A0A096NTY5_PAPAN Loading...

G protein-coupled receptor kinase

AlphaFold DB (A0A2K5L696), UniProt , Accession A0A096NTY5, Species PAPAN (Papio anubis, Olive baboon), Gene GRK5, Length 590 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	56.2	Low	81.7	Confident	181 Å²	181	89.2 Å²	89.2	89%	0.892	47%	0.472	S	S	*	.				0	-59.2	0	-157	174.2	-67.3	0	0	109.6	L3 E4 L478	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.38Å; M1-E4 PolarHBondContact O-N 2.69Å; M1-L478 HydrophobicContact CB-CD1 4.46Å; M1-L478 HydrophobicContact CG-CD1 3.26Å; M1-L478 HydrophobicContact SD-CD1 4.26Å
2	E	68.8	Low	82.5	Confident	155 Å²	155	81.9 Å²	81.9	72%	0.724	43%	0.433	S	S	*	.	H	α-helix	trans	-59.7	-36.9	171.4	-146.2	174	-175.7	0	0	113.3	E4 N5 I6	E2-E4 PolarHBondContact O-N 2.88Å; E2-N5 PolarHBondContact O-N 2.73Å; E2-I6 HydrophobicContact CB-CD1 4.38Å; E2-I6 HydrophobicContact CG-CD1 3.93Å; E2-I6 VanDerWaalsContact O-CG1 3.26Å; E2-I6 WeakPolarHBondContact O-CG1 3.15Å; E2-I6 PolarHBondContact O-N 2.95Å
3	L	80.3	Confident	83	Confident	121 Å²	121	78.5 Å²	78.5	63%	0.634	42%	0.415	S	S	*	.	H	α-helix	trans	-60.1	-39.7	-178.7	-171.9	65.3	0	0	0	113.8	M1 I6 V7	M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.38Å; L3-I6 PolarHBondContact O-N 3.34Å; L3-V7 HydrophobicContact CD1-CG2 4.14Å; L3-V7 HydrophobicContact CG-CG2 4.23Å; L3-V7 VanDerWaalsContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.14Å; L3-V7 PolarHBondContact O-N 3.35Å
4	E	80.5	Confident	83.4	Confident	134 Å²	134	81.9 Å²	81.9	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-65.5	-43.2	-179.8	-73.5	-178	175.7	0	0	111.2	M1 E2 A8	M1-E4 PolarHBondContact O-N 2.69Å; E2-E4 PolarHBondContact O-N 2.88Å; E4-A8 WeakPolarHBondContact O-CB 3.26Å; E4-A8 PolarHBondContact O-N 3.42Å
5	N	83.1	Confident	83.7	Confident	19 Å²	19	76.9 Å²	76.9	10%	0.102	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-44.2	177.4	-165.4	51.8	0	0	0	111.4	E2 V7 A8 N9 D476 V477	E2-N5 PolarHBondContact O-N 2.73Å; N5-V7 PolarHBondContact O-N 3.48Å; N5-A8 PolarHBondContact O-N 3.47Å; N5-N9 WeakPolarHBondContact O-CB 3.5Å; N5-N9 PolarHBondContact O-N 3.45Å; N5-N9 PolarHBondContact O-ND2 3.12Å; N5-N9 PolarHBondContact O-OD1 2.83Å; N5-D476 PolarHBondContact ND2-OD1 2.88Å; N5-V477 PolarHBondContact OD1-N 3.47Å
6	I	85.5	Confident	83.7	Confident	84 Å²	84	74.9 Å²	74.9	43%	0.431	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-47.7	176.2	-68.7	165.9	0	0	0	110.7	E2 L3 N9 T10	E2-I6 HydrophobicContact CB-CD1 4.38Å; E2-I6 HydrophobicContact CG-CD1 3.93Å; E2-I6 VanDerWaalsContact O-CG1 3.26Å; E2-I6 WeakPolarHBondContact O-CG1 3.15Å; E2-I6 PolarHBondContact O-N 2.95Å; L3-I6 PolarHBondContact O-N 3.34Å; I6-N9 PolarHBondContact O-N 3.3Å; I6-T10 VanDerWaalsContact O-CB 3.28Å; I6-T10 WeakPolarHBondContact O-CB 3.28Å; I6-T10 PolarHBondContact O-N 2.9Å; I6-T10 PolarHBondContact O-OG1 2.89Å
7	V	88.2	Confident	83.6	Confident	76 Å²	76	79.6 Å²	79.6	46%	0.461	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-47.8	178.8	169.9	0	0	0	0	110.1	L3 N5 N9 T10 V11	L3-V7 HydrophobicContact CD1-CG2 4.14Å; L3-V7 HydrophobicContact CG-CG2 4.23Å; L3-V7 VanDerWaalsContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CB 3.31Å; L3-V7 WeakPolarHBondContact O-CG2 3.14Å; L3-V7 PolarHBondContact O-N 3.35Å; N5-V7 PolarHBondContact O-N 3.48Å; V7-N9 VanDerWaalsContact C-N 3.33Å; V7-N9 PolarHBondContact O-N 2.84Å; V7-T10 PolarHBondContact O-N 3.02Å; V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.25Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.07Å
8	A	87.5	Confident	82.6	Confident	25 Å²	25	76.4 Å²	76.4	21%	0.207	40%	0.395	C	S	.	.	H	α-helix	trans	-58.4	-43.6	179	0	0	0	0	0	112.3	E4 N5 L12 R190 V477	E4-A8 WeakPolarHBondContact O-CB 3.26Å; E4-A8 PolarHBondContact O-N 3.42Å; N5-A8 PolarHBondContact O-N 3.47Å; A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 2.89Å; A8-L12 VanDerWaalsContact O-N 3.09Å; A8-R190 HydrophobicContact CB-CB 3.93Å; A8-V477 HydrophobicContact CB-CG2 4.39Å
9	N	88.6	Confident	81.4	Confident	30 Å²	30	73.7 Å²	73.7	16%	0.16	39%	0.389	C	S	.	.	H	α-helix	trans	-67.9	-48.1	177.8	-70.5	-8.5	0	0	0	111.9	N5 I6 V7 V11 L12 L13 R190 V472	N5-N9 WeakPolarHBondContact O-CB 3.5Å; N5-N9 PolarHBondContact O-N 3.45Å; N5-N9 PolarHBondContact O-ND2 3.12Å; N5-N9 PolarHBondContact O-OD1 2.83Å; I6-N9 PolarHBondContact O-N 3.3Å; V7-N9 VanDerWaalsContact C-N 3.33Å; V7-N9 PolarHBondContact O-N 2.84Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.41Å; N9-L12 PolarHBondContact O-N 3.35Å; N9-L12 VanDerWaalsContact O-N 3.15Å; N9-L13 WeakPolarHBondContact O-CB 3.49Å; N9-L13 WeakPolarHBondContact O-CG 3.44Å; N9-L13 PolarHBondContact O-N 2.99Å; N9-R190 VanDerWaalsContact OD1-CD 3.31Å; N9-R190 WeakPolarHBondContact OD1-CD 3.46Å; N9-R190 PolarHBondContact OD1-NH1 2.62Å; N9-V472 HydrophobicContact CB-CG2 4.4Å
10	T	89.8	Confident	79.8	Confident	81 Å²	81	74.1 Å²	74.1	50%	0.497	41%	0.41	S	S	.	.	H	α-helix	trans	-59.8	-41.8	180	-55.7	0	0	0	0	111	I6 V7 K14	I6-T10 VanDerWaalsContact O-CB 3.28Å; I6-T10 WeakPolarHBondContact O-CB 3.28Å; I6-T10 PolarHBondContact O-N 2.9Å; I6-T10 PolarHBondContact O-OG1 2.89Å; V7-T10 PolarHBondContact O-N 3.02Å; T10-K14 VanDerWaalsContact O-CB 3.31Å; T10-K14 WeakPolarHBondContact O-CB 3.39Å; T10-K14 PolarHBondContact O-N 2.9Å
11	V	90.8	Very high	78.9	Confident	75 Å²	75	73 Å²	73	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-67.4	-39.4	178.1	175.5	0	0	0	0	111.4	V7 N9 A15 Y189	V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.25Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.07Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.41Å; V11-A15 PolarHBondContact O-N 2.94Å; V11-A15 VanDerWaalsContact O-N 3.15Å; V11-Y189 HydrophobicContact CG1-CD1 3.8Å; V11-Y189 HydrophobicContact CG1-CE1 3.81Å
