170.1	-70.5	-174	-150.6	0	0	110.2	R96 S113 D114	R96-E111 WeakPolarHBondContact CD-OE1 3.33Å; R96-E111 HydrophobicContact CG-CG 4.48Å; R96-E111 WeakPolarHBondContact CG-OE2 3.31Å; E111-S113 VanDerWaalsContact CB-OG 3.3Å; E111-S113 WeakPolarHBondContact CB-OG 3.45Å; E111-S113 PolarHBondContact O-N 3.02Å; E111-S113 VanDerWaalsContact O-N 3.09Å; E111-S113 PolarHBondContact OE2-OG 2.81Å; E111-S113 VanDerWaalsContact OE2-OG 3.13Å; E111-D114 PolarHBondContact N-OD2 3.38Å; E111-D114 WeakPolarHBondContact O-CB 3Å; E111-D114 PolarHBondContact O-N 2.91Å
112	L	84	Confident	75.1	Confident	134 Å²	134	91.7 Å²	91.7	70%	0.702	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.5	176.2	-173.5	64.9	0	0	0	111.8	D114 I115	L112-D114 PolarHBondContact O-N 3.17Å; L112-I115 WeakPolarHBondContact O-CG2 3.49Å; L112-I115 PolarHBondContact O-N 2.77Å
113	S	84.2	Confident	76.7	Confident	23 Å²	23	89.1 Å²	89.1	16%	0.161	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26.3	175.8	60.2	0	0	0	0	113	E111 I115 F116	E111-S113 VanDerWaalsContact CB-OG 3.3Å; E111-S113 WeakPolarHBondContact CB-OG 3.45Å; E111-S113 PolarHBondContact O-N 3.02Å; E111-S113 VanDerWaalsContact O-N 3.09Å; E111-S113 PolarHBondContact OE2-OG 2.81Å; E111-S113 VanDerWaalsContact OE2-OG 3.13Å; S113-I115 PolarHBondContact O-N 3.5Å; S113-I115 VanDerWaalsContact O-N 3.14Å; S113-F116 WeakPolarHBondContact O-CB 3.42Å; S113-F116 WeakPolarHBondContact O-CD2 3.24Å; S113-F116 PolarHBondContact O-N 3.39Å
114	D	85.5	Confident	78.2	Confident	0 Å²	0	85 Å²	85	0%	0	44%	0.435	C	S	.	.	H	α-helix	trans	-60.6	-26.1	178.4	-60	-26.8	0	0	0	112.1	I92 R96 F110 E111 L112 F116 Y117 F118 Y442	I92-D114 WeakPolarHBondContact CG2-OD1 3.4Å; R96-D114 IonicContact CZ-OD1 3.4Å; R96-D114 IonicContact CZ-OD2 3.4Å; R96-D114 IonicContact NE-OD1 2.66Å; R96-D114 PolarHBondContact NE-OD1 2.91Å; R96-D114 IonicContact NE-OD2 3.64Å; R96-D114 IonicContact NH2-OD1 3.56Å; R96-D114 PolarHBondContact NH2-OD1 3.4Å; R96-D114 IonicContact NH2-OD2 2.78Å; R96-D114 PolarHBondContact NH2-OD2 3.16Å; F110-D114 HydrophobicContact CE2-CB 4.45Å; E111-D114 PolarHBondContact N-OD2 3.38Å; E111-D114 WeakPolarHBondContact O-CB 3Å; E111-D114 PolarHBondContact O-N 2.91Å; L112-D114 PolarHBondContact O-N 3.17Å; D114-F116 PolarHBondContact O-N 3.33Å; D114-Y117 WeakPolarHBondContact O-CB 3.46Å; D114-Y117 PolarHBondContact O-N 2.7Å; D114-F118 VanDerWaalsContact O-CD2 3.29Å; D114-F118 WeakPolarHBondContact O-CD2 3.47Å; D114-Y442 HydrophobicContact CB-CE2 4.24Å; D114-Y442 WeakPolarHBondContact CB-OH 3.24Å; D114-Y442 PolarHBondContact OD2-OH 3.26Å
115	I	87.4	Confident	79.6	Confident	84 Å²	84	82.1 Å²	82.1	43%	0.431	42%	0.424	S	S	.	.	H	α-helix	trans	-63	-30.5	177.8	-153.9	170.5	0	0	0	112.2	L112 S113 Y117 F118 C119	L112-I115 WeakPolarHBondContact O-CG2 3.49Å; L112-I115 PolarHBondContact O-N 2.77Å; S113-I115 PolarHBondContact O-N 3.5Å; S113-I115 VanDerWaalsContact O-N 3.14Å; I115-Y117 VanDerWaalsContact C-N 3.29Å; I115-Y117 PolarHBondContact O-N 3.02Å; I115-F118 PolarHBondContact O-N 3.28Å; I115-C119 WeakPolarHBondContact O-CB 3.41Å; I115-C119 PolarHBondContact O-N 3.03Å; I115-C119 PolarHBondContact O-SG 3.41Å; I115-C119 VanDerWaalsContact O-SG 3.35Å
116	F	86.7	Confident	81.2	Confident	136 Å²	136	82.3 Å²	82.3	60%	0.596	42%	0.424	S	S	*	.	H	α-helix	trans	-65.9	-34.5	-179.3	-70.5	-68.2	0	0	0	111.7	S113 D114 R120	S113-F116 WeakPolarHBondContact O-CB 3.42Å; S113-F116 WeakPolarHBondContact O-CD2 3.24Å; S113-F116 PolarHBondContact O-N 3.39Å; D114-F116 PolarHBondContact O-N 3.33Å; F116-R120 VanDerWaalsContact O-CB 3.22Å; F116-R120 WeakPolarHBondContact O-CB 3.44Å; F116-R120 PolarHBondContact O-N 2.9Å
117	Y	86.8	Confident	82.3	Confident	22 Å²	22	77.3 Å²	77.3	9%	0.086	40%	0.395	C	S	.	.	H	α-helix	trans	-57.3	-52.9	171.7	172	-92.6	0	0	0	110.6	L88 E91 I92 I95 D114 I115 C119 R120 K121	L88-Y117 HydrophobicContact CD1-CD1 3.81Å; L88-Y117 HydrophobicContact CD1-CE1 3.07Å; L88-Y117 HydrophobicContact CD1-CE2 4.03Å; L88-Y117 VanDerWaalsContact CD1-OH 3.3Å; L88-Y117 WeakPolarHBondContact CD1-OH 2.96Å; E91-Y117 HydrophobicContact CB-CD2 3.77Å; E91-Y117 HydrophobicContact CB-CE2 3.72Å; E91-Y117 HydrophobicContact CG-CE2 4.28Å; E91-Y117 WeakPolarHBondContact OE2-CE2 3.33Å; I92-Y117 HydrophobicContact CD1-CD1 3.97Å; I92-Y117 HydrophobicContact CD1-CE1 4.49Å; I92-Y117 HydrophobicContact CD1-CG 4.05Å; I92-Y117 HydrophobicContact CG1-CD1 4.15Å; I92-Y117 HydrophobicContact CG1-CD2 3.92Å; I92-Y117 HydrophobicContact CG1-CG 3.69Å; I95-Y117 HydrophobicContact CD1-CD2 4.44Å; D114-Y117 WeakPolarHBondContact O-CB 3.46Å; D114-Y117 PolarHBondContact O-N 2.7Å; I115-Y117 VanDerWaalsContact C-N 3.29Å; I115-Y117 PolarHBondContact O-N 3.02Å; Y117-C119 PolarHBondContact O-N 3.43Å; Y117-R120 PolarHBondContact O-N 3.45Å; Y117-K121 HydrophobicContact CD1-CG 4.24Å; Y117-K121 HydrophobicContact CD2-CG 4.32Å; Y117-K121 HydrophobicContact CE1-CG 3.71Å; Y117-K121 HydrophobicContact CE2-CD 4.22Å; Y117-K121 HydrophobicContact CE2-CG 3.85Å; Y117-K121 HydrophobicContact CG-CG 4.5Å; Y117-K121 WeakPolarHBondContact O-CG 3.44Å; Y117-K121 PolarHBondContact O-N 3.31Å; Y117-K121 WeakPolarHBondContact OH-CE 3.47Å
118	F	88.1	Confident	83.2	Confident	85 Å²	85	74.5 Å²	74.5	37%	0.373	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-38.5	-177.3	-63.3	-68.4	0	0	0	112.7	D114 I115 K121 G122 Y442	D114-F118 VanDerWaalsContact O-CD2 3.29Å; D114-F118 WeakPolarHBondContact O-CD2 3.47Å; I115-F118 PolarHBondContact O-N 3.28Å; F118-K121 PolarHBondContact O-N 3.05Å; F118-G122 PolarHBondContact O-N 3.32Å; F118-Y442 HydrophobicContact CE2-CD1 4.43Å; F118-Y442 HydrophobicContact CE2-CD2 4.06Å; F118-Y442 HydrophobicContact CE2-CE1 4.19Å; F118-Y442 AromaticContact CE2-CE2 3.8Å; F118-Y442 HydrophobicContact CE2-CE2 3.8Å; F118-Y442 HydrophobicContact CE2-CG 4.35Å; F118-Y442 AromaticContact CE2-CZ 3.86Å; F118-Y442 HydrophobicContact CZ-CD1 4.13Å; F118-Y442 AromaticContact CZ-CD2 3.62Å; F118-Y442 HydrophobicContact CZ-CD2 3.62Å; F118-Y442 HydrophobicContact CZ-CE1 4.34Å; F118-Y442 AromaticContact CZ-CE2 3.86Å; F118-Y442 HydrophobicContact CZ-CE2 3.86Å; F118-Y442 AromaticContact CZ-CG 3.74Å; F118-Y442 HydrophobicContact CZ-CG 3.74Å
119	C	88.9	Confident	84	Confident	67 Å²	67	74 Å²	74	45%	0.453	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-46.6	172.8	-73.1	0	0	0	0	111.3	I115 Y117 G122 M123	I115-C119 WeakPolarHBondContact O-CB 3.41Å; I115-C119 PolarHBondContact O-N 3.03Å; I115-C119 PolarHBondContact O-SG 3.41Å; I115-C119 VanDerWaalsContact O-SG 3.35Å; Y117-C119 PolarHBondContact O-N 3.43Å; C119-G122 PolarHBondContact O-N 2.99Å; C119-M123 WeakPolarHBondContact O-CG 3.5Å; C119-M123 PolarHBondContact O-N 3.36Å
120	R	87.1	Confident	84.2	Confident	108 Å²	108	72.8 Å²	72.8	41%	0.408	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-52.3	176	178.3	-177.5	173.4	176.1	1.8	111.2	F116 Y117 G122 M123 E124	F116-R120 VanDerWaalsContact O-CB 3.22Å; F116-R120 WeakPolarHBondContact O-CB 3.44Å; F116-R120 PolarHBondContact O-N 2.9Å; Y117-R120 PolarHBondContact O-N 3.45Å; R120-G122 VanDerWaalsContact C-N 3.28Å; R120-G122 PolarHBondContact O-N 3.09Å; R120-M123 PolarHBondContact O-N 3.4Å; R120-M123 VanDerWaalsContact O-N 3.15Å; R120-E124 HydrophobicContact CG-CG 4.38Å; R120-E124 WeakPolarHBondContact CG-OE1 3.07Å; R120-E124 IonicContact CZ-OE1 2.69Å; R120-E124 IonicContact NE-OE1 3.42Å; R120-E124 PolarHBondContact NE-OE1 3.46Å; R120-E124 IonicContact NH2-OE1 3.68Å; R120-E124 WeakPolarHBondContact O-CB 3.21Å; R120-E124 WeakPolarHBondContact O-CG 3.2Å; R120-E124 PolarHBondContact O-N 3.47Å
121	K	85.8	Confident	84.3	Confident	50 Å²	50	67.9 Å²	67.9	22%	0.217	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-37	177.7	-69.1	-57.3	179.7	-167.4	0	112.6	E91 Y117 F118 E124 T125	E91-K121 VanDerWaalsContact CD-NZ 3.3Å; E91-K121 WeakPolarHBondContact OE1-CE 3.48Å; E91-K121 IonicContact OE1-NZ 2.59Å; E91-K121 PolarHBondContact OE1-NZ 3.4Å; E91-K121 WeakPolarHBondContact OE2-CE 3.29Å; E91-K121 IonicContact OE2-NZ 2.64Å; E91-K121 PolarHBondContact OE2-NZ 3.5Å; Y117-K121 HydrophobicContact CD1-CG 4.24Å; Y117-K121 HydrophobicContact CD2-CG 4.32Å; Y117-K121 HydrophobicContact CE1-CG 3.71Å; Y117-K121 HydrophobicContact CE2-CD 4.22Å; Y117-K121 HydrophobicContact CE2-CG 3.85Å; Y117-K121 HydrophobicContact CG-CG 4.5Å; Y117-K121 WeakPolarHBondContact O-CG 3.44Å; Y117-K121 PolarHBondContact O-N 3.31Å; Y117-K121 WeakPolarHBondContact OH-CE 3.47Å; F118-K121 PolarHBondContact O-N 3.05Å; K121-E124 WeakPolarHBondContact CD-OE2 3.36Å; K121-E124 IonicContact NZ-OE2 3.71Å; K121-T125 WeakPolarHBondContact O-CB 3.18Å; K121-T125 PolarHBondContact O-N 2.86Å; K121-T125 PolarHBondContact O-OG1 3.17Å
122	G	87.1	Confident	84.4	Confident	34 Å²	34	68.9 Å²	68.9	35%	0.351	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-48.3	173.7	0	0	0	0	0	112.2	F118 C119 R120 T125 I126	F118-G122 PolarHBondContact O-N 3.32Å; C119-G122 PolarHBondContact O-N 2.99Å; R120-G122 VanDerWaalsContact C-N 3.28Å; R120-G122 PolarHBondContact O-N 3.09Å; G122-T125 PolarHBondContact O-N 2.71Å; G122-I126 WeakPolarHBondContact O-CG1 3.28Å; G122-I126 PolarHBondContact O-N 3.25Å
123	M	86	Confident	84.4	Confident	120 Å²	120	64.9 Å²	64.9	59%	0.591	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-44.6	175.7	-70.5	-172.6	-66.4	0	0	112.2	C119 R120 T125 I126 M127	C119-M123 WeakPolarHBondContact O-CG 3.5Å; C119-M123 PolarHBondContact O-N 3.36Å; R120-M123 PolarHBondContact O-N 3.4Å; R120-M123 VanDerWaalsContact O-N 3.15Å; M123-T125 VanDerWaalsContact C-N 3.3Å; M123-T125 PolarHBondContact O-N 2.69Å; M123-I126 PolarHBondContact O-N 3.05Å; M123-M127 WeakPolarHBondContact O-CB 3.47Å; M123-M127 PolarHBondContact O-N 2.92Å
124	E	84.4	Confident	84.6	Confident	8 Å²	8	65 Å²	65	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-42.6	175.4	-75.1	174.5	-175	0	0	111.4	I81 R120 K121 M127 D128	I81-E124 HydrophobicContact CB-CG 4.38Å; I81-E124 HydrophobicContact CD1-CG 3.61Å; I81-E124 HydrophobicContact CG2-CG 4.02Å; I81-E124 WeakPolarHBondContact CG2-OE1 3.09Å; R120-E124 HydrophobicContact CG-CG 4.38Å; R120-E124 WeakPolarHBondContact CG-OE1 3.07Å; R120-E124 IonicContact CZ-OE1 2.69Å; R120-E124 IonicContact NE-OE1 3.42Å; R120-E124 PolarHBondContact NE-OE1 3.46Å; R120-E124 IonicContact NH2-OE1 3.68Å; R120-E124 WeakPolarHBondContact O-CB 3.21Å; R120-E124 WeakPolarHBondContact O-CG 3.2Å; R120-E124 PolarHBondContact O-N 3.47Å; K121-E124 WeakPolarHBondContact CD-OE2 3.36Å; K121-E124 IonicContact NZ-OE2 3.71Å; E124-M127 PolarHBondContact O-N 2.86Å; E124-D128 WeakPolarHBondContact O-CB 3.21Å; E124-D128 PolarHBondContact O-N 3.26Å
125	T	81.4	Confident	84.7	Confident	97 Å²	97	65.7 Å²	65.7	60%	0.595	34%	0.335	S	S	*	.	H	α-helix	trans	-67.6	-36.7	179.2	-57	0	0	0	0	112.3	K121 G122 M123 D129	K121-T125 WeakPolarHBondContact O-CB 3.18Å; K121-T125 PolarHBondContact O-N 2.86Å; K121-T125 PolarHBondContact O-OG1 3.17Å; G122-T125 PolarHBondContact O-N 2.71Å; M123-T125 VanDerWaalsContact C-N 3.3Å; M123-T125 PolarHBondContact O-N 2.69Å; T125-D129 WeakPolarHBondContact O-CA 3.42Å; T125-D129 PolarHBondContact O-N 2.79Å
126	I	83.4	Confident	84.5	Confident	139 Å²	139	64.7 Å²	64.7	71%	0.713	34%	0.335	S	S	*	.	H	α-helix	trans	-68.1	-43.1	175.9	-69.6	165.7	0	0	0	110.4	G122 M123	G122-I126 WeakPolarHBondContact O-CG1 3.28Å; G122-I126 PolarHBondContact O-N 3.25Å; M123-I126 PolarHBondContact O-N 3.05Å
127	M	79	Confident	84.1	Confident	70 Å²	70	60.2 Å²	60.2	35%	0.345	32%	0.323	S	S	.	.	H	α-helix	trans	-74.9	-41.3	-175.1	-168	177	64.9	0	0	112.2	I80 I81 M123 E124 D129	I80-M127 HydrophobicContact CB-CE 3.73Å; I80-M127 HydrophobicContact CB-SD 3.63Å; I80-M127 HydrophobicContact CD1-CG 4.21Å; I80-M127 HydrophobicContact CD1-SD 3.8Å; I80-M127 HydrophobicContact CG1-SD 4.2Å; I80-M127 HydrophobicContact CG2-CE 4.32Å; I80-M127 HydrophobicContact CG2-SD 3.9Å; I81-M127 HydrophobicContact CB-CE 3.81Å; I81-M127 HydrophobicContact CD1-CE 3.4Å; I81-M127 HydrophobicContact CD1-SD 4.39Å; I81-M127 HydrophobicContact CG1-CE 3.49Å; I81-M127 VanDerWaalsContact CG1-CE 3.49Å; M123-M127 WeakPolarHBondContact O-CB 3.47Å; M123-M127 PolarHBondContact O-N 2.92Å; E124-M127 PolarHBondContact O-N 2.86Å; M127-D129 VanDerWaalsContact C-N 3.32Å; M127-D129 PolarHBondContact O-N 3.06Å
128	D	77.2	Confident	83.5	Confident	21 Å²	21	61.9 Å²	61.9	11%	0.112	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	40.5	175.2	-59.6	-49.8	0	0	0	111.2	G79 K83 E124 E130	G79-D128 PolarHBondContact N-OD1 3.47Å; K83-D128 WeakPolarHBondContact CE-OD2 3.48Å; K83-D128 IonicContact NZ-OD2 2.79Å; K83-D128 PolarHBondContact NZ-OD2 3.17Å; E124-D128 WeakPolarHBondContact O-CB 3.21Å; E124-D128 PolarHBondContact O-N 3.26Å; D128-E130 WeakPolarHBondContact O-CG 3.3Å; D128-E130 PolarHBondContact O-N 2.84Å
129	D	81.9	Confident	82.8	Confident	35 Å²	35	63.3 Å²	63.3	19%	0.187	34%	0.34	C	S	.	.			trans	-60.7	109.1	178.4	170.3	37.8	0	0	0	110.4	T125 M127 V131 T132 K133	T125-D129 WeakPolarHBondContact O-CA 3.42Å; T125-D129 PolarHBondContact O-N 2.79Å; M127-D129 VanDerWaalsContact C-N 3.32Å; M127-D129 PolarHBondContact O-N 3.06Å; D129-V131 PolarHBondContact OD1-N 2.49Å; D129-T132 PolarHBondContact OD1-N 3.09Å; D129-T132 VanDerWaalsContact OD2-CA 3.3Å; D129-T132 WeakPolarHBondContact OD2-CA 3.35Å; D129-T132 WeakPolarHBondContact OD2-CB 3.49Å; D129-T132 PolarHBondContact OD2-N 3.01Å; D129-T132 VanDerWaalsContact OD2-N 3.07Å; D129-T132 PolarHBondContact OD2-OG1 2.97Å; D129-K133 WeakPolarHBondContact O-CD 3.48Å; D129-K133 WeakPolarHBondContact O-CE 3.29Å; D129-K133 WeakPolarHBondContact O-CG 3.42Å; D129-K133 PolarHBondContact O-NZ 3.18Å; D129-K133 PolarHBondContact OD2-N 3.07Å
130	E	78.8	Confident	82	Confident	106 Å²	106	61.6 Å²	61.6	50%	0.495	33%	0.325	S	S	.	.	S	Bend	trans	-89.5	-15	179.3	-67.5	-172.2	162.4	0	0	113.2	D128 R134	D128-E130 WeakPolarHBondContact O-CG 3.3Å; D128-E130 PolarHBondContact O-N 2.84Å; E130-R134 WeakPolarHBondContact O-CG 3.21Å; E130-R134 PolarHBondContact O-NE 2.93Å; E130-R134 VanDerWaalsContact O-NE 3.09Å
131	V	83.9	Confident	81	Confident	19 Å²	19	62.6 Å²	62.6	12%	0.115	34%	0.335	C	S	.	.	S	Bend	trans	-108.2	-57.9	-165.9	-176.6	0	0	0	0	111.3	D129 K133 R134 F135 W421 L425	D129-V131 PolarHBondContact OD1-N 2.49Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.33Å; V131-R134 VanDerWaalsContact O-CB 3.29Å; V131-R134 WeakPolarHBondContact O-CB 3.48Å; V131-R134 WeakPolarHBondContact O-CG 3.49Å; V131-R134 PolarHBondContact O-N 2.93Å; V131-F135 HydrophobicContact CG1-CE2 4.01Å; V131-W421 HydrophobicContact CG1-CB 4.42Å; V131-W421 HydrophobicContact CG2-CB 4.14Å; V131-W421 HydrophobicContact CG2-CD2 3.93Å; V131-W421 HydrophobicContact CG2-CG 3.54Å; V131-L425 HydrophobicContact CG1-CB 4.34Å; V131-L425 HydrophobicContact CG1-CD1 4.14Å
132	T	84	Confident	80.3	Confident	89 Å²	89	61.3 Å²	61.3	55%	0.546	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-70.9	-31.7	-169.9	88	0	0	0	0	112	D129 R134 F135	D129-T132 PolarHBondContact OD1-N 3.09Å; D129-T132 VanDerWaalsContact OD2-CA 3.3Å; D129-T132 WeakPolarHBondContact OD2-CA 3.35Å; D129-T132 WeakPolarHBondContact OD2-CB 3.49Å; D129-T132 PolarHBondContact OD2-N 3.01Å; D129-T132 VanDerWaalsContact OD2-N 3.07Å; D129-T132 PolarHBondContact OD2-OG1 2.97Å; T132-R134 PolarHBondContact O-N 2.94Å; T132-R134 VanDerWaalsContact O-N 3.11Å; T132-F135 PolarHBondContact O-N 2.96Å
133	K	85.2	Confident	79.7	Confident	49 Å²	49	60.1 Å²	60.1	21%	0.213	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-55.4	-26.6	170	74.3	177.5	172.9	-138.5	0	113.8	D129 V131 F135 S136 N327	D129-K133 WeakPolarHBondContact O-CD 3.48Å; D129-K133 WeakPolarHBondContact O-CE 3.29Å; D129-K133 WeakPolarHBondContact O-CG 3.42Å; D129-K133 PolarHBondContact O-NZ 3.18Å; D129-K133 PolarHBondContact OD2-N 3.07Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.33Å; K133-F135 PolarHBondContact O-N 3.48Å; K133-S136 PolarHBondContact O-N 3.07Å; K133-N327 PolarHBondContact O-ND2 2.96Å
134	R	88.1	Confident	79.5	Confident	27 Å²	27	54.4 Å²	54.4	10%	0.102	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-74.3	-11.2	178.4	-48.6	-58.2	176.6	176.3	2.5	113.4	E130 V131 T132 N327 T329 S330 M332 L419	E130-R134 WeakPolarHBondContact O-CG 3.21Å; E130-R134 PolarHBondContact O-NE 2.93Å; E130-R134 VanDerWaalsContact O-NE 3.09Å; V131-R134 VanDerWaalsContact O-CB 3.29Å; V131-R134 WeakPolarHBondContact O-CB 3.48Å; V131-R134 WeakPolarHBondContact O-CG 3.49Å; V131-R134 PolarHBondContact O-N 2.93Å; T132-R134 PolarHBondContact O-N 2.94Å; T132-R134 VanDerWaalsContact O-N 3.11Å; R134-N327 WeakPolarHBondContact CA-ND2 3.42Å; R134-N327 WeakPolarHBondContact CA-OD1 3.37Å; R134-N327 WeakPolarHBondContact O-CB 3.31Å; R134-N327 VanDerWaalsContact O-CG 3.23Å; R134-N327 PolarHBondContact O-N 2.64Å; R134-N327 PolarHBondContact O-OD1 3.06Å; R134-T329 WeakPolarHBondContact CD-OG1 3.48Å; R134-T329 PolarHBondContact NH1-OG1 3.27Å; R134-S330 WeakPolarHBondContact CD-OG 3.24Å; R134-S330 WeakPolarHBondContact CG-OG 3.28Å; R134-M332 HydrophobicContact CB-CE 3.34Å; R134-M332 HydrophobicContact CG-CE 3.61Å; R134-L419 HydrophobicContact CG-CD1 3.89Å
135	F	87.2	Confident	79.4	Confident	14 Å²	14	54.2 Å²	54.2	6%	0.061	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-101.9	12.9	174.3	-51.7	-60	0	0	0	113.1	V131 T132 K133 T324 I326 M332 F360 N362 K426	V131-F135 HydrophobicContact CG1-CE2 4.01Å; T132-F135 PolarHBondContact O-N 2.96Å; K133-F135 PolarHBondContact O-N 3.48Å; F135-T324 HydrophobicContact CE1-CG2 4.41Å; F135-I326 HydrophobicContact CD1-CG2 4.1Å; F135-I326 HydrophobicContact CE1-CG2 3.72Å; F135-M332 HydrophobicContact CE1-CE 4.33Å; F135-M332 HydrophobicContact CZ-CE 4.09Å; F135-F360 VanDerWaalsContact C-CE1 3.43Å; F135-F360 WeakPolarHBondContact O-CE1 3.37Å; F135-F360 VanDerWaalsContact O-CZ 3.27Å; F135-F360 WeakPolarHBondContact O-CZ 3.22Å; F135-N362 PolarHBondContact O-ND2 2.89Å; F135-K426 HydrophobicContact CB-CD 4.49Å; F135-K426 HydrophobicContact CB-CG 4.14Å; F135-K426 HydrophobicContact CD1-CB 3.79Å; F135-K426 HydrophobicContact CD1-CD 3.71Å; F135-K426 HydrophobicContact CD1-CG 3.77Å; F135-K426 HydrophobicContact CD2-CB 4.04Å; F135-K426 HydrophobicContact CD2-CG 4.27Å; F135-K426 HydrophobicContact CE1-CB 3.72Å; F135-K426 HydrophobicContact CE1-CD 4.19Å; F135-K426 HydrophobicContact CE1-CG 4.21Å; F135-K426 HydrophobicContact CE2-CB 3.98Å; F135-K426 HydrophobicContact CG-CB 3.95Å; F135-K426 HydrophobicContact CG-CD 4.19Å; F135-K426 HydrophobicContact CG-CG 3.79Å; F135-K426 HydrophobicContact CZ-CB 3.82Å
136	S	83.4	Confident	79.5	Confident	62 Å²	62	49.7 Å²	49.7	43%	0.434	26%	0.26	S	S	.	.	S	Bend	trans	-116.8	156.6	174.5	-69.2	0	0	0	0	110.5	K133 N327	K133-S136 PolarHBondContact O-N 3.07Å; S136-N327 WeakPolarHBondContact O-CB 3.31Å; S136-N327 PolarHBondContact O-ND2 3.26Å
137	A	78.7	Confident	79.2	Confident	42 Å²	42	45.5 Å²	45.5	35%	0.347	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-57	141.6	176.8	0	0	0	0	0	110.5	E139 D358	A137-E139 PolarHBondContact O-N 2.77Å; A137-D358 WeakPolarHBondContact CB-OD2 3.49Å
138	E	74.5	Confident	79.2	Confident	57 Å²	57	45.3 Å²	45.3	27%	0.266	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-63.3	132.9	175.7	-177.2	172.9	-169.8	0	0	110.1	T329	E138-T329 HydrophobicContact CB-CG2 4.08Å; E138-T329 HydrophobicContact CG-CG2 3.71Å
139	E	72.3	Confident	78.9	Confident	116 Å²	116	45 Å²	45	54%	0.542	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-82	128	177.5	-64.8	-172.1	174.6	0	0	109.7	A137	A137-E139 PolarHBondContact O-N 2.77Å
140	L	71.4	Confident	78.1	Confident	30 Å²	30	45.1 Å²	45.1	16%	0.157	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-100	133.3	-179.7	-72.5	172	0	0	0	111.2	N144 P354	L140-N144 WeakPolarHBondContact CD1-ND2 3.23Å; L140-P354 HydrophobicContact CD1-CB 4.45Å; L140-P354 VanDerWaalsContact CD1-O 3.23Å; L140-P354 WeakPolarHBondContact CD1-O 3.38Å; L140-P354 HydrophobicContact CD2-CB 3.54Å; L140-P354 HydrophobicContact CD2-CG 3.53Å; L140-P354 HydrophobicContact CG-CB 4.26Å
141	E	67.4	Low	76.9	Confident	130 Å²	130	49.4 Å²	49.4	61%	0.607	25%	0.251	S	S	*	.	S	Bend	trans	-74	-31.3	166	-61.9	-178.9	171	0	0	111	Y73	Y73-E141 HydrophobicContact CD1-CB 4.3Å; Y73-E141 HydrophobicContact CE1-CB 4.24Å; Y73-E141 WeakPolarHBondContact CE1-O 3.44Å; Y73-E141 PolarHBondContact OH-O 2.8Å
142	S	71.6	Confident	75.5	Confident	23 Å²	23	53.5 Å²	53.5	16%	0.161	27%	0.272	C	S	.	.	S	Bend	trans	-86.6	144.2	178.2	62.6	0	0	0	0	112.9
143	W	73.5	Confident	74.1	Confident	8 Å²	8	53.8 Å²	53.8	3%	0.03	27%	0.267	C	S	.	.			trans	-87.9	119.6	171.4	-169.6	51.2	0	0	0	111.8	A57 T58 M61 L145 F153 L160 W164	A57-W143 HydrophobicContact CB-CE3 3.88Å; A57-W143 HydrophobicContact CB-CZ3 4.32Å; T58-W143 PolarHBondContact OG1-N 3.33Å; M61-W143 HydrophobicContact CE-CB 3.83Å; M61-W143 HydrophobicContact CE-CG 4.22Å; M61-W143 HydrophobicContact SD-CB 3.26Å; M61-W143 WeakPolarHBondContact SD-CB 3.32Å; M61-W143 HydrophobicContact SD-CD2 3.58Å; M61-W143 VanDerWaalsContact SD-CD2 3.58Å; M61-W143 HydrophobicContact SD-CE3 3.53Å; M61-W143 VanDerWaalsContact SD-CE3 3.53Å; M61-W143 HydrophobicContact SD-CG 3.5Å; W143-L145 HydrophobicContact CD2-CD2 4.1Å; W143-L145 HydrophobicContact CE3-CD2 3.63Å; W143-L145 HydrophobicContact CH2-CD2 3.33Å; W143-L145 HydrophobicContact CZ2-CD2 3.82Å; W143-L145 HydrophobicContact CZ3-CD2 3.2Å; W143-F153 HydrophobicContact CZ2-CD2 4.48Å; W143-F153 AromaticContact CZ2-CE2 3.81Å; W143-F153 HydrophobicContact CZ2-CE2 3.81Å; W143-L160 HydrophobicContact CE3-CD2 4.23Å; W143-L160 HydrophobicContact CH2-CB 4Å; W143-L160 HydrophobicContact CZ3-CB 3.7Å; W143-L160 HydrophobicContact CZ3-CD1 4.28Å; W143-L160 HydrophobicContact CZ3-CD2 3.64Å; W143-L160 HydrophobicContact CZ3-CG 4.04Å; W143-W164 HydrophobicContact CH2-CB 4.01Å; W143-W164 HydrophobicContact CZ2-CB 4.21Å; W143-W164 HydrophobicContact CZ2-CG 4.47Å
144	N	81.9	Confident	72.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.28	C	S	.	.			trans	-105.2	19.3	-177.5	64.1	3.6	0	0	0	113.5	F54 L140 L146 T149 Q355 W379	F54-N144 HydrophobicContact CD1-CB 4.48Å; F54-N144 HydrophobicContact CD2-CB 4.41Å; F54-N144 HydrophobicContact CE1-CB 4.32Å; F54-N144 WeakPolarHBondContact CE1-O 3.26Å; F54-N144 HydrophobicContact CE2-CB 4.24Å; F54-N144 HydrophobicContact CZ-CB 4.2Å; L140-N144 WeakPolarHBondContact CD1-ND2 3.23Å; N144-L146 PolarHBondContact O-N 3.49Å; N144-L146 VanDerWaalsContact O-N 3.09Å; N144-L146 WeakPolarHBondContact OD1-CB 3.31Å; N144-L146 PolarHBondContact OD1-N 3.07Å; N144-T149 PolarHBondContact ND2-OG1 3.19Å; N144-T149 PolarHBondContact OD1-OG1 3.01Å; N144-Q355 WeakPolarHBondContact CB-O 3.33Å; N144-Q355 PolarHBondContact ND2-O 3.44Å; N144-W379 VanDerWaalsContact O-CD1 3.23Å; N144-W379 PolarHBondContact O-NE1 2.93Å
145	L	82.8	Confident	71.9	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	30%	0.301	C	S	.	.	S	Bend	trans	61	15	-177.3	-48.7	174	0	0	0	114.6	I53 F54 W143 L163 W164 W379	I53-L145 HydrophobicContact CG2-CD1 3.93Å; F54-L145 HydrophobicContact CE1-CD1 4.39Å; F54-L145 HydrophobicContact CE1-CG 4.42Å; W143-L145 HydrophobicContact CD2-CD2 4.1Å; W143-L145 HydrophobicContact CE3-CD2 3.63Å; W143-L145 HydrophobicContact CH2-CD2 3.33Å; W143-L145 HydrophobicContact CZ2-CD2 3.82Å; W143-L145 HydrophobicContact CZ3-CD2 3.2Å; L145-L163 HydrophobicContact CD1-CD2 4.15Å; L145-L163 HydrophobicContact CD1-CG 3.96Å; L145-L163 HydrophobicContact CD2-CD2 4.06Å; L145-L163 HydrophobicContact CD2-CG 4.17Å; L145-W164 VanDerWaalsContact O-CD1 3.27Å; L145-W379 HydrophobicContact CB-CZ2 3.92Å; L145-W379 HydrophobicContact CD1-CH2 4.46Å; L145-W379 HydrophobicContact CD1-CZ2 3.72Å; L145-W379 HydrophobicContact CG-CZ2 4.43Å
146	L	83.8	Confident	70.9	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	31%	0.311	C	S	.	.			trans	-107.8	115.4	173.2	-57.4	176.8	0	0	0	109.5	N144 R148 T149 R171	N144-L146 PolarHBondContact O-N 3.49Å; N144-L146 VanDerWaalsContact O-N 3.09Å; N144-L146 WeakPolarHBondContact OD1-CB 3.31Å; N144-L146 PolarHBondContact OD1-N 3.07Å; L146-R148 PolarHBondContact O-N 3.38Å; L146-R148 VanDerWaalsContact O-N 3.1Å; L146-T149 WeakPolarHBondContact CB-OG1 3.48Å; L146-T149 PolarHBondContact O-N 3.29Å; L146-T149 PolarHBondContact O-OG1 3.15Å; L146-T149 VanDerWaalsContact O-OG1 3.11Å; L146-R171 VanDerWaalsContact CD2-CZ 3.46Å; L146-R171 VanDerWaalsContact CD2-NH1 3.27Å
147	S	76.8	Confident	70.8	Confident	51 Å²	51	61.7 Å²	61.7	36%	0.357	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.6	-178.4	-40.7	0	0	0	0	113.6	W164	S147-W164 PolarHBondContact OG-NE1 3.02Å
148	R	78.4	Confident	71.1	Confident	67 Å²	67	65.3 Å²	65.3	25%	0.253	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.1	-175.2	69.5	-175.5	177.1	-147	-4.2	114.8	L146 R374 T377 S378	L146-R148 PolarHBondContact O-N 3.38Å; L146-R148 VanDerWaalsContact O-N 3.1Å; R148-R374 VanDerWaalsContact CZ-O 3.26Å; R148-R374 PolarHBondContact NH1-O 3.38Å; R148-R374 PolarHBondContact NH2-O 2.78Å; R148-T377 PolarHBondContact NH1-OG1 3.26Å; R148-S378 PolarHBondContact NH2-OG 2.88Å
149	T	70.5	Confident	71.6	Confident	14 Å²	14	71.3 Å²	71.3	9%	0.086	33%	0.33	C	S	.	.	S	Bend	trans	-108.1	9.7	177.3	49.9	0	0	0	0	111.2	N144 L146 D358	N144-T149 PolarHBondContact ND2-OG1 3.19Å; N144-T149 PolarHBondContact OD1-OG1 3.01Å; L146-T149 WeakPolarHBondContact CB-OG1 3.48Å; L146-T149 PolarHBondContact O-N 3.29Å; L146-T149 PolarHBondContact O-OG1 3.15Å; L146-T149 VanDerWaalsContact O-OG1 3.11Å; T149-D358 HydrophobicContact CG2-CB 3.83Å
150	N	66.3	Low	72.1	Confident	38 Å²	38	66 Å²	66	20%	0.203	31%	0.305	C	S	.	.			trans	-131.5	120	175.9	-169.8	-45.3	0	0	0	108.2	N152	N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.45Å; N150-N152 PolarHBondContact OD1-N 2.95Å; N150-N152 VanDerWaalsContact OD1-N 3.12Å
151	Y	53.4	Low	72.8	Confident	196 Å²	196	66.6 Å²	66.6	77%	0.769	31%	0.311	S	S	*	.	S	Bend	trans	-72.7	-19.3	-172.4	-124.6	-93.7	0	0	0	113.2
152	N	54.7	Low	73.9	Confident	104 Å²	104	65 Å²	65	56%	0.556	31%	0.309	S	S	*	.			trans	-132.8	65.3	-173.8	-67.8	-37.8	0	0	0	110.5	N150 Q154	N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.45Å; N150-N152 PolarHBondContact OD1-N 2.95Å; N150-N152 VanDerWaalsContact OD1-N 3.12Å; N152-Q154 PolarHBondContact O-N 3.08Å
153	F	54.7	Low	74.8	Confident	96 Å²	96	65.9 Å²	65.9	42%	0.421	31%	0.312	S	S	.	.			trans	-64.9	91.2	169.6	-174.5	-97.8	0	0	0	109.5	W143	W143-F153 HydrophobicContact CZ2-CD2 4.48Å; W143-F153 AromaticContact CZ2-CE2 3.81Å; W143-F153 HydrophobicContact CZ2-CE2 3.81Å
154	Q	60.2	Low	75.6	Confident	105 Å²	105	69.1 Å²	69.1	49%	0.491	32%	0.324	S	S	.	.			trans	-91	145.5	166.2	-64.3	-169.5	2.7	0	0	108.3	N152 I156	N152-Q154 PolarHBondContact O-N 3.08Å; Q154-I156 WeakPolarHBondContact O-CG1 3.3Å; Q154-I156 PolarHBondContact O-N 3.23Å; Q154-I156 VanDerWaalsContact O-N 3.1Å
155	Y	66.3	Low	76	Confident	140 Å²	140	70.5 Å²	70.5	55%	0.549	34%	0.339	S	S	.	.			trans	-63.7	114.4	171	170.9	-97.4	0	0	0	109.3	L158 T161	Y155-L158 PolarHBondContact OH-N 2.82Å; Y155-T161 WeakPolarHBondContact CE2-OG1 3.47Å
156	I	67.2	Low	76.5	Confident	51 Å²	51	74.7 Å²	74.7	26%	0.262	36%	0.361	S	S	.	.			trans	-97.3	-51.5	-178.8	-62.4	170.2	0	0	0	110.7	M61 Q154 L160	M61-I156 HydrophobicContact CB-CD1 4.02Å; M61-I156 HydrophobicContact CE-CD1 3.42Å; M61-I156 VanDerWaalsContact CE-CD1 3.42Å; M61-I156 HydrophobicContact CG-CD1 3.42Å; M61-I156 VanDerWaalsContact CG-CD1 3.42Å; M61-I156 HydrophobicContact CG-CG2 4.23Å; M61-I156 HydrophobicContact SD-CD1 3.59Å; M61-I156 VanDerWaalsContact SD-CD1 3.59Å; Q154-I156 WeakPolarHBondContact O-CG1 3.3Å; Q154-I156 PolarHBondContact O-N 3.23Å; Q154-I156 VanDerWaalsContact O-N 3.1Å; I156-L160 HydrophobicContact CB-CD1 4.04Å; I156-L160 HydrophobicContact CG2-CD1 3.79Å
157	S	80.5	Confident	76.8	Confident	22 Å²	22	74.7 Å²	74.7	15%	0.154	36%	0.362	C	S	.	.			trans	-160.7	154.2	177.2	70.4	0	0	0	0	113.2	R159 L160 T161	S157-R159 VanDerWaalsContact C-N 3.29Å; S157-R159 PolarHBondContact O-N 3.03Å; S157-L160 PolarHBondContact O-N 3.04Å; S157-L160 WeakPolarHBondContact OG-CG 3.37Å; S157-L160 PolarHBondContact OG-N 2.92Å; S157-T161 PolarHBondContact O-N 3.15Å; S157-T161 PolarHBondContact O-OG1 2.86Å; S157-T161 VanDerWaalsContact O-OG1 3.14Å
158	L	84.4	Confident	77.6	Confident	118 Å²	118	74.3 Å²	74.3	62%	0.618	36%	0.357	S	S	*	.	H	α-helix	trans	-55.5	-41.8	176.7	-178.6	71.3	0	0	0	112.3	Y155 L160 T161 V162	Y155-L158 PolarHBondContact OH-N 2.82Å; L158-L160 PolarHBondContact O-N 3.38Å; L158-T161 WeakPolarHBondContact O-CB 3.42Å; L158-T161 PolarHBondContact O-N 2.77Å; L158-V162 HydrophobicContact CG-CG2 4.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.35Å; L158-V162 PolarHBondContact O-N 2.78Å
159	R	85.1	Confident	78.3	Confident	182 Å²	182	75.5 Å²	75.5	69%	0.687	37%	0.368	S	S	*	.	H	α-helix	trans	-62.3	-42.5	-179.9	-64.7	-176.5	-175.5	174.2	1.6	112.1	S157 V162 L163	S157-R159 VanDerWaalsContact C-N 3.29Å; S157-R159 PolarHBondContact O-N 3.03Å; R159-V162 PolarHBondContact O-N 2.86Å; R159-L163 WeakPolarHBondContact O-CB 3.49Å; R159-L163 PolarHBondContact O-N 3.02Å
160	L	83.8	Confident	79.3	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-68.2	-37.3	176.4	-69.2	173.1	0	0	0	111.1	W56 A57 R60 M61 W143 I156 S157 L158 L163 W164	W56-L160 HydrophobicContact CH2-CD2 4.33Å; W56-L160 HydrophobicContact CZ3-CD2 3.77Å; A57-L160 HydrophobicContact CB-CD2 3.99Å; R60-L160 HydrophobicContact CB-CD2 4.46Å; R60-L160 HydrophobicContact CG-CD1 4.24Å; R60-L160 HydrophobicContact CG-CD2 4.45Å; R60-L160 HydrophobicContact CG-CG 4.44Å; M61-L160 HydrophobicContact CG-CD1 3.73Å; W143-L160 HydrophobicContact CE3-CD2 4.23Å; W143-L160 HydrophobicContact CH2-CB 4Å; W143-L160 HydrophobicContact CZ3-CB 3.7Å; W143-L160 HydrophobicContact CZ3-CD1 4.28Å; W143-L160 HydrophobicContact CZ3-CD2 3.64Å; W143-L160 HydrophobicContact CZ3-CG 4.04Å; I156-L160 HydrophobicContact CB-CD1 4.04Å; I156-L160 HydrophobicContact CG2-CD1 3.79Å; S157-L160 PolarHBondContact O-N 3.04Å; S157-L160 WeakPolarHBondContact OG-CG 3.37Å; S157-L160 PolarHBondContact OG-N 2.92Å; L158-L160 PolarHBondContact O-N 3.38Å; L160-L163 PolarHBondContact O-N 2.91Å; L160-W164 WeakPolarHBondContact O-CB 3.48Å; L160-W164 PolarHBondContact O-N 3.19Å
161	T	86.7	Confident	80.6	Confident	44 Å²	44	76.5 Å²	76.5	27%	0.27	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-42.6	174.2	-56.3	0	0	0	0	112.1	Y155 S157 L158 W164 G165	Y155-T161 WeakPolarHBondContact CE2-OG1 3.47Å; S157-T161 PolarHBondContact O-N 3.15Å; S157-T161 PolarHBondContact O-OG1 2.86Å; S157-T161 VanDerWaalsContact O-OG1 3.14Å; L158-T161 WeakPolarHBondContact O-CB 3.42Å; L158-T161 PolarHBondContact O-N 2.77Å; T161-W164 PolarHBondContact O-N 3.07Å; T161-G165 PolarHBondContact O-N 3.38Å
162	V	90	Very high	82.6	Confident	96 Å²	96	72.3 Å²	72.3	58%	0.582	36%	0.355	S	S	*	.	H	α-helix	trans	-62.6	-44.8	174.8	170.5	0	0	0	0	110.7	L158 R159 W164 G165 L166	L158-V162 HydrophobicContact CG-CG2 4.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.35Å; L158-V162 PolarHBondContact O-N 2.78Å; R159-V162 PolarHBondContact O-N 2.86Å; V162-W164 VanDerWaalsContact C-N 3.34Å; V162-W164 PolarHBondContact O-N 3.11Å; V162-G165 PolarHBondContact O-N 3.32Å; V162-L166 PolarHBondContact O-N 2.86Å
163	L	89.9	Confident	84.3	Confident	41 Å²	41	71 Å²	71	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-61.8	-42.1	176.4	-179.6	63	0	0	0	112	I53 W56 L145 R159 L160 L166 G167	I53-L163 HydrophobicContact CG2-CD2 3.97Å; W56-L163 HydrophobicContact CE3-CD2 4.19Å; W56-L163 HydrophobicContact CZ3-CD2 3.74Å; L145-L163 HydrophobicContact CD1-CD2 4.15Å; L145-L163 HydrophobicContact CD1-CG 3.96Å; L145-L163 HydrophobicContact CD2-CD2 4.06Å; L145-L163 HydrophobicContact CD2-CG 4.17Å; R159-L163 WeakPolarHBondContact O-CB 3.49Å; R159-L163 PolarHBondContact O-N 3.02Å; L160-L163 PolarHBondContact O-N 2.91Å; L163-L166 PolarHBondContact O-N 2.97Å; L163-G167 PolarHBondContact O-N 3.16Å
164	W	89.7	Confident	86	Confident	76 Å²	76	72.8 Å²	72.8	29%	0.288	36%	0.361	S	S	.	.	H	α-helix	trans	-62	-45.6	174	171.5	87	0	0	0	111.7	W143 L145 S147 L160 T161 V162 L166 G167 V168	W143-W164 HydrophobicContact CH2-CB 4.01Å; W143-W164 HydrophobicContact CZ2-CB 4.21Å; W143-W164 HydrophobicContact CZ2-CG 4.47Å; L145-W164 VanDerWaalsContact O-CD1 3.27Å; S147-W164 PolarHBondContact OG-NE1 3.02Å; L160-W164 WeakPolarHBondContact O-CB 3.48Å; L160-W164 PolarHBondContact O-N 3.19Å; T161-W164 PolarHBondContact O-N 3.07Å; V162-W164 VanDerWaalsContact C-N 3.34Å; V162-W164 PolarHBondContact O-N 3.11Å; W164-L166 PolarHBondContact O-N 3.38Å; W164-G167 CarbonylContact O-C 3.49Å; W164-G167 WeakPolarHBondContact O-CA 3.26Å; W164-G167 PolarHBondContact O-N 2.86Å; W164-V168 HydrophobicContact CD2-CG2 4.11Å; W164-V168 HydrophobicContact CE3-CG2 4.42Å; W164-V168 HydrophobicContact CH2-CG2 4.1Å; W164-V168 HydrophobicContact CZ2-CG2 3.76Å; W164-V168 HydrophobicContact CZ3-CG2 4.42Å; W164-V168 WeakPolarHBondContact O-CG2 3.38Å; W164-V168 PolarHBondContact O-N 3.23Å
165	G	91.6	Very high	87.5	Confident	31 Å²	31	69.3 Å²	69.3	32%	0.32	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-43.2	177.8	0	0	0	0	0	112.4	T161 V162 G167 V168 L169	T161-G165 PolarHBondContact O-N 3.38Å; V162-G165 PolarHBondContact O-N 3.32Å; G165-G167 VanDerWaalsContact C-N 3.3Å; G165-G167 PolarHBondContact O-N 2.83Å; G165-V168 WeakPolarHBondContact O-CB 3.42Å; G165-V168 PolarHBondContact O-N 3.44Å; G165-L169 PolarHBondContact O-N 2.79Å
166	L	92	Very high	88.9	Confident	91 Å²	91	63.9 Å²	63.9	48%	0.476	33%	0.326	S	S	.	.	H	α-helix	trans	-60.5	-41.6	171.4	-179.1	63	0	0	0	111.3	V162 L163 W164 V168 L169 I170	V162-L166 PolarHBondContact O-N 2.86Å; L163-L166 PolarHBondContact O-N 2.97Å; W164-L166 PolarHBondContact O-N 3.38Å; L166-V168 VanDerWaalsContact C-N 3.33Å; L166-V168 PolarHBondContact O-N 2.92Å; L166-L169 HydrophobicContact CD1-CD2 4.48Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 3.12Å; L166-I170 HydrophobicContact CD1-CD1 4.24Å; L166-I170 HydrophobicContact CD1-CG1 4.44Å; L166-I170 HydrophobicContact CG-CD1 3.96Å; L166-I170 WeakPolarHBondContact O-CG1 3.36Å; L166-I170 PolarHBondContact O-N 3.39Å
167	G	91.7	Very high	90.2	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-63.6	-35.5	174.9	0	0	0	0	0	113.6	L163 W164 G165 R171 W379	L163-G167 PolarHBondContact O-N 3.16Å; W164-G167 CarbonylContact O-C 3.49Å; W164-G167 WeakPolarHBondContact O-CA 3.26Å; W164-G167 PolarHBondContact O-N 2.86Å; G165-G167 VanDerWaalsContact C-N 3.3Å; G165-G167 PolarHBondContact O-N 2.83Å; G167-R171 VanDerWaalsContact O-CB 3.31Å; G167-R171 WeakPolarHBondContact O-CB 3.2Å; G167-R171 WeakPolarHBondContact O-CG 3.13Å; G167-R171 PolarHBondContact O-N 3.3Å; G167-R171 PolarHBondContact O-NE 3.43Å; G167-R171 VanDerWaalsContact O-NE 3.12Å; G167-W379 VanDerWaalsContact CA-CH2 3.5Å
168	V	92.4	Very high	90.7	Very high	43 Å²	43	68.4 Å²	68.4	26%	0.261	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-49.5	171.3	172.3	0	0	0	0	110	W164 G165 L166 I170 R171 Y172	W164-V168 HydrophobicContact CD2-CG2 4.11Å; W164-V168 HydrophobicContact CE3-CG2 4.42Å; W164-V168 HydrophobicContact CH2-CG2 4.1Å; W164-V168 HydrophobicContact CZ2-CG2 3.76Å; W164-V168 HydrophobicContact CZ3-CG2 4.42Å; W164-V168 WeakPolarHBondContact O-CG2 3.38Å; W164-V168 PolarHBondContact O-N 3.23Å; G165-V168 WeakPolarHBondContact O-CB 3.42Å; G165-V168 PolarHBondContact O-N 3.44Å; L166-V168 VanDerWaalsContact C-N 3.33Å; L166-V168 PolarHBondContact O-N 2.92Å; V168-I170 PolarHBondContact O-N 3.47Å; V168-R171 PolarHBondContact O-N 3.01Å; V168-Y172 HydrophobicContact CG1-CD2 3.91Å; V168-Y172 HydrophobicContact CG1-CE2 4.31Å; V168-Y172 WeakPolarHBondContact O-CB 3.36Å; V168-Y172 VanDerWaalsContact O-CD2 3.3Å; V168-Y172 WeakPolarHBondContact O-CD2 3.48Å; V168-Y172 PolarHBondContact O-N 2.98Å
169	L	94	Very high	91.2	Very high	91 Å²	91	62.9 Å²	62.9	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-55.6	-49.7	178.1	-172.6	76.7	0	0	0	111.4	G165 L166 R171 C173	G165-L169 PolarHBondContact O-N 2.79Å; L166-L169 HydrophobicContact CD1-CD2 4.48Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 3.12Å; L169-R171 PolarHBondContact O-N 2.58Å; L169-C173 HydrophobicContact CD1-CB 4.46Å; L169-C173 WeakPolarHBondContact O-CB 3.49Å; L169-C173 PolarHBondContact O-N 2.93Å
170	I	91.6	Very high	91.7	Very high	63 Å²	63	58.1 Å²	58.1	32%	0.323	31%	0.31	S	S	.	.	I	π-helix	trans	-59.7	-48.5	178.7	-68.8	168.9	0	0	0	111.1	L166 V168 F174 L175	L166-I170 HydrophobicContact CD1-CD1 4.24Å; L166-I170 HydrophobicContact CD1-CG1 4.44Å; L166-I170 HydrophobicContact CG-CD1 3.96Å; L166-I170 WeakPolarHBondContact O-CG1 3.36Å; L166-I170 PolarHBondContact O-N 3.39Å; V168-I170 PolarHBondContact O-N 3.47Å; I170-F174 WeakPolarHBondContact O-CB 3.41Å; I170-F174 PolarHBondContact O-N 3.4Å; I170-L175 HydrophobicContact CG2-CD1 4.12Å; I170-L175 HydrophobicContact CG2-CG 4.21Å; I170-L175 PolarHBondContact O-N 3.13Å
171	R	93.4	Very high	92.1	Very high	10 Å²	10	60.4 Å²	60.4	4%	0.038	33%	0.33	C	S	.	.	I	π-helix	trans	-68.1	-40.6	-175.1	-72	178.6	-54.7	119	-5.7	112.5	L146 G167 V168 L169 L175 L176 T377 W379	L146-R171 VanDerWaalsContact CD2-CZ 3.46Å; L146-R171 VanDerWaalsContact CD2-NH1 3.27Å; G167-R171 VanDerWaalsContact O-CB 3.31Å; G167-R171 WeakPolarHBondContact O-CB 3.2Å; G167-R171 WeakPolarHBondContact O-CG 3.13Å; G167-R171 PolarHBondContact O-N 3.3Å; G167-R171 PolarHBondContact O-NE 3.43Å; G167-R171 VanDerWaalsContact O-NE 3.12Å; V168-R171 PolarHBondContact O-N 3.01Å; L169-R171 PolarHBondContact O-N 2.58Å; R171-L175 HydrophobicContact CG-CD1 4.18Å; R171-L176 VanDerWaalsContact O-CB 3.26Å; R171-L176 WeakPolarHBondContact O-CB 3.2Å; R171-L176 PolarHBondContact O-N 3.32Å; R171-T377 WeakPolarHBondContact CD-O 3.33Å; R171-T377 PolarHBondContact NH1-O 2.89Å; R171-W379 HydrophobicContact CG-CD2 4.45Å; R171-W379 HydrophobicContact CG-CE3 4.13Å; R171-W379 HydrophobicContact CG-CH2 4.5Å; R171-W379 HydrophobicContact CG-CZ3 4.16Å
172	Y	93.8	Very high	92.4	Very high	108 Å²	108	59.3 Å²	59.3	42%	0.424	32%	0.322	S	S	.	.	I	π-helix	trans	-92.9	-34.6	-172.4	-74.4	-99.9	0	0	0	113.5	V168 L176 P177 T377	V168-Y172 HydrophobicContact CG1-CD2 3.91Å; V168-Y172 HydrophobicContact CG1-CE2 4.31Å; V168-Y172 WeakPolarHBondContact O-CB 3.36Å; V168-Y172 VanDerWaalsContact O-CD2 3.3Å; V168-Y172 WeakPolarHBondContact O-CD2 3.48Å; V168-Y172 PolarHBondContact O-N 2.98Å; Y172-L176 HydrophobicContact CD1-CD2 4.16Å; Y172-P177 VanDerWaalsContact O-CD 3.32Å; Y172-P177 WeakPolarHBondContact O-CD 2.93Å; Y172-T377 HydrophobicContact CD1-CG2 4.19Å; Y172-T377 HydrophobicContact CE1-CG2 3.77Å; Y172-T377 HydrophobicContact CE2-CG2 4.33Å
173	C	92.3	Very high	92.7	Very high	76 Å²	76	55.4 Å²	55.4	51%	0.514	30%	0.3	S	S	.	.	I	π-helix	trans	-89.8	-25.2	-177.8	-58.7	0	0	0	0	113.2	L169	L169-C173 HydrophobicContact CD1-CB 4.46Å; L169-C173 WeakPolarHBondContact O-CB 3.49Å; L169-C173 PolarHBondContact O-N 2.93Å
174	F	89.8	Confident	92.9	Very high	135 Å²	135	60.6 Å²	60.6	59%	0.592	32%	0.321	S	S	*	.	I	π-helix	trans	-117.6	-56	-176.5	-59.1	-88.4	0	0	0	112.6	I170 L178	I170-F174 WeakPolarHBondContact O-CB 3.41Å; I170-F174 PolarHBondContact O-N 3.4Å; F174-L178 WeakPolarHBondContact O-CB 3.23Å; F174-L178 PolarHBondContact O-N 3.03Å
175	L	91.8	Very high	93.1	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.168	32%	0.315	C	S	.	.	I	π-helix	trans	-69.9	-46.4	-174.6	-61.8	179.1	0	0	0	112.2	I170 R171 L178 R179	I170-L175 HydrophobicContact CG2-CD1 4.12Å; I170-L175 HydrophobicContact CG2-CG 4.21Å; I170-L175 PolarHBondContact O-N 3.13Å; R171-L175 HydrophobicContact CG-CD1 4.18Å; L175-L178 PolarHBondContact O-N 2.73Å; L175-R179 VanDerWaalsContact O-CB 3.29Å; L175-R179 WeakPolarHBondContact O-CB 3.48Å; L175-R179 WeakPolarHBondContact O-CG 3.29Å; L175-R179 PolarHBondContact O-N 2.77Å
176	L	94.3	Very high	93.3	Very high	26 Å²	26	56.9 Å²	56.9	14%	0.136	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-49.3	-176.5	176.5	65.6	0	0	0	112.8	R171 Y172 L178 R179 I180 L373 M376 T377	R171-L176 VanDerWaalsContact O-CB 3.26Å; R171-L176 WeakPolarHBondContact O-CB 3.2Å; R171-L176 PolarHBondContact O-N 3.32Å; Y172-L176 HydrophobicContact CD1-CD2 4.16Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 2.95Å; L176-R179 PolarHBondContact O-N 2.81Å; L176-I180 HydrophobicContact CD1-CD1 3.84Å; L176-I180 HydrophobicContact CD1-CG1 4.04Å; L176-I180 HydrophobicContact CG-CD1 3.87Å; L176-I180 HydrophobicContact CG-CG1 4.46Å; L176-I180 WeakPolarHBondContact O-CG1 3Å; L176-I180 PolarHBondContact O-N 2.98Å; L176-L373 HydrophobicContact CD1-CD2 4.16Å; L176-M376 HydrophobicContact CD1-CB 3.78Å; L176-T377 HydrophobicContact CB-CG2 4.32Å; L176-T377 HydrophobicContact CD1-CG2 3.93Å; L176-T377 HydrophobicContact CD2-CG2 3.87Å; L176-T377 HydrophobicContact CG-CG2 4.26Å
177	P	94.5	Very high	93.4	Very high	68 Å²	68	55.1 Å²	55.1	44%	0.442	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-43.1	177.1	-25.9	36.2	0	0	0	112.5	Y172 R179 I180 A181	Y172-P177 VanDerWaalsContact O-CD 3.32Å; Y172-P177 WeakPolarHBondContact O-CD 2.93Å; P177-R179 VanDerWaalsContact C-N 3.34Å; P177-R179 PolarHBondContact O-N 3.48Å; P177-I180 PolarHBondContact O-N 2.9Å; P177-A181 WeakPolarHBondContact O-CB 3.45Å; P177-A181 PolarHBondContact O-N 3.27Å
178	L	91.8	Very high	93.6	Very high	100 Å²	100	57 Å²	57	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-59.5	-45.1	175.4	175.3	63	0	0	0	111.5	F174 L175 L176 A181 L182	F174-L178 WeakPolarHBondContact O-CB 3.23Å; F174-L178 PolarHBondContact O-N 3.03Å; L175-L178 PolarHBondContact O-N 2.73Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 2.95Å; L178-A181 PolarHBondContact O-N 2.89Å; L178-L182 HydrophobicContact CD1-CD1 4.33Å; L178-L182 HydrophobicContact CD1-CG 4.39Å; L178-L182 HydrophobicContact CG-CD1 4.17Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 2.82Å
179	R	94.8	Very high	93.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-65.9	-40.3	179.5	-74.6	176.5	175.1	165.1	0.3	112.2	L175 L176 P177 L182 A183 A224 T226 M376 S378 W379	L175-R179 VanDerWaalsContact O-CB 3.29Å; L175-R179 WeakPolarHBondContact O-CB 3.48Å; L175-R179 WeakPolarHBondContact O-CG 3.29Å; L175-R179 PolarHBondContact O-N 2.77Å; L176-R179 PolarHBondContact O-N 2.81Å; P177-R179 VanDerWaalsContact C-N 3.34Å; P177-R179 PolarHBondContact O-N 3.48Å; R179-L182 PolarHBondContact O-N 3.45Å; R179-A183 WeakPolarHBondContact O-CB 3.48Å; R179-A183 PolarHBondContact O-N 3.11Å; R179-A224 WeakPolarHBondContact CB-O 3.35Å; R179-A224 VanDerWaalsContact CD-O 3.26Å; R179-A224 WeakPolarHBondContact CD-O 3.28Å; R179-A224 WeakPolarHBondContact CG-O 3.33Å; R179-A224 WeakPolarHBondContact O-CB 3.21Å; R179-T226 VanDerWaalsContact CZ-OG1 3.29Å; R179-T226 PolarHBondContact NE-OG1 3.35Å; R179-T226 PolarHBondContact NH2-OG1 3.32Å; R179-M376 HydrophobicContact CB-CB 4.31Å; R179-M376 HydrophobicContact CB-CG 4.26Å; R179-M376 HydrophobicContact CB-SD 4.47Å; R179-M376 WeakPolarHBondContact CD-O 3.49Å; R179-M376 VanDerWaalsContact NH1-C 3.27Å; R179-M376 PolarHBondContact NH1-O 3.38Å; R179-S378 PolarHBondContact NH1-O 3.35Å; R179-S378 PolarHBondContact NH2-O 2.86Å; R179-W379 PolarHBondContact NH2-O 2.95Å
180	I	95.4	Very high	93.8	Very high	82 Å²	82	53.5 Å²	53.5	42%	0.421	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-46.5	174	-70	169.1	0	0	0	110.2	L176 P177 L182 A183 F184 M376	L176-I180 HydrophobicContact CD1-CD1 3.84Å; L176-I180 HydrophobicContact CD1-CG1 4.04Å; L176-I180 HydrophobicContact CG-CD1 3.87Å; L176-I180 HydrophobicContact CG-CG1 4.46Å; L176-I180 WeakPolarHBondContact O-CG1 3Å; L176-I180 PolarHBondContact O-N 2.98Å; P177-I180 PolarHBondContact O-N 2.9Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 2.63Å; I180-A183 PolarHBondContact O-N 2.94Å; I180-F184 WeakPolarHBondContact O-CB 3.41Å; I180-F184 PolarHBondContact O-N 3.33Å; I180-M376 HydrophobicContact CG1-SD 4.32Å
181	A	92.6	Very high	94.1	Very high	52 Å²	52	52 Å²	52	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-42.9	177.5	0	0	0	0	0	112.1	P177 L178 T185	P177-A181 WeakPolarHBondContact O-CB 3.45Å; P177-A181 PolarHBondContact O-N 3.27Å; L178-A181 PolarHBondContact O-N 2.89Å; A181-T185 WeakPolarHBondContact O-CB 3.43Å; A181-T185 PolarHBondContact O-N 2.81Å; A181-T185 PolarHBondContact O-OG1 2.77Å
182	L	93.6	Very high	94.2	Very high	20 Å²	20	55.9 Å²	55.9	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-43.4	175.4	-73	172.1	0	0	0	112.4	I30 L178 R179 I180 T185 G186 I220 A224	I30-L182 HydrophobicContact CD1-CD2 3.62Å; I30-L182 HydrophobicContact CG1-CD2 3.97Å; I30-L182 HydrophobicContact CG2-CD2 3.76Å; L178-L182 HydrophobicContact CD1-CD1 4.33Å; L178-L182 HydrophobicContact CD1-CG 4.39Å; L178-L182 HydrophobicContact CG-CD1 4.17Å; L178-L182 VanDerWaalsContact O-CG 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.45Å; L178-L182 PolarHBondContact O-N 2.82Å; R179-L182 PolarHBondContact O-N 3.45Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 2.63Å; L182-T185 PolarHBondContact O-N 3.45Å; L182-G186 PolarHBondContact O-N 3.43Å; L182-I220 WeakPolarHBondContact O-CG2 3.29Å; L182-A224 HydrophobicContact CB-CB 3.75Å
183	A	95.2	Very high	94.3	Very high	14 Å²	14	51.5 Å²	51.5	12%	0.116	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-45.9	178.2	0	0	0	0	0	111.3	R179 I180 T185 G186 I187 A224 M376	R179-A183 WeakPolarHBondContact O-CB 3.48Å; R179-A183 PolarHBondContact O-N 3.11Å; I180-A183 PolarHBondContact O-N 2.94Å; A183-T185 VanDerWaalsContact C-N 3.33Å; A183-T185 PolarHBondContact O-N 2.99Å; A183-G186 PolarHBondContact O-N 2.82Å; A183-I187 WeakPolarHBondContact O-CB 3.33Å; A183-I187 VanDerWaalsContact O-CG1 3.28Å; A183-I187 WeakPolarHBondContact O-CG1 3.42Å; A183-I187 PolarHBondContact O-N 2.92Å; A183-A224 HydrophobicContact CB-CB 3.84Å; A183-M376 HydrophobicContact CB-CE 3.57Å
184	F	95.1	Very high	94.4	Very high	151 Å²	151	47.9 Å²	47.9	66%	0.662	27%	0.265	S	S	*	.	H	α-helix	trans	-60.1	-44.7	176.2	-176.1	-96	0	0	0	111.3	I180 S188	I180-F184 WeakPolarHBondContact O-CB 3.41Å; I180-F184 PolarHBondContact O-N 3.33Å; F184-S188 WeakPolarHBondContact O-CB 3.34Å; F184-S188 PolarHBondContact O-N 3.26Å; F184-S188 PolarHBondContact O-OG 3.1Å
185	T	93.5	Very high	94.7	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-50.8	176.1	-58.9	0	0	0	0	111.3	L26 A181 L182 A183 I187 S188 L189	L26-T185 HydrophobicContact CD1-CG2 3.97Å; A181-T185 WeakPolarHBondContact O-CB 3.43Å; A181-T185 PolarHBondContact O-N 2.81Å; A181-T185 PolarHBondContact O-OG1 2.77Å; L182-T185 PolarHBondContact O-N 3.45Å; A183-T185 VanDerWaalsContact C-N 3.33Å; A183-T185 PolarHBondContact O-N 2.99Å; T185-I187 PolarHBondContact O-N 2.81Å; T185-S188 PolarHBondContact O-N 3.33Å; T185-L189 HydrophobicContact CG2-CD1 3.8Å; T185-L189 HydrophobicContact CG2-CG 4.37Å; T185-L189 WeakPolarHBondContact O-CB 3.37Å; T185-L189 VanDerWaalsContact O-CG 3.26Å; T185-L189 WeakPolarHBondContact O-CG 3.5Å; T185-L189 PolarHBondContact O-N 3.15Å
186	G	95.4	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-43.2	-178.8	0	0	0	0	0	113.2	L182 A183 L190	L182-G186 PolarHBondContact O-N 3.43Å; A183-G186 PolarHBondContact O-N 2.82Å; G186-L190 WeakPolarHBondContact O-CB 3.48Å; G186-L190 PolarHBondContact O-N 2.97Å
187	I	95.3	Very high	95	Very high	54 Å²	54	44.7 Å²	44.7	28%	0.277	26%	0.259	S	S	.	.	H	α-helix	trans	-69.3	-43.3	178.1	-66.7	168.7	0	0	0	110.9	A183 T185 L190 V191 I277	A183-I187 WeakPolarHBondContact O-CB 3.33Å; A183-I187 VanDerWaalsContact O-CG1 3.28Å; A183-I187 WeakPolarHBondContact O-CG1 3.42Å; A183-I187 PolarHBondContact O-N 2.92Å; T185-I187 PolarHBondContact O-N 2.81Å; I187-L190 WeakPolarHBondContact O-CB 3.46Å; I187-L190 PolarHBondContact O-N 3.14Å; I187-V191 WeakPolarHBondContact O-CG2 3.47Å; I187-V191 PolarHBondContact O-N 3Å; I187-I277 HydrophobicContact CG2-CD1 3.8Å; I187-I277 HydrophobicContact CG2-CG1 4.11Å
188	S	95.4	Very high	94.9	Very high	42 Å²	42	42.4 Å²	42.4	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-45.7	179.3	-59.2	0	0	0	0	111.1	F184 T185 L190 V191 V192	F184-S188 WeakPolarHBondContact O-CB 3.34Å; F184-S188 PolarHBondContact O-N 3.26Å; F184-S188 PolarHBondContact O-OG 3.1Å; T185-S188 PolarHBondContact O-N 3.33Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3.05Å; S188-V191 PolarHBondContact O-N 2.91Å; S188-V192 WeakPolarHBondContact O-CB 3.36Å; S188-V192 WeakPolarHBondContact O-CG2 3.3Å; S188-V192 PolarHBondContact O-N 3.16Å
189	L	95.4	Very high	95	Very high	52 Å²	52	46.6 Å²	46.6	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-35.1	174.5	-71.1	175.3	0	0	0	112.2	I31 T185 G193 M216 C217 I220	I31-L189 HydrophobicContact CD1-CD1 4.18Å; I31-L189 HydrophobicContact CG1-CD1 4.37Å; T185-L189 HydrophobicContact CG2-CD1 3.8Å; T185-L189 HydrophobicContact CG2-CG 4.37Å; T185-L189 WeakPolarHBondContact O-CB 3.37Å; T185-L189 VanDerWaalsContact O-CG 3.26Å; T185-L189 WeakPolarHBondContact O-CG 3.5Å; T185-L189 PolarHBondContact O-N 3.15Å; L189-G193 VanDerWaalsContact O-CA 3.31Å; L189-G193 WeakPolarHBondContact O-CA 3.17Å; L189-G193 PolarHBondContact O-N 3Å; L189-M216 HydrophobicContact CB-CE 4.31Å; L189-M216 HydrophobicContact CD1-CE 4.24Å; L189-C217 VanDerWaalsContact C-SG 3.56Å; L189-I220 HydrophobicContact CD1-CD1 3.99Å
190	L	95.6	Very high	95	Very high	8 Å²	8	49 Å²	49	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-63.5	-50.6	175	-176.7	65.3	0	0	0	110.5	G186 I187 S188 T194 C217 Y218 I277 M281	G186-L190 WeakPolarHBondContact O-CB 3.48Å; G186-L190 PolarHBondContact O-N 2.97Å; I187-L190 WeakPolarHBondContact O-CB 3.46Å; I187-L190 PolarHBondContact O-N 3.14Å; S188-L190 VanDerWaalsContact C-N 3.29Å; S188-L190 PolarHBondContact O-N 3.05Å; L190-T194 HydrophobicContact CD1-CG2 3.82Å; L190-T194 HydrophobicContact CG-CG2 4.45Å; L190-T194 VanDerWaalsContact O-CB 3.28Å; L190-T194 WeakPolarHBondContact O-CB 3.35Å; L190-T194 VanDerWaalsContact O-CG2 3.24Å; L190-T194 WeakPolarHBondContact O-CG2 3.49Å; L190-T194 PolarHBondContact O-N 3.26Å; L190-T194 PolarHBondContact O-OG1 2.96Å; L190-C217 VanDerWaalsContact CA-SG 3.52Å; L190-C217 HydrophobicContact CB-CB 3.79Å; L190-C217 HydrophobicContact CD1-CB 3.88Å; L190-C217 HydrophobicContact CG-CB 4.37Å; L190-C217 PolarHBondContact N-SG 3.07Å; L190-Y218 HydrophobicContact CD2-CE1 4.32Å; L190-I277 HydrophobicContact CD2-CG2 4.13Å; L190-M281 HydrophobicContact CD2-CG 4.28Å; L190-M281 HydrophobicContact CD2-SD 4.11Å; L190-M281 HydrophobicContact CG-CG 4.41Å
191	V	96.3	Very high	94.9	Very high	33 Å²	33	50.3 Å²	50.3	20%	0.2	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-49.1	-178.4	171	0	0	0	0	111.2	I187 S188 T194 T195 V276 I277 A280	I187-V191 WeakPolarHBondContact O-CG2 3.47Å; I187-V191 PolarHBondContact O-N 3Å; S188-V191 PolarHBondContact O-N 2.91Å; V191-T194 PolarHBondContact O-OG1 3.03Å; V191-T195 VanDerWaalsContact O-CB 3.28Å; V191-T195 WeakPolarHBondContact O-CB 3.41Å; V191-T195 PolarHBondContact O-N 3.33Å; V191-T195 VanDerWaalsContact O-N 3.13Å; V191-T195 PolarHBondContact O-OG1 3.02Å; V191-V276 HydrophobicContact CG1-CG1 4.34Å; V191-I277 HydrophobicContact CG2-CG1 4.1Å; V191-A280 HydrophobicContact CB-CB 4.3Å; V191-A280 HydrophobicContact CG1-CB 4.06Å; V191-A280 HydrophobicContact CG2-CB 4.32Å
192	V	96.4	Very high	94.7	Very high	90 Å²	90	54.6 Å²	54.6	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-50.8	-179.7	175	0	0	0	0	110.4	S188 T194 T195 V196	S188-V192 WeakPolarHBondContact O-CB 3.36Å; S188-V192 WeakPolarHBondContact O-CG2 3.3Å; S188-V192 PolarHBondContact O-N 3.16Å; V192-T194 PolarHBondContact O-N 3.38Å; V192-T195 PolarHBondContact O-N 3.29Å; V192-V196 HydrophobicContact CG1-CG2 4.36Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.93Å
193	G	96.1	Very high	94.5	Very high	16 Å²	16	55.2 Å²	55.2	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-61.8	-44.8	-176.9	0	0	0	0	0	112.9	L189 T195 V196 V197	L189-G193 VanDerWaalsContact O-CA 3.31Å; L189-G193 WeakPolarHBondContact O-CA 3.17Å; L189-G193 PolarHBondContact O-N 3Å; G193-T195 VanDerWaalsContact C-N 3.33Å; G193-T195 PolarHBondContact O-N 3.39Å; G193-V196 PolarHBondContact O-N 3.48Å; G193-V197 WeakPolarHBondContact O-CB 3.47Å; G193-V197 VanDerWaalsContact O-CG2 3.29Å; G193-V197 WeakPolarHBondContact O-CG2 3.5Å; G193-V197 PolarHBondContact O-N 3.38Å
194	T	95.1	Very high	94.3	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-68.8	-33.1	176.9	55.9	0	0	0	0	112.3	L190 V191 V192 G198 V213 H214 A280 A284	L190-T194 HydrophobicContact CD1-CG2 3.82Å; L190-T194 HydrophobicContact CG-CG2 4.45Å; L190-T194 VanDerWaalsContact O-CB 3.28Å; L190-T194 WeakPolarHBondContact O-CB 3.35Å; L190-T194 VanDerWaalsContact O-CG2 3.24Å; L190-T194 WeakPolarHBondContact O-CG2 3.49Å; L190-T194 PolarHBondContact O-N 3.26Å; L190-T194 PolarHBondContact O-OG1 2.96Å; V191-T194 PolarHBondContact O-OG1 3.03Å; V192-T194 PolarHBondContact O-N 3.38Å; T194-G198 PolarHBondContact O-N 2.95Å; T194-V213 HydrophobicContact CG2-CG1 4.24Å; T194-H214 VanDerWaalsContact CG2-CE1 3.48Å; T194-H214 WeakPolarHBondContact CG2-CE1 3.14Å; T194-A280 WeakPolarHBondContact CB-O 3.24Å; T194-A280 VanDerWaalsContact OG1-C 3.29Å; T194-A280 WeakPolarHBondContact OG1-CB 3.07Å; T194-A280 PolarHBondContact OG1-O 3.39Å; T194-A284 HydrophobicContact CG2-CB 3.98Å
195	T	94.9	Very high	94.2	Very high	31 Å²	31	64.1 Å²	64.1	19%	0.19	34%	0.342	C	S	.	.	H	α-helix	trans	-65.3	-44.7	172.6	-62.3	0	0	0	0	111.6	V191 V192 G193 G198 Y199 K283	V191-T195 VanDerWaalsContact O-CB 3.28Å; V191-T195 WeakPolarHBondContact O-CB 3.41Å; V191-T195 PolarHBondContact O-N 3.33Å; V191-T195 VanDerWaalsContact O-N 3.13Å; V191-T195 PolarHBondContact O-OG1 3.02Å; V192-T195 PolarHBondContact O-N 3.29Å; G193-T195 VanDerWaalsContact C-N 3.33Å; G193-T195 PolarHBondContact O-N 3.39Å; T195-G198 PolarHBondContact O-N 2.83Å; T195-G198 VanDerWaalsContact O-N 3.16Å; T195-Y199 HydrophobicContact CG2-CE2 3.91Å; T195-Y199 VanDerWaalsContact O-CD2 3.26Å; T195-Y199 WeakPolarHBondContact O-CD2 3.26Å; T195-Y199 PolarHBondContact O-N 3.46Å; T195-K283 HydrophobicContact CG2-CD 4.39Å
196	V	95.9	Very high	94.3	Very high	88 Å²	88	64 Å²	64	53%	0.533	34%	0.339	S	S	.	.	H	α-helix	trans	-61.8	-48.5	176.9	170.4	0	0	0	0	111.1	V192 G193 G198 Y199	V192-V196 HydrophobicContact CG1-CG2 4.36Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.93Å; G193-V196 PolarHBondContact O-N 3.48Å; V196-G198 PolarHBondContact O-N 2.8Å; V196-Y199 PolarHBondContact O-N 2.85Å; V196-Y199 VanDerWaalsContact O-N 3.13Å
197	V	95.9	Very high	94.1	Very high	7 Å²	7	69.3 Å²	69.3	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-60.5	-31.4	175.7	171.1	0	0	0	0	111.6	G193 Y199 L200 K206 M209 V213 A284	G193-V197 WeakPolarHBondContact O-CB 3.47Å; G193-V197 VanDerWaalsContact O-CG2 3.29Å; G193-V197 WeakPolarHBondContact O-CG2 3.5Å; G193-V197 PolarHBondContact O-N 3.38Å; V197-Y199 PolarHBondContact O-N 3.27Å; V197-L200 HydrophobicContact CG1-CD1 4.46Å; V197-L200 VanDerWaalsContact O-CB 3.31Å; V197-L200 WeakPolarHBondContact O-CB 3.05Å; V197-L200 PolarHBondContact O-N 2.92Å; V197-K206 HydrophobicContact CG1-CG 3.88Å; V197-M209 HydrophobicContact CG1-CB 4.47Å; V197-M209 HydrophobicContact CG2-CB 3.89Å; V197-V213 HydrophobicContact CG2-CG2 4.05Å; V197-A284 HydrophobicContact CB-CB 4.15Å; V197-A284 HydrophobicContact CG1-CB 3.9Å
198	G	93.1	Very high	94	Very high	21 Å²	21	71.7 Å²	71.7	22%	0.216	37%	0.372	C	S	.	.	H	α-helix	trans	-59.9	-30.2	176.3	0	0	0	0	0	114.6	T194 T195 V196 L200 K283	T194-G198 PolarHBondContact O-N 2.95Å; T195-G198 PolarHBondContact O-N 2.83Å; T195-G198 VanDerWaalsContact O-N 3.16Å; V196-G198 PolarHBondContact O-N 2.8Å; G198-L200 VanDerWaalsContact C-N 3.27Å; G198-L200 PolarHBondContact O-N 3.42Å; G198-K283 WeakPolarHBondContact CA-O 3.47Å
199	Y	94.5	Very high	94	Very high	188 Å²	188	72.4 Å²	72.4	74%	0.737	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.4	175.9	-65.7	-64.7	0	0	0	113.7	T195 V196 V197	T195-Y199 HydrophobicContact CG2-CE2 3.91Å; T195-Y199 VanDerWaalsContact O-CD2 3.26Å; T195-Y199 WeakPolarHBondContact O-CD2 3.26Å; T195-Y199 PolarHBondContact O-N 3.46Å; V196-Y199 PolarHBondContact O-N 2.85Å; V196-Y199 VanDerWaalsContact O-N 3.13Å; V197-Y199 PolarHBondContact O-N 3.27Å
200	L	94.3	Very high	93.9	Very high	51 Å²	51	70 Å²	70	27%	0.267	36%	0.359	S	S	.	.	S	Bend	trans	-74.1	145.2	175.6	-60.5	175	0	0	0	110.6	V197 G198 F205 K206 M209	V197-L200 HydrophobicContact CG1-CD1 4.46Å; V197-L200 VanDerWaalsContact O-CB 3.31Å; V197-L200 WeakPolarHBondContact O-CB 3.05Å; V197-L200 PolarHBondContact O-N 2.92Å; G198-L200 VanDerWaalsContact C-N 3.27Å; G198-L200 PolarHBondContact O-N 3.42Å; L200-F205 HydrophobicContact CD1-CD1 4.03Å; L200-F205 HydrophobicContact CD1-CE1 3.92Å; L200-F205 HydrophobicContact CD2-CE1 4.31Å; L200-K206 HydrophobicContact CB-CB 4.03Å; L200-K206 HydrophobicContact CB-CD 4.42Å; L200-K206 HydrophobicContact CB-CG 4.12Å; L200-K206 WeakPolarHBondContact O-CD 3.42Å; L200-K206 PolarHBondContact O-NZ 3.3Å; L200-M209 HydrophobicContact CD1-CB 4.28Å; L200-M209 HydrophobicContact CD1-CG 4.23Å
201	P	92.9	Very high	93.9	Very high	110 Å²	110	74.3 Å²	74.3	71%	0.714	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-62.7	149.3	172.8	27.4	-34.3	0	0	0	110.6	G203 K206	P201-G203 PolarHBondContact O-N 2.5Å; P201-K206 WeakPolarHBondContact O-CB 3.38Å
202	N	88.7	Confident	93.8	Very high	143 Å²	143	75.9 Å²	75.9	77%	0.765	38%	0.382	S	S	*	.	S	Bend	trans	-63.6	130.9	178	-66.8	-26	0	0	0	110.1	K206	N202-K206 PolarHBondContact OD1-NZ 3.47Å
203	G	89.8	Confident	93.7	Very high	33 Å²	33	72.8 Å²	72.8	34%	0.34	36%	0.364	S	S	.	.	S	Bend	trans	159.4	-179.5	-178.5	0	0	0	0	0	112.2	P201 F205 K206 E207	P201-G203 PolarHBondContact O-N 2.5Å; G203-F205 VanDerWaalsContact C-N 3.26Å; G203-F205 PolarHBondContact O-N 2.96Å; G203-K206 PolarHBondContact O-N 2.93Å; G203-K206 VanDerWaalsContact O-N 3.13Å; G203-E207 PolarHBondContact O-N 2.74Å; G203-E207 VanDerWaalsContact O-N 3.12Å
204	R	91.3	Very high	93.7	Very high	225 Å²	225	72 Å²	72	85%	0.849	36%	0.356	S	S	*	.	H	α-helix	trans	-56.7	-36.6	-173.6	-65.1	-176.5	178.5	-179.2	0.2	113.6	F208	R204-F208 VanDerWaalsContact O-CB 3.26Å; R204-F208 WeakPolarHBondContact O-CB 3.13Å; R204-F208 PolarHBondContact O-N 2.92Å