12	L	90.4	Very high	79.5	Confident	2 Å²	2	75 Å²	75	1%	0.01	42%	0.42	C	S	.	.	H	α-helix	trans	-66.2	-48.7	175.9	178.3	63.1	0	0	0	111.9	A8 N9 K14 A15 R16 R190 L192 A202 M211	A8-L12 WeakPolarHBondContact O-CB 3.37Å; A8-L12 PolarHBondContact O-N 2.89Å; A8-L12 VanDerWaalsContact O-N 3.09Å; N9-L12 PolarHBondContact O-N 3.35Å; N9-L12 VanDerWaalsContact O-N 3.15Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.91Å; L12-A15 WeakPolarHBondContact O-CA 3.34Å; L12-A15 WeakPolarHBondContact O-CB 3.32Å; L12-A15 PolarHBondContact O-N 3.34Å; L12-R16 PolarHBondContact O-N 3.15Å; L12-R190 HydrophobicContact CB-CG 4.29Å; L12-R190 HydrophobicContact CD2-CG 3.76Å; L12-L192 HydrophobicContact CD2-CD2 4.18Å; L12-A202 HydrophobicContact CD1-CB 3.64Å; L12-M211 HydrophobicContact CD1-CE 3.81Å
13	L	89.9	Confident	79.9	Confident	37 Å²	37	73.7 Å²	73.7	19%	0.194	41%	0.409	C	S	.	.	H	α-helix	trans	-58.9	-44.8	179.3	-69.9	172.7	0	0	0	111	N9 A15 R16 E17 P469 R470 V472	N9-L13 WeakPolarHBondContact O-CB 3.49Å; N9-L13 WeakPolarHBondContact O-CG 3.44Å; N9-L13 PolarHBondContact O-N 2.99Å; L13-A15 PolarHBondContact O-N 3.36Å; L13-R16 WeakPolarHBondContact O-CB 3.26Å; L13-R16 PolarHBondContact O-N 2.87Å; L13-R16 VanDerWaalsContact O-N 3.12Å; L13-E17 PolarHBondContact O-N 2.62Å; L13-P469 WeakPolarHBondContact CD2-O 3.48Å; L13-R470 WeakPolarHBondContact CD1-O 3.45Å; L13-V472 HydrophobicContact CD2-CG2 4.06Å; L13-V472 HydrophobicContact CG-CG2 4.23Å
14	K	88.4	Confident	80.2	Confident	126 Å²	126	75.1 Å²	75.1	55%	0.548	41%	0.41	S	S	.	.	H	α-helix	trans	-62	-31.2	175.2	-171.1	169.7	-173.3	169	0	113.1	T10 L12 G19	T10-K14 VanDerWaalsContact O-CB 3.31Å; T10-K14 WeakPolarHBondContact O-CB 3.39Å; T10-K14 PolarHBondContact O-N 2.9Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.91Å; K14-G19 WeakPolarHBondContact O-CA 3.49Å; K14-G19 PolarHBondContact O-N 3.12Å
15	A	87.4	Confident	80.6	Confident	8 Å²	8	69.4 Å²	69.4	7%	0.066	39%	0.387	C	S	.	.	H	α-helix	trans	-74.5	-37.9	175	0	0	0	0	0	112.2	V11 L12 L13 G18 Y189 M211	V11-A15 PolarHBondContact O-N 2.94Å; V11-A15 VanDerWaalsContact O-N 3.15Å; L12-A15 WeakPolarHBondContact O-CA 3.34Å; L12-A15 WeakPolarHBondContact O-CB 3.32Å; L12-A15 PolarHBondContact O-N 3.34Å; L13-A15 PolarHBondContact O-N 3.36Å; A15-G18 PolarHBondContact O-N 3.49Å; A15-G18 VanDerWaalsContact O-N 3.11Å; A15-Y189 HydrophobicContact CB-CD1 4.24Å; A15-Y189 HydrophobicContact CB-CE1 3.47Å; A15-Y189 VanDerWaalsContact CB-CE1 3.47Å; A15-M211 HydrophobicContact CB-CE 4.27Å; A15-M211 HydrophobicContact CB-SD 4Å
16	R	84.6	Confident	81.2	Confident	45 Å²	45	69.3 Å²	69.3	17%	0.17	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-39.5	174.7	-75	171.8	66.7	-163.6	0.6	112.3	L12 L13 G18 N267 D321 P469 A471	L12-R16 PolarHBondContact O-N 3.15Å; L13-R16 WeakPolarHBondContact O-CB 3.26Å; L13-R16 PolarHBondContact O-N 2.87Å; L13-R16 VanDerWaalsContact O-N 3.12Å; R16-G18 PolarHBondContact O-N 3.49Å; R16-N267 PolarHBondContact NE-ND2 3.4Å; R16-D321 IonicContact CZ-OD1 2.9Å; R16-D321 IonicContact NE-OD1 2.68Å; R16-D321 PolarHBondContact NE-OD1 3.48Å; R16-D321 IonicContact NH2-OD1 2.64Å; R16-D321 PolarHBondContact NH2-OD1 3.09Å; R16-P469 PolarHBondContact NH1-O 3.49Å; R16-P469 PolarHBondContact NH2-O 2.94Å; R16-A471 PolarHBondContact NH1-O 2.92Å
17	E	80.6	Confident	81.6	Confident	155 Å²	155	66.5 Å²	66.5	72%	0.724	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	4.4	174.2	-67.8	176.2	175.1	0	0	114.1	L13	L13-E17 PolarHBondContact O-N 2.62Å
18	G	66.2	Low	81.9	Confident	21 Å²	21	71.6 Å²	71.6	22%	0.216	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	8.5	-178	0	0	0	0	0	113.9	A15 R16 K24 G25	A15-G18 PolarHBondContact O-N 3.49Å; A15-G18 VanDerWaalsContact O-N 3.11Å; R16-G18 PolarHBondContact O-N 3.49Å; G18-K24 CarbonylContact O-C 3.56Å; G18-K24 WeakPolarHBondContact O-CA 3.12Å; G18-G25 PolarHBondContact O-N 3.06Å
19	G	59.9	Low	82.2	Confident	26 Å²	26	76.6 Å²	76.6	27%	0.268	41%	0.407	S	S	.	.			trans	69.2	136.1	-175.8	0	0	0	0	0	112.1	K14 G21	K14-G19 WeakPolarHBondContact O-CA 3.49Å; K14-G19 PolarHBondContact O-N 3.12Å; G19-G21 VanDerWaalsContact C-N 3.25Å; G19-G21 PolarHBondContact O-N 3.36Å
20	G	50.1	Low	82.6	Confident	80 Å²	80	76.2 Å²	76.2	83%	0.825	40%	0.403	S	S	*	.	S	Bend	trans	-65.4	56.7	-168.5	0	0	0	0	0	118
21	G	61.2	Low	82.9	Confident	53 Å²	53	77.7 Å²	77.7	55%	0.546	40%	0.403	S	S	.	.	S	Bend	trans	-174.7	173.7	174.5	0	0	0	0	0	114.4	G19 R23 K24	G19-G21 VanDerWaalsContact C-N 3.25Å; G19-G21 PolarHBondContact O-N 3.36Å; G21-R23 PolarHBondContact O-N 3.35Å; G21-K24 PolarHBondContact O-N 3.33Å
22	K	67.1	Low	83.1	Confident	221 Å²	221	80.4 Å²	80.4	96%	0.961	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-4.2	-174.1	-61.8	-172.5	178.4	-174	0	116.6
23	R	76.9	Confident	83.4	Confident	129 Å²	129	84.6 Å²	84.6	49%	0.487	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-3.9	-171.7	-65.2	-179.9	-176.5	175.1	-1.7	113.7	G21 G25 K26 K28	G21-R23 PolarHBondContact O-N 3.35Å; R23-G25 PolarHBondContact O-N 2.71Å; R23-G25 VanDerWaalsContact O-N 3.13Å; R23-K26 HydrophobicContact CB-CB 4.41Å; R23-K26 VanDerWaalsContact O-CB 3.23Å; R23-K26 WeakPolarHBondContact O-CB 3.49Å; R23-K26 VanDerWaalsContact O-CG 3.24Å; R23-K26 WeakPolarHBondContact O-CG 3.31Å; R23-K26 PolarHBondContact O-N 3.3Å; R23-K28 VanDerWaalsContact NH1-CB 3.31Å; R23-K28 VanDerWaalsContact NH1-CD 3.26Å
24	K	86.6	Confident	83.8	Confident	150 Å²	150	83.5 Å²	83.5	65%	0.652	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	43.6	179	-58.6	-175	178.4	-176.1	0	112.4	G18 G21 K26	G18-K24 CarbonylContact O-C 3.56Å; G18-K24 WeakPolarHBondContact O-CA 3.12Å; G21-K24 PolarHBondContact O-N 3.33Å; K24-K26 VanDerWaalsContact C-N 3.34Å; K24-K26 PolarHBondContact O-N 3.01Å
25	G	90	Very high	84.2	Confident	15 Å²	15	85 Å²	85	16%	0.155	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-13.2	-179.7	0	0	0	0	0	116.5	G18 R23 R187	G18-G25 PolarHBondContact O-N 3.06Å; R23-G25 PolarHBondContact O-N 2.71Å; R23-G25 VanDerWaalsContact O-N 3.13Å; G25-R187 PolarHBondContact O-NH1 3.07Å
26	K	94.6	Very high	84.6	Confident	17 Å²	17	85.9 Å²	85.9	7%	0.074	44%	0.435	C	S	.	.			trans	-59.8	140.4	179.7	-61.7	179.3	-172.8	-174.6	0	112.4	R23 K24 W30 A207 T208 T518 C520 E523	R23-K26 HydrophobicContact CB-CB 4.41Å; R23-K26 VanDerWaalsContact O-CB 3.23Å; R23-K26 WeakPolarHBondContact O-CB 3.49Å; R23-K26 VanDerWaalsContact O-CG 3.24Å; R23-K26 WeakPolarHBondContact O-CG 3.31Å; R23-K26 PolarHBondContact O-N 3.3Å; K24-K26 VanDerWaalsContact C-N 3.34Å; K24-K26 PolarHBondContact O-N 3.01Å; K26-W30 HydrophobicContact CB-CB 4.3Å; K26-W30 HydrophobicContact CB-CG 4.08Å; K26-W30 HydrophobicContact CD-CD2 4.05Å; K26-W30 HydrophobicContact CD-CG 4.21Å; K26-W30 HydrophobicContact CD-CZ2 4.43Å; K26-A207 WeakPolarHBondContact CG-O 3.17Å; K26-T208 VanDerWaalsContact CG-O 3.23Å; K26-T208 WeakPolarHBondContact CG-O 3.44Å; K26-T518 WeakPolarHBondContact CE-O 3.39Å; K26-T518 PolarHBondContact NZ-O 3.32Å; K26-C520 PolarHBondContact NZ-SG 3.27Å; K26-E523 IonicContact NZ-OE1 3.67Å; K26-E523 PolarHBondContact NZ-OE1 2.92Å
27	S	94.7	Very high	85.2	Confident	25 Å²	25	84 Å²	84	18%	0.175	43%	0.428	C	S	.	.			trans	-56.3	149.7	170.8	177.4	0	0	0	0	111.7	K29 W30 R206	S27-K29 PolarHBondContact O-N 3.02Å; S27-K29 PolarHBondContact OG-N 3.16Å; S27-W30 WeakPolarHBondContact O-CB 3.49Å; S27-W30 VanDerWaalsContact O-CD1 3.23Å; S27-W30 PolarHBondContact O-N 3.19Å; S27-R206 WeakPolarHBondContact CB-O 3.48Å; S27-R206 PolarHBondContact N-O 2.89Å
28	K	94	Very high	86	Confident	182 Å²	182	77.2 Å²	77.2	79%	0.791	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	174	-47.1	-149.9	165.5	170.1	0	112.8	R23	R23-K28 VanDerWaalsContact NH1-CB 3.31Å; R23-K28 VanDerWaalsContact NH1-CD 3.26Å
29	K	95	Very high	87.4	Confident	130 Å²	130	76.2 Å²	76.2	57%	0.565	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	19.2	-175.9	-63.8	-176.5	167.8	-161.7	0	113.2	S27 K31 E32 I33	S27-K29 PolarHBondContact O-N 3.02Å; S27-K29 PolarHBondContact OG-N 3.16Å; K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.13Å; K29-E32 HydrophobicContact CB-CB 4.43Å; K29-E32 WeakPolarHBondContact CD-OE2 3.5Å; K29-E32 WeakPolarHBondContact CG-OE2 3.46Å; K29-E32 WeakPolarHBondContact O-CA 3.13Å; K29-E32 WeakPolarHBondContact O-CB 3.36Å; K29-E32 PolarHBondContact O-N 3.44Å; K29-I33 WeakPolarHBondContact O-CG1 3.18Å; K29-I33 PolarHBondContact O-N 2.71Å; K29-I33 VanDerWaalsContact O-N 3.07Å
30	W	96.6	Very high	89.1	Confident	23 Å²	23	77.8 Å²	77.8	9%	0.087	39%	0.393	C	S	.	.	H	α-helix	trans	-59.3	-35.9	-171.3	74.7	-91.9	0	0	0	114	K26 S27 E32 I33 L34 A207 C520 E523 L524	K26-W30 HydrophobicContact CB-CB 4.3Å; K26-W30 HydrophobicContact CB-CG 4.08Å; K26-W30 HydrophobicContact CD-CD2 4.05Å; K26-W30 HydrophobicContact CD-CG 4.21Å; K26-W30 HydrophobicContact CD-CZ2 4.43Å; S27-W30 WeakPolarHBondContact O-CB 3.49Å; S27-W30 VanDerWaalsContact O-CD1 3.23Å; S27-W30 PolarHBondContact O-N 3.19Å; W30-E32 VanDerWaalsContact C-N 3.27Å; W30-E32 PolarHBondContact O-N 3.26Å; W30-I33 WeakPolarHBondContact O-CB 3.37Å; W30-I33 PolarHBondContact O-N 2.9Å; W30-I33 VanDerWaalsContact O-N 3.15Å; W30-L34 HydrophobicContact CE3-CD1 4.2Å; W30-L34 PolarHBondContact O-N 3.22Å; W30-A207 WeakPolarHBondContact CB-O 3.46Å; W30-C520 HydrophobicContact CZ3-CB 4.23Å; W30-E523 HydrophobicContact CH2-CB 3.83Å; W30-E523 HydrophobicContact CZ2-CB 4.43Å; W30-E523 VanDerWaalsContact CZ2-OE2 3.23Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.39Å; W30-L524 HydrophobicContact CE3-CD1 4.5Å; W30-L524 HydrophobicContact CH2-CD1 4.49Å; W30-L524 HydrophobicContact CH2-CD2 4.03Å; W30-L524 HydrophobicContact CH2-CG 3.99Å; W30-L524 HydrophobicContact CZ3-CD1 3.69Å; W30-L524 HydrophobicContact CZ3-CD2 3.89Å; W30-L524 HydrophobicContact CZ3-CG 3.68Å
31	K	95.6	Very high	91.2	Very high	112 Å²	112	78.7 Å²	78.7	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-66.3	-26.9	174.1	-63.9	-164.5	174.7	-168	0	113.5	K29 K35 L524	K29-K31 VanDerWaalsContact C-N 3.29Å; K29-K31 PolarHBondContact O-N 3.13Å; K31-K35 WeakPolarHBondContact O-CA 3.38Å; K31-K35 WeakPolarHBondContact O-CB 3.26Å; K31-K35 PolarHBondContact O-N 2.91Å; K31-L524 HydrophobicContact CG-CD2 4.23Å
32	E	95.3	Very high	92.9	Very high	131 Å²	131	76.1 Å²	76.1	61%	0.612	35%	0.35	S	S	*	.	H	α-helix	trans	-75.8	-36.9	172.3	-60.4	176.6	171.9	0	0	110.7	K29 W30	K29-E32 HydrophobicContact CB-CB 4.43Å; K29-E32 WeakPolarHBondContact CD-OE2 3.5Å; K29-E32 WeakPolarHBondContact CG-OE2 3.46Å; K29-E32 WeakPolarHBondContact O-CA 3.13Å; K29-E32 WeakPolarHBondContact O-CB 3.36Å; K29-E32 PolarHBondContact O-N 3.44Å; W30-E32 VanDerWaalsContact C-N 3.27Å; W30-E32 PolarHBondContact O-N 3.26Å