205	F	93.5	Very high	93.6	Very high	127 Å²	127	72.9 Å²	72.9	56%	0.557	36%	0.36	S	S	*	.	H	α-helix	trans	-68.3	-43	179.9	-176.9	-110.4	0	0	0	112.2	L200 G203 F208 M209	L200-F205 HydrophobicContact CD1-CD1 4.03Å; L200-F205 HydrophobicContact CD1-CE1 3.92Å; L200-F205 HydrophobicContact CD2-CE1 4.31Å; G203-F205 VanDerWaalsContact C-N 3.26Å; G203-F205 PolarHBondContact O-N 2.96Å; F205-F208 PolarHBondContact O-N 3.16Å; F205-M209 HydrophobicContact CD1-CG 4.33Å; F205-M209 HydrophobicContact CD2-CG 4.35Å; F205-M209 HydrophobicContact CE1-CG 3.91Å; F205-M209 HydrophobicContact CE2-CE 4.15Å; F205-M209 HydrophobicContact CE2-CG 3.93Å; F205-M209 HydrophobicContact CE2-SD 4.28Å; F205-M209 HydrophobicContact CZ-CE 4.46Å; F205-M209 HydrophobicContact CZ-CG 3.69Å; F205-M209 HydrophobicContact CZ-SD 4.01Å; F205-M209 WeakPolarHBondContact O-CB 3.48Å; F205-M209 WeakPolarHBondContact O-CG 3.28Å; F205-M209 PolarHBondContact O-N 2.84Å
206	K	93.6	Very high	93.7	Very high	25 Å²	25	72.5 Å²	72.5	11%	0.109	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-45.6	174.6	179.8	-178.8	-170.9	163.5	0	111.1	V197 L200 P201 N202 G203 M209 S210	V197-K206 HydrophobicContact CG1-CG 3.88Å; L200-K206 HydrophobicContact CB-CB 4.03Å; L200-K206 HydrophobicContact CB-CD 4.42Å; L200-K206 HydrophobicContact CB-CG 4.12Å; L200-K206 WeakPolarHBondContact O-CD 3.42Å; L200-K206 PolarHBondContact O-NZ 3.3Å; P201-K206 WeakPolarHBondContact O-CB 3.38Å; N202-K206 PolarHBondContact OD1-NZ 3.47Å; G203-K206 PolarHBondContact O-N 2.93Å; G203-K206 VanDerWaalsContact O-N 3.13Å; K206-M209 PolarHBondContact O-N 3.26Å; K206-S210 WeakPolarHBondContact O-CB 3.42Å; K206-S210 PolarHBondContact O-N 3.34Å
207	E	91.7	Very high	93.7	Very high	111 Å²	111	68.3 Å²	68.3	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-45.5	177.1	-70.7	170.4	-166.2	0	0	112	G203 S210 K211	G203-E207 PolarHBondContact O-N 2.74Å; G203-E207 VanDerWaalsContact O-N 3.12Å; E207-S210 PolarHBondContact O-N 3.02Å; E207-K211 WeakPolarHBondContact O-CB 3.42Å; E207-K211 PolarHBondContact O-N 3.44Å
208	F	93.6	Very high	93.7	Very high	105 Å²	105	68.6 Å²	68.6	46%	0.461	33%	0.332	S	S	.	.	H	α-helix	trans	-59.6	-49.7	176.8	176.8	-94.3	0	0	0	111.2	R204 F205 K211 H212	R204-F208 VanDerWaalsContact O-CB 3.26Å; R204-F208 WeakPolarHBondContact O-CB 3.13Å; R204-F208 PolarHBondContact O-N 2.92Å; F205-F208 PolarHBondContact O-N 3.16Å; F208-K211 PolarHBondContact O-N 3.36Å; F208-H212 AromaticContact CD2-CE1 3.53Å; F208-H212 AromaticContact CD2-ND1 3.87Å; F208-H212 AromaticContact CE1-ND1 3.96Å; F208-H212 AromaticContact CE2-CE1 3.12Å; F208-H212 WeakPolarHBondContact CE2-CE1 3.35Å; F208-H212 AromaticContact CE2-ND1 3.76Å; F208-H212 AromaticContact CE2-NE2 3.94Å; F208-H212 AromaticContact CZ-CE1 3.39Å; F208-H212 WeakPolarHBondContact CZ-CE1 3.34Å; F208-H212 AromaticContact CZ-ND1 3.79Å; F208-H212 AromaticContact CZ-NE2 3.96Å; F208-H212 PolarHBondContact O-N 2.9Å; F208-H212 VanDerWaalsContact O-N 3.16Å; F208-H212 PolarHBondContact O-ND1 3.37Å
209	M	95.3	Very high	93.8	Very high	56 Å²	56	69.8 Å²	69.8	28%	0.276	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-45.9	176.7	-71.4	-71.1	103.1	0	0	111.8	V197 L200 F205 K206 K211 H212 V213	V197-M209 HydrophobicContact CG1-CB 4.47Å; V197-M209 HydrophobicContact CG2-CB 3.89Å; L200-M209 HydrophobicContact CD1-CB 4.28Å; L200-M209 HydrophobicContact CD1-CG 4.23Å; F205-M209 HydrophobicContact CD1-CG 4.33Å; F205-M209 HydrophobicContact CD2-CG 4.35Å; F205-M209 HydrophobicContact CE1-CG 3.91Å; F205-M209 HydrophobicContact CE2-CE 4.15Å; F205-M209 HydrophobicContact CE2-CG 3.93Å; F205-M209 HydrophobicContact CE2-SD 4.28Å; F205-M209 HydrophobicContact CZ-CE 4.46Å; F205-M209 HydrophobicContact CZ-CG 3.69Å; F205-M209 HydrophobicContact CZ-SD 4.01Å; F205-M209 WeakPolarHBondContact O-CB 3.48Å; F205-M209 WeakPolarHBondContact O-CG 3.28Å; F205-M209 PolarHBondContact O-N 2.84Å; K206-M209 PolarHBondContact O-N 3.26Å; M209-K211 PolarHBondContact O-N 3.17Å; M209-H212 PolarHBondContact O-N 2.93Å; M209-V213 WeakPolarHBondContact O-CB 3.49Å; M209-V213 WeakPolarHBondContact O-CG2 3.37Å; M209-V213 PolarHBondContact O-N 3.1Å
210	S	94.4	Very high	93.8	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.007	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-48.9	178.2	-167.4	0	0	0	0	111.1	K206 E207 H212 V213 H214 Y262 A284	K206-S210 WeakPolarHBondContact O-CB 3.42Å; K206-S210 PolarHBondContact O-N 3.34Å; E207-S210 PolarHBondContact O-N 3.02Å; S210-H212 PolarHBondContact O-N 2.98Å; S210-V213 PolarHBondContact O-N 3.09Å; S210-H214 WeakPolarHBondContact O-CB 3.27Å; S210-H214 PolarHBondContact O-N 2.97Å; S210-H214 PolarHBondContact O-ND1 3.05Å; S210-H214 PolarHBondContact OG-CE1 2.65Å; S210-H214 PolarHBondContact OG-ND1 2.58Å; S210-Y262 VanDerWaalsContact CB-OH 3.29Å; S210-Y262 WeakPolarHBondContact CB-OH 3.28Å; S210-Y262 PolarHBondContact OG-OH 2.76Å; S210-A284 WeakPolarHBondContact CB-O 3.27Å; S210-A284 WeakPolarHBondContact OG-CB 3.28Å; S210-A284 PolarHBondContact OG-O 3.39Å
211	K	93.9	Very high	93.9	Very high	99 Å²	99	59.2 Å²	59.2	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-48.7	177.2	-178.5	179.1	177.6	179	0	112	E207 F208 M209 L215 Y262	E207-K211 WeakPolarHBondContact O-CB 3.42Å; E207-K211 PolarHBondContact O-N 3.44Å; F208-K211 PolarHBondContact O-N 3.36Å; M209-K211 PolarHBondContact O-N 3.17Å; K211-L215 HydrophobicContact CG-CD1 3.88Å; K211-L215 WeakPolarHBondContact O-CB 3.45Å; K211-L215 VanDerWaalsContact O-CG 3.29Å; K211-L215 WeakPolarHBondContact O-CG 3.21Å; K211-L215 PolarHBondContact O-N 3.09Å; K211-Y262 HydrophobicContact CB-CD1 3.9Å; K211-Y262 HydrophobicContact CB-CE1 3.73Å; K211-Y262 HydrophobicContact CB-CG 4.43Å; K211-Y262 HydrophobicContact CD-CD1 4.29Å; K211-Y262 HydrophobicContact CG-CD1 3.82Å; K211-Y262 HydrophobicContact CG-CE1 4.2Å; K211-Y262 HydrophobicContact CG-CG 4.09Å
212	H	94.2	Very high	94	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-69.3	-41.1	-177.1	-72.6	81.2	0	0	0	112.4	F208 M209 S210 M216	F208-H212 AromaticContact CD2-CE1 3.53Å; F208-H212 AromaticContact CD2-ND1 3.87Å; F208-H212 AromaticContact CE1-ND1 3.96Å; F208-H212 AromaticContact CE2-CE1 3.12Å; F208-H212 WeakPolarHBondContact CE2-CE1 3.35Å; F208-H212 AromaticContact CE2-ND1 3.76Å; F208-H212 AromaticContact CE2-NE2 3.94Å; F208-H212 AromaticContact CZ-CE1 3.39Å; F208-H212 WeakPolarHBondContact CZ-CE1 3.34Å; F208-H212 AromaticContact CZ-ND1 3.79Å; F208-H212 AromaticContact CZ-NE2 3.96Å; F208-H212 PolarHBondContact O-N 2.9Å; F208-H212 VanDerWaalsContact O-N 3.16Å; F208-H212 PolarHBondContact O-ND1 3.37Å; M209-H212 PolarHBondContact O-N 2.93Å; S210-H212 PolarHBondContact O-N 2.98Å; H212-M216 WeakPolarHBondContact O-CB 3.18Å; H212-M216 PolarHBondContact O-N 3.47Å
213	V	95.5	Very high	94.2	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-49.6	175.5	168.4	0	0	0	0	110.6	T194 V197 M209 S210 M216 C217	T194-V213 HydrophobicContact CG2-CG1 4.24Å; V197-V213 HydrophobicContact CG2-CG2 4.05Å; M209-V213 WeakPolarHBondContact O-CB 3.49Å; M209-V213 WeakPolarHBondContact O-CG2 3.37Å; M209-V213 PolarHBondContact O-N 3.1Å; S210-V213 PolarHBondContact O-N 3.09Å; V213-M216 PolarHBondContact O-N 3.36Å; V213-C217 WeakPolarHBondContact O-CB 3.4Å; V213-C217 PolarHBondContact O-N 3.41Å; V213-C217 PolarHBondContact O-SG 3.44Å
214	H	94.8	Very high	94.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-52.8	178.8	-77.6	93.2	0	0	0	111.5	T194 S210 M216 C217 Y218 Y262	T194-H214 VanDerWaalsContact CG2-CE1 3.48Å; T194-H214 WeakPolarHBondContact CG2-CE1 3.14Å; S210-H214 WeakPolarHBondContact O-CB 3.27Å; S210-H214 PolarHBondContact O-N 2.97Å; S210-H214 PolarHBondContact O-ND1 3.05Å; S210-H214 PolarHBondContact OG-CE1 2.65Å; S210-H214 PolarHBondContact OG-ND1 2.58Å; H214-M216 VanDerWaalsContact C-N 3.34Å; H214-M216 PolarHBondContact O-N 2.92Å; H214-C217 PolarHBondContact O-N 3.42Å; H214-Y218 HydrophobicContact CB-CD2 4.16Å; H214-Y218 HydrophobicContact CB-CE2 3.76Å; H214-Y218 AromaticContact CD2-CE2 3.93Å; H214-Y218 AromaticContact CD2-CZ 3.94Å; H214-Y218 WeakPolarHBondContact O-CB 3.44Å; H214-Y218 WeakPolarHBondContact O-CD2 3.45Å; H214-Y218 VanDerWaalsContact O-CG 3.29Å; H214-Y218 PolarHBondContact O-N 3.2Å; H214-Y262 HydrophobicContact CB-CD2 4.22Å; H214-Y262 HydrophobicContact CB-CE2 3.86Å; H214-Y262 AromaticContact CG-CE2 3.85Å; H214-Y262 AromaticContact ND1-CE2 3.82Å
215	L	94.8	Very high	94.5	Very high	18 Å²	18	36.9 Å²	36.9	9%	0.094	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-44.9	179.9	-75.6	173.2	0	0	0	112	K211 R219 A258 G261	K211-L215 HydrophobicContact CG-CD1 3.88Å; K211-L215 WeakPolarHBondContact O-CB 3.45Å; K211-L215 VanDerWaalsContact O-CG 3.29Å; K211-L215 WeakPolarHBondContact O-CG 3.21Å; K211-L215 PolarHBondContact O-N 3.09Å; L215-R219 VanDerWaalsContact O-CB 3.24Å; L215-R219 WeakPolarHBondContact O-CB 3.38Å; L215-R219 WeakPolarHBondContact O-CD 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.47Å; L215-R219 PolarHBondContact O-N 3.48Å; L215-A258 WeakPolarHBondContact CD2-O 3.4Å; L215-G261 WeakPolarHBondContact CD2-O 3.4Å
216	M	95.5	Very high	94.5	Very high	23 Å²	23	32 Å²	32	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-58.1	-50.7	176.4	178.4	-166.1	72.1	0	0	110.9	I31 A34 I35 L189 H212 V213 H214 R219 I220	I31-M216 HydrophobicContact CG2-SD 3.82Å; A34-M216 HydrophobicContact CB-CG 3.83Å; I35-M216 HydrophobicContact CD1-SD 4.06Å; I35-M216 HydrophobicContact CG1-CB 4.16Å; I35-M216 HydrophobicContact CG1-CG 3.79Å; I35-M216 HydrophobicContact CG1-SD 3.72Å; L189-M216 HydrophobicContact CB-CE 4.31Å; L189-M216 HydrophobicContact CD1-CE 4.24Å; H212-M216 WeakPolarHBondContact O-CB 3.18Å; H212-M216 PolarHBondContact O-N 3.47Å; V213-M216 PolarHBondContact O-N 3.36Å; H214-M216 VanDerWaalsContact C-N 3.34Å; H214-M216 PolarHBondContact O-N 2.92Å; M216-R219 PolarHBondContact O-N 2.7Å; M216-I220 HydrophobicContact CG-CD1 4.12Å; M216-I220 WeakPolarHBondContact O-CG1 3.35Å; M216-I220 PolarHBondContact O-N 2.94Å
217	C	96.4	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-43.2	-176.7	-63	0	0	0	0	112	L189 L190 V213 H214 R219 I220 C221	L189-C217 VanDerWaalsContact C-SG 3.56Å; L190-C217 VanDerWaalsContact CA-SG 3.52Å; L190-C217 HydrophobicContact CB-CB 3.79Å; L190-C217 HydrophobicContact CD1-CB 3.88Å; L190-C217 HydrophobicContact CG-CB 4.37Å; L190-C217 PolarHBondContact N-SG 3.07Å; V213-C217 WeakPolarHBondContact O-CB 3.4Å; V213-C217 PolarHBondContact O-N 3.41Å; V213-C217 PolarHBondContact O-SG 3.44Å; H214-C217 PolarHBondContact O-N 3.42Å; C217-R219 VanDerWaalsContact C-N 3.32Å; C217-R219 PolarHBondContact O-N 3.23Å; C217-I220 PolarHBondContact O-N 3.12Å; C217-I220 VanDerWaalsContact O-N 3.13Å; C217-C221 PolarHBondContact O-N 3.03Å; C217-C221 PolarHBondContact O-SG 3.45Å; C217-C221 VanDerWaalsContact O-SG 3.32Å
218	Y	95.9	Very high	94.4	Very high	12 Å²	12	26.8 Å²	26.8	5%	0.047	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-41.2	174.8	-63.9	-43	0	0	0	111.7	L190 H214 I220 C221 V222 I255 A258 M281	L190-Y218 HydrophobicContact CD2-CE1 4.32Å; H214-Y218 HydrophobicContact CB-CD2 4.16Å; H214-Y218 HydrophobicContact CB-CE2 3.76Å; H214-Y218 AromaticContact CD2-CE2 3.93Å; H214-Y218 AromaticContact CD2-CZ 3.94Å; H214-Y218 WeakPolarHBondContact O-CB 3.44Å; H214-Y218 WeakPolarHBondContact O-CD2 3.45Å; H214-Y218 VanDerWaalsContact O-CG 3.29Å; H214-Y218 PolarHBondContact O-N 3.2Å; Y218-I220 VanDerWaalsContact C-N 3.3Å; Y218-I220 PolarHBondContact O-N 2.67Å; Y218-C221 PolarHBondContact O-N 2.78Å; Y218-C221 VanDerWaalsContact O-N 3.16Å; Y218-V222 WeakPolarHBondContact O-CG1 3.39Å; Y218-V222 WeakPolarHBondContact O-CG2 3.47Å; Y218-V222 PolarHBondContact O-N 2.69Å; Y218-I255 HydrophobicContact CD1-CG2 3.97Å; Y218-I255 HydrophobicContact CE1-CG2 4.38Å; Y218-A258 HydrophobicContact CD1-CB 4.45Å; Y218-A258 HydrophobicContact CD2-CB 3.46Å; Y218-A258 VanDerWaalsContact CD2-CB 3.46Å; Y218-A258 VanDerWaalsContact CD2-O 3.28Å; Y218-A258 WeakPolarHBondContact CD2-O 3.47Å; Y218-A258 HydrophobicContact CE2-CB 3.61Å; Y218-A258 HydrophobicContact CG-CB 3.91Å; Y218-M281 WeakPolarHBondContact OH-CE 3.23Å
219	R	95.1	Very high	94.5	Very high	46 Å²	46	23.3 Å²	23.3	17%	0.174	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-34.8	174	-74.6	168.8	-178.1	174.3	0.2	112.5	A34 I35 G37 L215 M216 C217 V222 R223 S259	A34-R219 HydrophobicContact CB-CB 4.19Å; A34-R219 WeakPolarHBondContact O-CD 3.41Å; A34-R219 PolarHBondContact O-NH1 3.18Å; I35-R219 PolarHBondContact O-NH1 3.13Å; G37-R219 VanDerWaalsContact N-NH1 3.18Å; L215-R219 VanDerWaalsContact O-CB 3.24Å; L215-R219 WeakPolarHBondContact O-CB 3.38Å; L215-R219 WeakPolarHBondContact O-CD 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.47Å; L215-R219 PolarHBondContact O-N 3.48Å; M216-R219 PolarHBondContact O-N 2.7Å; C217-R219 VanDerWaalsContact C-N 3.32Å; C217-R219 PolarHBondContact O-N 3.23Å; R219-V222 VanDerWaalsContact O-CG2 3.26Å; R219-V222 WeakPolarHBondContact O-CG2 3.46Å; R219-R223 WeakPolarHBondContact O-CD 3.13Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 2.8Å; R219-S259 PolarHBondContact NE-O 2.91Å
220	I	94.8	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.2	-44.2	172.4	-66	167.3	0	0	0	110.5	I30 A34 L182 L189 M216 C217 Y218 V222 R223 A224	I30-I220 HydrophobicContact CG2-CD1 4.17Å; I30-I220 HydrophobicContact CG2-CG1 3.97Å; I30-I220 HydrophobicContact CG2-CG2 4.23Å; A34-I220 HydrophobicContact CB-CD1 4.24Å; A34-I220 HydrophobicContact CB-CG1 3.74Å; L182-I220 WeakPolarHBondContact O-CG2 3.29Å; L189-I220 HydrophobicContact CD1-CD1 3.99Å; M216-I220 HydrophobicContact CG-CD1 4.12Å; M216-I220 WeakPolarHBondContact O-CG1 3.35Å; M216-I220 PolarHBondContact O-N 2.94Å; C217-I220 PolarHBondContact O-N 3.12Å; C217-I220 VanDerWaalsContact O-N 3.13Å; Y218-I220 VanDerWaalsContact C-N 3.3Å; Y218-I220 PolarHBondContact O-N 2.67Å; I220-V222 PolarHBondContact O-N 3.22Å; I220-R223 WeakPolarHBondContact O-CA 3.47Å; I220-R223 VanDerWaalsContact O-CB 3.3Å; I220-R223 WeakPolarHBondContact O-CB 3.33Å; I220-R223 PolarHBondContact O-N 2.89Å; I220-R223 VanDerWaalsContact O-N 3.09Å; I220-A224 PolarHBondContact O-N 3.37Å
221	C	95.9	Very high	94.5	Very high	17 Å²	17	25.7 Å²	25.7	12%	0.115	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-43.3	178.5	-69.1	0	0	0	0	112.9	C217 Y218 R223 A224 L225 I255	C217-C221 PolarHBondContact O-N 3.03Å; C217-C221 PolarHBondContact O-SG 3.45Å; C217-C221 VanDerWaalsContact O-SG 3.32Å; Y218-C221 PolarHBondContact O-N 2.78Å; Y218-C221 VanDerWaalsContact O-N 3.16Å; C221-R223 PolarHBondContact O-N 2.91Å; C221-A224 VanDerWaalsContact O-CB 3.27Å; C221-A224 WeakPolarHBondContact O-CB 3.39Å; C221-A224 PolarHBondContact O-N 3.1Å; C221-A224 VanDerWaalsContact O-N 3.15Å; C221-L225 PolarHBondContact O-N 3.41Å; C221-I255 HydrophobicContact CB-CD1 4.09Å
222	V	95.1	Very high	94.7	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-29	175.1	-59.5	0	0	0	0	111.7	Y218 R219 I220 A224 L225 T226 A227 I229 I255 I256	Y218-V222 WeakPolarHBondContact O-CG1 3.39Å; Y218-V222 WeakPolarHBondContact O-CG2 3.47Å; Y218-V222 PolarHBondContact O-N 2.69Å; R219-V222 VanDerWaalsContact O-CG2 3.26Å; R219-V222 WeakPolarHBondContact O-CG2 3.46Å; I220-V222 PolarHBondContact O-N 3.22Å; V222-A224 VanDerWaalsContact C-N 3.35Å; V222-L225 PolarHBondContact O-N 2.82Å; V222-L225 VanDerWaalsContact O-N 3.1Å; V222-T226 PolarHBondContact O-N 2.66Å; V222-A227 HydrophobicContact CB-CB 3.86Å; V222-A227 VanDerWaalsContact O-CB 3.22Å; V222-A227 WeakPolarHBondContact O-CB 2.98Å; V222-A227 PolarHBondContact O-N 2.95Å; V222-I229 HydrophobicContact CB-CD1 4.4Å; V222-I229 HydrophobicContact CG1-CD1 4.37Å; V222-I255 HydrophobicContact CG1-CB 4.12Å; V222-I255 HydrophobicContact CG1-CD1 4.08Å; V222-I255 HydrophobicContact CG1-CG1 3.98Å; V222-I255 VanDerWaalsContact CG1-O 3.27Å; V222-I255 WeakPolarHBondContact CG1-O 3.35Å; V222-I256 HydrophobicContact CG1-CG1 4.44Å
223	R	92.6	Very high	94.9	Very high	29 Å²	29	24 Å²	24	11%	0.109	12%	0.122	C	C	.	.	H	α-helix	trans	-68.9	-33	172.7	-71.2	171.1	-174.1	172	-1.5	112.8	I30 P33 V38 R219 I220 C221 L225 T226	I30-R223 PolarHBondContact O-NH1 3.45Å; P33-R223 VanDerWaalsContact C-NH2 3.26Å; P33-R223 PolarHBondContact O-NH2 3.03Å; V38-R223 PolarHBondContact O-NH2 3.37Å; R219-R223 WeakPolarHBondContact O-CD 3.13Å; R219-R223 WeakPolarHBondContact O-CG 3.45Å; R219-R223 PolarHBondContact O-N 2.8Å; I220-R223 WeakPolarHBondContact O-CA 3.47Å; I220-R223 VanDerWaalsContact O-CB 3.3Å; I220-R223 WeakPolarHBondContact O-CB 3.33Å; I220-R223 PolarHBondContact O-N 2.89Å; I220-R223 VanDerWaalsContact O-N 3.09Å; C221-R223 PolarHBondContact O-N 2.91Å; R223-L225 PolarHBondContact O-N 2.81Å; R223-T226 PolarHBondContact O-N 2.95Å
224	A	94.4	Very high	95	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-17	170.3	0	0	0	0	0	112.9	R179 L182 A183 I220 C221 V222	R179-A224 WeakPolarHBondContact CB-O 3.35Å; R179-A224 VanDerWaalsContact CD-O 3.26Å; R179-A224 WeakPolarHBondContact CD-O 3.28Å; R179-A224 WeakPolarHBondContact CG-O 3.33Å; R179-A224 WeakPolarHBondContact O-CB 3.21Å; L182-A224 HydrophobicContact CB-CB 3.75Å; A183-A224 HydrophobicContact CB-CB 3.84Å; I220-A224 PolarHBondContact O-N 3.37Å; C221-A224 VanDerWaalsContact O-CB 3.27Å; C221-A224 WeakPolarHBondContact O-CB 3.39Å; C221-A224 PolarHBondContact O-N 3.1Å; C221-A224 VanDerWaalsContact O-N 3.15Å; V222-A224 VanDerWaalsContact C-N 3.35Å
225	L	93.8	Very high	95.1	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	0.9	171.2	-58.7	-179.6	0	0	0	112.9	C221 V222 R223 A227 I252 I255 M375 M376 I381	C221-L225 PolarHBondContact O-N 3.41Å; V222-L225 PolarHBondContact O-N 2.82Å; V222-L225 VanDerWaalsContact O-N 3.1Å; R223-L225 PolarHBondContact O-N 2.81Å; L225-A227 PolarHBondContact O-N 2.94Å; L225-I252 HydrophobicContact CD1-CB 4.01Å; L225-I252 HydrophobicContact CD1-CD1 3.85Å; L225-I252 HydrophobicContact CD1-CG2 3.79Å; L225-I255 HydrophobicContact CD1-CD1 3.96Å; L225-M375 HydrophobicContact CD2-CB 3.96Å; L225-M376 HydrophobicContact CD2-CE 4.35Å; L225-M376 HydrophobicContact CD2-CG 3.89Å; L225-I381 HydrophobicContact CB-CG1 4.08Å
226	T	92.4	Very high	95.2	Very high	26 Å²	26	34.9 Å²	34.9	16%	0.16	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	43.6	-165.7	-51.6	0	0	0	0	110.5	Y46 R179 V222 R223 I228 A380 I381	Y46-T226 HydrophobicContact CE1-CG2 4.27Å; R179-T226 VanDerWaalsContact CZ-OG1 3.29Å; R179-T226 PolarHBondContact NE-OG1 3.35Å; R179-T226 PolarHBondContact NH2-OG1 3.32Å; V222-T226 PolarHBondContact O-N 2.66Å; R223-T226 PolarHBondContact O-N 2.95Å; T226-I228 PolarHBondContact O-N 2.99Å; T226-A380 HydrophobicContact CG2-CB 4.13Å; T226-A380 WeakPolarHBondContact O-CB 3.44Å; T226-I381 PolarHBondContact O-N 2.77Å
227	A	93	Very high	95.3	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.9	179.3	0	0	0	0	0	110.4	R43 V222 L225 I229 I381	R43-A227 PolarHBondContact NH1-O 2.98Å; V222-A227 HydrophobicContact CB-CB 3.86Å; V222-A227 VanDerWaalsContact O-CB 3.22Å; V222-A227 WeakPolarHBondContact O-CB 2.98Å; V222-A227 PolarHBondContact O-N 2.95Å; L225-A227 PolarHBondContact O-N 2.94Å; A227-I229 HydrophobicContact CB-CD1 4.12Å; A227-I229 HydrophobicContact CB-CG1 4.04Å; A227-I381 CarbonylContact C-O 3.51Å; A227-I381 WeakPolarHBondContact CA-O 3.35Å
228	I	91.8	Very high	95.3	Very high	24 Å²	24	38 Å²	38	12%	0.123	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	106.3	172.2	-55	177	0	0	0	105.8	R43 M47 T226 I381 V382 C383	R43-I228 HydrophobicContact CB-CD1 4.2Å; R43-I228 HydrophobicContact CB-CG1 4.35Å; M47-I228 HydrophobicContact CB-CD1 3.93Å; M47-I228 HydrophobicContact CG-CD1 4.31Å; M47-I228 HydrophobicContact SD-CD1 4.31Å; M47-I228 HydrophobicContact SD-CG2 4.35Å; T226-I228 PolarHBondContact O-N 2.99Å; I228-I381 PolarHBondContact N-O 2.69Å; I228-V382 HydrophobicContact CB-CG2 4.19Å; I228-V382 HydrophobicContact CD1-CG2 4.27Å; I228-V382 WeakPolarHBondContact O-CA 3.37Å; I228-C383 PolarHBondContact O-N 3.12Å
229	I	93.9	Very high	95.3	Very high	32 Å²	32	45.2 Å²	45.2	16%	0.164	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.5	-170.1	-47.4	164.2	0	0	0	108.2	V222 A227 Y231 I256 C383 V385	V222-I229 HydrophobicContact CB-CD1 4.4Å; V222-I229 HydrophobicContact CG1-CD1 4.37Å; A227-I229 HydrophobicContact CB-CD1 4.12Å; A227-I229 HydrophobicContact CB-CG1 4.04Å; I229-Y231 HydrophobicContact CB-CD2 4.34Å; I229-Y231 HydrophobicContact CB-CE2 3.67Å; I229-Y231 WeakPolarHBondContact CD1-OH 3.42Å; I229-Y231 HydrophobicContact CG2-CD1 4.19Å; I229-Y231 HydrophobicContact CG2-CD2 3.97Å; I229-Y231 HydrophobicContact CG2-CE1 3.68Å; I229-Y231 HydrophobicContact CG2-CE2 3.47Å; I229-Y231 VanDerWaalsContact CG2-CE2 3.47Å; I229-Y231 HydrophobicContact CG2-CG 4.33Å; I229-I256 HydrophobicContact CD1-CB 4.29Å; I229-I256 HydrophobicContact CD1-CG1 4.02Å; I229-I256 HydrophobicContact CD1-CG2 4.1Å; I229-I256 HydrophobicContact CG1-CG2 4.5Å; I229-I256 HydrophobicContact CG2-CG2 4.27Å; I229-C383 WeakPolarHBondContact CA-O 3.33Å; I229-V385 HydrophobicContact CG2-CG2 3.75Å
230	T	95.1	Very high	95.2	Very high	69 Å²	69	46.6 Å²	46.6	42%	0.423	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.6	172.1	-50.3	0	0	0	0	108.4	H232 C383 S384 V385	T230-H232 VanDerWaalsContact CG2-NE2 3.32Å; T230-H232 WeakPolarHBondContact CG2-NE2 3.32Å; T230-C383 PolarHBondContact N-O 2.93Å; T230-S384 CarbonylContact O-C 3.45Å; T230-S384 WeakPolarHBondContact O-CA 3.29Å; T230-V385 PolarHBondContact O-N 3.22Å
231	Y	96.4	Very high	95	Very high	38 Å²	38	46.8 Å²	46.8	15%	0.149	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.2	179.5	-63.8	-85.2	0	0	0	109.4	I229 I256 S259 D260 V385 Y387	I229-Y231 HydrophobicContact CB-CD2 4.34Å; I229-Y231 HydrophobicContact CB-CE2 3.67Å; I229-Y231 WeakPolarHBondContact CD1-OH 3.42Å; I229-Y231 HydrophobicContact CG2-CD1 4.19Å; I229-Y231 HydrophobicContact CG2-CD2 3.97Å; I229-Y231 HydrophobicContact CG2-CE1 3.68Å; I229-Y231 HydrophobicContact CG2-CE2 3.47Å; I229-Y231 VanDerWaalsContact CG2-CE2 3.47Å; I229-Y231 HydrophobicContact CG2-CG 4.33Å; Y231-I256 PolarHBondContact OH-O 2.85Å; Y231-S259 PolarHBondContact OH-OG 3.41Å; Y231-D260 HydrophobicContact CD1-CB 3.84Å; Y231-D260 VanDerWaalsContact CD1-OD2 3.32Å; Y231-D260 WeakPolarHBondContact CD1-OD2 3.18Å; Y231-D260 HydrophobicContact CD2-CB 4.34Å; Y231-D260 HydrophobicContact CE1-CB 3.3Å; Y231-D260 HydrophobicContact CE2-CB 3.83Å; Y231-D260 HydrophobicContact CG-CB 4.32Å; Y231-V385 CarbonylContact C-O 3.58Å; Y231-V385 WeakPolarHBondContact CA-O 3.2Å; Y231-V385 HydrophobicContact CD1-CB 3.73Å; Y231-V385 HydrophobicContact CD1-CG1 3.95Å; Y231-V385 HydrophobicContact CD1-CG2 4.26Å; Y231-V385 HydrophobicContact CE1-CB 4.04Å; Y231-V385 HydrophobicContact CE1-CG1 4.21Å; Y231-V385 HydrophobicContact CE1-CG2 4.07Å; Y231-Y387 AromaticContact CD1-CE2 3.91Å; Y231-Y387 HydrophobicContact CD1-CE2 3.91Å
232	H	98	Very high	95	Very high	57 Å²	57	46 Å²	46	26%	0.264	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.6	-179.9	-56.7	-92.6	0	0	0	110.1	T230 R234 V385 W386 Y387	T230-H232 VanDerWaalsContact CG2-NE2 3.32Å; T230-H232 WeakPolarHBondContact CG2-NE2 3.32Å; H232-R234 PolarHBondContact O-N 3.15Å; H232-V385 PolarHBondContact N-O 3.01Å; H232-W386 HydrophobicContact CB-CB 4.44Å; H232-W386 HydrophobicContact CB-CG 3.93Å; H232-W386 AromaticContact CD2-CD1 3.72Å; H232-W386 AromaticContact CD2-CD2 3.95Å; H232-W386 AromaticContact CD2-CE2 3.56Å; H232-W386 AromaticContact CD2-NE1 3.38Å; H232-W386 PolarHBondContact CD2-NE1 2.99Å; H232-W386 AromaticContact CG-CD1 3.49Å; H232-W386 VanDerWaalsContact CG-CD1 3.49Å; H232-W386 AromaticContact CG-NE1 3.37Å; H232-W386 AromaticContact ND1-NE1 3.81Å; H232-W386 AromaticContact NE2-CE2 3.9Å; H232-W386 AromaticContact NE2-NE1 3.85Å; H232-Y387 VanDerWaalsContact O-CD2 3.31Å; H232-Y387 WeakPolarHBondContact O-CD2 3.41Å; H232-Y387 PolarHBondContact O-N 3.04Å
233	D	97.8	Very high	95.1	Very high	71 Å²	71	45.7 Å²	45.7	38%	0.38	21%	0.213	S	C	.	.			trans	58.2	43.6	167.8	-42.7	-44	0	0	0	114	E235 N236 Y387	D233-E235 VanDerWaalsContact C-CD 3.48Å; D233-E235 WeakPolarHBondContact CA-OE1 3.39Å; D233-E235 WeakPolarHBondContact CA-OE2 3.48Å; D233-E235 PolarHBondContact O-N 3.19Å; D233-N236 WeakPolarHBondContact O-CB 3.33Å; D233-N236 PolarHBondContact O-N 3.04Å; D233-Y387 WeakPolarHBondContact CB-O 3Å; D233-Y387 WeakPolarHBondContact O-CB 3.3Å
234	R	96.7	Very high	95.4	Very high	114 Å²	114	44.3 Å²	44.3	43%	0.43	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-59.6	-18.7	-173.2	-70.3	176.3	168.3	-134.1	-16.1	114.2	H232 N236 R237 D260 Y387	H232-R234 PolarHBondContact O-N 3.15Å; R234-N236 PolarHBondContact O-N 2.97Å; R234-R237 VanDerWaalsContact CD-NH2 3.25Å; R234-R237 WeakPolarHBondContact O-CB 3.48Å; R234-R237 WeakPolarHBondContact O-CD 3.18Å; R234-R237 WeakPolarHBondContact O-CG 3.45Å; R234-R237 PolarHBondContact O-N 2.72Å; R234-D260 IonicContact CZ-OD1 3.09Å; R234-D260 IonicContact CZ-OD2 3.85Å; R234-D260 IonicContact NE-OD1 3.97Å; R234-D260 IonicContact NH1-OD1 3.23Å; R234-D260 PolarHBondContact NH1-OD1 2.91Å; R234-D260 IonicContact NH2-OD1 2.7Å; R234-D260 PolarHBondContact NH2-OD1 3.37Å; R234-D260 IonicContact NH2-OD2 3.67Å; R234-Y387 HydrophobicContact CG-CD2 4.43Å; R234-Y387 HydrophobicContact CG-CE2 4.33Å
235	E	96.8	Very high	95.5	Very high	124 Å²	124	44.2 Å²	44.2	58%	0.579	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-60.7	-27.3	172	64.8	-78.9	-178	0	0	113.1	D233 R237	D233-E235 VanDerWaalsContact C-CD 3.48Å; D233-E235 WeakPolarHBondContact CA-OE1 3.39Å; D233-E235 WeakPolarHBondContact CA-OE2 3.48Å; D233-E235 PolarHBondContact O-N 3.19Å; E235-R237 VanDerWaalsContact C-N 3.3Å; E235-R237 PolarHBondContact O-N 3.48Å
236	N	97.9	Very high	95.8	Very high	35 Å²	35	44 Å²	44	19%	0.187	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-89.3	10.8	178.7	-65.2	-38.6	0	0	0	113.5	D233 R234 Y387 L388	D233-N236 WeakPolarHBondContact O-CB 3.33Å; D233-N236 PolarHBondContact O-N 3.04Å; R234-N236 PolarHBondContact O-N 2.97Å; N236-Y387 WeakPolarHBondContact CB-O 3.47Å; N236-Y387 PolarHBondContact ND2-O 3.05Å; N236-L388 WeakPolarHBondContact CB-O 3.4Å
237	R	97	Very high	96	Very high	72 Å²	72	42.9 Å²	42.9	27%	0.272	20%	0.199	S	C	.	.			trans	-54.7	145.2	-179.8	-86.9	175.5	-175.9	165	5.1	112.3	R234 E235 R239 D260 Y387	R234-R237 VanDerWaalsContact CD-NH2 3.25Å; R234-R237 WeakPolarHBondContact O-CB 3.48Å; R234-R237 WeakPolarHBondContact O-CD 3.18Å; R234-R237 WeakPolarHBondContact O-CG 3.45Å; R234-R237 PolarHBondContact O-N 2.72Å; E235-R237 VanDerWaalsContact C-N 3.3Å; E235-R237 PolarHBondContact O-N 3.48Å; R237-R239 WeakPolarHBondContact O-CG 3.21Å; R237-R239 PolarHBondContact O-N 3.06Å; R237-D260 IonicContact CZ-OD1 2.73Å; R237-D260 IonicContact CZ-OD2 3.74Å; R237-D260 IonicContact NE-OD2 3.64Å; R237-D260 PolarHBondContact NE-OD2 3.2Å; R237-D260 VanDerWaalsContact NE-OD2 3.07Å; R237-D260 IonicContact NH2-OD1 2.69Å; R237-D260 PolarHBondContact NH2-OD1 2.95Å; R237-D260 IonicContact NH2-OD2 2.67Å; R237-D260 PolarHBondContact NH2-OD2 3.48Å; R237-Y387 HydrophobicContact CG-CD1 4.06Å; R237-Y387 HydrophobicContact CG-CD2 3.87Å; R237-Y387 HydrophobicContact CG-CE1 3.97Å; R237-Y387 HydrophobicContact CG-CE2 3.76Å; R237-Y387 HydrophobicContact CG-CG 4.02Å
238	P	97.1	Very high	96.2	Very high	17 Å²	17	44 Å²	44	11%	0.11	20%	0.204	C	C	.	.			trans	-56.5	137.2	177.3	-23.7	33.6	0	0	0	112.4	C244 Y263 P316 Y346	P238-C244 HydrophobicContact CB-CB 3.94Å; P238-C244 HydrophobicContact CG-CB 3.59Å; P238-Y263 HydrophobicContact CB-CE1 3.89Å; P238-Y263 HydrophobicContact CG-CE1 3.72Å; P238-P316 HydrophobicContact CB-CB 3.8Å; P238-P316 HydrophobicContact CB-CG 3.98Å; P238-Y346 HydrophobicContact CB-CD1 4.41Å; P238-Y346 HydrophobicContact CB-CD2 4.02Å; P238-Y346 HydrophobicContact CB-CG 3.86Å; P238-Y346 HydrophobicContact CG-CG 4.15Å
239	R	95	Very high	96.4	Very high	163 Å²	163	42.9 Å²	42.9	62%	0.615	20%	0.198	S	C	*	.			trans	-112.2	159.5	-179.2	-54.3	-173.5	-179.2	-176.2	0.3	110.9	R237 G242 P316 Y346	R237-R239 WeakPolarHBondContact O-CG 3.21Å; R237-R239 PolarHBondContact O-N 3.06Å; R239-G242 PolarHBondContact O-N 3.38Å; R239-P316 WeakPolarHBondContact O-CB 3.49Å; R239-Y346 WeakPolarHBondContact CB-OH 3.42Å; R239-Y346 HydrophobicContact CG-CE1 4.24Å
240	N	94.6	Very high	96.4	Very high	76 Å²	76	41.4 Å²	41.4	41%	0.406	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	142.3	178.8	-72.2	14.8	0	0	0	111.9	G242 K312 S313 K314 P316	N240-G242 VanDerWaalsContact C-N 3.32Å; N240-K312 VanDerWaalsContact CB-O 3.24Å; N240-K312 WeakPolarHBondContact CB-O 3.32Å; N240-S313 PolarHBondContact ND2-O 3.31Å; N240-K314 WeakPolarHBondContact CA-O 3.45Å; N240-K314 WeakPolarHBondContact CB-O 3.18Å; N240-K314 VanDerWaalsContact CG-O 3.28Å; N240-P316 WeakPolarHBondContact OD1-CD 3.14Å
241	G	90.5	Very high	96.4	Very high	4 Å²	4	39.5 Å²	39.5	4%	0.041	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	31	-175.3	0	0	0	0	0	114.6	V309 K312 K314	G241-V309 VanDerWaalsContact CA-O 3.32Å; G241-V309 WeakPolarHBondContact CA-O 3.37Å; G241-V309 VanDerWaalsContact O-CG1 3.31Å; G241-V309 WeakPolarHBondContact O-CG1 3.46Å; G241-K312 PolarHBondContact O-NZ 3.13Å; G241-K314 PolarHBondContact N-O 3.21Å
242	G	95.1	Very high	96.3	Very high	1 Å²	1	38 Å²	38	1%	0.01	17%	0.174	C	C	.	.	S	Bend	trans	-134.3	-179.9	168.8	0	0	0	0	0	112.5	R239 N240 P316 I317 T344	R239-G242 PolarHBondContact O-N 3.38Å; N240-G242 VanDerWaalsContact C-N 3.32Å; G242-P316 VanDerWaalsContact O-CA 3.3Å; G242-P316 WeakPolarHBondContact O-CA 3.21Å; G242-I317 PolarHBondContact O-N 3.24Å; G242-I317 VanDerWaalsContact O-N 3.08Å; G242-T344 WeakPolarHBondContact CA-O 3.27Å
243	I	97.3	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.6	-177.7	-54.2	178.3	0	0	0	109.4	V245 V309 I317 I319 I341 A343 T344 V345 Y346	I243-V245 HydrophobicContact CG2-CG2 3.99Å; I243-V309 HydrophobicContact CD1-CG2 4.31Å; I243-V309 HydrophobicContact CG1-CG2 3.94Å; I243-I317 CarbonylContact C-O 3.46Å; I243-I319 HydrophobicContact CG2-CB 4.36Å; I243-I319 HydrophobicContact CG2-CD1 3.96Å; I243-I319 HydrophobicContact CG2-CG1 4.49Å; I243-I341 HydrophobicContact CD1-CB 4.42Å; I243-I341 HydrophobicContact CD1-CD1 3.88Å; I243-A343 HydrophobicContact CD1-CB 3.75Å; I243-A343 HydrophobicContact CG1-CB 3.89Å; I243-T344 PolarHBondContact N-O 3.27Å; I243-V345 CarbonylContact O-C 3.6Å; I243-V345 WeakPolarHBondContact O-CA 3.28Å; I243-Y346 PolarHBondContact O-N 3.04Å
244	C	98.1	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121	167.2	-177.1	0	0	0	0	109.3	P238 Y263 I317 L318 I319 Y346	P238-C244 HydrophobicContact CB-CB 3.94Å; P238-C244 HydrophobicContact CG-CB 3.59Å; C244-Y263 HydrophobicContact CB-CD1 4.2Å; C244-Y263 HydrophobicContact CB-CE1 3.97Å; C244-I317 WeakPolarHBondContact CB-O 3.32Å; C244-I317 PolarHBondContact N-O 3.45Å; C244-L318 HydrophobicContact CB-CD1 4.01Å; C244-I319 PolarHBondContact O-N 3.17Å; C244-Y346 WeakPolarHBondContact CA-O 3.33Å
245	V	98.1	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.4	179	164.6	0	0	0	0	109	I243 I319 P321 F334 F339 V345 Y346 P347 V348 V406 I410	I243-V245 HydrophobicContact CG2-CG2 3.99Å; V245-I319 WeakPolarHBondContact CA-O 3.48Å; V245-P321 HydrophobicContact CB-CG 4.34Å; V245-P321 HydrophobicContact CG1-CG 3.51Å; V245-P321 HydrophobicContact CG2-CG 4.06Å; V245-F334 HydrophobicContact CG1-CD2 4.15Å; V245-F334 HydrophobicContact CG1-CE2 3.47Å; V245-F334 VanDerWaalsContact CG1-CE2 3.47Å; V245-F334 HydrophobicContact CG1-CZ 4.1Å; V245-F339 HydrophobicContact CG1-CZ 4.16Å; V245-F339 HydrophobicContact CG2-CE1 4.46Å; V245-F339 HydrophobicContact CG2-CZ 4.19Å; V245-V345 HydrophobicContact CB-CG1 3.83Å; V245-V345 HydrophobicContact CG2-CG1 3.65Å; V245-Y346 PolarHBondContact N-O 3.4Å; V245-P347 CarbonylContact O-C 3.58Å; V245-P347 WeakPolarHBondContact O-CA 3.34Å; V245-V348 PolarHBondContact O-N 3.16Å; V245-V406 HydrophobicContact CG1-CG1 3.97Å; V245-I410 HydrophobicContact CG1-CD1 3.96Å; V245-I410 WeakPolarHBondContact O-CD1 3.39Å
246	A	98.3	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.9	178	0	0	0	0	0	112.8	L257 I319 F320 V348 I350	A246-L257 HydrophobicContact CB-CD1 4.02Å; A246-I319 PolarHBondContact N-O 3.01Å; A246-F320 HydrophobicContact CB-CD1 4.02Å; A246-F320 HydrophobicContact CB-CE1 3.74Å; A246-F320 WeakPolarHBondContact O-CD1 3.47Å; A246-V348 VanDerWaalsContact CA-O 3.26Å; A246-V348 WeakPolarHBondContact CA-O 3.43Å; A246-V348 HydrophobicContact CB-CB 4.09Å; A246-I350 HydrophobicContact CB-CD1 4.34Å
247	N	97.9	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.108	C	C	.	.			trans	-66.1	153.6	163.6	65.2	-66.9	0	0	0	110.5	E322 V331 A349 I350 I410 L416	N247-E322 WeakPolarHBondContact CA-OE1 3.36Å; N247-E322 WeakPolarHBondContact CB-OE1 3.36Å; N247-V331 HydrophobicContact CB-CG1 4.26Å; N247-V331 HydrophobicContact CB-CG2 3.97Å; N247-A349 WeakPolarHBondContact OD1-CA 3.42Å; N247-I350 PolarHBondContact ND2-O 2.92Å; N247-I350 PolarHBondContact OD1-N 3.01Å; N247-I410 HydrophobicContact CB-CG2 3.95Å; N247-L416 HydrophobicContact CB-CD1 4.45Å
248	H	96.1	Very high	96.1	Very high	25 Å²	25	19.2 Å²	19.2	12%	0.116	10%	0.095	C	C	.	.			trans	-127.7	109.4	-167.3	-161.3	31.4	0	0	0	113.6	S250 D253 F320 E322 C325 I326	H248-S250 PolarHBondContact CE1-O 3.01Å; H248-S250 PolarHBondContact ND1-O 3.19Å; H248-D253 WeakPolarHBondContact CA-OD2 3.01Å; H248-D253 IonicContact CE1-OD2 2.93Å; H248-D253 IonicContact CG-OD2 3.7Å; H248-D253 IonicContact ND1-OD2 3.24Å; H248-D253 PolarHBondContact ND1-OD2 3.24Å; H248-F320 HydrophobicContact CB-CB 3.77Å; H248-F320 HydrophobicContact CB-CD1 3.63Å; H248-F320 HydrophobicContact CB-CG 3.92Å; H248-F320 AromaticContact CG-CD1 3.64Å; H248-F320 AromaticContact CG-CG 3.63Å; H248-F320 AromaticContact ND1-CD1 3.49Å; H248-F320 WeakPolarHBondContact ND1-CD1 3.22Å; H248-F320 AromaticContact ND1-CE1 3.77Å; H248-F320 AromaticContact ND1-CG 3.61Å; H248-E322 PolarHBondContact N-OE1 2.78Å; H248-C325 PolarHBondContact NE2-SG 3.22Å; H248-C325 WeakPolarHBondContact O-CA 3.32Å; H248-I326 WeakPolarHBondContact O-CG1 3.39Å; H248-I326 PolarHBondContact O-N 3.12Å
249	T	96	Very high	96	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	9%	0.091	C	C	.	.	S	Bend	trans	-105.8	-29.4	177.7	-64.2	0	0	0	0	112.3	D253 C325 I326 N328 Y352 A359 F360 W361	T249-D253 PolarHBondContact N-OD2 2.94Å; T249-C325 WeakPolarHBondContact O-CB 3.34Å; T249-I326 VanDerWaalsContact CA-O 3.27Å; T249-I326 WeakPolarHBondContact CA-O 3.33Å; T249-N328 HydrophobicContact CG2-CB 3.9Å; T249-N328 WeakPolarHBondContact OG1-CB 3.29Å; T249-N328 PolarHBondContact OG1-ND2 3.1Å; T249-Y352 HydrophobicContact CG2-CD2 4.01Å; T249-Y352 HydrophobicContact CG2-CE2 4.06Å; T249-A359 HydrophobicContact CG2-CB 4.24Å; T249-F360 HydrophobicContact CG2-CB 4.22Å; T249-W361 PolarHBondContact O-N 3.44Å; T249-W361 VanDerWaalsContact O-N 3.17Å
250	S	95.4	Very high	96	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.			trans	-159.6	153	-172.7	177.8	0	0	0	0	114.1	H248 I252 D253 A359 Y371	H248-S250 PolarHBondContact CE1-O 3.01Å; H248-S250 PolarHBondContact ND1-O 3.19Å; S250-I252 PolarHBondContact O-N 3.34Å; S250-I252 WeakPolarHBondContact OG-CG1 3.26Å; S250-I252 PolarHBondContact OG-N 3.39Å; S250-I252 VanDerWaalsContact OG-N 3.1Å; S250-D253 PolarHBondContact N-OD2 3.04Å; S250-D253 WeakPolarHBondContact O-CB 3.42Å; S250-D253 PolarHBondContact O-N 2.76Å; S250-A359 WeakPolarHBondContact CB-O 3.35Å; S250-Y371 WeakPolarHBondContact CB-OH 3.32Å; S250-Y371 WeakPolarHBondContact OG-CE1 3.35Å; S250-Y371 PolarHBondContact OG-OH 3.42Å
251	P	93.8	Very high	95.9	Very high	30 Å²	30	8.4 Å²	8.4	20%	0.195	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-26	165.6	-26.5	36.1	0	0	0	114.4	D253 V254 W361 M368	P251-D253 PolarHBondContact O-N 3.11Å; P251-V254 WeakPolarHBondContact O-CB 3.33Å; P251-V254 WeakPolarHBondContact O-CG2 3.35Å; P251-V254 PolarHBondContact O-N 3.17Å; P251-W361 VanDerWaalsContact CD-CE3 3.4Å; P251-W361 HydrophobicContact CG-CB 4.45Å; P251-W361 HydrophobicContact CG-CD2 3.69Å; P251-W361 HydrophobicContact CG-CE3 3.12Å; P251-W361 HydrophobicContact CG-CG 4.28Å; P251-W361 HydrophobicContact CG-CH2 4.34Å; P251-W361 HydrophobicContact CG-CZ3 3.49Å; P251-W361 VanDerWaalsContact CG-CZ3 3.49Å; P251-M368 HydrophobicContact CB-CE 3.84Å; P251-M368 HydrophobicContact CB-SD 4.06Å; P251-M368 HydrophobicContact CG-CE 3.69Å; P251-M368 HydrophobicContact CG-SD 4.04Å
252	I	96	Very high	96	Very high	6 Å²	6	9.9 Å²	9.9	3%	0.031	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.4	177.6	72.6	174.6	0	0	0	113	L225 S250 V254 I255 I256 Y371 L372 I381	L225-I252 HydrophobicContact CD1-CB 4.01Å; L225-I252 HydrophobicContact CD1-CD1 3.85Å; L225-I252 HydrophobicContact CD1-CG2 3.79Å; S250-I252 PolarHBondContact O-N 3.34Å; S250-I252 WeakPolarHBondContact OG-CG1 3.26Å; S250-I252 PolarHBondContact OG-N 3.39Å; S250-I252 VanDerWaalsContact OG-N 3.1Å; I252-V254 PolarHBondContact O-N 3.46Å; I252-V254 VanDerWaalsContact O-N 3.16Å; I252-I255 HydrophobicContact CB-CD1 4.39Å; I252-I255 HydrophobicContact CB-CG1 4.18Å; I252-I255 WeakPolarHBondContact O-CG1 3.41Å; I252-I255 PolarHBondContact O-N 3.15Å; I252-I256 HydrophobicContact CD1-CD1 4.04Å; I252-I256 HydrophobicContact CG1-CD1 3.9Å; I252-I256 PolarHBondContact O-N 3.41Å; I252-Y371 HydrophobicContact CG2-CE1 4.12Å; I252-L372 HydrophobicContact CG2-CD2 4.07Å; I252-I381 HydrophobicContact CD1-CG1 4.47Å; I252-I381 HydrophobicContact CD1-CG2 3.98Å
253	D	97.3	Very high	96	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-53.9	-36.2	174.2	-61.4	-19.8	0	0	0	110.5	H248 T249 S250 P251 I255 I256 L257 F320 I350 Y352	H248-D253 WeakPolarHBondContact CA-OD2 3.01Å; H248-D253 IonicContact CE1-OD2 2.93Å; H248-D253 IonicContact CG-OD2 3.7Å; H248-D253 IonicContact ND1-OD2 3.24Å; H248-D253 PolarHBondContact ND1-OD2 3.24Å; T249-D253 PolarHBondContact N-OD2 2.94Å; S250-D253 PolarHBondContact N-OD2 3.04Å; S250-D253 WeakPolarHBondContact O-CB 3.42Å; S250-D253 PolarHBondContact O-N 2.76Å; P251-D253 PolarHBondContact O-N 3.11Å; D253-I255 PolarHBondContact O-N 3.12Å; D253-I256 PolarHBondContact O-N 2.87Å; D253-L257 WeakPolarHBondContact O-CG 3.29Å; D253-L257 PolarHBondContact O-N 3.28Å; D253-F320 HydrophobicContact CB-CE1 3.71Å; D253-F320 HydrophobicContact CB-CZ 3.57Å; D253-I350 HydrophobicContact CB-CD1 4.07Å; D253-Y352 WeakPolarHBondContact OD1-CE2 3.36Å; D253-Y352 PolarHBondContact OD1-OH 3.02Å
254	V	95.4	Very high	95.9	Very high	44 Å²	44	10 Å²	10	27%	0.267	6%	0.056	S	C	.	.	H	α-helix	trans	-55.7	-51.9	176.4	177.7	0	0	0	0	111.4	P251 I252 A258 M265 F320	P251-V254 WeakPolarHBondContact O-CB 3.33Å; P251-V254 WeakPolarHBondContact O-CG2 3.35Å; P251-V254 PolarHBondContact O-N 3.17Å; I252-V254 PolarHBondContact O-N 3.46Å; I252-V254 VanDerWaalsContact O-N 3.16Å; V254-A258 WeakPolarHBondContact O-CB 3.47Å; V254-A258 PolarHBondContact O-N 3.33Å; V254-M265 HydrophobicContact CG1-CE 3.25Å; V254-M265 HydrophobicContact CG1-CG 4.48Å; V254-M265 HydrophobicContact CG1-SD 3.65Å; V254-F320 HydrophobicContact CG2-CE2 3.87Å; V254-F320 HydrophobicContact CG2-CZ 4.46Å
255	I	95.9	Very high	95.6	Very high	35 Å²	35	10.6 Å²	10.6	18%	0.179	6%	0.058	C	C	.	.	H	α-helix	trans	-77.3	-25.7	-178.2	60.6	167.5	0	0	0	112.4	Y218 C221 V222 L225 I252 D253 S259	Y218-I255 HydrophobicContact CD1-CG2 3.97Å; Y218-I255 HydrophobicContact CE1-CG2 4.38Å; C221-I255 HydrophobicContact CB-CD1 4.09Å; V222-I255 HydrophobicContact CG1-CB 4.12Å; V222-I255 HydrophobicContact CG1-CD1 4.08Å; V222-I255 HydrophobicContact CG1-CG1 3.98Å; V222-I255 VanDerWaalsContact CG1-O 3.27Å; V222-I255 WeakPolarHBondContact CG1-O 3.35Å; L225-I255 HydrophobicContact CD1-CD1 3.96Å; I252-I255 HydrophobicContact CB-CD1 4.39Å; I252-I255 HydrophobicContact CB-CG1 4.18Å; I252-I255 WeakPolarHBondContact O-CG1 3.41Å; I252-I255 PolarHBondContact O-N 3.15Å; D253-I255 PolarHBondContact O-N 3.12Å; I255-S259 WeakPolarHBondContact O-CB 3.35Å; I255-S259 PolarHBondContact O-N 3.22Å; I255-S259 PolarHBondContact O-OG 3.33Å
256	I	97.1	Very high	95.1	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-67.4	-44.1	174	-78.3	164.9	0	0	0	111	V222 I229 Y231 I252 D253 S259 Y352 V385	V222-I256 HydrophobicContact CG1-CG1 4.44Å; I229-I256 HydrophobicContact CD1-CB 4.29Å; I229-I256 HydrophobicContact CD1-CG1 4.02Å; I229-I256 HydrophobicContact CD1-CG2 4.1Å; I229-I256 HydrophobicContact CG1-CG2 4.5Å; I229-I256 HydrophobicContact CG2-CG2 4.27Å; Y231-I256 PolarHBondContact OH-O 2.85Å; I252-I256 HydrophobicContact CD1-CD1 4.04Å; I252-I256 HydrophobicContact CG1-CD1 3.9Å; I252-I256 PolarHBondContact O-N 3.41Å; D253-I256 PolarHBondContact O-N 2.87Å; I256-S259 PolarHBondContact O-OG 3.33Å; I256-Y352 HydrophobicContact CD1-CE1 3.74Å; I256-Y352 WeakPolarHBondContact CD1-OH 3.39Å; I256-V385 HydrophobicContact CG2-CG2 3.93Å
257	L	97.8	Very high	94.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71	-46.5	174.1	-66	179.3	0	0	0	110.5	A246 D253 S259 D260 G261 Y263 L318 F320 V348 I350 V385	A246-L257 HydrophobicContact CB-CD1 4.02Å; D253-L257 WeakPolarHBondContact O-CG 3.29Å; D253-L257 PolarHBondContact O-N 3.28Å; L257-S259 PolarHBondContact O-N 2.85Å; L257-D260 PolarHBondContact O-N 3.07Å; L257-D260 VanDerWaalsContact O-N 3.1Å; L257-G261 PolarHBondContact O-N 3.36Å; L257-Y263 HydrophobicContact CB-CE2 3.93Å; L257-Y263 WeakPolarHBondContact O-CE2 3.12Å; L257-L318 HydrophobicContact CB-CD2 4.42Å; L257-L318 HydrophobicContact CD1-CD1 3.51Å; L257-L318 HydrophobicContact CD1-CD2 4.09Å; L257-L318 HydrophobicContact CD1-CG 4.47Å; L257-F320 HydrophobicContact CD1-CE1 4.31Å; L257-F320 HydrophobicContact CD1-CZ 4.07Å; L257-V348 HydrophobicContact CD2-CG1 3.75Å; L257-I350 HydrophobicContact CD1-CD1 4.06Å; L257-I350 HydrophobicContact CD2-CD1 3.96Å; L257-I350 HydrophobicContact CD2-CG1 4.31Å; L257-I350 HydrophobicContact CG-CD1 3.96Å; L257-V385 HydrophobicContact CD2-CG1 3.67Å; L257-V385 HydrophobicContact CD2-CG2 4.43Å
258	A	95.6	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-71.4	-10.5	-176.3	0	0	0	0	0	114.7	L215 Y218 V254 D260 G261 Y263 M265	L215-A258 WeakPolarHBondContact CD2-O 3.4Å; Y218-A258 HydrophobicContact CD1-CB 4.45Å; Y218-A258 HydrophobicContact CD2-CB 3.46Å; Y218-A258 VanDerWaalsContact CD2-CB 3.46Å; Y218-A258 VanDerWaalsContact CD2-O 3.28Å; Y218-A258 WeakPolarHBondContact CD2-O 3.47Å; Y218-A258 HydrophobicContact CE2-CB 3.61Å; Y218-A258 HydrophobicContact CG-CB 3.91Å; V254-A258 WeakPolarHBondContact O-CB 3.47Å; V254-A258 PolarHBondContact O-N 3.33Å; A258-D260 PolarHBondContact O-N 3.44Å; A258-G261 CarbonylContact C-O 3.58Å; A258-Y263 HydrophobicContact CB-CD2 4.28Å; A258-M265 HydrophobicContact CB-CE 3.79Å
259	S	94.4	Very high	93.6	Very high	6 Å²	6	18.5 Å²	18.5	4%	0.042	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.5	170.2	56	0	0	0	0	113.6	R219 Y231 I255 I256 L257	R219-S259 PolarHBondContact NE-O 2.91Å; Y231-S259 PolarHBondContact OH-OG 3.41Å; I255-S259 WeakPolarHBondContact O-CB 3.35Å; I255-S259 PolarHBondContact O-N 3.22Å; I255-S259 PolarHBondContact O-OG 3.33Å; I256-S259 PolarHBondContact O-OG 3.33Å; L257-S259 PolarHBondContact O-N 2.85Å
260	D	94.9	Very high	93.1	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.07	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	-32.1	-177.6	-167.3	59.3	0	0	0	114	Y231 R234 R237 L257 A258 Y387	Y231-D260 HydrophobicContact CD1-CB 3.84Å; Y231-D260 VanDerWaalsContact CD1-OD2 3.32Å; Y231-D260 WeakPolarHBondContact CD1-OD2 3.18Å; Y231-D260 HydrophobicContact CD2-CB 4.34Å; Y231-D260 HydrophobicContact CE1-CB 3.3Å; Y231-D260 HydrophobicContact CE2-CB 3.83Å; Y231-D260 HydrophobicContact CG-CB 4.32Å; R234-D260 IonicContact CZ-OD1 3.09Å; R234-D260 IonicContact CZ-OD2 3.85Å; R234-D260 IonicContact NE-OD1 3.97Å; R234-D260 IonicContact NH1-OD1 3.23Å; R234-D260 PolarHBondContact NH1-OD1 2.91Å; R234-D260 IonicContact NH2-OD1 2.7Å; R234-D260 PolarHBondContact NH2-OD1 3.37Å; R234-D260 IonicContact NH2-OD2 3.67Å; R237-D260 IonicContact CZ-OD1 2.73Å; R237-D260 IonicContact CZ-OD2 3.74Å; R237-D260 IonicContact NE-OD2 3.64Å; R237-D260 PolarHBondContact NE-OD2 3.2Å; R237-D260 VanDerWaalsContact NE-OD2 3.07Å; R237-D260 IonicContact NH2-OD1 2.69Å; R237-D260 PolarHBondContact NH2-OD1 2.95Å; R237-D260 IonicContact NH2-OD2 2.67Å; R237-D260 PolarHBondContact NH2-OD2 3.48Å; L257-D260 PolarHBondContact O-N 3.07Å; L257-D260 VanDerWaalsContact O-N 3.1Å; A258-D260 PolarHBondContact O-N 3.44Å; D260-Y387 WeakPolarHBondContact OD2-CE2 3.29Å; D260-Y387 PolarHBondContact OD2-OH 3.34Å
261	G	92.3	Very high	92.8	Very high	9 Å²	9	25.7 Å²	25.7	9%	0.093	16%	0.158	C	C	.	.	S	Bend	trans	-107.3	177.1	170	0	0	0	0	0	113.2	L215 L257 A258	L215-G261 WeakPolarHBondContact CD2-O 3.4Å; L257-G261 PolarHBondContact O-N 3.36Å; A258-G261 CarbonylContact C-O 3.58Å
262	Y	92.6	Very high	92.7	Very high	35 Å²	35	27.1 Å²	27.1	14%	0.137	18%	0.179	C	C	.	.			trans	-131.6	107.9	178.6	-175	-138	0	0	0	108.9	S210 K211 H214 L315	S210-Y262 VanDerWaalsContact CB-OH 3.29Å; S210-Y262 WeakPolarHBondContact CB-OH 3.28Å; S210-Y262 PolarHBondContact OG-OH 2.76Å; K211-Y262 HydrophobicContact CB-CD1 3.9Å; K211-Y262 HydrophobicContact CB-CE1 3.73Å; K211-Y262 HydrophobicContact CB-CG 4.43Å; K211-Y262 HydrophobicContact CD-CD1 4.29Å; K211-Y262 HydrophobicContact CG-CD1 3.82Å; K211-Y262 HydrophobicContact CG-CE1 4.2Å; K211-Y262 HydrophobicContact CG-CG 4.09Å; H214-Y262 HydrophobicContact CB-CD2 4.22Å; H214-Y262 HydrophobicContact CB-CE2 3.86Å; H214-Y262 AromaticContact CG-CE2 3.85Å; H214-Y262 AromaticContact ND1-CE2 3.82Å; Y262-L315 HydrophobicContact CD1-CD1 3.55Å; Y262-L315 HydrophobicContact CD1-CD2 3.32Å; Y262-L315 HydrophobicContact CD1-CG 4.08Å; Y262-L315 HydrophobicContact CD2-CD1 3.89Å; Y262-L315 HydrophobicContact CE1-CD1 3.38Å; Y262-L315 HydrophobicContact CE1-CD2 3.47Å; Y262-L315 VanDerWaalsContact CE1-CD2 3.47Å; Y262-L315 HydrophobicContact CE1-CG 4Å; Y262-L315 HydrophobicContact CE2-CD1 3.7Å; Y262-L315 HydrophobicContact CG-CD1 3.79Å; Y262-L315 HydrophobicContact CG-CD2 4.16Å; Y262-L315 VanDerWaalsContact CZ-CD1 3.44Å
263	Y	95.4	Very high	92.3	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.02	21%	0.207	C	C	.	.			trans	-124.1	145.7	-163.2	-56.6	-72.7	0	0	0	112.5	P238 C244 L257 A258 M265 H287 P316 L318	P238-Y263 HydrophobicContact CB-CE1 3.89Å; P238-Y263 HydrophobicContact CG-CE1 3.72Å; C244-Y263 HydrophobicContact CB-CD1 4.2Å; C244-Y263 HydrophobicContact CB-CE1 3.97Å; L257-Y263 HydrophobicContact CB-CE2 3.93Å; L257-Y263 WeakPolarHBondContact O-CE2 3.12Å; A258-Y263 HydrophobicContact CB-CD2 4.28Å; Y263-M265 PolarHBondContact O-N 3.46Å; Y263-H287 PolarHBondContact O-CE1 3.16Å; Y263-P316 WeakPolarHBondContact CA-O 3.24Å; Y263-P316 HydrophobicContact CD1-CB 4.33Å; Y263-P316 HydrophobicContact CD1-CG 3.86Å; Y263-P316 HydrophobicContact CE1-CG 4.21Å; Y263-L318 HydrophobicContact CD1-CB 4.42Å; Y263-L318 HydrophobicContact CG-CB 4.16Å
264	A	94.8	Very high	91.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	109.9	160.1	0	0	0	0	0	109.3	L315 P316 I317 L318	A264-L315 HydrophobicContact CB-CB 4.12Å; A264-P316 PolarHBondContact N-O 3.49Å; A264-I317 WeakPolarHBondContact O-CA 3.06Å; A264-L318 PolarHBondContact O-N 3.03Å
265	M	92.1	Very high	91.6	Very high	11 Å²	11	34.9 Å²	34.9	5%	0.054	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142.8	171.9	-53.4	-53.8	-178.6	0	0	112.7	V254 A258 Y263 M281 H287 V288 W289 L318	V254-M265 HydrophobicContact CG1-CE 3.25Å; V254-M265 HydrophobicContact CG1-CG 4.48Å; V254-M265 HydrophobicContact CG1-SD 3.65Å; A258-M265 HydrophobicContact CB-CE 3.79Å; Y263-M265 PolarHBondContact O-N 3.46Å; M265-M281 HydrophobicContact CG-CE 4.41Å; M265-H287 PolarHBondContact N-ND1 3.2Å; M265-V288 PolarHBondContact O-N 2.94Å; M265-W289 HydrophobicContact CB-CH2 3.77Å; M265-W289 HydrophobicContact CB-CZ2 4.24Å; M265-W289 HydrophobicContact CB-CZ3 4.45Å; M265-L318 HydrophobicContact CE-CD2 4.26Å; M265-L318 HydrophobicContact SD-CB 4.16Å; M265-L318 HydrophobicContact SD-CD2 3.82Å
266	V	88.8	Confident	91.4	Very high	44 Å²	44	36 Å²	36	27%	0.267	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.1	169.2	175.2	0	0	0	0	109.5	V288 F290 L305 I317 I319	V266-V288 VanDerWaalsContact CA-O 3.28Å; V266-V288 WeakPolarHBondContact CA-O 3.35Å; V266-V288 HydrophobicContact CG2-CB 4.02Å; V266-F290 HydrophobicContact CG1-CD2 4.2Å; V266-F290 HydrophobicContact CG1-CE2 3.85Å; V266-L305 HydrophobicContact CG1-CD2 4.44Å; V266-L305 HydrophobicContact CG2-CD2 3.72Å; V266-I317 HydrophobicContact CG2-CG2 3.41Å; V266-I317 VanDerWaalsContact CG2-CG2 3.41Å; V266-I319 HydrophobicContact CG2-CG1 4.47Å
267	G	86.3	Confident	91.1	Very high	23 Å²	23	37 Å²	37	24%	0.237	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-175.8	173.8	0	0	0	0	0	114.3	V288 W289 F290	G267-V288 PolarHBondContact N-O 3.01Å; G267-V288 VanDerWaalsContact N-O 3.15Å; G267-W289 CarbonylContact O-C 3.51Å; G267-W289 WeakPolarHBondContact O-CA 2.86Å; G267-F290 PolarHBondContact O-N 3.18Å
268	Q	86.4	Confident	90.9	Very high	57 Å²	57	37.5 Å²	37.5	27%	0.266	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	150.4	174.4	-152.6	-162.3	-86.5	0	0	110.5	H270 Q278 F290 R292 V295	Q268-H270 PolarHBondContact O-CD2 3.41Å; Q268-Q278 PolarHBondContact O-NE2 2.79Å; Q268-F290 CarbonylContact C-O 3.6Å; Q268-F290 WeakPolarHBondContact CA-O 3.39Å; Q268-R292 HydrophobicContact CG-CB 4.48Å; Q268-V295 HydrophobicContact CG-CG2 4.28Å
269	V	86.9	Confident	90.7	Very high	69 Å²	69	44.6 Å²	44.6	42%	0.418	26%	0.259	S	S	.	.			trans	-67.3	134.3	166.8	178.6	0	0	0	0	109.6	W289 F290	V269-W289 HydrophobicContact CG2-CB 3.69Å; V269-F290 PolarHBondContact N-O 3.34Å
270	H	86.6	Confident	90.6	Very high	92 Å²	92	44.5 Å²	44.5	43%	0.426	26%	0.259	S	S	.	.			trans	-119.1	153.6	176.7	-69.2	-95	0	0	0	111.8	Q268 M274 G275	Q268-H270 PolarHBondContact O-CD2 3.41Å; H270-M274 HydrophobicContact CB-CB 3.86Å; H270-G275 WeakPolarHBondContact O-CA 3.27Å; H270-G275 PolarHBondContact O-N 3.41Å
271	G	88.9	Confident	90.4	Very high	60 Å²	60	44.5 Å²	44.5	62%	0.619	26%	0.259	S	S	*	.			trans	-85.7	-171.1	169	0	0	0	0	0	113.2	G275	G271-G275 PolarHBondContact O-N 2.9Å; G271-G275 VanDerWaalsContact O-N 3.09Å
272	G	91.1	Very high	90.4	Very high	61 Å²	61	47.1 Å²	47.1	63%	0.629	27%	0.272	S	S	*	.	H	α-helix	trans	58.5	-146.5	174.6	0	0	0	0	0	114	M274 G275 V276	G272-M274 VanDerWaalsContact C-N 3.34Å; G272-M274 PolarHBondContact O-N 2.9Å; G272-G275 PolarHBondContact O-N 3.23Å; G272-V276 PolarHBondContact O-N 3.12Å; G272-V276 VanDerWaalsContact O-N 3.17Å
273	L	87.6	Confident	90.2	Very high	118 Å²	118	50.3 Å²	50.3	62%	0.618	29%	0.287	S	S	*	.	H	α-helix	trans	-59.5	-41.1	-179.4	179.8	61.9	0	0	0	112.6	G275 V276 I277	L273-G275 VanDerWaalsContact C-N 3.31Å; L273-G275 PolarHBondContact O-N 2.97Å; L273-V276 WeakPolarHBondContact O-CB 3.45Å; L273-V276 PolarHBondContact O-N 3Å; L273-V276 VanDerWaalsContact O-N 3.15Å; L273-I277 HydrophobicContact CD1-CD1 4.42Å; L273-I277 HydrophobicContact CG-CD1 4.12Å; L273-I277 WeakPolarHBondContact O-CG1 3.24Å; L273-I277 PolarHBondContact O-N 3.44Å
274	M	87.3	Confident	89.7	Confident	93 Å²	93	50.5 Å²	50.5	46%	0.458	29%	0.29	S	S	.	.	H	α-helix	trans	-62.4	-39.8	177.8	-74.6	-57.1	-61.5	0	0	111.8	H270 G272 V276 I277 Q278	H270-M274 HydrophobicContact CB-CB 3.86Å; G272-M274 VanDerWaalsContact C-N 3.34Å; G272-M274 PolarHBondContact O-N 2.9Å; M274-V276 VanDerWaalsContact C-N 3.33Å; M274-V276 PolarHBondContact O-N 3.47Å; M274-I277 PolarHBondContact O-N 2.92Å; M274-I277 HydrophobicContact SD-CD1 4.33Å; M274-Q278 WeakPolarHBondContact O-CB 3.18Å; M274-Q278 VanDerWaalsContact O-CG 3.32Å; M274-Q278 WeakPolarHBondContact O-CG 2.76Å; M274-Q278 PolarHBondContact O-N 2.76Å
275	G	90	Very high	89.3	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-37.4	174	0	0	0	0	0	113.4	H270 G271 G272 L273 R279	H270-G275 WeakPolarHBondContact O-CA 3.27Å; H270-G275 PolarHBondContact O-N 3.41Å; G271-G275 PolarHBondContact O-N 2.9Å; G271-G275 VanDerWaalsContact O-N 3.09Å; G272-G275 PolarHBondContact O-N 3.23Å; L273-G275 VanDerWaalsContact C-N 3.31Å; L273-G275 PolarHBondContact O-N 2.97Å; G275-R279 WeakPolarHBondContact O-CB 3.43Å; G275-R279 WeakPolarHBondContact O-CG 3.34Å; G275-R279 PolarHBondContact O-N 2.86Å; G275-R279 PolarHBondContact O-NH1 2.96Å
276	V	92.5	Very high	88.9	Confident	60 Å²	60	53.5 Å²	53.5	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-46.5	174.3	174.8	0	0	0	0	110.6	V191 G272 L273 M274 R279 A280	V191-V276 HydrophobicContact CG1-CG1 4.34Å; G272-V276 PolarHBondContact O-N 3.12Å; G272-V276 VanDerWaalsContact O-N 3.17Å; L273-V276 WeakPolarHBondContact O-CB 3.45Å; L273-V276 PolarHBondContact O-N 3Å; L273-V276 VanDerWaalsContact O-N 3.15Å; M274-V276 VanDerWaalsContact C-N 3.33Å; M274-V276 PolarHBondContact O-N 3.47Å; V276-R279 PolarHBondContact O-N 3.19Å; V276-A280 WeakPolarHBondContact O-CB 3.48Å; V276-A280 PolarHBondContact O-N 3.31Å
277	I	92	Very high	88.9	Confident	19 Å²	19	52.1 Å²	52.1	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-48	178.1	-64.6	166.7	0	0	0	110.6	I187 L190 V191 L273 M274 R279 A280 M281	I187-I277 HydrophobicContact CG2-CD1 3.8Å; I187-I277 HydrophobicContact CG2-CG1 4.11Å; L190-I277 HydrophobicContact CD2-CG2 4.13Å; V191-I277 HydrophobicContact CG2-CG1 4.1Å; L273-I277 HydrophobicContact CD1-CD1 4.42Å; L273-I277 HydrophobicContact CG-CD1 4.12Å; L273-I277 WeakPolarHBondContact O-CG1 3.24Å; L273-I277 PolarHBondContact O-N 3.44Å; M274-I277 PolarHBondContact O-N 2.92Å; M274-I277 HydrophobicContact SD-CD1 4.33Å; I277-R279 PolarHBondContact O-N 3.43Å; I277-A280 PolarHBondContact O-N 3.44Å; I277-M281 HydrophobicContact CG2-CG 4.3Å; I277-M281 HydrophobicContact CG2-SD 3.69Å; I277-M281 WeakPolarHBondContact O-CG 3.13Å; I277-M281 PolarHBondContact O-N 3.16Å
278	Q	92.4	Very high	89.1	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-57.6	-48.3	178.2	-74.6	178.8	-41	0	0	111.7	Q268 M274 A280 M281 V282 W289	Q268-Q278 PolarHBondContact O-NE2 2.79Å; M274-Q278 WeakPolarHBondContact O-CB 3.18Å; M274-Q278 VanDerWaalsContact O-CG 3.32Å; M274-Q278 WeakPolarHBondContact O-CG 2.76Å; M274-Q278 PolarHBondContact O-N 2.76Å; Q278-A280 VanDerWaalsContact C-N 3.32Å; Q278-A280 PolarHBondContact O-N 3.37Å; Q278-M281 PolarHBondContact O-N 2.92Å; Q278-V282 VanDerWaalsContact O-CG2 3.27Å; Q278-V282 WeakPolarHBondContact O-CG2 3.42Å; Q278-V282 PolarHBondContact O-N 3.25Å; Q278-V282 VanDerWaalsContact O-N 3.09Å; Q278-W289 HydrophobicContact CB-CZ2 4.34Å; Q278-W289 HydrophobicContact CG-CD2 4.25Å; Q278-W289 HydrophobicContact CG-CE3 4.48Å; Q278-W289 HydrophobicContact CG-CH2 4.06Å; Q278-W289 HydrophobicContact CG-CZ2 3.79Å; Q278-W289 HydrophobicContact CG-CZ3 4.4Å
279	R	92.3	Very high	89.2	Confident	148 Å²	148	51.9 Å²	51.9	56%	0.558	29%	0.292	S	S	*	.	H	α-helix	trans	-62.8	-36.9	178.4	-75.2	-171.7	-62.1	-86	3.6	112.8	G275 V276 I277 K283	G275-R279 WeakPolarHBondContact O-CB 3.43Å; G275-R279 WeakPolarHBondContact O-CG 3.34Å; G275-R279 PolarHBondContact O-N 2.86Å; G275-R279 PolarHBondContact O-NH1 2.96Å; V276-R279 PolarHBondContact O-N 3.19Å; I277-R279 PolarHBondContact O-N 3.43Å; R279-K283 WeakPolarHBondContact O-CG 3.39Å
280	A	91.8	Very high	89.2	Confident	5 Å²	5	48.8 Å²	48.8	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-68.3	-47.4	176.7	0	0	0	0	0	111.3	V191 T194 V276 I277 Q278 V282 K283	V191-A280 HydrophobicContact CB-CB 4.3Å; V191-A280 HydrophobicContact CG1-CB 4.06Å; V191-A280 HydrophobicContact CG2-CB 4.32Å; T194-A280 WeakPolarHBondContact CB-O 3.24Å; T194-A280 VanDerWaalsContact OG1-C 3.29Å; T194-A280 WeakPolarHBondContact OG1-CB 3.07Å; T194-A280 PolarHBondContact OG1-O 3.39Å; V276-A280 WeakPolarHBondContact O-CB 3.48Å; V276-A280 PolarHBondContact O-N 3.31Å; I277-A280 PolarHBondContact O-N 3.44Å; Q278-A280 VanDerWaalsContact C-N 3.32Å; Q278-A280 PolarHBondContact O-N 3.37Å; A280-V282 PolarHBondContact O-N 2.92Å; A280-K283 WeakPolarHBondContact O-CB 3.39Å; A280-K283 PolarHBondContact O-N 2.87Å
281	M	91.4	Very high	89.1	Confident	13 Å²	13	50 Å²	50	6%	0.064	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-41.7	-179.5	-72.1	175.2	53.8	0	0	112.9	L190 Y218 M265 I277 Q278 K283 A284 C285 H287	L190-M281 HydrophobicContact CD2-CG 4.28Å; L190-M281 HydrophobicContact CD2-SD 4.11Å; L190-M281 HydrophobicContact CG-CG 4.41Å; Y218-M281 WeakPolarHBondContact OH-CE 3.23Å; M265-M281 HydrophobicContact CG-CE 4.41Å; I277-M281 HydrophobicContact CG2-CG 4.3Å; I277-M281 HydrophobicContact CG2-SD 3.69Å; I277-M281 WeakPolarHBondContact O-CG 3.13Å; I277-M281 PolarHBondContact O-N 3.16Å; Q278-M281 PolarHBondContact O-N 2.92Å; M281-K283 PolarHBondContact O-N 2.87Å; M281-A284 PolarHBondContact O-N 3.43Å; M281-C285 PolarHBondContact O-N 3.15Å; M281-H287 VanDerWaalsContact CE-NE2 3.3Å; M281-H287 WeakPolarHBondContact CE-NE2 3.47Å
282	V	91	Very high	88.7	Confident	63 Å²	63	55.9 Å²	55.9	38%	0.382	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-29.6	179.8	172.5	0	0	0	0	112.7	Q278 A280 A284 C285 H287	Q278-V282 VanDerWaalsContact O-CG2 3.27Å; Q278-V282 WeakPolarHBondContact O-CG2 3.42Å; Q278-V282 PolarHBondContact O-N 3.25Å; Q278-V282 VanDerWaalsContact O-N 3.09Å; A280-V282 PolarHBondContact O-N 2.92Å; V282-A284 PolarHBondContact O-N 3.27Å; V282-C285 CarbonylContact C-O 3.57Å; V282-C285 VanDerWaalsContact CA-O 3.32Å; V282-C285 WeakPolarHBondContact CA-O 3.33Å; V282-H287 HydrophobicContact CG2-CB 4.11Å
283	K	89	Confident	88.1	Confident	102 Å²	102	56.8 Å²	56.8	44%	0.443	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-31.1	177.8	-63.8	176	-179.8	-175.4	0	112.4	T195 G198 R279 A280 M281	T195-K283 HydrophobicContact CG2-CD 4.39Å; G198-K283 WeakPolarHBondContact CA-O 3.47Å; R279-K283 WeakPolarHBondContact O-CG 3.39Å; A280-K283 WeakPolarHBondContact O-CB 3.39Å; A280-K283 PolarHBondContact O-N 2.87Å; M281-K283 PolarHBondContact O-N 2.87Å
284	A	85.3	Confident	87.6	Confident	10 Å²	10	53.2 Å²	53.2	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-101.2	-23.4	-175.2	0	0	0	0	0	113.6	T194 V197 S210 M281 V282	T194-A284 HydrophobicContact CG2-CB 3.98Å; V197-A284 HydrophobicContact CB-CB 4.15Å; V197-A284 HydrophobicContact CG1-CB 3.9Å; S210-A284 WeakPolarHBondContact CB-O 3.27Å; S210-A284 WeakPolarHBondContact OG-CB 3.28Å; S210-A284 PolarHBondContact OG-O 3.39Å; M281-A284 PolarHBondContact O-N 3.43Å; V282-A284 PolarHBondContact O-N 3.27Å