33	I	96.4	Very high	94.3	Very high	90 Å²	90	67.8 Å²	67.8	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-41.9	178.1	-61.6	168.8	0	0	0	110.9	K29 W30 A207	K29-I33 WeakPolarHBondContact O-CG1 3.18Å; K29-I33 PolarHBondContact O-N 2.71Å; K29-I33 VanDerWaalsContact O-N 3.07Å; W30-I33 WeakPolarHBondContact O-CB 3.37Å; W30-I33 PolarHBondContact O-N 2.9Å; W30-I33 VanDerWaalsContact O-N 3.15Å; I33-A207 HydrophobicContact CB-CB 4.42Å; I33-A207 HydrophobicContact CG2-CB 3.96Å
34	L	97.6	Very high	95.2	Very high	14 Å²	14	67.2 Å²	67.2	7%	0.073	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	29.6	-179.3	-61.4	-179.9	0	0	0	112.5	W30 F36 A207 T208 M515 C520 L524	W30-L34 HydrophobicContact CE3-CD1 4.2Å; W30-L34 PolarHBondContact O-N 3.22Å; L34-F36 PolarHBondContact O-N 2.56Å; L34-A207 HydrophobicContact CD1-CB 3.96Å; L34-A207 HydrophobicContact CD2-CB 4.23Å; L34-A207 HydrophobicContact CG-CB 3.93Å; L34-T208 HydrophobicContact CD1-CG2 4.37Å; L34-M515 HydrophobicContact CD1-SD 4Å; L34-C520 HydrophobicContact CD1-CB 4.34Å; L34-L524 HydrophobicContact CB-CD1 3.67Å; L34-L524 HydrophobicContact CD1-CD1 4.28Å
35	K	96.8	Very high	95.6	Very high	158 Å²	158	61.8 Å²	61.8	69%	0.687	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-69.2	126.5	178.3	-174.4	-179.1	176.9	-176.8	0	109.4	K31	K31-K35 WeakPolarHBondContact O-CA 3.38Å; K31-K35 WeakPolarHBondContact O-CB 3.26Å; K31-K35 PolarHBondContact O-N 2.91Å
36	F	97.5	Very high	96	Very high	26 Å²	26	62.9 Å²	62.9	11%	0.114	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-57.6	141.2	175.8	-70.4	-50.7	0	0	0	111.9	L34 Q172 W173 L176 L524	L34-F36 PolarHBondContact O-N 2.56Å; F36-Q172 HydrophobicContact CB-CB 4.39Å; F36-Q172 HydrophobicContact CD1-CB 3.64Å; F36-Q172 HydrophobicContact CE1-CB 4.16Å; F36-Q172 HydrophobicContact CG-CB 4.16Å; F36-W173 AromaticContact CE1-CD2 3.73Å; F36-W173 HydrophobicContact CE1-CD2 3.73Å; F36-W173 AromaticContact CE1-CE2 3.64Å; F36-W173 HydrophobicContact CE1-CE3 4.23Å; F36-W173 HydrophobicContact CE1-CG 4.01Å; F36-W173 HydrophobicContact CE1-CH2 4.47Å; F36-W173 HydrophobicContact CE1-CZ2 4.03Å; F36-W173 AromaticContact CE1-NE1 3.87Å; F36-W173 HydrophobicContact CZ-CD2 4.02Å; F36-W173 AromaticContact CZ-CE2 3.4Å; F36-W173 VanDerWaalsContact CZ-CE2 3.4Å; F36-W173 HydrophobicContact CZ-CG 4.42Å; F36-W173 HydrophobicContact CZ-CH2 4.28Å; F36-W173 AromaticContact CZ-CZ2 3.55Å; F36-W173 HydrophobicContact CZ-CZ2 3.55Å; F36-W173 AromaticContact CZ-NE1 3.51Å; F36-L176 HydrophobicContact CD1-CD1 3.54Å; F36-L176 HydrophobicContact CD1-CG 4.29Å; F36-L176 HydrophobicContact CE1-CD1 3.64Å; F36-L524 HydrophobicContact CE2-CB 4.28Å; F36-L524 WeakPolarHBondContact CE2-O 3.3Å; F36-L524 HydrophobicContact CZ-CB 4.31Å
37	P	96.5	Very high	96	Very high	5 Å²	5	71.5 Å²	71.5	3%	0.032	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-67.8	158.6	166.1	35.2	-38.7	0	0	0	109.6	Q41 Q172 W175	P37-Q41 HydrophobicContact CB-CB 4.07Å; P37-Q172 HydrophobicContact CG-CB 4.38Å; P37-Q172 HydrophobicContact CG-CG 4.31Å; P37-Q172 PolarHBondContact O-NE2 3.07Å; P37-W175 HydrophobicContact CB-CD2 3.84Å; P37-W175 HydrophobicContact CB-CE3 3.91Å; P37-W175 HydrophobicContact CB-CG 4.31Å; P37-W175 HydrophobicContact CB-CH2 4.43Å; P37-W175 HydrophobicContact CB-CZ2 4.35Å; P37-W175 HydrophobicContact CB-CZ3 4.21Å; P37-W175 HydrophobicContact CG-CB 3.91Å; P37-W175 HydrophobicContact CG-CD2 3.56Å; P37-W175 HydrophobicContact CG-CE3 3.61Å; P37-W175 HydrophobicContact CG-CG 3.7Å; P37-W175 HydrophobicContact CG-CZ3 4.34Å
38	H	96.6	Very high	96.1	Very high	14 Å²	14	75.6 Å²	75.6	7%	0.065	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.4	143.2	165.1	-179.4	-97.9	0	0	0	109.2	S40 Q41 D536 N538 H541 P543	H38-S40 WeakPolarHBondContact ND1-CB 3.48Å; H38-S40 PolarHBondContact ND1-N 2.64Å; H38-S40 PolarHBondContact ND1-OG 3.49Å; H38-S40 PolarHBondContact O-N 2.81Å; H38-Q41 WeakPolarHBondContact O-CB 3.45Å; H38-Q41 PolarHBondContact O-N 3.37Å; H38-D536 WeakPolarHBondContact CA-O 3.28Å; H38-N538 PolarHBondContact NE2-O 3.16Å; H38-N538 VanDerWaalsContact NE2-O 3.14Å; H38-H541 PolarHBondContact NE2-O 2.99Å; H38-P543 HydrophobicContact CB-CB 4.32Å; H38-P543 HydrophobicContact CB-CG 3.91Å
39	I	96.1	Very high	96.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-55	-29	-173.2	-170.3	57.9	0	0	0	114.1	Q41 C42 D168 Q172 D536 L537 R539	I39-Q41 PolarHBondContact O-N 2.73Å; I39-C42 HydrophobicContact CD1-CB 4.2Å; I39-C42 WeakPolarHBondContact O-CB 3.28Å; I39-C42 PolarHBondContact O-N 3.28Å; I39-D168 HydrophobicContact CD1-CB 3.65Å; I39-D168 WeakPolarHBondContact CD1-O 3.37Å; I39-D168 HydrophobicContact CG1-CB 4.2Å; I39-Q172 HydrophobicContact CD1-CG 4.4Å; I39-D536 PolarHBondContact N-O 2.96Å; I39-L537 HydrophobicContact CB-CD2 4.48Å; I39-L537 HydrophobicContact CD1-CD2 4.31Å; I39-R539 HydrophobicContact CG2-CG 3.71Å
40	S	95.1	Very high	96.2	Very high	59 Å²	59	67.9 Å²	67.9	41%	0.413	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-62.7	-21.1	175.5	69	0	0	0	0	113.9	H38 C42 E43	H38-S40 WeakPolarHBondContact ND1-CB 3.48Å; H38-S40 PolarHBondContact ND1-N 2.64Å; H38-S40 PolarHBondContact ND1-OG 3.49Å; H38-S40 PolarHBondContact O-N 2.81Å; S40-C42 VanDerWaalsContact C-N 3.26Å; S40-E43 WeakPolarHBondContact O-CG 3.39Å
41	Q	95.8	Very high	96.2	Very high	98 Å²	98	73.8 Å²	73.8	46%	0.458	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-82.5	-6.9	176.1	-55.9	177.5	-101.6	0	0	112.3	P37 H38 I39	P37-Q41 HydrophobicContact CB-CB 4.07Å; H38-Q41 WeakPolarHBondContact O-CB 3.45Å; H38-Q41 PolarHBondContact O-N 3.37Å; I39-Q41 PolarHBondContact O-N 2.73Å