285	C	85.6	Confident	86.9	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.034	26%	0.258	C	S	.	.	S	Bend	trans	-152	138.2	-178	170.8	0	0	0	0	111	M281 V282 H287 L315	M281-C285 PolarHBondContact O-N 3.15Å; V282-C285 CarbonylContact C-O 3.57Å; V282-C285 VanDerWaalsContact CA-O 3.32Å; V282-C285 WeakPolarHBondContact CA-O 3.33Å; C285-H287 VanDerWaalsContact C-N 3.34Å; C285-H287 PolarHBondContact O-CD2 3.34Å; C285-H287 VanDerWaalsContact O-CD2 3.26Å; C285-H287 PolarHBondContact O-N 2.78Å; C285-L315 WeakPolarHBondContact SG-CD1 3.46Å
286	P	83.4	Confident	86.3	Confident	68 Å²	68	60.8 Å²	60.8	44%	0.442	30%	0.295	S	S	.	.			trans	-73.3	82.5	-178.7	31.1	-35.8	0	0	0	111.9	H308 K314	P286-H308 PolarHBondContact O-CE1 3.13Å; P286-K314 HydrophobicContact CG-CG 4.35Å
287	H	90	Very high	85.8	Confident	15 Å²	15	61.5 Å²	61.5	7%	0.069	30%	0.297	C	S	.	.			trans	-76.4	149.1	167.8	-66.1	-71.9	0	0	0	111.2	Y263 M265 M281 V282 C285 W289	Y263-H287 PolarHBondContact O-CE1 3.16Å; M265-H287 PolarHBondContact N-ND1 3.2Å; M281-H287 VanDerWaalsContact CE-NE2 3.3Å; M281-H287 WeakPolarHBondContact CE-NE2 3.47Å; V282-H287 HydrophobicContact CG2-CB 4.11Å; C285-H287 VanDerWaalsContact C-N 3.34Å; C285-H287 PolarHBondContact O-CD2 3.34Å; C285-H287 VanDerWaalsContact O-CD2 3.26Å; C285-H287 PolarHBondContact O-N 2.78Å; H287-W289 HydrophobicContact CB-CZ2 3.84Å
288	V	89.1	Confident	85.3	Confident	19 Å²	19	70.4 Å²	70.4	12%	0.115	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	103.4	-177.7	-174.6	0	0	0	0	109.3	M265 V266 G267 F290	M265-V288 PolarHBondContact O-N 2.94Å; V266-V288 VanDerWaalsContact CA-O 3.28Å; V266-V288 WeakPolarHBondContact CA-O 3.35Å; V266-V288 HydrophobicContact CG2-CB 4.02Å; G267-V288 PolarHBondContact N-O 3.01Å; G267-V288 VanDerWaalsContact N-O 3.15Å; V288-F290 HydrophobicContact CG1-CD2 4.24Å; V288-F290 HydrophobicContact CG1-CE2 3.49Å; V288-F290 VanDerWaalsContact CG1-CE2 3.49Å; V288-F290 HydrophobicContact CG1-CZ 3.73Å
289	W	89.4	Confident	85	Confident	56 Å²	56	77.5 Å²	77.5	21%	0.212	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.2	176.7	-52.3	112.3	0	0	0	110.6	M265 G267 V269 Q278 H287	M265-W289 HydrophobicContact CB-CH2 3.77Å; M265-W289 HydrophobicContact CB-CZ2 4.24Å; M265-W289 HydrophobicContact CB-CZ3 4.45Å; G267-W289 CarbonylContact O-C 3.51Å; G267-W289 WeakPolarHBondContact O-CA 2.86Å; V269-W289 HydrophobicContact CG2-CB 3.69Å; Q278-W289 HydrophobicContact CB-CZ2 4.34Å; Q278-W289 HydrophobicContact CG-CD2 4.25Å; Q278-W289 HydrophobicContact CG-CE3 4.48Å; Q278-W289 HydrophobicContact CG-CH2 4.06Å; Q278-W289 HydrophobicContact CG-CZ2 3.79Å; Q278-W289 HydrophobicContact CG-CZ3 4.4Å; H287-W289 HydrophobicContact CB-CZ2 3.84Å
290	F	85.8	Confident	84.7	Confident	5 Å²	5	72.7 Å²	72.7	2%	0.022	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	141.2	179	-68.4	-85.2	0	0	0	110.9	V266 G267 Q268 V269 V288 E294 V295 V301 R304	V266-F290 HydrophobicContact CG1-CD2 4.2Å; V266-F290 HydrophobicContact CG1-CE2 3.85Å; G267-F290 PolarHBondContact O-N 3.18Å; Q268-F290 CarbonylContact C-O 3.6Å; Q268-F290 WeakPolarHBondContact CA-O 3.39Å; V269-F290 PolarHBondContact N-O 3.34Å; V288-F290 HydrophobicContact CG1-CD2 4.24Å; V288-F290 HydrophobicContact CG1-CE2 3.49Å; V288-F290 VanDerWaalsContact CG1-CE2 3.49Å; V288-F290 HydrophobicContact CG1-CZ 3.73Å; F290-E294 HydrophobicContact CB-CB 4.47Å; F290-E294 HydrophobicContact CD1-CB 4.23Å; F290-V295 HydrophobicContact CB-CG2 3.52Å; F290-V295 HydrophobicContact CG-CG2 4.41Å; F290-V301 HydrophobicContact CD1-CG2 3.98Å; F290-V301 HydrophobicContact CE1-CB 4.16Å; F290-V301 HydrophobicContact CE1-CG1 4.45Å; F290-V301 HydrophobicContact CE1-CG2 3.7Å; F290-V301 HydrophobicContact CE2-CG1 4.34Å; F290-V301 HydrophobicContact CZ-CB 4.16Å; F290-V301 HydrophobicContact CZ-CG1 3.96Å; F290-V301 HydrophobicContact CZ-CG2 4.03Å; F290-R304 HydrophobicContact CE1-CB 4.28Å; F290-R304 HydrophobicContact CE1-CG 4.42Å; F290-R304 HydrophobicContact CZ-CB 4.14Å
291	E	85.4	Confident	84.5	Confident	118 Å²	118	74 Å²	74	55%	0.551	36%	0.355	S	S	*	.			trans	-70.3	154.8	166.1	-63.9	-165.7	175.1	0	0	111	S293 E294 V295	E291-S293 PolarHBondContact O-N 2.95Å; E291-S293 VanDerWaalsContact O-N 3.16Å; E291-E294 HydrophobicContact CB-CB 4.5Å; E291-E294 HydrophobicContact CB-CG 4.09Å; E291-E294 PolarHBondContact N-OE2 3.36Å; E291-E294 VanDerWaalsContact N-OE2 3.12Å; E291-E294 WeakPolarHBondContact O-CB 3.41Å; E291-E294 PolarHBondContact O-N 3.09Å; E291-V295 WeakPolarHBondContact O-CG2 3.44Å; E291-V295 PolarHBondContact O-N 3.48Å
292	R	80.2	Confident	84.4	Confident	183 Å²	183	74.7 Å²	74.7	69%	0.691	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.7	-177.7	-175.9	179	-83.4	177.6	-4.9	112.8	Q268	Q268-R292 HydrophobicContact CG-CB 4.48Å
293	S	79.4	Confident	84.4	Confident	80 Å²	80	77.9 Å²	77.9	56%	0.559	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-46.2	172.8	44.3	0	0	0	0	111.6	E291 V295 K296	E291-S293 PolarHBondContact O-N 2.95Å; E291-S293 VanDerWaalsContact O-N 3.16Å; S293-V295 PolarHBondContact O-N 3.47Å; S293-K296 PolarHBondContact O-N 2.93Å
294	E	77.2	Confident	84.4	Confident	42 Å²	42	76.9 Å²	76.9	20%	0.196	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-67.5	-32.9	-177.6	-64	-176.9	141.7	0	0	113.3	F290 E291 K296 D297 L300 R304	F290-E294 HydrophobicContact CB-CB 4.47Å; F290-E294 HydrophobicContact CD1-CB 4.23Å; E291-E294 HydrophobicContact CB-CB 4.5Å; E291-E294 HydrophobicContact CB-CG 4.09Å; E291-E294 PolarHBondContact N-OE2 3.36Å; E291-E294 VanDerWaalsContact N-OE2 3.12Å; E291-E294 WeakPolarHBondContact O-CB 3.41Å; E291-E294 PolarHBondContact O-N 3.09Å; E294-K296 PolarHBondContact O-N 3.31Å; E294-K296 VanDerWaalsContact O-N 3.09Å; E294-D297 PolarHBondContact O-N 3.34Å; E294-L300 HydrophobicContact CB-CD2 3.85Å; E294-L300 HydrophobicContact CG-CD2 3.73Å; E294-R304 IonicContact OE1-CZ 3.57Å; E294-R304 IonicContact OE1-NH1 2.77Å; E294-R304 PolarHBondContact OE1-NH1 3.1Å; E294-R304 IonicContact OE1-NH2 2.7Å; E294-R304 PolarHBondContact OE1-NH2 3.48Å; E294-R304 IonicContact OE2-CZ 3.54Å; E294-R304 IonicContact OE2-NH1 2.75Å; E294-R304 PolarHBondContact OE2-NH1 3.37Å; E294-R304 IonicContact OE2-NH2 3.04Å
295	V	72.3	Confident	84.8	Confident	71 Å²	71	76.9 Å²	76.9	43%	0.43	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-59.4	-24.6	178.5	175.7	0	0	0	0	112.1	Q268 F290 E291 S293	Q268-V295 HydrophobicContact CG-CG2 4.28Å; F290-V295 HydrophobicContact CB-CG2 3.52Å; F290-V295 HydrophobicContact CG-CG2 4.41Å; E291-V295 WeakPolarHBondContact O-CG2 3.44Å; E291-V295 PolarHBondContact O-N 3.48Å; S293-V295 PolarHBondContact O-N 3.47Å
296	K	75.9	Confident	85.1	Confident	182 Å²	182	78.4 Å²	78.4	79%	0.791	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-77.1	-23.3	176.4	-63.1	-175.4	178.2	-177.1	0	112.6	S293 E294 R298	S293-K296 PolarHBondContact O-N 2.93Å; E294-K296 PolarHBondContact O-N 3.31Å; E294-K296 VanDerWaalsContact O-N 3.09Å; K296-R298 PolarHBondContact O-N 3.05Å
297	D	83.2	Confident	85.6	Confident	76 Å²	76	79.7 Å²	79.7	41%	0.406	37%	0.373	S	S	.	.			trans	-86.9	96.3	177.8	-172.8	-14.7	0	0	0	110.6	E294 H299 L300 V301	E294-D297 PolarHBondContact O-N 3.34Å; D297-H299 PolarHBondContact O-N 3.16Å; D297-H299 WeakPolarHBondContact OD1-CB 3.43Å; D297-H299 PolarHBondContact OD1-N 2.92Å; D297-L300 HydrophobicContact CB-CB 3.95Å; D297-L300 PolarHBondContact O-N 3.13Å; D297-L300 PolarHBondContact OD1-N 3.46Å; D297-L300 VanDerWaalsContact OD1-N 3.13Å; D297-V301 WeakPolarHBondContact O-CG2 3.45Å; D297-V301 PolarHBondContact O-N 3.38Å; D297-V301 VanDerWaalsContact O-N 3.09Å
298	R	81.3	Confident	85.8	Confident	206 Å²	206	79.4 Å²	79.4	78%	0.777	37%	0.371	S	S	*	.	H	α-helix	trans	-60.8	-33.2	179.4	-63.9	-177.7	-177.7	170.3	2.2	112.8	K296 A302	K296-R298 PolarHBondContact O-N 3.05Å; R298-A302 VanDerWaalsContact O-CB 3.29Å; R298-A302 WeakPolarHBondContact O-CB 3.3Å; R298-A302 PolarHBondContact O-N 3.25Å
299	H	85.9	Confident	86	Confident	161 Å²	161	78.8 Å²	78.8	75%	0.745	37%	0.368	S	S	*	.	H	α-helix	trans	-71.5	-43.7	-178.7	-68.8	90	0	0	0	110.5	D297 V301 A302 K303	D297-H299 PolarHBondContact O-N 3.16Å; D297-H299 WeakPolarHBondContact OD1-CB 3.43Å; D297-H299 PolarHBondContact OD1-N 2.92Å; H299-V301 PolarHBondContact O-N 3.3Å; H299-A302 PolarHBondContact O-N 2.93Å; H299-K303 VanDerWaalsContact O-CB 3.29Å; H299-K303 WeakPolarHBondContact O-CB 3.47Å; H299-K303 PolarHBondContact O-N 2.94Å
300	L	86.9	Confident	86.2	Confident	47 Å²	47	82.7 Å²	82.7	25%	0.246	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-44.6	175.5	179.6	61.2	0	0	0	111.7	E294 D297 K303 R304	E294-L300 HydrophobicContact CB-CD2 3.85Å; E294-L300 HydrophobicContact CG-CD2 3.73Å; D297-L300 HydrophobicContact CB-CB 3.95Å; D297-L300 PolarHBondContact O-N 3.13Å; D297-L300 PolarHBondContact OD1-N 3.46Å; D297-L300 VanDerWaalsContact OD1-N 3.13Å; L300-K303 PolarHBondContact O-N 3.49Å; L300-R304 HydrophobicContact CD1-CG 4.43Å; L300-R304 PolarHBondContact O-N 3.32Å
301	V	86.8	Confident	86.5	Confident	33 Å²	33	85.3 Å²	85.3	20%	0.2	40%	0.403	C	S	.	.	H	α-helix	trans	-60.7	-51	176.7	174.1	0	0	0	0	110.7	F290 D297 H299 K303 R304 L305	F290-V301 HydrophobicContact CD1-CG2 3.98Å; F290-V301 HydrophobicContact CE1-CB 4.16Å; F290-V301 HydrophobicContact CE1-CG1 4.45Å; F290-V301 HydrophobicContact CE1-CG2 3.7Å; F290-V301 HydrophobicContact CE2-CG1 4.34Å; F290-V301 HydrophobicContact CZ-CB 4.16Å; F290-V301 HydrophobicContact CZ-CG1 3.96Å; F290-V301 HydrophobicContact CZ-CG2 4.03Å; D297-V301 WeakPolarHBondContact O-CG2 3.45Å; D297-V301 PolarHBondContact O-N 3.38Å; D297-V301 VanDerWaalsContact O-N 3.09Å; H299-V301 PolarHBondContact O-N 3.3Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.34Å; V301-R304 PolarHBondContact O-N 3.48Å; V301-L305 HydrophobicContact CG1-CD1 3.86Å; V301-L305 HydrophobicContact CG1-CG 4.38Å; V301-L305 VanDerWaalsContact O-CG 3.28Å; V301-L305 WeakPolarHBondContact O-CG 3.34Å; V301-L305 PolarHBondContact O-N 3.15Å
302	A	88.6	Confident	86.8	Confident	27 Å²	27	85.7 Å²	85.7	22%	0.223	40%	0.402	C	S	.	.	H	α-helix	trans	-59.2	-42.9	179.2	0	0	0	0	0	112	R298 H299 L305 T306	R298-A302 VanDerWaalsContact O-CB 3.29Å; R298-A302 WeakPolarHBondContact O-CB 3.3Å; R298-A302 PolarHBondContact O-N 3.25Å; H299-A302 PolarHBondContact O-N 2.93Å; A302-L305 PolarHBondContact O-N 3.36Å; A302-T306 WeakPolarHBondContact O-CB 3.36Å; A302-T306 PolarHBondContact O-N 3.25Å; A302-T306 PolarHBondContact O-OG1 3.06Å
303	K	90.9	Very high	87.2	Confident	129 Å²	129	80.5 Å²	80.5	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-60	-52.3	177.4	-179.2	176.7	173.6	178.6	0	111.9	H299 L300 V301 L305 T306 E307	H299-K303 VanDerWaalsContact O-CB 3.29Å; H299-K303 WeakPolarHBondContact O-CB 3.47Å; H299-K303 PolarHBondContact O-N 2.94Å; L300-K303 PolarHBondContact O-N 3.49Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.34Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 2.87Å; K303-T306 WeakPolarHBondContact O-CB 3.35Å; K303-T306 PolarHBondContact O-N 3.06Å; K303-T306 VanDerWaalsContact O-N 3.16Å; K303-E307 WeakPolarHBondContact CE-OE1 3.44Å; K303-E307 WeakPolarHBondContact CG-OE1 3.49Å; K303-E307 WeakPolarHBondContact O-CG 3.12Å; K303-E307 PolarHBondContact O-N 2.89Å
304	R	90.8	Very high	87.7	Confident	82 Å²	82	79.4 Å²	79.4	31%	0.309	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-40	-179.5	-74.6	-166.6	-176.9	154	4.8	112.6	F290 E294 L300 V301 T306 H308	F290-R304 HydrophobicContact CE1-CB 4.28Å; F290-R304 HydrophobicContact CE1-CG 4.42Å; F290-R304 HydrophobicContact CZ-CB 4.14Å; E294-R304 IonicContact OE1-CZ 3.57Å; E294-R304 IonicContact OE1-NH1 2.77Å; E294-R304 PolarHBondContact OE1-NH1 3.1Å; E294-R304 IonicContact OE1-NH2 2.7Å; E294-R304 PolarHBondContact OE1-NH2 3.48Å; E294-R304 IonicContact OE2-CZ 3.54Å; E294-R304 IonicContact OE2-NH1 2.75Å; E294-R304 PolarHBondContact OE2-NH1 3.37Å; E294-R304 IonicContact OE2-NH2 3.04Å; L300-R304 HydrophobicContact CD1-CG 4.43Å; L300-R304 PolarHBondContact O-N 3.32Å; V301-R304 PolarHBondContact O-N 3.48Å; R304-T306 VanDerWaalsContact C-N 3.35Å; R304-H308 WeakPolarHBondContact O-CB 3.39Å; R304-H308 PolarHBondContact O-N 2.88Å
305	L	92.3	Very high	88.6	Confident	9 Å²	9	78.3 Å²	78.3	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-66.6	-39.5	176.5	-63.7	175.7	0	0	0	111.2	V266 V301 A302 K303 H308 V309 I317 I319 I341	V266-L305 HydrophobicContact CG1-CD2 4.44Å; V266-L305 HydrophobicContact CG2-CD2 3.72Å; V301-L305 HydrophobicContact CG1-CD1 3.86Å; V301-L305 HydrophobicContact CG1-CG 4.38Å; V301-L305 VanDerWaalsContact O-CG 3.28Å; V301-L305 WeakPolarHBondContact O-CG 3.34Å; V301-L305 PolarHBondContact O-N 3.15Å; A302-L305 PolarHBondContact O-N 3.36Å; K303-L305 VanDerWaalsContact C-N 3.34Å; K303-L305 PolarHBondContact O-N 2.87Å; L305-H308 PolarHBondContact O-N 3.01Å; L305-V309 WeakPolarHBondContact O-CB 2.95Å; L305-V309 VanDerWaalsContact O-CG2 3.26Å; L305-V309 WeakPolarHBondContact O-CG2 3.29Å; L305-V309 PolarHBondContact O-N 3.21Å; L305-I317 HydrophobicContact CB-CD1 4.49Å; L305-I317 HydrophobicContact CD2-CD1 3.73Å; L305-I317 HydrophobicContact CD2-CG2 4.48Å; L305-I319 HydrophobicContact CD1-CD1 4.27Å; L305-I341 HydrophobicContact CB-CD1 3.48Å; L305-I341 VanDerWaalsContact CB-CD1 3.48Å; L305-I341 HydrophobicContact CB-CG1 4.39Å; L305-I341 HydrophobicContact CD1-CD1 3.8Å; L305-I341 HydrophobicContact CG-CD1 4.29Å
306	T	93.2	Very high	89.7	Confident	38 Å²	38	75.1 Å²	75.1	23%	0.233	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-50.3	175.6	-57.1	0	0	0	0	111.5	A302 K303 R304 H308 V309 Q310 I341	A302-T306 WeakPolarHBondContact O-CB 3.36Å; A302-T306 PolarHBondContact O-N 3.25Å; A302-T306 PolarHBondContact O-OG1 3.06Å; K303-T306 WeakPolarHBondContact O-CB 3.35Å; K303-T306 PolarHBondContact O-N 3.06Å; K303-T306 VanDerWaalsContact O-N 3.16Å; R304-T306 VanDerWaalsContact C-N 3.35Å; T306-H308 VanDerWaalsContact C-N 3.28Å; T306-H308 PolarHBondContact O-N 2.75Å; T306-V309 PolarHBondContact O-N 3.09Å; T306-V309 VanDerWaalsContact O-N 3.17Å; T306-Q310 HydrophobicContact CG2-CG 4.36Å; T306-Q310 WeakPolarHBondContact O-CB 3.42Å; T306-Q310 VanDerWaalsContact O-CG 3.31Å; T306-Q310 WeakPolarHBondContact O-CG 3.32Å; T306-Q310 PolarHBondContact O-N 3.5Å; T306-I341 HydrophobicContact CG2-CG2 4.49Å
307	E	93.4	Very high	90.7	Very high	94 Å²	94	66.4 Å²	66.4	44%	0.439	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-37.7	177.5	-71.5	170.8	177.8	0	0	112.2	K303	K303-E307 WeakPolarHBondContact CE-OE1 3.44Å; K303-E307 WeakPolarHBondContact CG-OE1 3.49Å; K303-E307 WeakPolarHBondContact O-CG 3.12Å; K303-E307 PolarHBondContact O-N 2.89Å
308	H	93.9	Very high	91.3	Very high	9 Å²	9	63.1 Å²	63.1	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-42.5	176.1	-175.1	109	0	0	0	112.2	P286 R304 L305 T306 D311 K314 L315 I317	P286-H308 PolarHBondContact O-CE1 3.13Å; R304-H308 WeakPolarHBondContact O-CB 3.39Å; R304-H308 PolarHBondContact O-N 2.88Å; L305-H308 PolarHBondContact O-N 3.01Å; T306-H308 VanDerWaalsContact C-N 3.28Å; T306-H308 PolarHBondContact O-N 2.75Å; H308-D311 PolarHBondContact O-N 2.76Å; H308-K314 HydrophobicContact CB-CD 4.41Å; H308-L315 PolarHBondContact NE2-O 2.8Å; H308-I317 HydrophobicContact CB-CD1 3.98Å; H308-I317 VanDerWaalsContact CD2-CD1 3.49Å; H308-I317 WeakPolarHBondContact CD2-CD1 3.26Å; H308-I317 WeakPolarHBondContact CD2-CG1 3.48Å
309	V	93.8	Very high	92	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	27%	0.269	C	S	.	.	H	α-helix	trans	-77	-27.6	-176	173.4	0	0	0	0	113.2	G241 I243 L305 T306 D311 K312 I317 A343	G241-V309 VanDerWaalsContact CA-O 3.32Å; G241-V309 WeakPolarHBondContact CA-O 3.37Å; G241-V309 VanDerWaalsContact O-CG1 3.31Å; G241-V309 WeakPolarHBondContact O-CG1 3.46Å; I243-V309 HydrophobicContact CD1-CG2 4.31Å; I243-V309 HydrophobicContact CG1-CG2 3.94Å; L305-V309 WeakPolarHBondContact O-CB 2.95Å; L305-V309 VanDerWaalsContact O-CG2 3.26Å; L305-V309 WeakPolarHBondContact O-CG2 3.29Å; L305-V309 PolarHBondContact O-N 3.21Å; T306-V309 PolarHBondContact O-N 3.09Å; T306-V309 VanDerWaalsContact O-N 3.17Å; V309-D311 VanDerWaalsContact C-N 3.3Å; V309-K312 PolarHBondContact O-NZ 3.2Å; V309-I317 HydrophobicContact CG2-CD1 3.72Å; V309-I317 HydrophobicContact CG2-CG1 4.37Å; V309-A343 HydrophobicContact CG1-CB 3.53Å
310	Q	93.6	Very high	92.5	Very high	139 Å²	139	48.4 Å²	48.4	65%	0.65	24%	0.24	S	C	*	.	H	α-helix	trans	-66.9	-32.6	173	-75.4	175.9	-11	0	0	112	T306 K312	T306-Q310 HydrophobicContact CG2-CG 4.36Å; T306-Q310 WeakPolarHBondContact O-CB 3.42Å; T306-Q310 VanDerWaalsContact O-CG 3.31Å; T306-Q310 WeakPolarHBondContact O-CG 3.32Å; T306-Q310 PolarHBondContact O-N 3.5Å; Q310-K312 PolarHBondContact O-N 2.88Å; Q310-K312 VanDerWaalsContact O-N 3.15Å
311	D	92.2	Very high	92.9	Very high	60 Å²	60	46.4 Å²	46.4	32%	0.321	23%	0.23	S	C	.	.			trans	-77.8	97.6	173	-174.8	-10.4	0	0	0	111.4	H308 V309 S313 K314	H308-D311 PolarHBondContact O-N 2.76Å; V309-D311 VanDerWaalsContact C-N 3.3Å; D311-S313 VanDerWaalsContact CG-OG 3.31Å; D311-S313 PolarHBondContact O-N 3.39Å; D311-S313 VanDerWaalsContact O-N 3.13Å; D311-S313 VanDerWaalsContact OD1-CB 3.3Å; D311-S313 WeakPolarHBondContact OD1-CB 3.44Å; D311-S313 PolarHBondContact OD1-N 2.61Å; D311-S313 PolarHBondContact OD1-OG 2.94Å; D311-S313 PolarHBondContact OD2-OG 3.42Å; D311-K314 HydrophobicContact CB-CD 3.92Å; D311-K314 HydrophobicContact CB-CG 4.07Å; D311-K314 WeakPolarHBondContact O-CB 3.44Å; D311-K314 PolarHBondContact O-N 2.96Å; D311-K314 WeakPolarHBondContact OD2-CE 3.35Å; D311-K314 IonicContact OD2-NZ 3.52Å
312	K	90.2	Very high	93.2	Very high	125 Å²	125	44.9 Å²	44.9	54%	0.543	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-6.8	-179	-55.3	-51.2	-175.6	-166.6	0	114.2	N240 G241 V309 Q310	N240-K312 VanDerWaalsContact CB-O 3.24Å; N240-K312 WeakPolarHBondContact CB-O 3.32Å; G241-K312 PolarHBondContact O-NZ 3.13Å; V309-K312 PolarHBondContact O-NZ 3.2Å; Q310-K312 PolarHBondContact O-N 2.88Å; Q310-K312 VanDerWaalsContact O-N 3.15Å
313	S	89	Confident	93.1	Very high	74 Å²	74	46.7 Å²	46.7	52%	0.517	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.7	169.8	76.3	0	0	0	0	112.3	N240 D311	N240-S313 PolarHBondContact ND2-O 3.31Å; D311-S313 VanDerWaalsContact CG-OG 3.31Å; D311-S313 PolarHBondContact O-N 3.39Å; D311-S313 VanDerWaalsContact O-N 3.13Å; D311-S313 VanDerWaalsContact OD1-CB 3.3Å; D311-S313 WeakPolarHBondContact OD1-CB 3.44Å; D311-S313 PolarHBondContact OD1-N 2.61Å; D311-S313 PolarHBondContact OD1-OG 2.94Å; D311-S313 PolarHBondContact OD2-OG 3.42Å
314	K	91.4	Very high	93.1	Very high	57 Å²	57	41.6 Å²	41.6	25%	0.248	22%	0.222	C	C	.	.	S	Bend	trans	-80.3	149.2	-177.3	-66	179.9	-175.5	156.9	0	112.4	N240 G241 P286 H308 D311	N240-K314 WeakPolarHBondContact CA-O 3.45Å; N240-K314 WeakPolarHBondContact CB-O 3.18Å; N240-K314 VanDerWaalsContact CG-O 3.28Å; G241-K314 PolarHBondContact N-O 3.21Å; P286-K314 HydrophobicContact CG-CG 4.35Å; H308-K314 HydrophobicContact CB-CD 4.41Å; D311-K314 HydrophobicContact CB-CD 3.92Å; D311-K314 HydrophobicContact CB-CG 4.07Å; D311-K314 WeakPolarHBondContact O-CB 3.44Å; D311-K314 PolarHBondContact O-N 2.96Å; D311-K314 WeakPolarHBondContact OD2-CE 3.35Å; D311-K314 IonicContact OD2-NZ 3.52Å
315	L	94.6	Very high	93.2	Very high	20 Å²	20	38 Å²	38	11%	0.105	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.3	151.5	178.4	-58.4	-176.4	0	0	0	112	Y262 A264 C285 H308 I317	Y262-L315 HydrophobicContact CD1-CD1 3.55Å; Y262-L315 HydrophobicContact CD1-CD2 3.32Å; Y262-L315 HydrophobicContact CD1-CG 4.08Å; Y262-L315 HydrophobicContact CD2-CD1 3.89Å; Y262-L315 HydrophobicContact CE1-CD1 3.38Å; Y262-L315 HydrophobicContact CE1-CD2 3.47Å; Y262-L315 VanDerWaalsContact CE1-CD2 3.47Å; Y262-L315 HydrophobicContact CE1-CG 4Å; Y262-L315 HydrophobicContact CE2-CD1 3.7Å; Y262-L315 HydrophobicContact CG-CD1 3.79Å; Y262-L315 HydrophobicContact CG-CD2 4.16Å; Y262-L315 VanDerWaalsContact CZ-CD1 3.44Å; A264-L315 HydrophobicContact CB-CB 4.12Å; C285-L315 WeakPolarHBondContact SG-CD1 3.46Å; H308-L315 PolarHBondContact NE2-O 2.8Å; L315-I317 PolarHBondContact O-N 3.39Å
316	P	96.2	Very high	93.3	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.019	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-55.5	138.8	170.2	21.6	-30.9	0	0	0	110.7	P238 R239 N240 G242 Y263 A264	P238-P316 HydrophobicContact CB-CB 3.8Å; P238-P316 HydrophobicContact CB-CG 3.98Å; R239-P316 WeakPolarHBondContact O-CB 3.49Å; N240-P316 WeakPolarHBondContact OD1-CD 3.14Å; G242-P316 VanDerWaalsContact O-CA 3.3Å; G242-P316 WeakPolarHBondContact O-CA 3.21Å; Y263-P316 WeakPolarHBondContact CA-O 3.24Å; Y263-P316 HydrophobicContact CD1-CB 4.33Å; Y263-P316 HydrophobicContact CD1-CG 3.86Å; Y263-P316 HydrophobicContact CE1-CG 4.21Å; A264-P316 PolarHBondContact N-O 3.49Å
317	I	96.3	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.3	176.9	-66.5	-178.8	0	0	0	109.2	G242 I243 C244 A264 V266 L305 H308 V309 L315 I319	G242-I317 PolarHBondContact O-N 3.24Å; G242-I317 VanDerWaalsContact O-N 3.08Å; I243-I317 CarbonylContact C-O 3.46Å; C244-I317 WeakPolarHBondContact CB-O 3.32Å; C244-I317 PolarHBondContact N-O 3.45Å; A264-I317 WeakPolarHBondContact O-CA 3.06Å; V266-I317 HydrophobicContact CG2-CG2 3.41Å; V266-I317 VanDerWaalsContact CG2-CG2 3.41Å; L305-I317 HydrophobicContact CB-CD1 4.49Å; L305-I317 HydrophobicContact CD2-CD1 3.73Å; L305-I317 HydrophobicContact CD2-CG2 4.48Å; H308-I317 HydrophobicContact CB-CD1 3.98Å; H308-I317 VanDerWaalsContact CD2-CD1 3.49Å; H308-I317 WeakPolarHBondContact CD2-CD1 3.26Å; H308-I317 WeakPolarHBondContact CD2-CG1 3.48Å; V309-I317 HydrophobicContact CG2-CD1 3.72Å; V309-I317 HydrophobicContact CG2-CG1 4.37Å; L315-I317 PolarHBondContact O-N 3.39Å; I317-I319 HydrophobicContact CG2-CD1 3.61Å; I317-I319 HydrophobicContact CG2-CG1 3.66Å
318	L	96.8	Very high	93.2	Very high	6 Å²	6	32 Å²	32	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120	169.8	177	61.5	0	0	0	110.6	C244 L257 Y263 A264 M265 F320	C244-L318 HydrophobicContact CB-CD1 4.01Å; L257-L318 HydrophobicContact CB-CD2 4.42Å; L257-L318 HydrophobicContact CD1-CD1 3.51Å; L257-L318 HydrophobicContact CD1-CD2 4.09Å; L257-L318 HydrophobicContact CD1-CG 4.47Å; Y263-L318 HydrophobicContact CD1-CB 4.42Å; Y263-L318 HydrophobicContact CG-CB 4.16Å; A264-L318 PolarHBondContact O-N 3.03Å; M265-L318 HydrophobicContact CE-CD2 4.26Å; M265-L318 HydrophobicContact SD-CB 4.16Å; M265-L318 HydrophobicContact SD-CD2 3.82Å; L318-F320 HydrophobicContact CD1-CE2 4.3Å; L318-F320 HydrophobicContact CD1-CZ 4.17Å; L318-F320 HydrophobicContact CD2-CE2 3.92Å; L318-F320 HydrophobicContact CD2-CZ 4.06Å; L318-F320 HydrophobicContact CG-CE2 3.94Å; L318-F320 HydrophobicContact CG-CZ 4.24Å
319	I	95.9	Very high	93.1	Very high	25 Å²	25	32.5 Å²	32.5	13%	0.128	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.5	177.3	-73.4	165.3	0	0	0	110.5	I243 C244 V245 A246 V266 L305 I317 P321	I243-I319 HydrophobicContact CG2-CB 4.36Å; I243-I319 HydrophobicContact CG2-CD1 3.96Å; I243-I319 HydrophobicContact CG2-CG1 4.49Å; C244-I319 PolarHBondContact O-N 3.17Å; V245-I319 WeakPolarHBondContact CA-O 3.48Å; A246-I319 PolarHBondContact N-O 3.01Å; V266-I319 HydrophobicContact CG2-CG1 4.47Å; L305-I319 HydrophobicContact CD1-CD1 4.27Å; I317-I319 HydrophobicContact CG2-CD1 3.61Å; I317-I319 HydrophobicContact CG2-CG1 3.66Å; I319-P321 HydrophobicContact CG2-CB 4.47Å; I319-P321 HydrophobicContact CG2-CG 3.95Å; I319-P321 WeakPolarHBondContact O-CD 3.17Å
320	F	96.3	Very high	93.1	Very high	33 Å²	33	32.2 Å²	32.2	15%	0.145	18%	0.181	C	C	.	.			trans	-113.3	89.3	172.2	-67.5	-75.8	0	0	0	108.7	A246 H248 D253 V254 L257 L318 E322 G323	A246-F320 HydrophobicContact CB-CD1 4.02Å; A246-F320 HydrophobicContact CB-CE1 3.74Å; A246-F320 WeakPolarHBondContact O-CD1 3.47Å; H248-F320 HydrophobicContact CB-CB 3.77Å; H248-F320 HydrophobicContact CB-CD1 3.63Å; H248-F320 HydrophobicContact CB-CG 3.92Å; H248-F320 AromaticContact CG-CD1 3.64Å; H248-F320 AromaticContact CG-CG 3.63Å; H248-F320 AromaticContact ND1-CD1 3.49Å; H248-F320 WeakPolarHBondContact ND1-CD1 3.22Å; H248-F320 AromaticContact ND1-CE1 3.77Å; H248-F320 AromaticContact ND1-CG 3.61Å; D253-F320 HydrophobicContact CB-CE1 3.71Å; D253-F320 HydrophobicContact CB-CZ 3.57Å; V254-F320 HydrophobicContact CG2-CE2 3.87Å; V254-F320 HydrophobicContact CG2-CZ 4.46Å; L257-F320 HydrophobicContact CD1-CE1 4.31Å; L257-F320 HydrophobicContact CD1-CZ 4.07Å; L318-F320 HydrophobicContact CD1-CE2 4.3Å; L318-F320 HydrophobicContact CD1-CZ 4.17Å; L318-F320 HydrophobicContact CD2-CE2 3.92Å; L318-F320 HydrophobicContact CD2-CZ 4.06Å; L318-F320 HydrophobicContact CG-CE2 3.94Å; L318-F320 HydrophobicContact CG-CZ 4.24Å; F320-E322 PolarHBondContact O-N 3.11Å; F320-G323 PolarHBondContact O-N 2.93Å
321	P	95.1	Very high	93.1	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.039	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.8	-165.8	-15.7	28.5	0	0	0	114.7	V245 I319 G323 F334 K335 F339	V245-P321 HydrophobicContact CB-CG 4.34Å; V245-P321 HydrophobicContact CG1-CG 3.51Å; V245-P321 HydrophobicContact CG2-CG 4.06Å; I319-P321 HydrophobicContact CG2-CB 4.47Å; I319-P321 HydrophobicContact CG2-CG 3.95Å; I319-P321 WeakPolarHBondContact O-CD 3.17Å; P321-G323 PolarHBondContact O-N 3.44Å; P321-F334 HydrophobicContact CB-CB 3.83Å; P321-F334 HydrophobicContact CB-CD1 4.06Å; P321-F334 HydrophobicContact CB-CD2 4.09Å; P321-F334 HydrophobicContact CB-CG 3.74Å; P321-F334 HydrophobicContact CG-CD1 4.49Å; P321-F334 HydrophobicContact CG-CD2 4Å; P321-F334 HydrophobicContact CG-CE2 4.2Å; P321-F334 HydrophobicContact CG-CG 4.14Å; P321-K335 WeakPolarHBondContact O-CB 3.35Å; P321-K335 WeakPolarHBondContact O-CG 3.26Å; P321-K335 PolarHBondContact O-N 2.86Å; P321-F339 HydrophobicContact CB-CE2 3.95Å; P321-F339 HydrophobicContact CB-CZ 4.45Å; P321-F339 HydrophobicContact CG-CE2 3.99Å; P321-F339 HydrophobicContact CG-CZ 4.06Å
322	E	92.6	Very high	93.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.5	172.3	-59.7	-170.1	-124.6	0	0	112.2	N247 H248 F320 T324 I326 V331 M332 F334	N247-E322 WeakPolarHBondContact CA-OE1 3.36Å; N247-E322 WeakPolarHBondContact CB-OE1 3.36Å; H248-E322 PolarHBondContact N-OE1 2.78Å; F320-E322 PolarHBondContact O-N 3.11Å; E322-T324 PolarHBondContact O-N 3.45Å; E322-I326 WeakPolarHBondContact OE2-CD1 3.43Å; E322-I326 VanDerWaalsContact OE2-CG1 3.23Å; E322-I326 WeakPolarHBondContact OE2-CG1 3.49Å; E322-V331 HydrophobicContact CG-CG1 4.4Å; E322-M332 PolarHBondContact OE2-N 2.9Å; E322-M332 VanDerWaalsContact OE2-N 3.15Å; E322-F334 HydrophobicContact CG-CD1 3.82Å; E322-F334 HydrophobicContact CG-CE1 3.58Å
323	G	87.4	Confident	93.4	Very high	65 Å²	65	19.4 Å²	19.4	67%	0.67	12%	0.122	S	C	*	.	S	Bend	trans	70.5	4.1	-179.9	0	0	0	0	0	114.6	F320 P321	F320-G323 PolarHBondContact O-N 2.93Å; P321-G323 PolarHBondContact O-N 3.44Å
324	T	90.3	Very high	93.8	Very high	21 Å²	21	16.2 Å²	16.2	13%	0.129	10%	0.099	C	C	.	.	S	Bend	trans	-154.5	159.6	176.2	-170.6	0	0	0	0	109.8	F135 E322 I326	F135-T324 HydrophobicContact CE1-CG2 4.41Å; E322-T324 PolarHBondContact O-N 3.45Å; T324-I326 HydrophobicContact CG2-CG2 4.01Å
325	C	93.8	Very high	93.8	Very high	7 Å²	7	17.6 Å²	17.6	5%	0.047	11%	0.105	C	C	.	.			trans	-81.5	135.6	167.7	-56.1	0	0	0	0	110.1	H248 T249 F360 K426	H248-C325 PolarHBondContact NE2-SG 3.22Å; H248-C325 WeakPolarHBondContact O-CA 3.32Å; T249-C325 WeakPolarHBondContact O-CB 3.34Å; C325-F360 HydrophobicContact CB-CE2 4.36Å; C325-F360 WeakPolarHBondContact O-CE2 2.98Å; C325-K426 PolarHBondContact O-NZ 3.33Å
326	I	92.8	Very high	93.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	12%	0.12	C	C	.	.			trans	-123.6	163.7	173.4	61.5	162.2	0	0	0	111.7	F135 H248 T249 E322 T324 S330 M332 F360	F135-I326 HydrophobicContact CD1-CG2 4.1Å; F135-I326 HydrophobicContact CE1-CG2 3.72Å; H248-I326 WeakPolarHBondContact O-CG1 3.39Å; H248-I326 PolarHBondContact O-N 3.12Å; T249-I326 VanDerWaalsContact CA-O 3.27Å; T249-I326 WeakPolarHBondContact CA-O 3.33Å; E322-I326 WeakPolarHBondContact OE2-CD1 3.43Å; E322-I326 VanDerWaalsContact OE2-CG1 3.23Å; E322-I326 WeakPolarHBondContact OE2-CG1 3.49Å; T324-I326 HydrophobicContact CG2-CG2 4.01Å; I326-S330 WeakPolarHBondContact CD1-O 3.44Å; I326-M332 HydrophobicContact CD1-CG 4.09Å; I326-M332 HydrophobicContact CG2-CE 4.43Å; I326-M332 HydrophobicContact CG2-CG 3.69Å; I326-F360 VanDerWaalsContact O-CD2 3.28Å; I326-F360 WeakPolarHBondContact O-CD2 3.49Å
327	N	89.8	Confident	93.2	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.032	14%	0.136	C	C	.	.			trans	-67	148.7	170.9	77.8	11.2	0	0	0	110	K133 R134 S136 T329 F360	K133-N327 PolarHBondContact O-ND2 2.96Å; R134-N327 WeakPolarHBondContact CA-ND2 3.42Å; R134-N327 WeakPolarHBondContact CA-OD1 3.37Å; R134-N327 WeakPolarHBondContact O-CB 3.31Å; R134-N327 VanDerWaalsContact O-CG 3.23Å; R134-N327 PolarHBondContact O-N 2.64Å; R134-N327 PolarHBondContact O-OD1 3.06Å; S136-N327 WeakPolarHBondContact O-CB 3.31Å; S136-N327 PolarHBondContact O-ND2 3.26Å; N327-T329 PolarHBondContact O-N 3.1Å; N327-T329 PolarHBondContact OD1-OG1 2.74Å; N327-F360 HydrophobicContact CB-CB 4.42Å; N327-F360 HydrophobicContact CB-CD1 4.3Å; N327-F360 HydrophobicContact CB-CG 4.16Å
328	N	94.5	Very high	92.8	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	36.2	-167.8	-165.8	-116.9	0	0	0	113	T249 I350 K351 Y352 L416	T249-N328 HydrophobicContact CG2-CB 3.9Å; T249-N328 WeakPolarHBondContact OG1-CB 3.29Å; T249-N328 PolarHBondContact OG1-ND2 3.1Å; N328-I350 PolarHBondContact ND2-O 3.49Å; N328-K351 PolarHBondContact O-NZ 3.36Å; N328-K351 WeakPolarHBondContact OD1-CA 3.3Å; N328-K351 WeakPolarHBondContact OD1-CD 3.42Å; N328-Y352 HydrophobicContact CB-CD2 4.32Å; N328-Y352 PolarHBondContact OD1-N 3.24Å; N328-L416 WeakPolarHBondContact O-CD2 3.47Å
329	T	92.3	Very high	92.7	Very high	20 Å²	20	23.3 Å²	23.3	12%	0.123	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-17.4	-178.7	70.5	0	0	0	0	112.9	R134 E138 N327 V417	R134-T329 WeakPolarHBondContact CD-OG1 3.48Å; R134-T329 PolarHBondContact NH1-OG1 3.27Å; E138-T329 HydrophobicContact CB-CG2 4.08Å; E138-T329 HydrophobicContact CG-CG2 3.71Å; N327-T329 PolarHBondContact O-N 3.1Å; N327-T329 PolarHBondContact OD1-OG1 2.74Å; T329-V417 PolarHBondContact O-N 3.35Å
330	S	93.6	Very high	92.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	175.3	-179.4	59.5	0	0	0	0	111	R134 I326 V417	R134-S330 WeakPolarHBondContact CD-OG 3.24Å; R134-S330 WeakPolarHBondContact CG-OG 3.28Å; I326-S330 WeakPolarHBondContact CD1-O 3.44Å; S330-V417 CarbonylContact C-O 3.38Å; S330-V417 WeakPolarHBondContact CA-O 3.49Å; S330-V417 WeakPolarHBondContact CB-O 3.35Å
331	V	95.2	Very high	92.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.9	163.2	-172.8	0	0	0	0	107.5	N247 E322 F334 K407 I410 A411 L416 V417 L419	N247-V331 HydrophobicContact CB-CG1 4.26Å; N247-V331 HydrophobicContact CB-CG2 3.97Å; E322-V331 HydrophobicContact CG-CG1 4.4Å; V331-F334 HydrophobicContact CG1-CD1 4.17Å; V331-F334 HydrophobicContact CG1-CE1 3.37Å; V331-F334 HydrophobicContact CG1-CZ 3.91Å; V331-K407 HydrophobicContact CB-CG 4.25Å; V331-K407 HydrophobicContact CG1-CD 4.26Å; V331-K407 HydrophobicContact CG1-CG 3.7Å; V331-I410 HydrophobicContact CG2-CG2 4.37Å; V331-A411 HydrophobicContact CB-CB 4.39Å; V331-A411 HydrophobicContact CG2-CB 3.97Å; V331-L416 HydrophobicContact CG2-CB 3.86Å; V331-L416 HydrophobicContact CG2-CD1 3.4Å; V331-L416 HydrophobicContact CG2-CG 4.26Å; V331-V417 PolarHBondContact N-O 2.85Å; V331-L419 PolarHBondContact O-N 2.9Å
332	M	93.8	Very high	91.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-79.6	171.9	176.6	-69.6	-65.6	170.1	0	0	111.8	R134 F135 E322 I326 F334 K407 L419 W421	R134-M332 HydrophobicContact CB-CE 3.34Å; R134-M332 HydrophobicContact CG-CE 3.61Å; F135-M332 HydrophobicContact CE1-CE 4.33Å; F135-M332 HydrophobicContact CZ-CE 4.09Å; E322-M332 PolarHBondContact OE2-N 2.9Å; E322-M332 VanDerWaalsContact OE2-N 3.15Å; I326-M332 HydrophobicContact CD1-CG 4.09Å; I326-M332 HydrophobicContact CG2-CE 4.43Å; I326-M332 HydrophobicContact CG2-CG 3.69Å; M332-F334 WeakPolarHBondContact O-CD1 3.34Å; M332-F334 PolarHBondContact O-N 2.88Å; M332-K407 WeakPolarHBondContact O-CD 3.48Å; M332-L419 HydrophobicContact CE-CD1 3.68Å; M332-L419 HydrophobicContact SD-CB 4.16Å; M332-L419 HydrophobicContact SD-CD1 3.89Å; M332-W421 HydrophobicContact SD-CB 4.23Å
333	M	94.4	Very high	91.8	Very high	56 Å²	56	28.9 Å²	28.9	28%	0.276	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-52.2	127.7	174.1	-175.7	-174	70.6	0	0	111.4	K335 L419 W421 D422	M333-K335 HydrophobicContact CE-CD 4.49Å; M333-L419 PolarHBondContact N-O 3.46Å; M333-W421 WeakPolarHBondContact CB-O 3.41Å; M333-W421 PolarHBondContact N-O 3.38Å; M333-D422 HydrophobicContact CE-CB 3.8Å; M333-D422 WeakPolarHBondContact CE-OD2 3.27Å
334	F	96.6	Very high	92.3	Very high	7 Å²	7	28 Å²	28	3%	0.031	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-78.1	132.4	172.3	-79.1	6.3	0	0	0	110.7	V245 P321 E322 V331 M332 K336 F339 A403 V406 K407 I410	V245-F334 HydrophobicContact CG1-CD2 4.15Å; V245-F334 HydrophobicContact CG1-CE2 3.47Å; V245-F334 VanDerWaalsContact CG1-CE2 3.47Å; V245-F334 HydrophobicContact CG1-CZ 4.1Å; P321-F334 HydrophobicContact CB-CB 3.83Å; P321-F334 HydrophobicContact CB-CD1 4.06Å; P321-F334 HydrophobicContact CB-CD2 4.09Å; P321-F334 HydrophobicContact CB-CG 3.74Å; P321-F334 HydrophobicContact CG-CD1 4.49Å; P321-F334 HydrophobicContact CG-CD2 4Å; P321-F334 HydrophobicContact CG-CE2 4.2Å; P321-F334 HydrophobicContact CG-CG 4.14Å; E322-F334 HydrophobicContact CG-CD1 3.82Å; E322-F334 HydrophobicContact CG-CE1 3.58Å; V331-F334 HydrophobicContact CG1-CD1 4.17Å; V331-F334 HydrophobicContact CG1-CE1 3.37Å; V331-F334 HydrophobicContact CG1-CZ 3.91Å; M332-F334 WeakPolarHBondContact O-CD1 3.34Å; M332-F334 PolarHBondContact O-N 2.88Å; F334-K336 PolarHBondContact O-N 3.34Å; F334-F339 HydrophobicContact CB-CE2 4.08Å; F334-F339 HydrophobicContact CB-CZ 4.45Å; F334-F339 HydrophobicContact CD2-CE2 4.15Å; F334-F339 AromaticContact CD2-CZ 3.7Å; F334-F339 HydrophobicContact CD2-CZ 3.7Å; F334-F339 HydrophobicContact CE2-CZ 4.44Å; F334-A403 HydrophobicContact CB-CB 4.13Å; F334-V406 HydrophobicContact CE2-CG1 4.24Å; F334-K407 HydrophobicContact CD1-CB 4.35Å; F334-K407 HydrophobicContact CD1-CD 4.36Å; F334-K407 HydrophobicContact CD1-CG 4.19Å; F334-K407 HydrophobicContact CD2-CB 3.73Å; F334-K407 HydrophobicContact CD2-CG 4.43Å; F334-K407 HydrophobicContact CE1-CG 4.25Å; F334-K407 HydrophobicContact CE2-CB 3.91Å; F334-K407 HydrophobicContact CE2-CG 4.48Å; F334-K407 HydrophobicContact CG-CB 3.98Å; F334-K407 HydrophobicContact CG-CG 4.3Å; F334-K407 HydrophobicContact CZ-CB 4.31Å; F334-K407 HydrophobicContact CZ-CG 4.4Å; F334-I410 HydrophobicContact CE2-CD1 3.9Å; F334-I410 HydrophobicContact CZ-CD1 3.92Å
335	K	91.4	Very high	92.7	Very high	86 Å²	86	27.1 Å²	27.1	37%	0.374	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-69.6	128.7	173.9	-57.5	-67.9	174.3	165.7	0	109.3	P321 M333 G337 F339 D422	P321-K335 WeakPolarHBondContact O-CB 3.35Å; P321-K335 WeakPolarHBondContact O-CG 3.26Å; P321-K335 PolarHBondContact O-N 2.86Å; M333-K335 HydrophobicContact CE-CD 4.49Å; K335-G337 PolarHBondContact O-N 3.25Å; K335-G337 VanDerWaalsContact O-N 3.15Å; K335-F339 WeakPolarHBondContact O-CD2 3.36Å; K335-D422 IonicContact NZ-OD1 2.73Å; K335-D422 PolarHBondContact NZ-OD1 3.46Å; K335-D422 IonicContact NZ-OD2 3.66Å; K335-D422 PolarHBondContact NZ-OD2 3.3Å
336	K	90.1	Very high	92.9	Very high	100 Å²	100	27.9 Å²	27.9	44%	0.435	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.1	-19.8	-175.5	68.6	171.9	-174.3	139.8	0	116	F334 S338 F339 E340 A399 V400	F334-K336 PolarHBondContact O-N 3.34Å; K336-S338 VanDerWaalsContact C-N 3.32Å; K336-S338 PolarHBondContact O-N 2.98Å; K336-F339 WeakPolarHBondContact O-CA 3.1Å; K336-F339 WeakPolarHBondContact O-CB 3.49Å; K336-F339 PolarHBondContact O-N 3.19Å; K336-E340 WeakPolarHBondContact CD-OE1 3.48Å; K336-E340 WeakPolarHBondContact CE-OE1 3.26Å; K336-E340 IonicContact NZ-OE1 2.71Å; K336-E340 PolarHBondContact NZ-OE1 2.84Å; K336-E340 PolarHBondContact O-N 3.33Å; K336-A399 HydrophobicContact CB-CB 4.42Å; K336-V400 HydrophobicContact CB-CG2 4.01Å; K336-V400 HydrophobicContact CD-CG2 3.73Å; K336-V400 HydrophobicContact CG-CG2 4.46Å
337	G	88.6	Confident	93.2	Very high	33 Å²	33	27.9 Å²	27.9	34%	0.34	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.9	-36.9	-169.1	0	0	0	0	0	114.8	K335 F339	K335-G337 PolarHBondContact O-N 3.25Å; K335-G337 VanDerWaalsContact O-N 3.15Å; G337-F339 PolarHBondContact O-N 2.96Å
338	S	88.5	Confident	93.6	Very high	12 Å²	12	27.6 Å²	27.6	8%	0.084	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-72.5	-17	175.7	50.7	0	0	0	0	113.9	K336	K336-S338 VanDerWaalsContact C-N 3.32Å; K336-S338 PolarHBondContact O-N 2.98Å
339	F	94.8	Very high	93.8	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.013	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-96.6	-5.9	-176.7	-58.5	-88.9	0	0	0	112.4	V245 P321 F334 K335 K336 G337 V345 A399 F402 A403 V406	V245-F339 HydrophobicContact CG1-CZ 4.16Å; V245-F339 HydrophobicContact CG2-CE1 4.46Å; V245-F339 HydrophobicContact CG2-CZ 4.19Å; P321-F339 HydrophobicContact CB-CE2 3.95Å; P321-F339 HydrophobicContact CB-CZ 4.45Å; P321-F339 HydrophobicContact CG-CE2 3.99Å; P321-F339 HydrophobicContact CG-CZ 4.06Å; F334-F339 HydrophobicContact CB-CE2 4.08Å; F334-F339 HydrophobicContact CB-CZ 4.45Å; F334-F339 HydrophobicContact CD2-CE2 4.15Å; F334-F339 AromaticContact CD2-CZ 3.7Å; F334-F339 HydrophobicContact CD2-CZ 3.7Å; F334-F339 HydrophobicContact CE2-CZ 4.44Å; K335-F339 WeakPolarHBondContact O-CD2 3.36Å; K336-F339 WeakPolarHBondContact O-CA 3.1Å; K336-F339 WeakPolarHBondContact O-CB 3.49Å; K336-F339 PolarHBondContact O-N 3.19Å; G337-F339 PolarHBondContact O-N 2.96Å; F339-V345 HydrophobicContact CD1-CG2 4.23Å; F339-V345 HydrophobicContact CE1-CG1 4.35Å; F339-V345 HydrophobicContact CE1-CG2 4.27Å; F339-A399 HydrophobicContact CB-CB 4.32Å; F339-A399 WeakPolarHBondContact CB-O 3.41Å; F339-F402 HydrophobicContact CB-CD1 3.95Å; F339-F402 AromaticContact CD1-CD1 3.67Å; F339-F402 HydrophobicContact CD1-CD1 3.67Å; F339-F402 AromaticContact CD1-CE1 3.87Å; F339-F402 HydrophobicContact CD1-CE1 3.87Å; F339-F402 HydrophobicContact CD1-CG 4.18Å; F339-F402 HydrophobicContact CG-CD1 4.3Å; F339-A403 HydrophobicContact CB-CB 4.38Å; F339-A403 HydrophobicContact CD1-CB 4.14Å; F339-A403 HydrophobicContact CD2-CB 3.47Å; F339-A403 VanDerWaalsContact CD2-CB 3.47Å; F339-A403 HydrophobicContact CE1-CB 4.31Å; F339-A403 HydrophobicContact CE2-CB 3.66Å; F339-A403 HydrophobicContact CG-CB 3.73Å; F339-A403 HydrophobicContact CZ-CB 4.09Å; F339-V406 HydrophobicContact CE1-CB 3.92Å; F339-V406 HydrophobicContact CE1-CG1 4.04Å; F339-V406 HydrophobicContact CE1-CG2 3.94Å; F339-V406 HydrophobicContact CZ-CB 4.49Å; F339-V406 HydrophobicContact CZ-CG1 4.38Å
340	E	92.1	Very high	94.1	Very high	88 Å²	88	26.3 Å²	26.3	41%	0.411	15%	0.153	S	C	.	.	S	Bend	trans	-83	-16.4	174.3	-69.7	174.9	161.8	0	0	112.7	K336 G342 A399	K336-E340 WeakPolarHBondContact CD-OE1 3.48Å; K336-E340 WeakPolarHBondContact CE-OE1 3.26Å; K336-E340 IonicContact NZ-OE1 2.71Å; K336-E340 PolarHBondContact NZ-OE1 2.84Å; K336-E340 PolarHBondContact O-N 3.33Å; E340-G342 VanDerWaalsContact C-N 3.27Å; E340-G342 PolarHBondContact O-N 3.1Å; E340-A399 HydrophobicContact CB-CB 4.48Å; E340-A399 HydrophobicContact CG-CB 3.48Å; E340-A399 VanDerWaalsContact CG-CB 3.48Å
341	I	88.5	Confident	94.3	Very high	21 Å²	21	28.7 Å²	28.7	11%	0.108	16%	0.163	C	C	.	.	S	Bend	trans	-72.9	-13.3	-171.2	-61.6	160	0	0	0	113.4	I243 L305 T306 A343	I243-I341 HydrophobicContact CD1-CB 4.42Å; I243-I341 HydrophobicContact CD1-CD1 3.88Å; L305-I341 HydrophobicContact CB-CD1 3.48Å; L305-I341 VanDerWaalsContact CB-CD1 3.48Å; L305-I341 HydrophobicContact CB-CG1 4.39Å; L305-I341 HydrophobicContact CD1-CD1 3.8Å; L305-I341 HydrophobicContact CG-CD1 4.29Å; T306-I341 HydrophobicContact CG2-CG2 4.49Å; I341-A343 HydrophobicContact CG2-CB 4.24Å; I341-A343 PolarHBondContact O-N 3.42Å
342	G	86.3	Confident	94.3	Very high	64 Å²	64	29.2 Å²	29.2	66%	0.66	17%	0.165	S	C	*	.			trans	69.7	19.6	-179	0	0	0	0	0	114.4	E340	E340-G342 VanDerWaalsContact C-N 3.27Å; E340-G342 PolarHBondContact O-N 3.1Å
343	A	93.4	Very high	94.2	Very high	10 Å²	10	31.6 Å²	31.6	8%	0.083	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-85.8	157	179.2	0	0	0	0	0	112.9	I243 V309 I341 V345	I243-A343 HydrophobicContact CD1-CB 3.75Å; I243-A343 HydrophobicContact CG1-CB 3.89Å; V309-A343 HydrophobicContact CG1-CB 3.53Å; I341-A343 HydrophobicContact CG2-CB 4.24Å; I341-A343 PolarHBondContact O-N 3.42Å; A343-V345 PolarHBondContact O-N 2.92Å
344	T	97	Very high	93.9	Very high	46 Å²	46	30.1 Å²	30.1	28%	0.282	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-64.5	122.5	162.6	-52.7	0	0	0	0	109.8	G242 I243 Y346 P390 T392	G242-T344 WeakPolarHBondContact CA-O 3.27Å; I243-T344 PolarHBondContact N-O 3.27Å; T344-Y346 HydrophobicContact CG2-CD2 4.35Å; T344-Y346 HydrophobicContact CG2-CE2 3.79Å; T344-P390 HydrophobicContact CG2-CB 3.67Å; T344-T392 HydrophobicContact CG2-CG2 4.25Å
345	V	98.3	Very high	93.4	Very high	2 Å²	2	33 Å²	33	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.6	174.1	174.6	0	0	0	0	108.8	I243 V245 F339 A343 P347 P390 M391 F402 V406	I243-V345 CarbonylContact O-C 3.6Å; I243-V345 WeakPolarHBondContact O-CA 3.28Å; V245-V345 HydrophobicContact CB-CG1 3.83Å; V245-V345 HydrophobicContact CG2-CG1 3.65Å; F339-V345 HydrophobicContact CD1-CG2 4.23Å; F339-V345 HydrophobicContact CE1-CG1 4.35Å; F339-V345 HydrophobicContact CE1-CG2 4.27Å; A343-V345 PolarHBondContact O-N 2.92Å; V345-P347 WeakPolarHBondContact O-CD 3.28Å; V345-P390 CarbonylContact O-C 3.47Å; V345-P390 WeakPolarHBondContact O-CA 3.43Å; V345-M391 PolarHBondContact N-O 3.33Å; V345-M391 PolarHBondContact O-N 2.9Å; V345-F402 HydrophobicContact CB-CE1 4.4Å; V345-F402 HydrophobicContact CB-CZ 3.9Å; V345-F402 HydrophobicContact CG2-CE1 3.68Å; V345-F402 HydrophobicContact CG2-CZ 3.69Å; V345-V406 HydrophobicContact CG1-CG1 3.99Å; V345-V406 HydrophobicContact CG1-CG2 4.2Å
346	Y	98.5	Very high	93.2	Very high	23 Å²	23	28.9 Å²	28.9	9%	0.09	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	99.1	173.7	-67	-92.9	0	0	0	107.9	P238 R239 I243 C244 V245 T344 P390	P238-Y346 HydrophobicContact CB-CD1 4.41Å; P238-Y346 HydrophobicContact CB-CD2 4.02Å; P238-Y346 HydrophobicContact CB-CG 3.86Å; P238-Y346 HydrophobicContact CG-CG 4.15Å; R239-Y346 WeakPolarHBondContact CB-OH 3.42Å; R239-Y346 HydrophobicContact CG-CE1 4.24Å; I243-Y346 PolarHBondContact O-N 3.04Å; C244-Y346 WeakPolarHBondContact CA-O 3.33Å; V245-Y346 PolarHBondContact N-O 3.4Å; T344-Y346 HydrophobicContact CG2-CD2 4.35Å; T344-Y346 HydrophobicContact CG2-CE2 3.79Å; Y346-P390 HydrophobicContact CD1-CB 3.88Å; Y346-P390 HydrophobicContact CE1-CB 3.7Å; Y346-P390 HydrophobicContact CE1-CG 4.28Å
347	P	98.6	Very high	93	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	140.7	-179	-6.6	22.5	0	0	0	110.5	V245 V345 L388 P389 M391 V406 I410	V245-P347 CarbonylContact O-C 3.58Å; V245-P347 WeakPolarHBondContact O-CA 3.34Å; V345-P347 WeakPolarHBondContact O-CD 3.28Å; P347-L388 HydrophobicContact CB-CB 4.01Å; P347-L388 HydrophobicContact CB-CD2 4.33Å; P347-L388 HydrophobicContact CG-CB 4.2Å; P347-L388 WeakPolarHBondContact O-CB 3.43Å; P347-L388 PolarHBondContact O-N 2.97Å; P347-P389 WeakPolarHBondContact CD-O 3.33Å; P347-M391 HydrophobicContact CG-CG 3.93Å; P347-M391 HydrophobicContact CG-SD 3.52Å; P347-M391 VanDerWaalsContact CG-SD 3.52Å; P347-V406 HydrophobicContact CB-CG1 4.01Å; P347-V406 HydrophobicContact CG-CG1 4.13Å; P347-I410 HydrophobicContact CB-CD1 3.91Å; P347-I410 HydrophobicContact CB-CG1 3.73Å
348	V	98.8	Very high	92.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.3	178.6	-178.3	0	0	0	0	109.4	V245 A246 L257 I350 V385 W386 Y387	V245-V348 PolarHBondContact O-N 3.16Å; A246-V348 VanDerWaalsContact CA-O 3.26Å; A246-V348 WeakPolarHBondContact CA-O 3.43Å; A246-V348 HydrophobicContact CB-CB 4.09Å; L257-V348 HydrophobicContact CD2-CG1 3.75Å; V348-I350 HydrophobicContact CG1-CG1 4.49Å; V348-V385 HydrophobicContact CG1-CG1 3.61Å; V348-W386 VanDerWaalsContact CA-O 3.29Å; V348-W386 WeakPolarHBondContact CA-O 3.38Å; V348-W386 WeakPolarHBondContact CG1-O 3.14Å; V348-Y387 HydrophobicContact CG1-CD1 4.3Å; V348-Y387 HydrophobicContact CG1-CE1 4.45Å; V348-Y387 HydrophobicContact CG2-CD1 3.71Å; V348-Y387 HydrophobicContact CG2-CE1 4.21Å
349	A	98.7	Very high	93	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	172.9	0	0	0	0	0	110.3	N247 V385 W386 L388 I410 Q413	N247-A349 WeakPolarHBondContact OD1-CA 3.42Å; A349-V385 WeakPolarHBondContact O-CA 3.26Å; A349-W386 HydrophobicContact CB-CB 4.46Å; A349-W386 HydrophobicContact CB-CE3 4.26Å; A349-W386 PolarHBondContact N-O 3.46Å; A349-W386 PolarHBondContact O-N 3.23Å; A349-L388 HydrophobicContact CB-CD1 4.12Å; A349-I410 HydrophobicContact CB-CG2 4.09Å; A349-Q413 HydrophobicContact CB-CB 4.09Å; A349-Q413 HydrophobicContact CB-CG 4.14Å
350	I	98.4	Very high	92.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.3	173.2	-50.4	178.7	0	0	0	108.5	A246 N247 D253 L257 N328 V348 Y352 C383 S384 V385	A246-I350 HydrophobicContact CB-CD1 4.34Å; N247-I350 PolarHBondContact ND2-O 2.92Å; N247-I350 PolarHBondContact OD1-N 3.01Å; D253-I350 HydrophobicContact CB-CD1 4.07Å; L257-I350 HydrophobicContact CD1-CD1 4.06Å; L257-I350 HydrophobicContact CD2-CD1 3.96Å; L257-I350 HydrophobicContact CD2-CG1 4.31Å; L257-I350 HydrophobicContact CG-CD1 3.96Å; N328-I350 PolarHBondContact ND2-O 3.49Å; V348-I350 HydrophobicContact CG1-CG1 4.49Å; I350-Y352 HydrophobicContact CG2-CD2 4.13Å; I350-Y352 HydrophobicContact CG2-CE2 3.65Å; I350-C383 HydrophobicContact CG2-CB 4.48Å; I350-S384 WeakPolarHBondContact CA-O 3.44Å; I350-V385 HydrophobicContact CG1-CG2 4.43Å; I350-V385 HydrophobicContact CG2-CG2 4.46Å
351	K	97.4	Very high	93	Very high	51 Å²	51	21.5 Å²	21.5	22%	0.222	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119	172	-173.4	71.8	-173.6	179.8	0	109.8	N328 C383 S384 W386 G414 L416	N328-K351 PolarHBondContact O-NZ 3.36Å; N328-K351 WeakPolarHBondContact OD1-CA 3.3Å; N328-K351 WeakPolarHBondContact OD1-CD 3.42Å; K351-C383 CarbonylContact O-C 3.53Å; K351-C383 WeakPolarHBondContact O-CA 3.43Å; K351-C383 WeakPolarHBondContact O-CB 3.44Å; K351-S384 PolarHBondContact N-O 3.14Å; K351-S384 PolarHBondContact O-N 3.19Å; K351-W386 HydrophobicContact CB-CH2 3.96Å; K351-W386 HydrophobicContact CB-CZ3 3.58Å; K351-G414 WeakPolarHBondContact CD-O 3.46Å; K351-L416 HydrophobicContact CD-CD2 3.86Å
352	Y	95.8	Very high	93	Very high	10 Å²	10	22 Å²	22	4%	0.039	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.4	170.9	-70.7	-86.7	0	0	0	110.2	T249 D253 I256 N328 I350 P354 A359 I381 V382 C383	T249-Y352 HydrophobicContact CG2-CD2 4.01Å; T249-Y352 HydrophobicContact CG2-CE2 4.06Å; D253-Y352 WeakPolarHBondContact OD1-CE2 3.36Å; D253-Y352 PolarHBondContact OD1-OH 3.02Å; I256-Y352 HydrophobicContact CD1-CE1 3.74Å; I256-Y352 WeakPolarHBondContact CD1-OH 3.39Å; N328-Y352 HydrophobicContact CB-CD2 4.32Å; N328-Y352 PolarHBondContact OD1-N 3.24Å; I350-Y352 HydrophobicContact CG2-CD2 4.13Å; I350-Y352 HydrophobicContact CG2-CE2 3.65Å; Y352-P354 VanDerWaalsContact O-CD 3.29Å; Y352-P354 WeakPolarHBondContact O-CD 3.33Å; Y352-A359 HydrophobicContact CD1-CB 3.46Å; Y352-A359 VanDerWaalsContact CD1-CB 3.46Å; Y352-A359 HydrophobicContact CD2-CB 4.06Å; Y352-A359 HydrophobicContact CE1-CB 3.64Å; Y352-A359 HydrophobicContact CE2-CB 4.21Å; Y352-A359 HydrophobicContact CG-CB 3.67Å; Y352-I381 HydrophobicContact CD1-CG2 3.86Å; Y352-I381 HydrophobicContact CE1-CG2 3.56Å; Y352-V382 WeakPolarHBondContact CA-O 3.34Å; Y352-C383 HydrophobicContact CD1-CB 3.64Å; Y352-C383 HydrophobicContact CE1-CB 3.92Å; Y352-C383 HydrophobicContact CG-CB 4.07Å
353	D	92.1	Very high	93.1	Very high	50 Å²	50	20.4 Å²	20.4	27%	0.267	11%	0.107	S	C	.	.			trans	-91.3	105.6	168.6	-174.4	-20.4	0	0	0	108.7	Q355 F356 V382	D353-Q355 PolarHBondContact O-N 3.3Å; D353-Q355 VanDerWaalsContact O-N 3.15Å; D353-Q355 WeakPolarHBondContact OD1-CB 3.35Å; D353-Q355 VanDerWaalsContact OD1-CG 3.24Å; D353-Q355 WeakPolarHBondContact OD1-CG 3.35Å; D353-Q355 PolarHBondContact OD1-N 3.35Å; D353-F356 HydrophobicContact CB-CD2 4.1Å; D353-F356 HydrophobicContact CB-CE2 4.47Å; D353-F356 PolarHBondContact O-N 3.37Å; D353-F356 WeakPolarHBondContact OD2-CE2 3.44Å; D353-V382 HydrophobicContact CB-CB 4.07Å; D353-V382 HydrophobicContact CB-CG1 4.15Å; D353-V382 PolarHBondContact N-O 2.75Å
354	P	88.3	Confident	92.7	Very high	25 Å²	25	23.7 Å²	23.7	16%	0.162	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.2	-175	30.3	-36.7	0	0	0	112.1	L140 Y352 F356 G357	L140-P354 HydrophobicContact CD1-CB 4.45Å; L140-P354 VanDerWaalsContact CD1-O 3.23Å; L140-P354 WeakPolarHBondContact CD1-O 3.38Å; L140-P354 HydrophobicContact CD2-CB 3.54Å; L140-P354 HydrophobicContact CD2-CG 3.53Å; L140-P354 HydrophobicContact CG-CB 4.26Å; Y352-P354 VanDerWaalsContact O-CD 3.29Å; Y352-P354 WeakPolarHBondContact O-CD 3.33Å; P354-F356 PolarHBondContact O-N 3.39Å; P354-F356 VanDerWaalsContact O-N 3.15Å; P354-G357 PolarHBondContact O-N 2.9Å
355	Q	86.5	Confident	92.2	Very high	67 Å²	67	28.1 Å²	28.1	31%	0.313	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29	179.2	-62.5	-176.5	-24.1	0	0	112.8	L51 F54 N144 D353	L51-Q355 VanDerWaalsContact CD2-OE1 3.31Å; F54-Q355 WeakPolarHBondContact CE2-O 3.31Å; N144-Q355 WeakPolarHBondContact CB-O 3.33Å; N144-Q355 PolarHBondContact ND2-O 3.44Å; D353-Q355 PolarHBondContact O-N 3.3Å; D353-Q355 VanDerWaalsContact O-N 3.15Å; D353-Q355 WeakPolarHBondContact OD1-CB 3.35Å; D353-Q355 VanDerWaalsContact OD1-CG 3.24Å; D353-Q355 WeakPolarHBondContact OD1-CG 3.35Å; D353-Q355 PolarHBondContact OD1-N 3.35Å
356	F	87.2	Confident	91.7	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-20.6	-177.5	-64.7	-90.2	0	0	0	114	M47 L50 L51 F54 D353 P354 W379 A380 V382	M47-F356 HydrophobicContact CG-CE1 3.78Å; M47-F356 HydrophobicContact CG-CE2 4.42Å; M47-F356 HydrophobicContact CG-CZ 3.47Å; M47-F356 VanDerWaalsContact CG-CZ 3.47Å; M47-F356 HydrophobicContact SD-CZ 4.47Å; L50-F356 HydrophobicContact CB-CE1 4.03Å; L50-F356 HydrophobicContact CD1-CD1 3.97Å; L50-F356 HydrophobicContact CD1-CE1 4.02Å; L51-F356 HydrophobicContact CD1-CZ 4.14Å; L51-F356 HydrophobicContact CD2-CE1 4.48Å; L51-F356 HydrophobicContact CD2-CE2 3.93Å; L51-F356 HydrophobicContact CD2-CZ 3.58Å; L51-F356 HydrophobicContact CG-CE1 4.39Å; L51-F356 HydrophobicContact CG-CE2 4.44Å; L51-F356 HydrophobicContact CG-CZ 3.65Å; F54-F356 HydrophobicContact CE2-CD1 4.12Å; F54-F356 HydrophobicContact CE2-CE1 4.31Å; D353-F356 HydrophobicContact CB-CD2 4.1Å; D353-F356 HydrophobicContact CB-CE2 4.47Å; D353-F356 PolarHBondContact O-N 3.37Å; D353-F356 WeakPolarHBondContact OD2-CE2 3.44Å; P354-F356 PolarHBondContact O-N 3.39Å; P354-F356 VanDerWaalsContact O-N 3.15Å; F356-W379 PolarHBondContact O-N 3.4Å; F356-A380 CarbonylContact C-O 3.5Å; F356-A380 HydrophobicContact CB-CB 4.3Å; F356-A380 WeakPolarHBondContact CB-O 3.46Å; F356-A380 HydrophobicContact CD1-CB 4.23Å; F356-V382 HydrophobicContact CB-CB 4.47Å; F356-V382 HydrophobicContact CB-CG2 3.91Å; F356-V382 HydrophobicContact CD1-CG2 3.87Å; F356-V382 HydrophobicContact CD2-CB 3.7Å; F356-V382 HydrophobicContact CD2-CG1 4.37Å; F356-V382 HydrophobicContact CD2-CG2 3.43Å; F356-V382 VanDerWaalsContact CD2-CG2 3.43Å; F356-V382 HydrophobicContact CE1-CG2 4.22Å; F356-V382 HydrophobicContact CE2-CB 4.14Å; F356-V382 HydrophobicContact CE2-CG1 4.34Å; F356-V382 HydrophobicContact CE2-CG2 3.81Å; F356-V382 HydrophobicContact CG-CB 4.15Å; F356-V382 HydrophobicContact CG-CG2 3.44Å; F356-V382 VanDerWaalsContact CG-CG2 3.44Å; F356-V382 HydrophobicContact CZ-CG2 4.18Å
357	G	84.8	Confident	91.3	Very high	4 Å²	4	31.5 Å²	31.5	4%	0.041	17%	0.172	C	C	.	.			trans	163.6	152.9	180	0	0	0	0	0	112	P354 A359	P354-G357 PolarHBondContact O-N 2.9Å; G357-A359 PolarHBondContact O-N 3.45Å
358	D	86.2	Confident	90.9	Very high	18 Å²	18	34.8 Å²	34.8	10%	0.096	19%	0.188	C	C	.	.			trans	-80.3	108.8	174.5	171	28.4	0	0	0	110.4	A137 T149 F360 M375	A137-D358 WeakPolarHBondContact CB-OD2 3.49Å; T149-D358 HydrophobicContact CG2-CB 3.83Å; D358-F360 VanDerWaalsContact C-N 3.31Å; D358-F360 WeakPolarHBondContact OD1-CB 3.27Å; D358-F360 PolarHBondContact OD1-N 3.13Å; D358-M375 WeakPolarHBondContact O-CE 3.49Å; D358-M375 VanDerWaalsContact O-SD 3.33Å
359	A	92.1	Very high	90.6	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	22%	0.219	C	C	.	.			trans	-76.6	-17.5	178.3	0	0	0	0	0	113	T249 S250 Y352 G357 W361 Y371	T249-A359 HydrophobicContact CG2-CB 4.24Å; S250-A359 WeakPolarHBondContact CB-O 3.35Å; Y352-A359 HydrophobicContact CD1-CB 3.46Å; Y352-A359 VanDerWaalsContact CD1-CB 3.46Å; Y352-A359 HydrophobicContact CD2-CB 4.06Å; Y352-A359 HydrophobicContact CE1-CB 3.64Å; Y352-A359 HydrophobicContact CE2-CB 4.21Å; Y352-A359 HydrophobicContact CG-CB 3.67Å; G357-A359 PolarHBondContact O-N 3.45Å; A359-W361 PolarHBondContact O-N 2.97Å; A359-Y371 WeakPolarHBondContact O-CE2 3.26Å; A359-Y371 PolarHBondContact O-OH 2.95Å
360	F	92.9	Very high	90.3	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	24%	0.24	C	C	.	.			trans	-62.9	130.3	-170.7	167.8	-125.9	0	0	0	112.7	F135 T249 C325 I326 N327 D358 N362	F135-F360 VanDerWaalsContact C-CE1 3.43Å; F135-F360 WeakPolarHBondContact O-CE1 3.37Å; F135-F360 VanDerWaalsContact O-CZ 3.27Å; F135-F360 WeakPolarHBondContact O-CZ 3.22Å; T249-F360 HydrophobicContact CG2-CB 4.22Å; C325-F360 HydrophobicContact CB-CE2 4.36Å; C325-F360 WeakPolarHBondContact O-CE2 2.98Å; I326-F360 VanDerWaalsContact O-CD2 3.28Å; I326-F360 WeakPolarHBondContact O-CD2 3.49Å; N327-F360 HydrophobicContact CB-CB 4.42Å; N327-F360 HydrophobicContact CB-CD1 4.3Å; N327-F360 HydrophobicContact CB-CG 4.16Å; D358-F360 VanDerWaalsContact C-N 3.31Å; D358-F360 WeakPolarHBondContact OD1-CB 3.27Å; D358-F360 PolarHBondContact OD1-N 3.13Å; F360-N362 HydrophobicContact CD1-CB 4.41Å; F360-N362 HydrophobicContact CE1-CB 3.66Å; F360-N362 HydrophobicContact CZ-CB 3.87Å
361	W	92.7	Very high	90.1	Very high	51 Å²	51	43.3 Å²	43.3	19%	0.193	24%	0.24	C	C	.	.			trans	-95.2	100.5	172.1	-175.2	41.3	0	0	0	112.6	T249 P251 A359 S363 Y366 M368 Y371	T249-W361 PolarHBondContact O-N 3.44Å; T249-W361 VanDerWaalsContact O-N 3.17Å; P251-W361 VanDerWaalsContact CD-CE3 3.4Å; P251-W361 HydrophobicContact CG-CB 4.45Å; P251-W361 HydrophobicContact CG-CD2 3.69Å; P251-W361 HydrophobicContact CG-CE3 3.12Å; P251-W361 HydrophobicContact CG-CG 4.28Å; P251-W361 HydrophobicContact CG-CH2 4.34Å; P251-W361 HydrophobicContact CG-CZ3 3.49Å; P251-W361 VanDerWaalsContact CG-CZ3 3.49Å; A359-W361 PolarHBondContact O-N 2.97Å; W361-S363 PolarHBondContact O-N 3.27Å; W361-S363 VanDerWaalsContact O-N 3.14Å; W361-Y366 PolarHBondContact NE1-O 2.88Å; W361-M368 HydrophobicContact CH2-CE 3.83Å; W361-M368 HydrophobicContact CZ2-CE 4.13Å; W361-M368 HydrophobicContact CZ3-CE 4.2Å; W361-Y371 HydrophobicContact CB-CD1 4.49Å; W361-Y371 HydrophobicContact CB-CD2 3.96Å; W361-Y371 HydrophobicContact CB-CE1 4.36Å; W361-Y371 HydrophobicContact CB-CE2 3.8Å; W361-Y371 HydrophobicContact CB-CG 4.32Å; W361-Y371 AromaticContact CD1-CD1 3.98Å; W361-Y371 AromaticContact CD1-CD2 3.48Å; W361-Y371 VanDerWaalsContact CD1-CD2 3.48Å; W361-Y371 AromaticContact CD1-CG 3.35Å; W361-Y371 HydrophobicContact CG-CD1 4.22Å; W361-Y371 AromaticContact CG-CD2 4Å; W361-Y371 HydrophobicContact CG-CD2 4Å; W361-Y371 HydrophobicContact CG-CE2 4.32Å; W361-Y371 AromaticContact CG-CG 3.96Å; W361-Y371 HydrophobicContact CG-CG 3.96Å; W361-Y371 AromaticContact NE1-CG 3.99Å
362	N	89.5	Confident	89.9	Confident	30 Å²	30	43.5 Å²	43.5	16%	0.16	24%	0.243	C	C	.	.			trans	-81.1	90	164.9	-166.6	-28	0	0	0	111	F135 F360 S364 K365 Y366	F135-N362 PolarHBondContact O-ND2 2.89Å; F360-N362 HydrophobicContact CD1-CB 4.41Å; F360-N362 HydrophobicContact CE1-CB 3.66Å; F360-N362 HydrophobicContact CZ-CB 3.87Å; N362-S364 PolarHBondContact O-N 2.87Å; N362-S364 VanDerWaalsContact O-N 3.16Å; N362-S364 WeakPolarHBondContact OD1-CB 3.03Å; N362-S364 PolarHBondContact OD1-N 3.33Å; N362-K365 HydrophobicContact CB-CB 4.24Å; N362-K365 PolarHBondContact O-N 3.46Å; N362-K365 PolarHBondContact OD1-N 3.05Å; N362-Y366 PolarHBondContact O-N 2.83Å
363	S	87.4	Confident	89.8	Confident	31 Å²	31	46.6 Å²	46.6	22%	0.217	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.5	176.8	59.9	0	0	0	0	114.9	W361 K365 R427	W361-S363 PolarHBondContact O-N 3.27Å; W361-S363 VanDerWaalsContact O-N 3.14Å; S363-K365 VanDerWaalsContact C-N 3.34Å; S363-R427 PolarHBondContact OG-NH2 3.49Å
364	S	85.1	Confident	89.8	Confident	80 Å²	80	45.7 Å²	45.7	56%	0.559	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.9	177.5	-52.2	0	0	0	0	112	N362	N362-S364 PolarHBondContact O-N 2.87Å; N362-S364 VanDerWaalsContact O-N 3.16Å; N362-S364 WeakPolarHBondContact OD1-CB 3.03Å; N362-S364 PolarHBondContact OD1-N 3.33Å
365	K	86.1	Confident	90	Very high	139 Å²	139	44.6 Å²	44.6	60%	0.604	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-33.8	-178.3	-168.7	173.1	-177.1	-178.7	0	113.2	N362 S363	N362-K365 HydrophobicContact CB-CB 4.24Å; N362-K365 PolarHBondContact O-N 3.46Å; N362-K365 PolarHBondContact OD1-N 3.05Å; S363-K365 VanDerWaalsContact C-N 3.34Å
366	Y	88.1	Confident	90.4	Very high	48 Å²	48	42.3 Å²	42.3	19%	0.188	24%	0.235	C	C	.	.			trans	-132.1	129.3	-172.6	-53.8	-66	0	0	0	112.2	W361 N362 T370 R374	W361-Y366 PolarHBondContact NE1-O 2.88Å; N362-Y366 PolarHBondContact O-N 2.83Å; Y366-T370 HydrophobicContact CD1-CG2 4.04Å; Y366-R374 VanDerWaalsContact CE2-CZ 3.49Å; Y366-R374 VanDerWaalsContact CZ-CZ 3.5Å; Y366-R374 PolarHBondContact OH-NH2 3.01Å
367	G	91.3	Very high	90.7	Very high	48 Å²	48	42.6 Å²	42.6	50%	0.495	24%	0.237	S	C	.	.			trans	-66.8	163.2	163.8	0	0	0	0	0	112	V369 T370 Y371	G367-V369 PolarHBondContact O-N 3.34Å; G367-T370 PolarHBondContact O-N 3.26Å; G367-Y371 WeakPolarHBondContact O-CB 3.5Å; G367-Y371 PolarHBondContact O-N 3.22Å