42	C	97.1	Very high	96.3	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-99.5	5.6	178.6	-60.4	0	0	0	0	112.7	I39 S40 D44 L45 R46 L171	I39-C42 HydrophobicContact CD1-CB 4.2Å; I39-C42 WeakPolarHBondContact O-CB 3.28Å; I39-C42 PolarHBondContact O-N 3.28Å; S40-C42 VanDerWaalsContact C-N 3.26Å; C42-D44 PolarHBondContact O-N 3.45Å; C42-L45 WeakPolarHBondContact O-CB 3.36Å; C42-L45 PolarHBondContact O-N 3.46Å; C42-R46 PolarHBondContact O-N 2.93Å; C42-L171 HydrophobicContact CB-CB 4.01Å
43	E	95.1	Very high	96.5	Very high	46 Å²	46	65.1 Å²	65.1	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-39.6	-177	-71.8	-60.9	146.5	0	0	112.9	S40 R46 R47 R539	S40-E43 WeakPolarHBondContact O-CG 3.39Å; E43-R46 WeakPolarHBondContact O-CB 3.23Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-NE 2.68Å; E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.12Å; E43-R47 VanDerWaalsContact O-N 3.17Å; E43-R539 IonicContact OE1-CZ 2.72Å; E43-R539 IonicContact OE1-NH1 3.1Å; E43-R539 PolarHBondContact OE1-NH1 3.17Å; E43-R539 IonicContact OE1-NH2 2.64Å; E43-R539 PolarHBondContact OE1-NH2 3.11Å
44	D	96.1	Very high	96.5	Very high	117 Å²	117	62.9 Å²	62.9	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-63.5	-44.5	174.8	-67.8	-22	0	0	0	110.7	C42 R46 R47 T48	C42-D44 PolarHBondContact O-N 3.45Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 3.05Å; D44-R47 PolarHBondContact O-N 2.92Å; D44-R47 VanDerWaalsContact O-N 3.11Å; D44-T48 WeakPolarHBondContact O-CG2 3.38Å; D44-T48 PolarHBondContact O-N 3.26Å; D44-T48 PolarHBondContact O-OG1 3.15Å; D44-T48 VanDerWaalsContact O-OG1 3.1Å
45	L	96.3	Very high	96.4	Very high	35 Å²	35	64 Å²	64	18%	0.183	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-43.1	175.6	-73.4	170.8	0	0	0	111.7	C42 R47 T48 I49 L171 W175	C42-L45 WeakPolarHBondContact O-CB 3.36Å; C42-L45 PolarHBondContact O-N 3.46Å; L45-R47 PolarHBondContact O-N 3.03Å; L45-T48 PolarHBondContact O-N 3.07Å; L45-T48 PolarHBondContact O-OG1 3.34Å; L45-I49 VanDerWaalsContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CB 3.25Å; L45-I49 WeakPolarHBondContact O-CG2 3.22Å; L45-I49 PolarHBondContact O-N 2.85Å; L45-L171 HydrophobicContact CB-CD2 4.42Å; L45-W175 HydrophobicContact CD1-CB 3.55Å; L45-W175 HydrophobicContact CD1-CG 4.04Å
46	R	96.8	Very high	96.5	Very high	39 Å²	39	56.6 Å²	56.6	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-35.8	176.9	-172	-177.6	-60.6	-88.5	-3.5	112.3	C42 E43 D44 D168 L171	C42-R46 PolarHBondContact O-N 2.93Å; E43-R46 WeakPolarHBondContact O-CB 3.23Å; E43-R46 PolarHBondContact O-N 2.66Å; E43-R46 IonicContact OE1-NE 2.68Å; D44-R46 VanDerWaalsContact C-N 3.33Å; D44-R46 PolarHBondContact O-N 3.05Å; R46-D168 IonicContact CZ-OD1 2.87Å; R46-D168 IonicContact NH1-OD1 2.78Å; R46-D168 PolarHBondContact NH1-OD1 2.77Å; R46-D168 VanDerWaalsContact NH2-CG 3.27Å; R46-D168 IonicContact NH2-OD1 3.98Å; R46-D168 PolarHBondContact NH2-OD1 2.75Å; R46-D168 IonicContact NH2-OD2 2.63Å; R46-L171 HydrophobicContact CB-CD1 3.79Å; R46-L171 HydrophobicContact CG-CD1 4Å; R46-L171 VanDerWaalsContact CZ-CD1 3.47Å
47	R	96.2	Very high	96.5	Very high	198 Å²	198	55.6 Å²	55.6	75%	0.747	28%	0.277	S	S	*	.	H	α-helix	trans	-78.8	-36.8	179.9	-67.4	172.8	-175	-163.7	0.4	112.7	E43 D44 L45	E43-R47 WeakPolarHBondContact O-CG 3.28Å; E43-R47 PolarHBondContact O-N 3.12Å; E43-R47 VanDerWaalsContact O-N 3.17Å; D44-R47 PolarHBondContact O-N 2.92Å; D44-R47 VanDerWaalsContact O-N 3.11Å; L45-R47 PolarHBondContact O-N 3.03Å
48	T	96	Very high	96.3	Very high	110 Å²	110	58.5 Å²	58.5	68%	0.675	29%	0.293	S	S	*	.	H	α-helix	trans	-92.8	-17.1	-172.6	59.1	0	0	0	0	114.4	D44 L45	D44-T48 WeakPolarHBondContact O-CG2 3.38Å; D44-T48 PolarHBondContact O-N 3.26Å; D44-T48 PolarHBondContact O-OG1 3.15Å; D44-T48 VanDerWaalsContact O-OG1 3.1Å; L45-T48 PolarHBondContact O-N 3.07Å; L45-T48 PolarHBondContact O-OG1 3.34Å
49	I	95.9	Very high	96.3	Very high	27 Å²	27	64.4 Å²	64.4	14%	0.138	32%	0.318	C	S	.	.	S	Bend	trans	-71.4	134.2	-177.5	-160.6	162.6	0	0	0	110.7	L45 L56 F167 F170 L171 K174	L45-I49 VanDerWaalsContact O-CB 3.26Å; L45-I49 WeakPolarHBondContact O-CB 3.25Å; L45-I49 WeakPolarHBondContact O-CG2 3.22Å; L45-I49 PolarHBondContact O-N 2.85Å; I49-L56 HydrophobicContact CD1-CD2 3.95Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; I49-F167 HydrophobicContact CG2-CZ 4.08Å; I49-F170 HydrophobicContact CD1-CD1 4.48Å; I49-F170 HydrophobicContact CD1-CE1 3.58Å; I49-F170 HydrophobicContact CD1-CZ 4.37Å; I49-L171 HydrophobicContact CD1-CD2 4.28Å; I49-L171 HydrophobicContact CG2-CD2 4.28Å; I49-K174 HydrophobicContact CD1-CG 4.22Å
50	D	96	Very high	96.3	Very high	123 Å²	123	64.9 Å²	64.9	66%	0.658	32%	0.321	S	S	*	.			trans	-70.3	130.6	174.7	-169.9	12	0	0	0	110.2	D52 L56	D50-D52 PolarHBondContact O-N 3.02Å; D50-D52 VanDerWaalsContact O-N 3.16Å; D50-L56 WeakPolarHBondContact O-CD1 3.41Å
51	R	96.3	Very high	96.5	Very high	148 Å²	148	63 Å²	63	56%	0.558	31%	0.307	S	S	*	.			trans	-92	53.1	-175.2	-63.2	-178.2	-178.4	-161.9	-0.1	110.5	F158 L162	R51-F158 WeakPolarHBondContact O-CE1 3.36Å; R51-L162 HydrophobicContact CB-CD1 4.38Å; R51-L162 HydrophobicContact CG-CD1 4.42Å
52	D	97.8	Very high	96.6	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.283	29%	0.285	S	S	.	.			trans	-94.1	120.4	177	175.6	-116.9	0	0	0	110.9	D50 C54 S55 L56	D50-D52 PolarHBondContact O-N 3.02Å; D50-D52 VanDerWaalsContact O-N 3.16Å; D52-C54 PolarHBondContact O-N 3.41Å; D52-C54 PolarHBondContact OD1-N 3.4Å; D52-S55 PolarHBondContact O-N 2.86Å; D52-S55 WeakPolarHBondContact OD1-CB 3.48Å; D52-S55 PolarHBondContact OD1-N 2.9Å; D52-L56 WeakPolarHBondContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CG 3.48Å; D52-L56 PolarHBondContact O-N 3.38Å