368	M	89.7	Confident	91.1	Very high	69 Å²	69	42.4 Å²	42.4	34%	0.34	24%	0.235	S	C	.	.	H	α-helix	trans	-56.4	-44.9	-175.1	-172.8	68	72.3	0	0	112.9	P251 W361 Y371 L372	P251-M368 HydrophobicContact CB-CE 3.84Å; P251-M368 HydrophobicContact CB-SD 4.06Å; P251-M368 HydrophobicContact CG-CE 3.69Å; P251-M368 HydrophobicContact CG-SD 4.04Å; W361-M368 HydrophobicContact CH2-CE 3.83Å; W361-M368 HydrophobicContact CZ2-CE 4.13Å; W361-M368 HydrophobicContact CZ3-CE 4.2Å; M368-Y371 WeakPolarHBondContact O-CB 3.3Å; M368-Y371 PolarHBondContact O-N 3.05Å; M368-Y371 HydrophobicContact SD-CD1 4.37Å; M368-L372 HydrophobicContact CG-CD1 4.04Å; M368-L372 HydrophobicContact CG-CG 4.41Å; M368-L372 WeakPolarHBondContact O-CB 3.49Å; M368-L372 VanDerWaalsContact O-CG 3.3Å; M368-L372 WeakPolarHBondContact O-CG 3.48Å; M368-L372 PolarHBondContact O-N 3.07Å; M368-L372 HydrophobicContact SD-CG 4.49Å
369	V	91.6	Very high	91.4	Very high	105 Å²	105	42.1 Å²	42.1	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-64.3	-49.5	-178.7	177.7	0	0	0	0	111.1	G367 Y371 L372 L373	G367-V369 PolarHBondContact O-N 3.34Å; V369-Y371 VanDerWaalsContact C-N 3.28Å; V369-Y371 PolarHBondContact O-N 2.9Å; V369-L372 PolarHBondContact O-N 2.79Å; V369-L373 HydrophobicContact CG1-CD1 4.2Å; V369-L373 WeakPolarHBondContact O-CG 3.31Å; V369-L373 PolarHBondContact O-N 3.21Å
370	T	92.7	Very high	91.4	Very high	75 Å²	75	42 Å²	42	46%	0.46	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-41.1	176.5	-50	0	0	0	0	111.3	Y366 G367 L373 R374	Y366-T370 HydrophobicContact CD1-CG2 4.04Å; G367-T370 PolarHBondContact O-N 3.26Å; T370-L373 PolarHBondContact O-N 2.98Å; T370-R374 WeakPolarHBondContact O-CG 3.47Å; T370-R374 PolarHBondContact O-N 3.09Å
371	Y	93.6	Very high	91.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.5	-48.8	175	167.6	-101.3	0	0	0	112	S250 I252 A359 W361 G367 M368 V369 L373 R374 M375	S250-Y371 WeakPolarHBondContact CB-OH 3.32Å; S250-Y371 WeakPolarHBondContact OG-CE1 3.35Å; S250-Y371 PolarHBondContact OG-OH 3.42Å; I252-Y371 HydrophobicContact CG2-CE1 4.12Å; A359-Y371 WeakPolarHBondContact O-CE2 3.26Å; A359-Y371 PolarHBondContact O-OH 2.95Å; W361-Y371 HydrophobicContact CB-CD1 4.49Å; W361-Y371 HydrophobicContact CB-CD2 3.96Å; W361-Y371 HydrophobicContact CB-CE1 4.36Å; W361-Y371 HydrophobicContact CB-CE2 3.8Å; W361-Y371 HydrophobicContact CB-CG 4.32Å; W361-Y371 AromaticContact CD1-CD1 3.98Å; W361-Y371 AromaticContact CD1-CD2 3.48Å; W361-Y371 VanDerWaalsContact CD1-CD2 3.48Å; W361-Y371 AromaticContact CD1-CG 3.35Å; W361-Y371 HydrophobicContact CG-CD1 4.22Å; W361-Y371 AromaticContact CG-CD2 4Å; W361-Y371 HydrophobicContact CG-CD2 4Å; W361-Y371 HydrophobicContact CG-CE2 4.32Å; W361-Y371 AromaticContact CG-CG 3.96Å; W361-Y371 HydrophobicContact CG-CG 3.96Å; W361-Y371 AromaticContact NE1-CG 3.99Å; G367-Y371 WeakPolarHBondContact O-CB 3.5Å; G367-Y371 PolarHBondContact O-N 3.22Å; M368-Y371 WeakPolarHBondContact O-CB 3.3Å; M368-Y371 PolarHBondContact O-N 3.05Å; M368-Y371 HydrophobicContact SD-CD1 4.37Å; V369-Y371 VanDerWaalsContact C-N 3.28Å; V369-Y371 PolarHBondContact O-N 2.9Å; Y371-L373 PolarHBondContact O-N 2.81Å; Y371-R374 WeakPolarHBondContact O-CA 3.43Å; Y371-R374 WeakPolarHBondContact O-CB 3.49Å; Y371-R374 PolarHBondContact O-N 2.96Å; Y371-R374 VanDerWaalsContact O-N 3.07Å; Y371-M375 HydrophobicContact CD2-CE 4.23Å; Y371-M375 HydrophobicContact CD2-CG 4.48Å; Y371-M375 HydrophobicContact CE1-CG 3.87Å; Y371-M375 HydrophobicContact CE2-CE 3.7Å; Y371-M375 HydrophobicContact CE2-CG 3.84Å; Y371-M375 HydrophobicContact CE2-SD 3.87Å; Y371-M375 VanDerWaalsContact CZ-CG 3.45Å; Y371-M375 PolarHBondContact O-N 3.4Å; Y371-M375 WeakPolarHBondContact OH-CG 3.44Å; Y371-M375 PolarHBondContact OH-SD 3.35Å; Y371-M375 VanDerWaalsContact OH-SD 3.42Å
372	L	93.9	Very high	91.5	Very high	54 Å²	54	40.2 Å²	40.2	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-40.6	178	-71.8	173.2	0	0	0	112	I252 M368 V369 R374 M375 M376	I252-L372 HydrophobicContact CG2-CD2 4.07Å; M368-L372 HydrophobicContact CG-CD1 4.04Å; M368-L372 HydrophobicContact CG-CG 4.41Å; M368-L372 WeakPolarHBondContact O-CB 3.49Å; M368-L372 VanDerWaalsContact O-CG 3.3Å; M368-L372 WeakPolarHBondContact O-CG 3.48Å; M368-L372 PolarHBondContact O-N 3.07Å; M368-L372 HydrophobicContact SD-CG 4.49Å; V369-L372 PolarHBondContact O-N 2.79Å; L372-R374 VanDerWaalsContact C-N 3.29Å; L372-R374 PolarHBondContact O-N 3.44Å; L372-M375 PolarHBondContact O-N 2.91Å; L372-M375 VanDerWaalsContact O-N 3.11Å; L372-M376 WeakPolarHBondContact O-CB 3.24Å; L372-M376 VanDerWaalsContact O-CG 3.3Å; L372-M376 WeakPolarHBondContact O-CG 3.31Å; L372-M376 PolarHBondContact O-N 2.85Å
373	L	93.6	Very high	91.8	Very high	75 Å²	75	38.9 Å²	38.9	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-63.2	-36.5	173.3	-71.7	174	0	0	0	111.7	L176 V369 T370 Y371 M376 T377	L176-L373 HydrophobicContact CD1-CD2 4.16Å; V369-L373 HydrophobicContact CG1-CD1 4.2Å; V369-L373 WeakPolarHBondContact O-CG 3.31Å; V369-L373 PolarHBondContact O-N 3.21Å; T370-L373 PolarHBondContact O-N 2.98Å; Y371-L373 PolarHBondContact O-N 2.81Å; L373-M376 PolarHBondContact O-N 2.93Å; L373-T377 WeakPolarHBondContact O-CB 3.34Å; L373-T377 WeakPolarHBondContact O-CG2 3.29Å; L373-T377 PolarHBondContact O-N 2.72Å; L373-T377 PolarHBondContact O-OG1 2.71Å
374	R	92.1	Very high	92.3	Very high	32 Å²	32	38.8 Å²	38.8	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-49.7	170.4	-71	173.7	88.2	-126.6	2	109.5	R148 Y366 T370 Y371 L372 M376 T377 S378	R148-R374 VanDerWaalsContact CZ-O 3.26Å; R148-R374 PolarHBondContact NH1-O 3.38Å; R148-R374 PolarHBondContact NH2-O 2.78Å; Y366-R374 VanDerWaalsContact CE2-CZ 3.49Å; Y366-R374 VanDerWaalsContact CZ-CZ 3.5Å; Y366-R374 PolarHBondContact OH-NH2 3.01Å; T370-R374 WeakPolarHBondContact O-CG 3.47Å; T370-R374 PolarHBondContact O-N 3.09Å; Y371-R374 WeakPolarHBondContact O-CA 3.43Å; Y371-R374 WeakPolarHBondContact O-CB 3.49Å; Y371-R374 PolarHBondContact O-N 2.96Å; Y371-R374 VanDerWaalsContact O-N 3.07Å; L372-R374 VanDerWaalsContact C-N 3.29Å; L372-R374 PolarHBondContact O-N 3.44Å; R374-M376 PolarHBondContact O-N 3.45Å; R374-T377 CarbonylContact O-C 3.6Å; R374-T377 PolarHBondContact O-N 2.93Å; R374-T377 PolarHBondContact O-OG1 2.92Å; R374-S378 PolarHBondContact O-N 2.87Å; R374-S378 VanDerWaalsContact O-N 3.12Å; R374-S378 PolarHBondContact O-OG 3.37Å
375	M	93.3	Very high	92.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-45.2	179.1	-63	-52.6	96.1	0	0	112.3	L225 D358 Y371 L372 T377 S378 I381	L225-M375 HydrophobicContact CD2-CB 3.96Å; D358-M375 WeakPolarHBondContact O-CE 3.49Å; D358-M375 VanDerWaalsContact O-SD 3.33Å; Y371-M375 HydrophobicContact CD2-CE 4.23Å; Y371-M375 HydrophobicContact CD2-CG 4.48Å; Y371-M375 HydrophobicContact CE1-CG 3.87Å; Y371-M375 HydrophobicContact CE2-CE 3.7Å; Y371-M375 HydrophobicContact CE2-CG 3.84Å; Y371-M375 HydrophobicContact CE2-SD 3.87Å; Y371-M375 VanDerWaalsContact CZ-CG 3.45Å; Y371-M375 PolarHBondContact O-N 3.4Å; Y371-M375 WeakPolarHBondContact OH-CG 3.44Å; Y371-M375 PolarHBondContact OH-SD 3.35Å; Y371-M375 VanDerWaalsContact OH-SD 3.42Å; L372-M375 PolarHBondContact O-N 2.91Å; L372-M375 VanDerWaalsContact O-N 3.11Å; M375-T377 PolarHBondContact O-N 3.48Å; M375-T377 VanDerWaalsContact O-N 3.17Å; M375-S378 WeakPolarHBondContact O-CB 3.47Å; M375-S378 PolarHBondContact O-N 2.93Å; M375-I381 HydrophobicContact CB-CD1 4.38Å; M375-I381 HydrophobicContact SD-CD1 3.75Å
376	M	94.2	Very high	93.5	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-68.6	-10.3	177.7	-68.5	178.9	179.9	0	0	113.9	L176 R179 I180 A183 L225 L372 L373 R374	L176-M376 HydrophobicContact CD1-CB 3.78Å; R179-M376 HydrophobicContact CB-CB 4.31Å; R179-M376 HydrophobicContact CB-CG 4.26Å; R179-M376 HydrophobicContact CB-SD 4.47Å; R179-M376 WeakPolarHBondContact CD-O 3.49Å; R179-M376 VanDerWaalsContact NH1-C 3.27Å; R179-M376 PolarHBondContact NH1-O 3.38Å; I180-M376 HydrophobicContact CG1-SD 4.32Å; A183-M376 HydrophobicContact CB-CE 3.57Å; L225-M376 HydrophobicContact CD2-CE 4.35Å; L225-M376 HydrophobicContact CD2-CG 3.89Å; L372-M376 WeakPolarHBondContact O-CB 3.24Å; L372-M376 VanDerWaalsContact O-CG 3.3Å; L372-M376 WeakPolarHBondContact O-CG 3.31Å; L372-M376 PolarHBondContact O-N 2.85Å; L373-M376 PolarHBondContact O-N 2.93Å; R374-M376 PolarHBondContact O-N 3.45Å
377	T	93.3	Very high	94.1	Very high	7 Å²	7	28.1 Å²	28.1	4%	0.043	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	5.1	171.1	54.1	0	0	0	0	112.8	R148 R171 Y172 L176 L373 R374 M375	R148-T377 PolarHBondContact NH1-OG1 3.26Å; R171-T377 WeakPolarHBondContact CD-O 3.33Å; R171-T377 PolarHBondContact NH1-O 2.89Å; Y172-T377 HydrophobicContact CD1-CG2 4.19Å; Y172-T377 HydrophobicContact CE1-CG2 3.77Å; Y172-T377 HydrophobicContact CE2-CG2 4.33Å; L176-T377 HydrophobicContact CB-CG2 4.32Å; L176-T377 HydrophobicContact CD1-CG2 3.93Å; L176-T377 HydrophobicContact CD2-CG2 3.87Å; L176-T377 HydrophobicContact CG-CG2 4.26Å; L373-T377 WeakPolarHBondContact O-CB 3.34Å; L373-T377 WeakPolarHBondContact O-CG2 3.29Å; L373-T377 PolarHBondContact O-N 2.72Å; L373-T377 PolarHBondContact O-OG1 2.71Å; R374-T377 CarbonylContact O-C 3.6Å; R374-T377 PolarHBondContact O-N 2.93Å; R374-T377 PolarHBondContact O-OG1 2.92Å; M375-T377 PolarHBondContact O-N 3.48Å; M375-T377 VanDerWaalsContact O-N 3.17Å
378	S	93	Very high	94.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-73.2	170.2	166.5	-66.1	0	0	0	0	110.6	R148 R179 R374 M375	R148-S378 PolarHBondContact NH2-OG 2.88Å; R179-S378 PolarHBondContact NH1-O 3.35Å; R179-S378 PolarHBondContact NH2-O 2.86Å; R374-S378 PolarHBondContact O-N 2.87Å; R374-S378 VanDerWaalsContact O-N 3.12Å; R374-S378 PolarHBondContact O-OG 3.37Å; M375-S378 WeakPolarHBondContact O-CB 3.47Å; M375-S378 PolarHBondContact O-N 2.93Å
379	W	92.3	Very high	94.8	Very high	13 Å²	13	27.2 Å²	27.2	5%	0.049	15%	0.152	C	C	.	.	S	Bend	trans	-69.5	-50.3	175.9	-70.6	108.5	0	0	0	111.6	Y46 L50 F54 N144 L145 G167 R171 R179 F356	Y46-W379 PolarHBondContact OH-O 3.02Å; L50-W379 HydrophobicContact CD1-CB 3.79Å; L50-W379 HydrophobicContact CD1-CG 4.4Å; L50-W379 HydrophobicContact CD2-CD2 3.91Å; L50-W379 HydrophobicContact CD2-CE3 3.65Å; L50-W379 HydrophobicContact CD2-CG 4.34Å; L50-W379 HydrophobicContact CD2-CZ3 4.04Å; F54-W379 AromaticContact CE1-CD1 3.95Å; F54-W379 HydrophobicContact CE1-CG 4.45Å; F54-W379 AromaticContact CE1-NE1 3.82Å; F54-W379 HydrophobicContact CZ-CB 4.32Å; F54-W379 AromaticContact CZ-CD1 3.51Å; F54-W379 HydrophobicContact CZ-CD2 4.45Å; F54-W379 AromaticContact CZ-CG 3.87Å; F54-W379 HydrophobicContact CZ-CG 3.87Å; F54-W379 AromaticContact CZ-NE1 3.88Å; N144-W379 VanDerWaalsContact O-CD1 3.23Å; N144-W379 PolarHBondContact O-NE1 2.93Å; L145-W379 HydrophobicContact CB-CZ2 3.92Å; L145-W379 HydrophobicContact CD1-CH2 4.46Å; L145-W379 HydrophobicContact CD1-CZ2 3.72Å; L145-W379 HydrophobicContact CG-CZ2 4.43Å; G167-W379 VanDerWaalsContact CA-CH2 3.5Å; R171-W379 HydrophobicContact CG-CD2 4.45Å; R171-W379 HydrophobicContact CG-CE3 4.13Å; R171-W379 HydrophobicContact CG-CH2 4.5Å; R171-W379 HydrophobicContact CG-CZ3 4.16Å; R179-W379 PolarHBondContact NH2-O 2.95Å; F356-W379 PolarHBondContact O-N 3.4Å
380	A	92.3	Very high	95.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.			trans	-156.7	169.1	172.8	0	0	0	0	0	108.6	Y46 T226 F356 V382	Y46-A380 HydrophobicContact CE1-CB 4.47Å; T226-A380 HydrophobicContact CG2-CB 4.13Å; T226-A380 WeakPolarHBondContact O-CB 3.44Å; F356-A380 CarbonylContact C-O 3.5Å; F356-A380 HydrophobicContact CB-CB 4.3Å; F356-A380 WeakPolarHBondContact CB-O 3.46Å; F356-A380 HydrophobicContact CD1-CB 4.23Å; A380-V382 HydrophobicContact CB-CG2 3.98Å
381	I	93.8	Very high	95.4	Very high	3 Å²	3	23 Å²	23	2%	0.015	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.6	165.5	-56.3	-58.4	0	0	0	106.6	L225 T226 A227 I228 I252 Y352 M375	L225-I381 HydrophobicContact CB-CG1 4.08Å; T226-I381 PolarHBondContact O-N 2.77Å; A227-I381 CarbonylContact C-O 3.51Å; A227-I381 WeakPolarHBondContact CA-O 3.35Å; I228-I381 PolarHBondContact N-O 2.69Å; I252-I381 HydrophobicContact CD1-CG1 4.47Å; I252-I381 HydrophobicContact CD1-CG2 3.98Å; Y352-I381 HydrophobicContact CD1-CG2 3.86Å; Y352-I381 HydrophobicContact CE1-CG2 3.56Å; M375-I381 HydrophobicContact CB-CD1 4.38Å; M375-I381 HydrophobicContact SD-CD1 3.75Å
382	V	94.1	Very high	95.6	Very high	15 Å²	15	26.9 Å²	26.9	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.7	-177.6	-177.2	0	0	0	0	108	M47 I228 Y352 D353 F356 A380	M47-V382 HydrophobicContact SD-CG1 4.45Å; I228-V382 HydrophobicContact CB-CG2 4.19Å; I228-V382 HydrophobicContact CD1-CG2 4.27Å; I228-V382 WeakPolarHBondContact O-CA 3.37Å; Y352-V382 WeakPolarHBondContact CA-O 3.34Å; D353-V382 HydrophobicContact CB-CB 4.07Å; D353-V382 HydrophobicContact CB-CG1 4.15Å; D353-V382 PolarHBondContact N-O 2.75Å; F356-V382 HydrophobicContact CB-CB 4.47Å; F356-V382 HydrophobicContact CB-CG2 3.91Å; F356-V382 HydrophobicContact CD1-CG2 3.87Å; F356-V382 HydrophobicContact CD2-CB 3.7Å; F356-V382 HydrophobicContact CD2-CG1 4.37Å; F356-V382 HydrophobicContact CD2-CG2 3.43Å; F356-V382 VanDerWaalsContact CD2-CG2 3.43Å; F356-V382 HydrophobicContact CE1-CG2 4.22Å; F356-V382 HydrophobicContact CE2-CB 4.14Å; F356-V382 HydrophobicContact CE2-CG1 4.34Å; F356-V382 HydrophobicContact CE2-CG2 3.81Å; F356-V382 HydrophobicContact CG-CB 4.15Å; F356-V382 HydrophobicContact CG-CG2 3.44Å; F356-V382 VanDerWaalsContact CG-CG2 3.44Å; F356-V382 HydrophobicContact CZ-CG2 4.18Å; A380-V382 HydrophobicContact CB-CG2 3.98Å
383	C	96.6	Very high	95.7	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.2	176.1	63.4	0	0	0	0	112.6	I228 I229 T230 I350 K351 Y352	I228-C383 PolarHBondContact O-N 3.12Å; I229-C383 WeakPolarHBondContact CA-O 3.33Å; T230-C383 PolarHBondContact N-O 2.93Å; I350-C383 HydrophobicContact CG2-CB 4.48Å; K351-C383 CarbonylContact O-C 3.53Å; K351-C383 WeakPolarHBondContact O-CA 3.43Å; K351-C383 WeakPolarHBondContact O-CB 3.44Å; Y352-C383 HydrophobicContact CD1-CB 3.64Å; Y352-C383 HydrophobicContact CE1-CB 3.92Å; Y352-C383 HydrophobicContact CG-CB 4.07Å
384	S	97.8	Very high	95.8	Very high	29 Å²	29	30.8 Å²	30.8	20%	0.203	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.1	168.8	-70.9	0	0	0	0	109.6	T230 I350 K351 W386	T230-S384 CarbonylContact O-C 3.45Å; T230-S384 WeakPolarHBondContact O-CA 3.29Å; I350-S384 WeakPolarHBondContact CA-O 3.44Å; K351-S384 PolarHBondContact N-O 3.14Å; K351-S384 PolarHBondContact O-N 3.19Å; S384-W386 WeakPolarHBondContact O-CZ3 3.26Å
385	V	98.6	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.9	179.3	177.4	0	0	0	0	107.6	I229 T230 Y231 H232 I256 L257 V348 A349 I350 Y387	I229-V385 HydrophobicContact CG2-CG2 3.75Å; T230-V385 PolarHBondContact O-N 3.22Å; Y231-V385 CarbonylContact C-O 3.58Å; Y231-V385 WeakPolarHBondContact CA-O 3.2Å; Y231-V385 HydrophobicContact CD1-CB 3.73Å; Y231-V385 HydrophobicContact CD1-CG1 3.95Å; Y231-V385 HydrophobicContact CD1-CG2 4.26Å; Y231-V385 HydrophobicContact CE1-CB 4.04Å; Y231-V385 HydrophobicContact CE1-CG1 4.21Å; Y231-V385 HydrophobicContact CE1-CG2 4.07Å; H232-V385 PolarHBondContact N-O 3.01Å; I256-V385 HydrophobicContact CG2-CG2 3.93Å; L257-V385 HydrophobicContact CD2-CG1 3.67Å; L257-V385 HydrophobicContact CD2-CG2 4.43Å; V348-V385 HydrophobicContact CG1-CG1 3.61Å; A349-V385 WeakPolarHBondContact O-CA 3.26Å; I350-V385 HydrophobicContact CG1-CG2 4.43Å; I350-V385 HydrophobicContact CG2-CG2 4.46Å; V385-Y387 HydrophobicContact CG1-CE1 4.37Å; V385-Y387 HydrophobicContact CG1-CE2 4.44Å
386	W	98.8	Very high	95.9	Very high	42 Å²	42	41.2 Å²	41.2	16%	0.159	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.6	175.5	-64.3	-98.2	0	0	0	109.5	H232 V348 A349 K351 S384 L388 Q413	H232-W386 HydrophobicContact CB-CB 4.44Å; H232-W386 HydrophobicContact CB-CG 3.93Å; H232-W386 AromaticContact CD2-CD1 3.72Å; H232-W386 AromaticContact CD2-CD2 3.95Å; H232-W386 AromaticContact CD2-CE2 3.56Å; H232-W386 AromaticContact CD2-NE1 3.38Å; H232-W386 PolarHBondContact CD2-NE1 2.99Å; H232-W386 AromaticContact CG-CD1 3.49Å; H232-W386 VanDerWaalsContact CG-CD1 3.49Å; H232-W386 AromaticContact CG-NE1 3.37Å; H232-W386 AromaticContact ND1-NE1 3.81Å; H232-W386 AromaticContact NE2-CE2 3.9Å; H232-W386 AromaticContact NE2-NE1 3.85Å; V348-W386 VanDerWaalsContact CA-O 3.29Å; V348-W386 WeakPolarHBondContact CA-O 3.38Å; V348-W386 WeakPolarHBondContact CG1-O 3.14Å; A349-W386 HydrophobicContact CB-CB 4.46Å; A349-W386 HydrophobicContact CB-CE3 4.26Å; A349-W386 PolarHBondContact N-O 3.46Å; A349-W386 PolarHBondContact O-N 3.23Å; K351-W386 HydrophobicContact CB-CH2 3.96Å; K351-W386 HydrophobicContact CB-CZ3 3.58Å; S384-W386 WeakPolarHBondContact O-CZ3 3.26Å; W386-L388 HydrophobicContact CB-CD1 4.16Å; W386-L388 WeakPolarHBondContact O-CD1 3.18Å; W386-Q413 HydrophobicContact CB-CG 3.67Å; W386-Q413 HydrophobicContact CD2-CG 4.26Å; W386-Q413 HydrophobicContact CG-CG 3.77Å
387	Y	98.8	Very high	95.9	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.7	169.7	-59.7	-74.7	0	0	0	108.4	Y231 H232 D233 R234 N236 R237 D260 V348 V385	Y231-Y387 AromaticContact CD1-CE2 3.91Å; Y231-Y387 HydrophobicContact CD1-CE2 3.91Å; H232-Y387 VanDerWaalsContact O-CD2 3.31Å; H232-Y387 WeakPolarHBondContact O-CD2 3.41Å; H232-Y387 PolarHBondContact O-N 3.04Å; D233-Y387 WeakPolarHBondContact CB-O 3Å; D233-Y387 WeakPolarHBondContact O-CB 3.3Å; R234-Y387 HydrophobicContact CG-CD2 4.43Å; R234-Y387 HydrophobicContact CG-CE2 4.33Å; N236-Y387 WeakPolarHBondContact CB-O 3.47Å; N236-Y387 PolarHBondContact ND2-O 3.05Å; R237-Y387 HydrophobicContact CG-CD1 4.06Å; R237-Y387 HydrophobicContact CG-CD2 3.87Å; R237-Y387 HydrophobicContact CG-CE1 3.97Å; R237-Y387 HydrophobicContact CG-CE2 3.76Å; R237-Y387 HydrophobicContact CG-CG 4.02Å; D260-Y387 WeakPolarHBondContact OD2-CE2 3.29Å; D260-Y387 PolarHBondContact OD2-OH 3.34Å; V348-Y387 HydrophobicContact CG1-CD1 4.3Å; V348-Y387 HydrophobicContact CG1-CE1 4.45Å; V348-Y387 HydrophobicContact CG2-CD1 3.71Å; V348-Y387 HydrophobicContact CG2-CE1 4.21Å; V385-Y387 HydrophobicContact CG1-CE1 4.37Å; V385-Y387 HydrophobicContact CG1-CE2 4.44Å
388	L	98.8	Very high	96	Very high	15 Å²	15	45 Å²	45	8%	0.079	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-83	158.2	-178.6	-72.9	74.3	0	0	0	110.5	N236 P347 A349 W386 A409 Q413	N236-L388 WeakPolarHBondContact CB-O 3.4Å; P347-L388 HydrophobicContact CB-CB 4.01Å; P347-L388 HydrophobicContact CB-CD2 4.33Å; P347-L388 HydrophobicContact CG-CB 4.2Å; P347-L388 WeakPolarHBondContact O-CB 3.43Å; P347-L388 PolarHBondContact O-N 2.97Å; A349-L388 HydrophobicContact CB-CD1 4.12Å; W386-L388 HydrophobicContact CB-CD1 4.16Å; W386-L388 WeakPolarHBondContact O-CD1 3.18Å; L388-A409 HydrophobicContact CD2-CB 3.85Å; L388-A409 WeakPolarHBondContact CD2-O 3.12Å; L388-Q413 HydrophobicContact CD1-CB 4.13Å; L388-Q413 HydrophobicContact CD1-CG 3.92Å; L388-Q413 HydrophobicContact CD2-CB 4.04Å; L388-Q413 HydrophobicContact CG-CB 4.34Å; L388-Q413 HydrophobicContact CG-CG 4.29Å
389	P	98.6	Very high	96.1	Very high	83 Å²	83	45.4 Å²	45.4	54%	0.539	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-50.8	141.3	174.1	-28.4	36	0	0	0	112.7	P347	P347-P389 WeakPolarHBondContact CD-O 3.33Å
390	P	98.4	Very high	96.3	Very high	65 Å²	65	48 Å²	48	42%	0.422	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-62.4	143.3	179.6	25.5	-33.3	0	0	0	111.4	T344 V345 Y346	T344-P390 HydrophobicContact CG2-CB 3.67Å; V345-P390 CarbonylContact O-C 3.47Å; V345-P390 WeakPolarHBondContact O-CA 3.43Å; Y346-P390 HydrophobicContact CD1-CB 3.88Å; Y346-P390 HydrophobicContact CE1-CB 3.7Å; Y346-P390 HydrophobicContact CE1-CG 4.28Å
391	M	98.3	Very high	96.5	Very high	26 Å²	26	52.8 Å²	52.8	13%	0.128	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-122.2	143.2	-178.9	-58.7	175.1	66.8	0	0	110.1	V345 P347 F402 R405 V406 A409	V345-M391 PolarHBondContact N-O 3.33Å; V345-M391 PolarHBondContact O-N 2.9Å; P347-M391 HydrophobicContact CG-CG 3.93Å; P347-M391 HydrophobicContact CG-SD 3.52Å; P347-M391 VanDerWaalsContact CG-SD 3.52Å; M391-F402 HydrophobicContact CB-CE2 3.87Å; M391-F402 HydrophobicContact CB-CZ 4.25Å; M391-R405 HydrophobicContact CE-CB 4.29Å; M391-R405 HydrophobicContact CE-CG 3.71Å; M391-R405 VanDerWaalsContact CE-NH1 3.35Å; M391-V406 HydrophobicContact CB-CG2 4.36Å; M391-V406 HydrophobicContact CE-CG2 3.82Å; M391-V406 HydrophobicContact SD-CB 4.43Å; M391-V406 HydrophobicContact SD-CG2 3.78Å; M391-A409 HydrophobicContact SD-CB 4.37Å
392	T	97.1	Very high	96.7	Very high	82 Å²	82	52.9 Å²	52.9	50%	0.503	30%	0.297	S	S	.	.			trans	-125.1	153.1	170.2	52.8	0	0	0	0	108.3	T344 E394 R405	T344-T392 HydrophobicContact CG2-CG2 4.25Å; T392-E394 PolarHBondContact O-N 2.87Å; T392-R405 PolarHBondContact O-NH2 3.42Å
393	R	96	Very high	96.8	Very high	116 Å²	116	52.2 Å²	52.2	44%	0.438	29%	0.293	S	S	.	.			trans	-64.7	130.9	177.9	-170.5	174	75.3	179	2	109.5	E397 F402	R393-E397 WeakPolarHBondContact CD-O 3.31Å; R393-E397 HydrophobicContact CG-CB 4.14Å; R393-E397 HydrophobicContact CG-CG 4.45Å; R393-E397 VanDerWaalsContact CG-O 3.26Å; R393-E397 WeakPolarHBondContact CG-O 3.18Å; R393-F402 HydrophobicContact CB-CB 4.44Å; R393-F402 HydrophobicContact CB-CD1 3.72Å; R393-F402 HydrophobicContact CB-CE1 4.08Å; R393-F402 HydrophobicContact CB-CG 4.01Å; R393-F402 HydrophobicContact CG-CB 4.02Å; R393-F402 HydrophobicContact CG-CD1 4.16Å; R393-F402 HydrophobicContact CG-CG 4.13Å
394	E	95.3	Very high	96.9	Very high	95 Å²	95	54.3 Å²	54.3	44%	0.444	30%	0.304	S	S	.	.			trans	-75.1	163.9	177.2	-68.2	165.7	-158.2	0	0	110.7	T392 D396 E397 R405	T392-E394 PolarHBondContact O-N 2.87Å; E394-D396 VanDerWaalsContact C-N 3.3Å; E394-D396 PolarHBondContact O-N 3.04Å; E394-E397 HydrophobicContact CB-CB 3.9Å; E394-E397 PolarHBondContact N-OE2 2.89Å; E394-E397 PolarHBondContact O-N 3.07Å; E394-R405 IonicContact OE1-CZ 3.32Å; E394-R405 VanDerWaalsContact OE1-CZ 3.24Å; E394-R405 IonicContact OE1-NE 3.64Å; E394-R405 IonicContact OE1-NH1 3.68Å; E394-R405 PolarHBondContact OE1-NH1 2.92Å; E394-R405 IonicContact OE1-NH2 2.79Å
395	A	92.8	Very high	96.9	Very high	117 Å²	117	56.4 Å²	56.4	97%	0.967	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.9	-172.1	0	0	0	0	0	113
396	D	94.4	Very high	96.9	Very high	136 Å²	136	56.4 Å²	56.4	73%	0.727	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	1.5	178.8	60.6	-37.9	0	0	0	113.2	E394	E394-D396 VanDerWaalsContact C-N 3.3Å; E394-D396 PolarHBondContact O-N 3.04Å
397	E	95.3	Very high	96.9	Very high	22 Å²	22	54.4 Å²	54.4	10%	0.103	30%	0.3	C	S	.	.			trans	-101.3	125.8	-175.7	-168.2	-177.3	-140.8	0	0	111.3	R393 E394 Q401 F402 R405	R393-E397 WeakPolarHBondContact CD-O 3.31Å; R393-E397 HydrophobicContact CG-CB 4.14Å; R393-E397 HydrophobicContact CG-CG 4.45Å; R393-E397 VanDerWaalsContact CG-O 3.26Å; R393-E397 WeakPolarHBondContact CG-O 3.18Å; E394-E397 HydrophobicContact CB-CB 3.9Å; E394-E397 PolarHBondContact N-OE2 2.89Å; E394-E397 PolarHBondContact O-N 3.07Å; E397-Q401 HydrophobicContact CG-CB 3.51Å; E397-F402 HydrophobicContact CG-CB 4.01Å; E397-F402 WeakPolarHBondContact OE1-CA 3.35Å; E397-F402 PolarHBondContact OE1-N 3.26Å; E397-F402 WeakPolarHBondContact OE2-CB 3.49Å; E397-F402 WeakPolarHBondContact OE2-CD2 3.42Å; E397-R405 IonicContact OE1-CZ 3.2Å; E397-R405 IonicContact OE1-NE 3.27Å; E397-R405 PolarHBondContact OE1-NE 3.39Å; E397-R405 IonicContact OE1-NH2 3.44Å; E397-R405 IonicContact OE2-CZ 2.81Å; E397-R405 IonicContact OE2-NE 3.79Å; E397-R405 PolarHBondContact OE2-NE 3.23Å; E397-R405 IonicContact OE2-NH2 3.7Å; E397-R405 PolarHBondContact OE2-NH2 2.85Å
398	D	95.6	Very high	96.8	Very high	83 Å²	83	56 Å²	56	44%	0.444	31%	0.311	S	S	.	.			trans	-78.1	172.8	169.8	81.1	24.2	0	0	0	112.2	V400 Q401 F402	D398-V400 VanDerWaalsContact C-N 3.26Å; D398-V400 PolarHBondContact O-N 2.86Å; D398-V400 WeakPolarHBondContact OD1-CA 3.48Å; D398-V400 WeakPolarHBondContact OD1-CB 3.23Å; D398-V400 PolarHBondContact OD1-N 3.06Å; D398-Q401 PolarHBondContact O-N 3.43Å; D398-Q401 WeakPolarHBondContact OD1-CG 3.43Å; D398-Q401 PolarHBondContact OD1-N 2.94Å; D398-F402 WeakPolarHBondContact O-CB 3.3Å; D398-F402 PolarHBondContact O-N 2.97Å
399	A	94.8	Very high	96.8	Very high	9 Å²	9	56 Å²	56	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-65.7	-26.5	-178	0	0	0	0	0	114	K336 F339 E340 A403	K336-A399 HydrophobicContact CB-CB 4.42Å; F339-A399 HydrophobicContact CB-CB 4.32Å; F339-A399 WeakPolarHBondContact CB-O 3.41Å; E340-A399 HydrophobicContact CB-CB 4.48Å; E340-A399 HydrophobicContact CG-CB 3.48Å; E340-A399 VanDerWaalsContact CG-CB 3.48Å; A399-A403 WeakPolarHBondContact O-CB 3.33Å; A399-A403 PolarHBondContact O-N 2.75Å
400	V	95.6	Very high	96.8	Very high	67 Å²	67	52.1 Å²	52.1	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-77.9	-45.1	178.8	177.6	0	0	0	0	110	K336 D398 F402 A403 N404	K336-V400 HydrophobicContact CB-CG2 4.01Å; K336-V400 HydrophobicContact CD-CG2 3.73Å; K336-V400 HydrophobicContact CG-CG2 4.46Å; D398-V400 VanDerWaalsContact C-N 3.26Å; D398-V400 PolarHBondContact O-N 2.86Å; D398-V400 WeakPolarHBondContact OD1-CA 3.48Å; D398-V400 WeakPolarHBondContact OD1-CB 3.23Å; D398-V400 PolarHBondContact OD1-N 3.06Å; V400-F402 VanDerWaalsContact C-N 3.3Å; V400-F402 PolarHBondContact O-N 3.45Å; V400-A403 PolarHBondContact O-N 3.43Å; V400-N404 WeakPolarHBondContact O-CB 3.39Å; V400-N404 PolarHBondContact O-N 3.35Å; V400-N404 PolarHBondContact O-ND2 3Å
401	Q	96.9	Very high	96.8	Very high	101 Å²	101	49.1 Å²	49.1	47%	0.472	27%	0.269	S	S	.	.	H	α-helix	trans	-59.1	-44	174	-67.5	171.7	-45.6	0	0	110.3	E397 D398 A403 N404 R405	E397-Q401 HydrophobicContact CG-CB 3.51Å; D398-Q401 PolarHBondContact O-N 3.43Å; D398-Q401 WeakPolarHBondContact OD1-CG 3.43Å; D398-Q401 PolarHBondContact OD1-N 2.94Å; Q401-A403 PolarHBondContact O-N 2.93Å; Q401-N404 WeakPolarHBondContact O-CB 3.31Å; Q401-N404 PolarHBondContact O-N 2.96Å; Q401-R405 PolarHBondContact O-N 3.19Å
402	F	97.9	Very high	96.8	Very high	4 Å²	4	57 Å²	57	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-45.6	175.2	-174.8	-145.2	0	0	0	113.2	F339 V345 M391 R393 E397 D398 V400 N404 R405 V406	F339-F402 HydrophobicContact CB-CD1 3.95Å; F339-F402 AromaticContact CD1-CD1 3.67Å; F339-F402 HydrophobicContact CD1-CD1 3.67Å; F339-F402 AromaticContact CD1-CE1 3.87Å; F339-F402 HydrophobicContact CD1-CE1 3.87Å; F339-F402 HydrophobicContact CD1-CG 4.18Å; F339-F402 HydrophobicContact CG-CD1 4.3Å; V345-F402 HydrophobicContact CB-CE1 4.4Å; V345-F402 HydrophobicContact CB-CZ 3.9Å; V345-F402 HydrophobicContact CG2-CE1 3.68Å; V345-F402 HydrophobicContact CG2-CZ 3.69Å; M391-F402 HydrophobicContact CB-CE2 3.87Å; M391-F402 HydrophobicContact CB-CZ 4.25Å; R393-F402 HydrophobicContact CB-CB 4.44Å; R393-F402 HydrophobicContact CB-CD1 3.72Å; R393-F402 HydrophobicContact CB-CE1 4.08Å; R393-F402 HydrophobicContact CB-CG 4.01Å; R393-F402 HydrophobicContact CG-CB 4.02Å; R393-F402 HydrophobicContact CG-CD1 4.16Å; R393-F402 HydrophobicContact CG-CG 4.13Å; E397-F402 HydrophobicContact CG-CB 4.01Å; E397-F402 WeakPolarHBondContact OE1-CA 3.35Å; E397-F402 PolarHBondContact OE1-N 3.26Å; E397-F402 WeakPolarHBondContact OE2-CB 3.49Å; E397-F402 WeakPolarHBondContact OE2-CD2 3.42Å; D398-F402 WeakPolarHBondContact O-CB 3.3Å; D398-F402 PolarHBondContact O-N 2.97Å; V400-F402 VanDerWaalsContact C-N 3.3Å; V400-F402 PolarHBondContact O-N 3.45Å; F402-N404 VanDerWaalsContact C-N 3.27Å; F402-N404 PolarHBondContact O-N 3.44Å; F402-R405 VanDerWaalsContact CE2-NH2 3.3Å; F402-R405 PolarHBondContact O-N 2.87Å; F402-V406 HydrophobicContact CD2-CG2 3.85Å; F402-V406 HydrophobicContact CE2-CG2 3.49Å; F402-V406 VanDerWaalsContact CE2-CG2 3.49Å; F402-V406 HydrophobicContact CZ-CG2 4.04Å; F402-V406 WeakPolarHBondContact O-CG2 3.48Å; F402-V406 PolarHBondContact O-N 3.01Å
403	A	97.6	Very high	96.9	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-42	174.9	0	0	0	0	0	111.6	F334 F339 A399 V400 Q401 K407	F334-A403 HydrophobicContact CB-CB 4.13Å; F339-A403 HydrophobicContact CB-CB 4.38Å; F339-A403 HydrophobicContact CD1-CB 4.14Å; F339-A403 HydrophobicContact CD2-CB 3.47Å; F339-A403 VanDerWaalsContact CD2-CB 3.47Å; F339-A403 HydrophobicContact CE1-CB 4.31Å; F339-A403 HydrophobicContact CE2-CB 3.66Å; F339-A403 HydrophobicContact CG-CB 3.73Å; F339-A403 HydrophobicContact CZ-CB 4.09Å; A399-A403 WeakPolarHBondContact O-CB 3.33Å; A399-A403 PolarHBondContact O-N 2.75Å; V400-A403 PolarHBondContact O-N 3.43Å; Q401-A403 PolarHBondContact O-N 2.93Å; A403-K407 VanDerWaalsContact O-CB 3.24Å; A403-K407 WeakPolarHBondContact O-CB 3.16Å; A403-K407 PolarHBondContact O-N 3.24Å
404	N	97.6	Very high	96.9	Very high	47 Å²	47	52 Å²	52	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-45	177.4	-77.3	-32.9	0	0	0	112.1	V400 Q401 F402 V406 K407 S408	V400-N404 WeakPolarHBondContact O-CB 3.39Å; V400-N404 PolarHBondContact O-N 3.35Å; V400-N404 PolarHBondContact O-ND2 3Å; Q401-N404 WeakPolarHBondContact O-CB 3.31Å; Q401-N404 PolarHBondContact O-N 2.96Å; F402-N404 VanDerWaalsContact C-N 3.27Å; F402-N404 PolarHBondContact O-N 3.44Å; N404-V406 VanDerWaalsContact C-N 3.33Å; N404-V406 PolarHBondContact O-N 3.46Å; N404-K407 WeakPolarHBondContact O-CB 3.33Å; N404-K407 PolarHBondContact O-N 3.03Å; N404-K407 WeakPolarHBondContact OD1-CE 3.21Å; N404-S408 WeakPolarHBondContact O-CB 3.35Å; N404-S408 PolarHBondContact O-N 3.27Å; N404-S408 PolarHBondContact O-OG 2.91Å