53	Y	98	Very high	96.7	Very high	8 Å²	8	58.3 Å²	58.3	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-46.8	179.8	168.9	-100.4	0	0	0	112.1	S55 L56 C57 F67 H150 L153 R154 F158	Y53-S55 VanDerWaalsContact C-N 3.31Å; Y53-S55 PolarHBondContact O-N 2.98Å; Y53-L56 PolarHBondContact O-N 3.03Å; Y53-C57 HydrophobicContact CD2-CB 3.76Å; Y53-C57 HydrophobicContact CE2-CB 3.66Å; Y53-C57 WeakPolarHBondContact O-CB 3.41Å; Y53-C57 PolarHBondContact O-N 3.41Å; Y53-F67 AromaticContact CE2-CE1 3.89Å; Y53-F67 HydrophobicContact CE2-CE1 3.89Å; Y53-F67 AromaticContact CE2-CZ 3.91Å; Y53-F67 HydrophobicContact CE2-CZ 3.91Å; Y53-H150 HydrophobicContact CE1-CB 4.18Å; Y53-H150 AromaticContact CE1-ND1 3.58Å; Y53-H150 AromaticContact CZ-ND1 3.85Å; Y53-H150 PolarHBondContact OH-ND1 2.93Å; Y53-L153 HydrophobicContact CE2-CB 3.99Å; Y53-L153 VanDerWaalsContact OH-CB 3.23Å; Y53-L153 WeakPolarHBondContact OH-CB 3.48Å; Y53-R154 HydrophobicContact CD1-CB 3.49Å; Y53-R154 VanDerWaalsContact CD1-CB 3.49Å; Y53-R154 HydrophobicContact CD2-CB 3.95Å; Y53-R154 HydrophobicContact CE1-CB 4.06Å; Y53-R154 HydrophobicContact CE2-CB 4.48Å; Y53-R154 HydrophobicContact CG-CB 3.41Å; Y53-R154 VanDerWaalsContact CG-CB 3.41Å; Y53-F158 HydrophobicContact CD2-CB 3.98Å; Y53-F158 AromaticContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CE2 4.47Å; Y53-F158 AromaticContact CD2-CG 3.88Å; Y53-F158 HydrophobicContact CD2-CG 3.88Å
54	C	96.3	Very high	96.9	Very high	42 Å²	42	60.4 Å²	60.4	28%	0.284	29%	0.291	S	S	.	.	I	π-helix	trans	-63.8	-40.2	-176.6	-61.6	0	0	0	0	111	D52 D58 K59	D52-C54 PolarHBondContact O-N 3.41Å; D52-C54 PolarHBondContact OD1-N 3.4Å; C54-D58 WeakPolarHBondContact O-CB 3.32Å; C54-D58 PolarHBondContact O-N 3.17Å; C54-K59 WeakPolarHBondContact O-CB 3.39Å; C54-K59 WeakPolarHBondContact O-CG 3.21Å; C54-K59 PolarHBondContact O-N 2.89Å
55	S	96.6	Very high	97	Very high	39 Å²	39	57.4 Å²	57.4	27%	0.273	27%	0.274	S	S	.	.	I	π-helix	trans	-67.2	-47.7	175.6	-179.4	0	0	0	0	112.4	D52 Y53 Q60	D52-S55 PolarHBondContact O-N 2.86Å; D52-S55 WeakPolarHBondContact OD1-CB 3.48Å; D52-S55 PolarHBondContact OD1-N 2.9Å; Y53-S55 VanDerWaalsContact C-N 3.31Å; Y53-S55 PolarHBondContact O-N 2.98Å; S55-Q60 VanDerWaalsContact O-CB 3.25Å; S55-Q60 WeakPolarHBondContact O-CB 3.23Å; S55-Q60 VanDerWaalsContact O-CG 3.24Å; S55-Q60 WeakPolarHBondContact O-CG 3.37Å; S55-Q60 PolarHBondContact O-N 3.2Å; S55-Q60 PolarHBondContact O-NE2 3.32Å; S55-Q60 VanDerWaalsContact O-NE2 3.09Å; S55-Q60 PolarHBondContact OG-NE2 2.48Å
56	L	97.9	Very high	97.1	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.266	C	S	.	.	I	π-helix	trans	-84.1	-35.9	-170	-67.1	178.3	0	0	0	113.9	I49 D50 D52 Y53 G63 F158 L162 F167 F170	I49-L56 HydrophobicContact CD1-CD2 3.95Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; D50-L56 WeakPolarHBondContact O-CD1 3.41Å; D52-L56 WeakPolarHBondContact O-CB 3.31Å; D52-L56 WeakPolarHBondContact O-CG 3.48Å; D52-L56 PolarHBondContact O-N 3.38Å; Y53-L56 PolarHBondContact O-N 3.03Å; L56-G63 CarbonylContact O-C 3.43Å; L56-G63 WeakPolarHBondContact O-CA 3.34Å; L56-F158 HydrophobicContact CB-CE2 4.38Å; L56-F158 HydrophobicContact CD1-CE2 4.25Å; L56-F158 HydrophobicContact CD1-CZ 4.01Å; L56-L162 HydrophobicContact CD1-CD2 4.27Å; L56-F167 HydrophobicContact CD1-CE2 4.11Å; L56-F170 HydrophobicContact CD2-CD1 4.48Å; L56-F170 HydrophobicContact CD2-CE1 3.46Å; L56-F170 VanDerWaalsContact CD2-CE1 3.46Å; L56-F170 HydrophobicContact CD2-CZ 3.55Å
57	C	97.9	Very high	97.2	Very high	5 Å²	5	54 Å²	54	3%	0.034	26%	0.259	C	S	.	.	I	π-helix	trans	-110.9	-7.4	-169.3	-57.3	0	0	0	0	113.6	Y53 R64 F67 F158	Y53-C57 HydrophobicContact CD2-CB 3.76Å; Y53-C57 HydrophobicContact CE2-CB 3.66Å; Y53-C57 WeakPolarHBondContact O-CB 3.41Å; Y53-C57 PolarHBondContact O-N 3.41Å; C57-R64 VanDerWaalsContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CA 3.18Å; C57-R64 WeakPolarHBondContact O-CB 3.44Å; C57-R64 WeakPolarHBondContact O-CG 3.4Å; C57-F67 HydrophobicContact CB-CB 3.96Å; C57-F67 HydrophobicContact CB-CD1 3.79Å; C57-F67 HydrophobicContact CB-CD2 4.23Å; C57-F67 HydrophobicContact CB-CE1 4.34Å; C57-F67 HydrophobicContact CB-CG 3.72Å; C57-F158 VanDerWaalsContact SG-CD2 3.51Å; C57-F158 VanDerWaalsContact SG-CE2 3.52Å
58	D	93.5	Very high	97.2	Very high	67 Å²	67	45.9 Å²	45.9	36%	0.358	23%	0.229	S	C	.	.	I	π-helix	trans	-126.1	-66	-178.8	-175	29.4	0	0	0	111.8	C54 Q60	C54-D58 WeakPolarHBondContact O-CB 3.32Å; C54-D58 PolarHBondContact O-N 3.17Å; D58-Q60 PolarHBondContact O-N 3.24Å
59	K	94.8	Very high	97.2	Very high	138 Å²	138	43.3 Å²	43.3	60%	0.6	21%	0.209	S	C	*	.	I	π-helix	trans	-65.6	-37.6	-175.2	-68.5	-177.6	178.1	-178.3	0	114.1	C54 P61 I509	C54-K59 WeakPolarHBondContact O-CB 3.39Å; C54-K59 WeakPolarHBondContact O-CG 3.21Å; C54-K59 PolarHBondContact O-N 2.89Å; K59-P61 WeakPolarHBondContact O-CD 3.47Å; K59-I509 HydrophobicContact CB-CD1 4.48Å
60	Q	97.9	Very high	97.3	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.047	20%	0.203	C	C	.	.	S	Bend	trans	-83.9	114.2	179.7	-80.2	-180	82.8	0	0	110.8	S55 D58 I62 G63 R64 S508	S55-Q60 VanDerWaalsContact O-CB 3.25Å; S55-Q60 WeakPolarHBondContact O-CB 3.23Å; S55-Q60 VanDerWaalsContact O-CG 3.24Å; S55-Q60 WeakPolarHBondContact O-CG 3.37Å; S55-Q60 PolarHBondContact O-N 3.2Å; S55-Q60 PolarHBondContact O-NE2 3.32Å; S55-Q60 VanDerWaalsContact O-NE2 3.09Å; S55-Q60 PolarHBondContact OG-NE2 2.48Å; D58-Q60 PolarHBondContact O-N 3.24Å; Q60-I62 PolarHBondContact O-N 3.06Å; Q60-G63 PolarHBondContact O-N 3.47Å; Q60-G63 VanDerWaalsContact O-N 3.07Å; Q60-R64 PolarHBondContact O-N 2.69Å; Q60-S508 PolarHBondContact OE1-OG 3.26Å
61	P	98.2	Very high	97.3	Very high	19 Å²	19	36.3 Å²	36.3	12%	0.123	17%	0.172	C	C	.	.	H	α-helix	trans	-56.4	-45.7	-171.8	-27.2	33.9	0	0	0	114.9	K59 L65 I509 Q512 N513 I516	K59-P61 WeakPolarHBondContact O-CD 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.2Å; P61-L65 PolarHBondContact O-N 2.85Å; P61-I509 HydrophobicContact CG-CG2 4.03Å; P61-Q512 HydrophobicContact CB-CB 4.1Å; P61-Q512 HydrophobicContact CG-CB 4.09Å; P61-N513 VanDerWaalsContact CB-OD1 3.32Å; P61-N513 WeakPolarHBondContact CB-OD1 3.4Å; P61-N513 WeakPolarHBondContact CG-OD1 3.34Å; P61-I516 HydrophobicContact CB-CD1 3.51Å
62	I	98.8	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-69.4	-38.4	178.4	-76.2	179.3	0	0	0	110.7	Q60 L65 L66 F170 W173 W511 Q512 M515 I516 F521	Q60-I62 PolarHBondContact O-N 3.06Å; I62-L65 PolarHBondContact O-N 2.96Å; I62-L66 HydrophobicContact CG2-CD1 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.37Å; I62-L66 WeakPolarHBondContact O-CB 3.21Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.3Å; I62-F170 HydrophobicContact CG2-CD2 4.37Å; I62-W173 HydrophobicContact CD1-CD2 3.82Å; I62-W173 HydrophobicContact CD1-CE3 3.72Å; I62-W173 HydrophobicContact CD1-CG 4.19Å; I62-W173 HydrophobicContact CD1-CZ3 4.25Å; I62-W173 HydrophobicContact CG2-CB 4.01Å; I62-W173 HydrophobicContact CG2-CD2 4.41Å; I62-W173 HydrophobicContact CG2-CG 3.82Å; I62-W511 HydrophobicContact CD1-CZ3 4.26Å; I62-Q512 HydrophobicContact CB-CB 4.33Å; I62-Q512 HydrophobicContact CB-CG 4.14Å; I62-Q512 HydrophobicContact CD1-CB 4.1Å; I62-Q512 HydrophobicContact CD1-CG 3.99Å; I62-Q512 HydrophobicContact CG1-CB 3.93Å; I62-Q512 HydrophobicContact CG1-CG 4.09Å; I62-M515 HydrophobicContact CD1-CB 4.04Å; I62-M515 HydrophobicContact CD1-CG 4.41Å; I62-I516 HydrophobicContact CG1-CD1 4.07Å; I62-I516 HydrophobicContact CG1-CG1 4.16Å; I62-F521 HydrophobicContact CB-CE2 4.4Å; I62-F521 HydrophobicContact CD1-CD2 3.88Å; I62-F521 HydrophobicContact CG1-CD2 3.79Å; I62-F521 HydrophobicContact CG1-CE2 4.12Å; I62-F521 HydrophobicContact CG1-CG 4.46Å; I62-F521 HydrophobicContact CG2-CD2 4.19Å; I62-F521 HydrophobicContact CG2-CE2 3.77Å
63	G	98.6	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-43.5	177	0	0	0	0	0	112.3	L56 Q60 L65 L66 F67	L56-G63 CarbonylContact O-C 3.43Å; L56-G63 WeakPolarHBondContact O-CA 3.34Å; Q60-G63 PolarHBondContact O-N 3.47Å; Q60-G63 VanDerWaalsContact O-N 3.07Å; G63-L65 PolarHBondContact O-N 2.8Å; G63-L66 PolarHBondContact O-N 3.01Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.29Å
64	R	98.4	Very high	96.8	Very high	90 Å²	90	38.6 Å²	38.6	34%	0.34	19%	0.19	S	C	.	.	H	α-helix	trans	-57.9	-44.7	171.2	-178.7	176.9	-180	-90.2	5.6	112.4	C57 Q60 R68	C57-R64 VanDerWaalsContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CA 3.18Å; C57-R64 WeakPolarHBondContact O-CB 3.44Å; C57-R64 WeakPolarHBondContact O-CG 3.4Å; Q60-R64 PolarHBondContact O-N 2.69Å; R64-R68 WeakPolarHBondContact O-CB 3.42Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.2Å; R64-R68 PolarHBondContact O-N 2.98Å
65	L	98.4	Very high	96.3	Very high	53 Å²	53	41.8 Å²	41.8	28%	0.277	21%	0.21	S	C	.	.	H	α-helix	trans	-64.1	-43.5	176.8	-72.7	176.5	0	0	0	112.3	P61 I62 G63 R68 Q69 I516 F521	P61-L65 WeakPolarHBondContact O-CG 3.2Å; P61-L65 PolarHBondContact O-N 2.85Å; I62-L65 PolarHBondContact O-N 2.96Å; G63-L65 PolarHBondContact O-N 2.8Å; L65-R68 PolarHBondContact O-N 2.98Å; L65-Q69 WeakPolarHBondContact O-CG 3.26Å; L65-Q69 PolarHBondContact O-N 2.79Å; L65-I516 HydrophobicContact CD1-CD1 3.52Å; L65-I516 HydrophobicContact CD1-CG1 3.8Å; L65-I516 HydrophobicContact CD1-CG2 4.45Å; L65-F521 HydrophobicContact CB-CE1 4.18Å; L65-F521 HydrophobicContact CB-CZ 4.09Å; L65-F521 HydrophobicContact CD1-CD1 3.98Å; L65-F521 HydrophobicContact CD1-CE1 3.72Å; L65-F521 HydrophobicContact CD1-CZ 4.26Å
66	L	98.6	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.4	-37.1	179.4	-73.3	166.3	0	0	0	112.3	I62 G63 R68 Q69 F70 Y161 Y166 R169 F170 F521 F527	I62-L66 HydrophobicContact CG2-CD1 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.37Å; I62-L66 WeakPolarHBondContact O-CB 3.21Å; I62-L66 WeakPolarHBondContact O-CG 3.41Å; I62-L66 PolarHBondContact O-N 3.3Å; G63-L66 PolarHBondContact O-N 3.01Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-Q69 PolarHBondContact O-N 3.28Å; L66-F70 WeakPolarHBondContact O-CB 3.49Å; L66-F70 PolarHBondContact O-N 2.96Å; L66-Y161 HydrophobicContact CB-CE2 4.43Å; L66-Y166 HydrophobicContact CD2-CD1 4.44Å; L66-R169 HydrophobicContact CD1-CG 4.31Å; L66-R169 HydrophobicContact CD2-CB 4.33Å; L66-R169 HydrophobicContact CD2-CG 3.86Å; L66-F170 VanDerWaalsContact CD1-CA 3.49Å; L66-F170 HydrophobicContact CD1-CB 3.61Å; L66-F170 HydrophobicContact CD1-CD2 4.26Å; L66-F170 HydrophobicContact CD1-CG 4.45Å; L66-F521 HydrophobicContact CD2-CZ 4.38Å; L66-F521 HydrophobicContact CG-CE2 4.41Å; L66-F521 HydrophobicContact CG-CZ 4.33Å; L66-F527 HydrophobicContact CD2-CZ 4.41Å