405	R	97.9	Very high	96.9	Very high	72 Å²	72	50.4 Å²	50.4	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-43.2	177.8	-168.9	175.6	49.2	111.7	-2.6	111.8	M391 T392 E394 E397 Q401 F402 A409	M391-R405 HydrophobicContact CE-CB 4.29Å; M391-R405 HydrophobicContact CE-CG 3.71Å; M391-R405 VanDerWaalsContact CE-NH1 3.35Å; T392-R405 PolarHBondContact O-NH2 3.42Å; E394-R405 IonicContact OE1-CZ 3.32Å; E394-R405 VanDerWaalsContact OE1-CZ 3.24Å; E394-R405 IonicContact OE1-NE 3.64Å; E394-R405 IonicContact OE1-NH1 3.68Å; E394-R405 PolarHBondContact OE1-NH1 2.92Å; E394-R405 IonicContact OE1-NH2 2.79Å; E397-R405 IonicContact OE1-CZ 3.2Å; E397-R405 IonicContact OE1-NE 3.27Å; E397-R405 PolarHBondContact OE1-NE 3.39Å; E397-R405 IonicContact OE1-NH2 3.44Å; E397-R405 IonicContact OE2-CZ 2.81Å; E397-R405 IonicContact OE2-NE 3.79Å; E397-R405 PolarHBondContact OE2-NE 3.23Å; E397-R405 IonicContact OE2-NH2 3.7Å; E397-R405 PolarHBondContact OE2-NH2 2.85Å; Q401-R405 PolarHBondContact O-N 3.19Å; F402-R405 VanDerWaalsContact CE2-NH2 3.3Å; F402-R405 PolarHBondContact O-N 2.87Å; R405-A409 PolarHBondContact O-N 3.41Å; R405-A409 VanDerWaalsContact O-N 3.08Å
406	V	98.4	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.4	-46.2	174.9	173.2	0	0	0	0	111.2	V245 F334 F339 V345 P347 M391 F402 N404 S408 A409 I410	V245-V406 HydrophobicContact CG1-CG1 3.97Å; F334-V406 HydrophobicContact CE2-CG1 4.24Å; F339-V406 HydrophobicContact CE1-CB 3.92Å; F339-V406 HydrophobicContact CE1-CG1 4.04Å; F339-V406 HydrophobicContact CE1-CG2 3.94Å; F339-V406 HydrophobicContact CZ-CB 4.49Å; F339-V406 HydrophobicContact CZ-CG1 4.38Å; V345-V406 HydrophobicContact CG1-CG1 3.99Å; V345-V406 HydrophobicContact CG1-CG2 4.2Å; P347-V406 HydrophobicContact CB-CG1 4.01Å; P347-V406 HydrophobicContact CG-CG1 4.13Å; M391-V406 HydrophobicContact CB-CG2 4.36Å; M391-V406 HydrophobicContact CE-CG2 3.82Å; M391-V406 HydrophobicContact SD-CB 4.43Å; M391-V406 HydrophobicContact SD-CG2 3.78Å; F402-V406 HydrophobicContact CD2-CG2 3.85Å; F402-V406 HydrophobicContact CE2-CG2 3.49Å; F402-V406 VanDerWaalsContact CE2-CG2 3.49Å; F402-V406 HydrophobicContact CZ-CG2 4.04Å; F402-V406 WeakPolarHBondContact O-CG2 3.48Å; F402-V406 PolarHBondContact O-N 3.01Å; N404-V406 VanDerWaalsContact C-N 3.33Å; N404-V406 PolarHBondContact O-N 3.46Å; V406-S408 PolarHBondContact O-N 2.9Å; V406-A409 PolarHBondContact O-N 3.38Å; V406-I410 HydrophobicContact CG1-CD1 4.15Å; V406-I410 WeakPolarHBondContact O-CG1 3.2Å; V406-I410 PolarHBondContact O-N 2.83Å
407	K	98.1	Very high	97	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-57.7	-48.9	176.6	179.5	-173.3	55.3	140.7	0	111.3	V331 M332 F334 A403 N404 A409 I410 A411 D418 L419	V331-K407 HydrophobicContact CB-CG 4.25Å; V331-K407 HydrophobicContact CG1-CD 4.26Å; V331-K407 HydrophobicContact CG1-CG 3.7Å; M332-K407 WeakPolarHBondContact O-CD 3.48Å; F334-K407 HydrophobicContact CD1-CB 4.35Å; F334-K407 HydrophobicContact CD1-CD 4.36Å; F334-K407 HydrophobicContact CD1-CG 4.19Å; F334-K407 HydrophobicContact CD2-CB 3.73Å; F334-K407 HydrophobicContact CD2-CG 4.43Å; F334-K407 HydrophobicContact CE1-CG 4.25Å; F334-K407 HydrophobicContact CE2-CB 3.91Å; F334-K407 HydrophobicContact CE2-CG 4.48Å; F334-K407 HydrophobicContact CG-CB 3.98Å; F334-K407 HydrophobicContact CG-CG 4.3Å; F334-K407 HydrophobicContact CZ-CB 4.31Å; F334-K407 HydrophobicContact CZ-CG 4.4Å; A403-K407 VanDerWaalsContact O-CB 3.24Å; A403-K407 WeakPolarHBondContact O-CB 3.16Å; A403-K407 PolarHBondContact O-N 3.24Å; N404-K407 WeakPolarHBondContact O-CB 3.33Å; N404-K407 PolarHBondContact O-N 3.03Å; N404-K407 WeakPolarHBondContact OD1-CE 3.21Å; K407-A409 VanDerWaalsContact C-N 3.29Å; K407-A409 PolarHBondContact O-N 3.46Å; K407-I410 PolarHBondContact O-N 3.44Å; K407-A411 WeakPolarHBondContact O-CB 3.33Å; K407-A411 PolarHBondContact O-N 3.06Å; K407-D418 WeakPolarHBondContact CD-OD1 3.32Å; K407-D418 WeakPolarHBondContact CE-OD1 3.47Å; K407-D418 IonicContact NZ-OD1 3.07Å; K407-D418 PolarHBondContact NZ-OD1 2.86Å; K407-L419 PolarHBondContact NZ-O 3.2Å
408	S	98.3	Very high	97	Very high	34 Å²	34	44.2 Å²	44.2	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-35.8	179.9	-59.8	0	0	0	0	112.1	N404 V406 R412 D418	N404-S408 WeakPolarHBondContact O-CB 3.35Å; N404-S408 PolarHBondContact O-N 3.27Å; N404-S408 PolarHBondContact O-OG 2.91Å; V406-S408 PolarHBondContact O-N 2.9Å; S408-R412 VanDerWaalsContact O-CB 3.23Å; S408-R412 WeakPolarHBondContact O-CB 3.48Å; S408-R412 PolarHBondContact O-N 3.26Å; S408-D418 WeakPolarHBondContact CA-OD2 3.4Å; S408-D418 VanDerWaalsContact CB-OD2 3.31Å; S408-D418 WeakPolarHBondContact CB-OD2 3.26Å; S408-D418 PolarHBondContact OG-OD2 3.22Å
409	A	98.6	Very high	96.8	Very high	16 Å²	16	40.6 Å²	40.6	13%	0.132	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-46.6	173.8	0	0	0	0	0	111.7	L388 M391 R405 V406 K407 R412 Q413	L388-A409 HydrophobicContact CD2-CB 3.85Å; L388-A409 WeakPolarHBondContact CD2-O 3.12Å; M391-A409 HydrophobicContact SD-CB 4.37Å; R405-A409 PolarHBondContact O-N 3.41Å; R405-A409 VanDerWaalsContact O-N 3.08Å; V406-A409 PolarHBondContact O-N 3.38Å; K407-A409 VanDerWaalsContact C-N 3.29Å; K407-A409 PolarHBondContact O-N 3.46Å; A409-R412 PolarHBondContact O-N 2.95Å; A409-Q413 WeakPolarHBondContact O-CB 3.47Å; A409-Q413 PolarHBondContact O-N 3.19Å
410	I	98.7	Very high	96.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-46.7	176.2	-71.1	172.4	0	0	0	111	V245 N247 V331 F334 P347 A349 V406 K407 Q413 G414	V245-I410 HydrophobicContact CG1-CD1 3.96Å; V245-I410 WeakPolarHBondContact O-CD1 3.39Å; N247-I410 HydrophobicContact CB-CG2 3.95Å; V331-I410 HydrophobicContact CG2-CG2 4.37Å; F334-I410 HydrophobicContact CE2-CD1 3.9Å; F334-I410 HydrophobicContact CZ-CD1 3.92Å; P347-I410 HydrophobicContact CB-CD1 3.91Å; P347-I410 HydrophobicContact CB-CG1 3.73Å; A349-I410 HydrophobicContact CB-CG2 4.09Å; V406-I410 HydrophobicContact CG1-CD1 4.15Å; V406-I410 WeakPolarHBondContact O-CG1 3.2Å; V406-I410 PolarHBondContact O-N 2.83Å; K407-I410 PolarHBondContact O-N 3.44Å; I410-Q413 PolarHBondContact O-N 3.49Å; I410-G414 PolarHBondContact O-N 3.49Å
411	A	98.1	Very high	96.2	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-61.7	-46	-179.5	0	0	0	0	0	111.3	V331 K407 G414 G415 L416 D418	V331-A411 HydrophobicContact CB-CB 4.39Å; V331-A411 HydrophobicContact CG2-CB 3.97Å; K407-A411 WeakPolarHBondContact O-CB 3.33Å; K407-A411 PolarHBondContact O-N 3.06Å; A411-G414 PolarHBondContact O-N 2.89Å; A411-G415 PolarHBondContact O-N 2.85Å; A411-L416 HydrophobicContact CB-CB 4.41Å; A411-L416 PolarHBondContact O-N 2.93Å; A411-D418 HydrophobicContact CB-CB 3.96Å
412	R	98.4	Very high	95.8	Very high	192 Å²	192	45.7 Å²	45.7	73%	0.725	24%	0.237	S	C	*	.	H	α-helix	trans	-60.4	-48.5	176.6	-171.3	-174.8	-57.2	119.5	2.8	112	S408 A409 G414 G415	S408-R412 VanDerWaalsContact O-CB 3.23Å; S408-R412 WeakPolarHBondContact O-CB 3.48Å; S408-R412 PolarHBondContact O-N 3.26Å; A409-R412 PolarHBondContact O-N 2.95Å; R412-G414 VanDerWaalsContact C-N 3.34Å; R412-G414 PolarHBondContact O-N 3.25Å; R412-G415 PolarHBondContact O-N 3.46Å
413	Q	98.3	Very high	95.2	Very high	84 Å²	84	45.5 Å²	45.5	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-64.6	-39.1	-179.5	-174.9	61	41.6	0	0	112.2	A349 W386 L388 A409 I410 G415	A349-Q413 HydrophobicContact CB-CB 4.09Å; A349-Q413 HydrophobicContact CB-CG 4.14Å; W386-Q413 HydrophobicContact CB-CG 3.67Å; W386-Q413 HydrophobicContact CD2-CG 4.26Å; W386-Q413 HydrophobicContact CG-CG 3.77Å; L388-Q413 HydrophobicContact CD1-CB 4.13Å; L388-Q413 HydrophobicContact CD1-CG 3.92Å; L388-Q413 HydrophobicContact CD2-CB 4.04Å; L388-Q413 HydrophobicContact CG-CB 4.34Å; L388-Q413 HydrophobicContact CG-CG 4.29Å; A409-Q413 WeakPolarHBondContact O-CB 3.47Å; A409-Q413 PolarHBondContact O-N 3.19Å; I410-Q413 PolarHBondContact O-N 3.49Å; Q413-G415 VanDerWaalsContact C-N 3.33Å
414	G	95.7	Very high	94.6	Very high	8 Å²	8	46.6 Å²	46.6	8%	0.082	25%	0.247	C	C	.	.	H	α-helix	trans	-80.2	-7.9	179.3	0	0	0	0	0	114.6	K351 I410 A411 R412 L416	K351-G414 WeakPolarHBondContact CD-O 3.46Å; I410-G414 PolarHBondContact O-N 3.49Å; A411-G414 PolarHBondContact O-N 2.89Å; R412-G414 VanDerWaalsContact C-N 3.34Å; R412-G414 PolarHBondContact O-N 3.25Å; G414-L416 VanDerWaalsContact C-N 3.31Å
415	G	96.1	Very high	94	Very high	62 Å²	62	46.4 Å²	46.4	64%	0.639	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	41.9	-170.2	0	0	0	0	0	112.2	A411 R412 Q413	A411-G415 PolarHBondContact O-N 2.85Å; R412-G415 PolarHBondContact O-N 3.46Å; Q413-G415 VanDerWaalsContact C-N 3.33Å
416	L	95.1	Very high	93.3	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.073	24%	0.239	C	C	.	.			trans	-107.6	145.9	-178.3	-55.6	173.6	0	0	0	109.8	N247 N328 V331 K351 A411 G414 D418	N247-L416 HydrophobicContact CB-CD1 4.45Å; N328-L416 WeakPolarHBondContact O-CD2 3.47Å; V331-L416 HydrophobicContact CG2-CB 3.86Å; V331-L416 HydrophobicContact CG2-CD1 3.4Å; V331-L416 HydrophobicContact CG2-CG 4.26Å; K351-L416 HydrophobicContact CD-CD2 3.86Å; A411-L416 HydrophobicContact CB-CB 4.41Å; A411-L416 PolarHBondContact O-N 2.93Å; G414-L416 VanDerWaalsContact C-N 3.31Å; L416-D418 PolarHBondContact O-N 3.37Å
417	V	93.8	Very high	92.5	Very high	69 Å²	69	52.7 Å²	52.7	42%	0.418	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.3	173.3	-177.3	0	0	0	0	109.8	T329 S330 V331 L419	T329-V417 PolarHBondContact O-N 3.35Å; S330-V417 CarbonylContact C-O 3.38Å; S330-V417 WeakPolarHBondContact CA-O 3.49Å; S330-V417 WeakPolarHBondContact CB-O 3.35Å; V331-V417 PolarHBondContact N-O 2.85Å; V417-L419 HydrophobicContact CG1-CD2 3.79Å; V417-L419 HydrophobicContact CG1-CG 4.17Å; V417-L419 PolarHBondContact O-N 3.03Å
418	D	94.6	Very high	91.8	Very high	62 Å²	62	59.4 Å²	59.4	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	107.1	178.1	-171.9	-6.4	0	0	0	110.4	K407 S408 A411 L416	K407-D418 WeakPolarHBondContact CD-OD1 3.32Å; K407-D418 WeakPolarHBondContact CE-OD1 3.47Å; K407-D418 IonicContact NZ-OD1 3.07Å; K407-D418 PolarHBondContact NZ-OD1 2.86Å; S408-D418 WeakPolarHBondContact CA-OD2 3.4Å; S408-D418 VanDerWaalsContact CB-OD2 3.31Å; S408-D418 WeakPolarHBondContact CB-OD2 3.26Å; S408-D418 PolarHBondContact OG-OD2 3.22Å; A411-D418 HydrophobicContact CB-CB 3.96Å; L416-D418 PolarHBondContact O-N 3.37Å
419	L	91.7	Very high	91.1	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	33%	0.328	C	S	.	.			trans	-105	140.1	-177.1	-63.6	176.8	0	0	0	111.8	R134 V331 M332 M333 K407 V417 W421	R134-L419 HydrophobicContact CG-CD1 3.89Å; V331-L419 PolarHBondContact O-N 2.9Å; M332-L419 HydrophobicContact CE-CD1 3.68Å; M332-L419 HydrophobicContact SD-CB 4.16Å; M332-L419 HydrophobicContact SD-CD1 3.89Å; M333-L419 PolarHBondContact N-O 3.46Å; K407-L419 PolarHBondContact NZ-O 3.2Å; V417-L419 HydrophobicContact CG1-CD2 3.79Å; V417-L419 HydrophobicContact CG1-CG 4.17Å; V417-L419 PolarHBondContact O-N 3.03Å; L419-W421 VanDerWaalsContact C-N 3.27Å
420	L	89.4	Confident	90.4	Very high	133 Å²	133	68.5 Å²	68.5	70%	0.696	34%	0.339	S	S	*	.			trans	-83.4	-5.6	174.7	-62.6	175.6	0	0	0	113
421	W	88.3	Confident	89.7	Confident	113 Å²	113	75 Å²	75	43%	0.428	37%	0.367	S	S	.	.	S	Bend	trans	-79.7	145.2	-173.5	-64.4	107.9	0	0	0	113.1	V131 M332 M333 L419 L425	V131-W421 HydrophobicContact CG1-CB 4.42Å; V131-W421 HydrophobicContact CG2-CB 4.14Å; V131-W421 HydrophobicContact CG2-CD2 3.93Å; V131-W421 HydrophobicContact CG2-CG 3.54Å; M332-W421 HydrophobicContact SD-CB 4.23Å; M333-W421 WeakPolarHBondContact CB-O 3.41Å; M333-W421 PolarHBondContact N-O 3.38Å; L419-W421 VanDerWaalsContact C-N 3.27Å; W421-L425 HydrophobicContact CB-CD1 4.27Å; W421-L425 HydrophobicContact CD2-CD1 4.4Å; W421-L425 HydrophobicContact CE3-CD1 3.77Å
422	D	88.4	Confident	89.2	Confident	38 Å²	38	79.7 Å²	79.7	20%	0.203	39%	0.392	C	S	.	.			trans	-75.8	126.9	176.4	-164	-51.1	0	0	0	111	M333 K335 G424 L425	M333-D422 HydrophobicContact CE-CB 3.8Å; M333-D422 WeakPolarHBondContact CE-OD2 3.27Å; K335-D422 IonicContact NZ-OD1 2.73Å; K335-D422 PolarHBondContact NZ-OD1 3.46Å; K335-D422 IonicContact NZ-OD2 3.66Å; K335-D422 PolarHBondContact NZ-OD2 3.3Å; D422-G424 PolarHBondContact O-N 2.92Å; D422-G424 WeakPolarHBondContact OD1-CA 3.33Å; D422-G424 PolarHBondContact OD1-N 2.87Å; D422-L425 WeakPolarHBondContact O-CB 3.34Å; D422-L425 WeakPolarHBondContact O-CG 3.34Å; D422-L425 PolarHBondContact O-N 3.06Å
423	G	85.6	Confident	88.7	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-59.4	-18.2	175.7	0	0	0	0	0	114.5	L425 K426	G423-L425 PolarHBondContact O-N 2.91Å; G423-K426 VanDerWaalsContact O-CB 3.29Å; G423-K426 WeakPolarHBondContact O-CB 3.28Å; G423-K426 PolarHBondContact O-N 3.07Å
424	G	84.5	Confident	88.1	Confident	24 Å²	24	75 Å²	75	25%	0.247	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-59.7	-23.4	172.3	0	0	0	0	0	113.8	D422 K426 R427 E428	D422-G424 PolarHBondContact O-N 2.92Å; D422-G424 WeakPolarHBondContact OD1-CA 3.33Å; D422-G424 PolarHBondContact OD1-N 2.87Å; G424-K426 PolarHBondContact O-N 2.81Å; G424-R427 PolarHBondContact O-N 2.91Å; G424-E428 PolarHBondContact O-N 3.38Å
425	L	86.1	Confident	87.7	Confident	42 Å²	42	78.6 Å²	78.6	22%	0.22	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-60.8	-10.8	174.3	-65.7	175.7	0	0	0	113.7	V131 W421 D422 G423 R427 V430	V131-L425 HydrophobicContact CG1-CB 4.34Å; V131-L425 HydrophobicContact CG1-CD1 4.14Å; W421-L425 HydrophobicContact CB-CD1 4.27Å; W421-L425 HydrophobicContact CD2-CD1 4.4Å; W421-L425 HydrophobicContact CE3-CD1 3.77Å; D422-L425 WeakPolarHBondContact O-CB 3.34Å; D422-L425 WeakPolarHBondContact O-CG 3.34Å; D422-L425 PolarHBondContact O-N 3.06Å; G423-L425 PolarHBondContact O-N 2.91Å; L425-R427 PolarHBondContact O-N 3.31Å; L425-V430 HydrophobicContact CD2-CG2 3.97Å
426	K	82.7	Confident	87.4	Confident	29 Å²	29	79.9 Å²	79.9	13%	0.126	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-58.3	-27	167.4	-171.3	174.7	-171	171.8	0	113.4	F135 C325 G423 G424	F135-K426 HydrophobicContact CB-CD 4.49Å; F135-K426 HydrophobicContact CB-CG 4.14Å; F135-K426 HydrophobicContact CD1-CB 3.79Å; F135-K426 HydrophobicContact CD1-CD 3.71Å; F135-K426 HydrophobicContact CD1-CG 3.77Å; F135-K426 HydrophobicContact CD2-CB 4.04Å; F135-K426 HydrophobicContact CD2-CG 4.27Å; F135-K426 HydrophobicContact CE1-CB 3.72Å; F135-K426 HydrophobicContact CE1-CD 4.19Å; F135-K426 HydrophobicContact CE1-CG 4.21Å; F135-K426 HydrophobicContact CE2-CB 3.98Å; F135-K426 HydrophobicContact CG-CB 3.95Å; F135-K426 HydrophobicContact CG-CD 4.19Å; F135-K426 HydrophobicContact CG-CG 3.79Å; F135-K426 HydrophobicContact CZ-CB 3.82Å; C325-K426 PolarHBondContact O-NZ 3.33Å; G423-K426 VanDerWaalsContact O-CB 3.29Å; G423-K426 WeakPolarHBondContact O-CB 3.28Å; G423-K426 PolarHBondContact O-N 3.07Å; G424-K426 PolarHBondContact O-N 2.81Å
427	R	82	Confident	87.1	Confident	176 Å²	176	84.1 Å²	84.1	66%	0.664	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.7	-27	-172.1	-58.5	179.4	-173.6	-135.3	4.3	113	S363 G424 L425	S363-R427 PolarHBondContact OG-NH2 3.49Å; G424-R427 PolarHBondContact O-N 2.91Å; L425-R427 PolarHBondContact O-N 3.31Å
428	E	84.1	Confident	86.6	Confident	142 Å²	142	86.2 Å²	86.2	66%	0.664	41%	0.409	S	S	*	.	S	Bend	trans	-103.5	154.9	-177.2	-64.1	177.4	-174.7	0	0	110.7	G424	G424-E428 PolarHBondContact O-N 3.38Å
429	K	83.3	Confident	86.3	Confident	183 Å²	183	89.3 Å²	89.3	80%	0.796	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-78.1	160.1	169	-69.4	-178.9	179.9	-179.2	0	109.6	K431	K429-K431 PolarHBondContact O-N 2.87Å
430	V	83.1	Confident	86.2	Confident	58 Å²	58	94.9 Å²	94.9	35%	0.352	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-53.2	135.8	167.4	-178.3	0	0	0	0	109.2	L425 F434 K435	L425-V430 HydrophobicContact CD2-CG2 3.97Å; V430-F434 HydrophobicContact CG1-CB 3.83Å; V430-F434 HydrophobicContact CG1-CD2 3.93Å; V430-F434 HydrophobicContact CG1-CG 4.31Å; V430-K435 WeakPolarHBondContact O-CE 3.33Å; V430-K435 PolarHBondContact O-NZ 2.86Å
431	K	83.7	Confident	86	Confident	136 Å²	136	92.4 Å²	92.4	59%	0.591	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-55.8	142.1	179	-64.4	-179.5	179.9	174.6	0	110.6	K429 T433 F434	K429-K431 PolarHBondContact O-N 2.87Å; K431-T433 PolarHBondContact O-N 2.69Å; K431-F434 HydrophobicContact CB-CD2 3.92Å; K431-F434 HydrophobicContact CB-CE2 4.34Å; K431-F434 HydrophobicContact CD-CE2 4.22Å; K431-F434 PolarHBondContact O-N 3.23Å; K431-F434 VanDerWaalsContact O-N 3.13Å
432	D	88.8	Confident	86	Confident	101 Å²	101	88.6 Å²	88.6	54%	0.54	42%	0.418	S	S	.	.	H	α-helix	trans	-62.4	-30.4	-178	-63.1	-37.2	0	0	0	112.3	F434 K435 E436	D432-F434 VanDerWaalsContact C-N 3.3Å; D432-F434 PolarHBondContact O-N 2.87Å; D432-K435 CarbonylContact O-C 3.51Å; D432-K435 WeakPolarHBondContact O-CA 3.29Å; D432-K435 WeakPolarHBondContact O-CB 3.35Å; D432-K435 PolarHBondContact O-N 3.44Å; D432-K435 IonicContact OD1-NZ 2.69Å; D432-K435 PolarHBondContact OD1-NZ 3.4Å; D432-E436 WeakPolarHBondContact O-CG 3.29Å; D432-E436 PolarHBondContact O-N 2.9Å
433	T	87.7	Confident	85.9	Confident	74 Å²	74	89.6 Å²	89.6	45%	0.454	43%	0.428	S	S	.	.	H	α-helix	trans	-55.5	-39.8	174.3	56.9	0	0	0	0	113.6	K431 K435 E436 E437	K431-T433 PolarHBondContact O-N 2.69Å; T433-K435 VanDerWaalsContact C-N 3.34Å; T433-E436 PolarHBondContact O-N 2.7Å; T433-E437 WeakPolarHBondContact O-CG 3.32Å; T433-E437 PolarHBondContact O-N 3.19Å
434	F	85.3	Confident	85.9	Confident	104 Å²	104	95.3 Å²	95.3	46%	0.456	45%	0.453	S	S	.	.	H	α-helix	trans	-71.2	-32.5	177.5	-68.3	-58.8	0	0	0	112	V430 K431 D432 Q438	V430-F434 HydrophobicContact CG1-CB 3.83Å; V430-F434 HydrophobicContact CG1-CD2 3.93Å; V430-F434 HydrophobicContact CG1-CG 4.31Å; K431-F434 HydrophobicContact CB-CD2 3.92Å; K431-F434 HydrophobicContact CB-CE2 4.34Å; K431-F434 HydrophobicContact CD-CE2 4.22Å; K431-F434 PolarHBondContact O-N 3.23Å; K431-F434 VanDerWaalsContact O-N 3.13Å; D432-F434 VanDerWaalsContact C-N 3.3Å; D432-F434 PolarHBondContact O-N 2.87Å; F434-Q438 PolarHBondContact O-N 3.44Å
435	K	86.9	Confident	85.6	Confident	83 Å²	83	95.2 Å²	95.2	36%	0.361	45%	0.447	S	S	.	.	H	α-helix	trans	-68.3	-44.5	173.6	-57.2	177.9	-166.5	150.1	0	110.2	V430 D432 T433 E437 Q438 Q439	V430-K435 WeakPolarHBondContact O-CE 3.33Å; V430-K435 PolarHBondContact O-NZ 2.86Å; D432-K435 CarbonylContact O-C 3.51Å; D432-K435 WeakPolarHBondContact O-CA 3.29Å; D432-K435 WeakPolarHBondContact O-CB 3.35Å; D432-K435 PolarHBondContact O-N 3.44Å; D432-K435 IonicContact OD1-NZ 2.69Å; D432-K435 PolarHBondContact OD1-NZ 3.4Å; T433-K435 VanDerWaalsContact C-N 3.34Å; K435-E437 VanDerWaalsContact C-N 3.31Å; K435-E437 PolarHBondContact O-N 2.85Å; K435-Q438 PolarHBondContact O-N 3.47Å; K435-Q439 VanDerWaalsContact O-CG 3.3Å; K435-Q439 WeakPolarHBondContact O-CG 3.48Å; K435-Q439 PolarHBondContact O-N 2.84Å
436	E	91.3	Very high	85.4	Confident	89 Å²	89	95.3 Å²	95.3	42%	0.416	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-37.5	176.2	-72	173	-161.4	0	0	111.9	D432 T433 Q439 K440	D432-E436 WeakPolarHBondContact O-CG 3.29Å; D432-E436 PolarHBondContact O-N 2.9Å; T433-E436 PolarHBondContact O-N 2.7Å; E436-Q439 PolarHBondContact O-N 2.91Å; E436-K440 WeakPolarHBondContact O-CB 3.33Å; E436-K440 WeakPolarHBondContact O-CG 3.27Å; E436-K440 PolarHBondContact O-N 3.5Å
437	E	87.2	Confident	85.2	Confident	103 Å²	103	96.5 Å²	96.5	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-46.3	174.1	-81	174.2	-178.6	0	0	112.1	T433 K435 Q439 K440 L441	T433-E437 WeakPolarHBondContact O-CG 3.32Å; T433-E437 PolarHBondContact O-N 3.19Å; K435-E437 VanDerWaalsContact C-N 3.31Å; K435-E437 PolarHBondContact O-N 2.85Å; E437-Q439 VanDerWaalsContact C-N 3.35Å; E437-Q439 PolarHBondContact O-N 3.41Å; E437-K440 PolarHBondContact O-N 3.4Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 2.83Å
438	Q	84.8	Confident	84.4	Confident	113 Å²	113	89.5 Å²	89.5	53%	0.528	44%	0.439	S	S	.	.	H	α-helix	trans	-63.5	-41.1	175.3	-68.2	-62.3	-49.2	0	0	111.9	F434 K435 K440 L441 Y442	F434-Q438 PolarHBondContact O-N 3.44Å; K435-Q438 PolarHBondContact O-N 3.47Å; Q438-K440 VanDerWaalsContact C-N 3.34Å; Q438-K440 PolarHBondContact O-N 2.89Å; Q438-L441 PolarHBondContact O-N 2.85Å; Q438-Y442 PolarHBondContact O-N 3.42Å; Q438-Y442 VanDerWaalsContact O-N 3.16Å
439	Q	88.3	Confident	83.1	Confident	126 Å²	126	87.5 Å²	87.5	59%	0.589	43%	0.433	S	S	*	.	H	α-helix	trans	-63.6	-39	174.7	-71.7	170.7	-14.6	0	0	112	K435 E436 E437 Y442 S443	K435-Q439 VanDerWaalsContact O-CG 3.3Å; K435-Q439 WeakPolarHBondContact O-CG 3.48Å; K435-Q439 PolarHBondContact O-N 2.84Å; E436-Q439 PolarHBondContact O-N 2.91Å; E437-Q439 VanDerWaalsContact C-N 3.35Å; E437-Q439 PolarHBondContact O-N 3.41Å; Q439-Y442 PolarHBondContact O-N 2.85Å; Q439-S443 VanDerWaalsContact O-CB 3.26Å; Q439-S443 WeakPolarHBondContact O-CB 3.33Å; Q439-S443 PolarHBondContact O-N 3.36Å
440	K	88.9	Confident	81.5	Confident	125 Å²	125	85.4 Å²	85.4	54%	0.543	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-41.4	175.7	-78.3	169.7	-174.8	170.3	0	111.7	E436 E437 Q438 Y442 S443 K444	E436-K440 WeakPolarHBondContact O-CB 3.33Å; E436-K440 WeakPolarHBondContact O-CG 3.27Å; E436-K440 PolarHBondContact O-N 3.5Å; E437-K440 PolarHBondContact O-N 3.4Å; Q438-K440 VanDerWaalsContact C-N 3.34Å; Q438-K440 PolarHBondContact O-N 2.89Å; K440-Y442 VanDerWaalsContact C-N 3.34Å; K440-S443 PolarHBondContact O-N 3.27Å; K440-K444 WeakPolarHBondContact O-CG 3.26Å; K440-K444 PolarHBondContact O-N 2.91Å
441	L	85.8	Confident	80	Confident	81 Å²	81	90 Å²	90	42%	0.424	44%	0.443	S	S	.	.	H	α-helix	trans	-58.5	-48.1	175.9	-73.2	169.6	0	0	0	111	L88 E437 Q438 K444 M445	L88-L441 HydrophobicContact CD2-CB 3.83Å; E437-L441 WeakPolarHBondContact O-CG 3.31Å; E437-L441 PolarHBondContact O-N 2.83Å; Q438-L441 PolarHBondContact O-N 2.85Å; L441-K444 PolarHBondContact O-N 3.45Å; L441-M445 PolarHBondContact O-N 3.35Å
442	Y	87.1	Confident	78.1	Confident	33 Å²	33	89.8 Å²	89.8	13%	0.129	45%	0.449	C	S	.	.	H	α-helix	trans	-65.8	-40.9	176.1	-177.3	-117.4	0	0	0	112.8	I92 F110 D114 F118 Q438 Q439 K440 K444 M445 I446	I92-Y442 HydrophobicContact CD1-CD2 3.9Å; I92-Y442 HydrophobicContact CD1-CE2 3.82Å; F110-Y442 WeakPolarHBondContact CD2-OH 3.5Å; F110-Y442 WeakPolarHBondContact CE2-OH 3.32Å; D114-Y442 HydrophobicContact CB-CE2 4.24Å; D114-Y442 WeakPolarHBondContact CB-OH 3.24Å; D114-Y442 PolarHBondContact OD2-OH 3.26Å; F118-Y442 HydrophobicContact CE2-CD1 4.43Å; F118-Y442 HydrophobicContact CE2-CD2 4.06Å; F118-Y442 HydrophobicContact CE2-CE1 4.19Å; F118-Y442 AromaticContact CE2-CE2 3.8Å; F118-Y442 HydrophobicContact CE2-CE2 3.8Å; F118-Y442 HydrophobicContact CE2-CG 4.35Å; F118-Y442 AromaticContact CE2-CZ 3.86Å; F118-Y442 HydrophobicContact CZ-CD1 4.13Å; F118-Y442 AromaticContact CZ-CD2 3.62Å; F118-Y442 HydrophobicContact CZ-CD2 3.62Å; F118-Y442 HydrophobicContact CZ-CE1 4.34Å; F118-Y442 AromaticContact CZ-CE2 3.86Å; F118-Y442 HydrophobicContact CZ-CE2 3.86Å; F118-Y442 AromaticContact CZ-CG 3.74Å; F118-Y442 HydrophobicContact CZ-CG 3.74Å; Q438-Y442 PolarHBondContact O-N 3.42Å; Q438-Y442 VanDerWaalsContact O-N 3.16Å; Q439-Y442 PolarHBondContact O-N 2.85Å; K440-Y442 VanDerWaalsContact C-N 3.34Å; Y442-K444 VanDerWaalsContact C-N 3.34Å; Y442-K444 PolarHBondContact O-N 3.49Å; Y442-M445 HydrophobicContact CD2-CE 3.49Å; Y442-M445 VanDerWaalsContact CD2-CE 3.49Å; Y442-M445 HydrophobicContact CE2-CE 3.35Å; Y442-M445 WeakPolarHBondContact O-CB 3.25Å; Y442-M445 PolarHBondContact O-N 2.99Å; Y442-M445 VanDerWaalsContact O-N 3.15Å; Y442-I446 HydrophobicContact CD1-CD1 3.98Å; Y442-I446 HydrophobicContact CE1-CD1 3.46Å; Y442-I446 VanDerWaalsContact CE1-CD1 3.46Å; Y442-I446 HydrophobicContact CE2-CD1 4.38Å; Y442-I446 PolarHBondContact O-N 3.01Å
443	S	86.8	Confident	76.1	Confident	59 Å²	59	92.6 Å²	92.6	41%	0.413	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-38.6	177.6	176.1	0	0	0	0	112.5	Q439 K440 M445 I446 V447	Q439-S443 VanDerWaalsContact O-CB 3.26Å; Q439-S443 WeakPolarHBondContact O-CB 3.33Å; Q439-S443 PolarHBondContact O-N 3.36Å; K440-S443 PolarHBondContact O-N 3.27Å; S443-M445 PolarHBondContact O-N 3.03Å; S443-I446 PolarHBondContact O-N 3.38Å; S443-I446 VanDerWaalsContact O-N 3.16Å; S443-V447 WeakPolarHBondContact O-CG2 3.35Å; S443-V447 PolarHBondContact O-N 3.19Å
444	K	85.2	Confident	74	Confident	121 Å²	121	93.8 Å²	93.8	53%	0.526	46%	0.463	S	S	.	.	H	α-helix	trans	-59.6	-37.4	175	-77	178.4	179.6	-172.2	0	112.1	K440 L441 Y442 I446 G448	K440-K444 WeakPolarHBondContact O-CG 3.26Å; K440-K444 PolarHBondContact O-N 2.91Å; L441-K444 PolarHBondContact O-N 3.45Å; Y442-K444 VanDerWaalsContact C-N 3.34Å; Y442-K444 PolarHBondContact O-N 3.49Å; K444-I446 VanDerWaalsContact C-N 3.32Å; K444-I446 PolarHBondContact O-N 2.87Å; K444-G448 WeakPolarHBondContact O-CA 3.41Å; K444-G448 PolarHBondContact O-N 3.47Å
445	M	79.4	Confident	72.2	Confident	22 Å²	22	99.7 Å²	99.7	11%	0.108	48%	0.482	C	S	.	.	H	α-helix	trans	-67.5	-32.7	178.1	-173.9	-173.5	70.9	0	0	112.3	E89 I92 P108 L441 Y442 S443	E89-M445 HydrophobicContact CG-CG 4.46Å; E89-M445 HydrophobicContact CG-SD 4.37Å; I92-M445 HydrophobicContact CB-CE 4.18Å; I92-M445 HydrophobicContact CB-SD 4.08Å; I92-M445 HydrophobicContact CD1-CE 3.72Å; I92-M445 HydrophobicContact CD1-SD 4.24Å; I92-M445 HydrophobicContact CG2-CE 3.65Å; I92-M445 HydrophobicContact CG2-SD 4Å; P108-M445 WeakPolarHBondContact CB-O 3.3Å; L441-M445 PolarHBondContact O-N 3.35Å; Y442-M445 HydrophobicContact CD2-CE 3.49Å; Y442-M445 VanDerWaalsContact CD2-CE 3.49Å; Y442-M445 HydrophobicContact CE2-CE 3.35Å; Y442-M445 WeakPolarHBondContact O-CB 3.25Å; Y442-M445 PolarHBondContact O-N 2.99Å; Y442-M445 VanDerWaalsContact O-N 3.15Å; S443-M445 PolarHBondContact O-N 3.03Å
446	I	81.6	Confident	69.8	Low	44 Å²	44	103.6 Å²	103.6	23%	0.226	52%	0.52	C	S	.	.	H	α-helix	trans	-81.7	-44.8	176.5	-63	171.8	0	0	0	111.5	P108 F110 Y442 S443 K444 G448	P108-I446 WeakPolarHBondContact CB-O 3.4Å; P108-I446 VanDerWaalsContact CG-O 3.27Å; P108-I446 WeakPolarHBondContact CG-O 3.14Å; P108-I446 CarbonylContact O-C 3.48Å; P108-I446 WeakPolarHBondContact O-CA 3.29Å; P108-I446 WeakPolarHBondContact O-CG2 3.32Å; F110-I446 HydrophobicContact CB-CD1 4.32Å; Y442-I446 HydrophobicContact CD1-CD1 3.98Å; Y442-I446 HydrophobicContact CE1-CD1 3.46Å; Y442-I446 VanDerWaalsContact CE1-CD1 3.46Å; Y442-I446 HydrophobicContact CE2-CD1 4.38Å; Y442-I446 PolarHBondContact O-N 3.01Å; S443-I446 PolarHBondContact O-N 3.38Å; S443-I446 VanDerWaalsContact O-N 3.16Å; K444-I446 VanDerWaalsContact C-N 3.32Å; K444-I446 PolarHBondContact O-N 2.87Å; I446-G448 VanDerWaalsContact C-N 3.33Å; I446-G448 PolarHBondContact O-N 3.34Å
447	V	77.4	Confident	68.8	Low	54 Å²	54	104.3 Å²	104.3	33%	0.327	53%	0.525	S	S	.	.	H	α-helix	trans	-81.6	-19.5	-173.1	-176.8	0	0	0	0	111.8	S443	S443-V447 WeakPolarHBondContact O-CG2 3.35Å; S443-V447 PolarHBondContact O-N 3.19Å
448	G	65.1	Low	67.8	Low	28 Å²	28	104.4 Å²	104.4	29%	0.289	53%	0.527	S	S	.	.			trans	75.9	161.9	-167.2	0	0	0	0	0	111.6	K444 I446 H450	K444-G448 WeakPolarHBondContact O-CA 3.41Å; K444-G448 PolarHBondContact O-N 3.47Å; I446-G448 VanDerWaalsContact C-N 3.33Å; I446-G448 PolarHBondContact O-N 3.34Å; G448-H450 PolarHBondContact O-N 3.3Å; G448-H450 VanDerWaalsContact O-N 3.17Å
449	N	58.4	Low	66.8	Low	101 Å²	101	103.9 Å²	103.9	54%	0.54	53%	0.527	S	S	.	.			trans	-65.9	117.6	170	-84.9	-18.2	0	0	0	108.4	E451 D452	N449-E451 PolarHBondContact O-N 3.11Å; N449-D452 PolarHBondContact O-N 3.07Å; N449-D452 VanDerWaalsContact O-N 3.11Å
450	H	49.3	Very low	65.6	Low	138 Å²	138	102.6 Å²	102.6	64%	0.639	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-12.6	177.7	-97.8	-75.9	0	0	0	114.1	G448	G448-H450 PolarHBondContact O-N 3.3Å; G448-H450 VanDerWaalsContact O-N 3.17Å
451	E	50.2	Low	64.1	Low	156 Å²	156	101.2 Å²	101.2	73%	0.729	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-32.8	175.3	-68.3	-173.4	159.4	0	0	112.8	N449 S454	N449-E451 PolarHBondContact O-N 3.11Å; E451-S454 PolarHBondContact O-OG 2.92Å
452	D	45.8	Very low	62.7	Low	131 Å²	131	102.5 Å²	102.5	70%	0.701	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-80.8	-17.5	-176.9	-79.8	-30.5	0	0	0	114	N449 S454	N449-D452 PolarHBondContact O-N 3.07Å; N449-D452 VanDerWaalsContact O-N 3.11Å; D452-S454 VanDerWaalsContact C-N 3.29Å; D452-S454 PolarHBondContact O-N 3.4Å
453	R	46.3	Very low	60.9	Low	160 Å²	160	107.5 Å²	107.5	60%	0.604	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-82.3	-4.1	177.5	-76.9	-175.6	172.1	176.5	-0.6	114.1
454	S	43.9	Very low	58.9	Low	98 Å²	98	111.2 Å²	111.2	69%	0.685	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-95	0.7	179.3	67.3	0	0	0	0	114.1	E451 D452	E451-S454 PolarHBondContact O-OG 2.92Å; D452-S454 VanDerWaalsContact C-N 3.29Å; D452-S454 PolarHBondContact O-N 3.4Å
455	R	47	Very low	56.8	Low	228 Å²	228	110.4 Å²	110.4	86%	0.86	57%	0.572	S	S	*	*			trans	-118.2	9.7	-179.1	-77	-173.1	172.1	179.6	-0.4	114.8
456	S	36.8	Very low	54.7	Low	165 Å²	165	118.5 Å²	118.5	100%	1.154	61%	0.614	S	S	*	*			trans	-101.6	0	173	65.6	0	0	0	0	111.8

Retrieved 456 of 456 residues in 2242.2 ms (Link to these results)

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