67	F	98.5	Very high	95.8	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.013	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-40.8	172.6	-175.7	-111.6	0	0	0	111.5	Y53 C57 G63 F70 C71 L153 Y161	Y53-F67 AromaticContact CE2-CE1 3.89Å; Y53-F67 HydrophobicContact CE2-CE1 3.89Å; Y53-F67 AromaticContact CE2-CZ 3.91Å; Y53-F67 HydrophobicContact CE2-CZ 3.91Å; C57-F67 HydrophobicContact CB-CB 3.96Å; C57-F67 HydrophobicContact CB-CD1 3.79Å; C57-F67 HydrophobicContact CB-CD2 4.23Å; C57-F67 HydrophobicContact CB-CE1 4.34Å; C57-F67 HydrophobicContact CB-CG 3.72Å; G63-F67 WeakPolarHBondContact O-CB 3.34Å; G63-F67 PolarHBondContact O-N 3.29Å; F67-F70 HydrophobicContact CD2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CE1 4.23Å; F67-F70 WeakPolarHBondContact O-CB 3.41Å; F67-F70 PolarHBondContact O-N 3.38Å; F67-C71 PolarHBondContact O-N 2.62Å; F67-C71 PolarHBondContact O-SG 2.77Å; F67-L153 HydrophobicContact CE1-CB 4.47Å; F67-L153 HydrophobicContact CE1-CD1 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.36Å; F67-L153 HydrophobicContact CZ-CD2 4.43Å; F67-Y161 HydrophobicContact CB-CE2 4.33Å; F67-Y161 AromaticContact CD2-CD1 3.89Å; F67-Y161 HydrophobicContact CD2-CD1 3.89Å; F67-Y161 AromaticContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CE1 4.43Å; F67-Y161 HydrophobicContact CD2-CE2 4.45Å; F67-Y161 AromaticContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CE2-CG 4.15Å
68	R	97.4	Very high	95.7	Very high	28 Å²	28	45.8 Å²	45.8	11%	0.106	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-46.8	174.6	-75.4	170.8	167.1	-101.9	-2.9	112.6	R64 L65 L66 F70 C71 E72 I81 D85	R64-R68 WeakPolarHBondContact O-CB 3.42Å; R64-R68 VanDerWaalsContact O-CG 3.24Å; R64-R68 WeakPolarHBondContact O-CG 3.2Å; R64-R68 PolarHBondContact O-N 2.98Å; L65-R68 PolarHBondContact O-N 2.98Å; L66-R68 VanDerWaalsContact C-N 3.34Å; R68-F70 PolarHBondContact O-N 3.21Å; R68-C71 PolarHBondContact O-N 3.09Å; R68-E72 VanDerWaalsContact O-CG 3.3Å; R68-E72 WeakPolarHBondContact O-CG 3.38Å; R68-E72 PolarHBondContact O-N 3.32Å; R68-I81 HydrophobicContact CG-CD1 4.39Å; R68-I81 HydrophobicContact CG-CG2 3.97Å; R68-D85 IonicContact CZ-OD1 3.61Å; R68-D85 IonicContact CZ-OD2 3.2Å; R68-D85 IonicContact NH1-OD1 3.7Å; R68-D85 PolarHBondContact NH1-OD1 3.25Å; R68-D85 IonicContact NH1-OD2 2.61Å; R68-D85 PolarHBondContact NH1-OD2 3.41Å; R68-D85 IonicContact NH2-OD1 2.79Å; R68-D85 PolarHBondContact NH2-OD1 2.81Å
69	Q	96.3	Very high	95.8	Very high	56 Å²	56	43.3 Å²	43.3	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-55.8	-39.8	173.9	-74.4	-178.7	-14.9	0	0	111.9	L65 L66 T73 Y166 N525	L65-Q69 WeakPolarHBondContact O-CG 3.26Å; L65-Q69 PolarHBondContact O-N 2.79Å; L66-Q69 PolarHBondContact O-N 3.28Å; Q69-T73 WeakPolarHBondContact O-CG2 3.43Å; Q69-T73 PolarHBondContact O-N 3.2Å; Q69-Y166 HydrophobicContact CB-CD1 3.97Å; Q69-Y166 HydrophobicContact CB-CE1 3.78Å; Q69-N525 PolarHBondContact OE1-ND2 2.61Å
70	F	97.1	Very high	95.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-48.7	173.5	162.3	-95.1	0	0	0	112.3	L66 F67 R68 E72 T73 L77 P157 E160 Y161 Y166	L66-F70 WeakPolarHBondContact O-CB 3.49Å; L66-F70 PolarHBondContact O-N 2.96Å; F67-F70 HydrophobicContact CD2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CD1 4.18Å; F67-F70 HydrophobicContact CE2-CE1 4.23Å; F67-F70 WeakPolarHBondContact O-CB 3.41Å; F67-F70 PolarHBondContact O-N 3.38Å; R68-F70 PolarHBondContact O-N 3.21Å; F70-E72 VanDerWaalsContact C-N 3.33Å; F70-E72 PolarHBondContact O-N 3.02Å; F70-T73 PolarHBondContact O-N 2.79Å; F70-T73 PolarHBondContact O-OG1 3.14Å; F70-L77 HydrophobicContact CE1-CD1 3.99Å; F70-P157 WeakPolarHBondContact CE1-O 3.38Å; F70-E160 VanDerWaalsContact CZ-C 3.44Å; F70-E160 HydrophobicContact CZ-CB 3.8Å; F70-Y161 HydrophobicContact CB-CD2 4.01Å; F70-Y161 HydrophobicContact CD1-CD2 4.2Å; F70-Y161 HydrophobicContact CD1-CG 4.48Å; F70-Y161 HydrophobicContact CD2-CD2 4.39Å; F70-Y161 AromaticContact CG-CD2 3.97Å; F70-Y161 HydrophobicContact CG-CD2 3.97Å; F70-Y166 HydrophobicContact CB-CD1 4.49Å; F70-Y166 HydrophobicContact CB-CD2 3.71Å; F70-Y166 HydrophobicContact CB-CE2 4.22Å; F70-Y166 HydrophobicContact CB-CG 3.86Å; F70-Y166 AromaticContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CE2 4.39Å; F70-Y166 HydrophobicContact CG-CD2 4.32Å
71	C	97	Very high	95.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-38.4	177.6	-69.3	0	0	0	0	112.7	F67 R68 T73 R74 L77 I81	F67-C71 PolarHBondContact O-N 2.62Å; F67-C71 PolarHBondContact O-SG 2.77Å; R68-C71 PolarHBondContact O-N 3.09Å; C71-T73 PolarHBondContact O-N 3.19Å; C71-R74 CarbonylContact O-C 3.55Å; C71-R74 PolarHBondContact O-N 3.06Å; C71-L77 HydrophobicContact CB-CB 3.88Å; C71-I81 HydrophobicContact CB-CD1 4.21Å; C71-I81 HydrophobicContact CB-CG1 3.64Å
72	E	93.8	Very high	95.7	Very high	108 Å²	108	39.1 Å²	39.1	51%	0.505	21%	0.205	S	C	.	.	H	α-helix	trans	-62.2	-24.3	178	-73	163.2	-162	0	0	113.1	R68 F70 R74	R68-E72 VanDerWaalsContact O-CG 3.3Å; R68-E72 WeakPolarHBondContact O-CG 3.38Å; R68-E72 PolarHBondContact O-N 3.32Å; F70-E72 VanDerWaalsContact C-N 3.33Å; F70-E72 PolarHBondContact O-N 3.02Å; E72-R74 PolarHBondContact O-N 3.23Å
73	T	93	Very high	95.6	Very high	76 Å²	76	39.1 Å²	39.1	47%	0.466	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.9	173.5	67.3	0	0	0	0	113.8	Q69 F70 C71 Y166	Q69-T73 WeakPolarHBondContact O-CG2 3.43Å; Q69-T73 PolarHBondContact O-N 3.2Å; F70-T73 PolarHBondContact O-N 2.79Å; F70-T73 PolarHBondContact O-OG1 3.14Å; C71-T73 PolarHBondContact O-N 3.19Å; T73-Y166 HydrophobicContact CG2-CE2 4.35Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.49Å
74	R	93.3	Very high	95.5	Very high	74 Å²	74	40.1 Å²	40.1	28%	0.279	21%	0.21	S	C	.	.			trans	-131.4	106.3	-171.9	-66.7	162.7	179.9	-163.2	-4.1	109	C71 E72 G76 L77 E78 E160	C71-R74 CarbonylContact O-C 3.55Å; C71-R74 PolarHBondContact O-N 3.06Å; E72-R74 PolarHBondContact O-N 3.23Å; R74-G76 PolarHBondContact O-N 2.85Å; R74-L77 HydrophobicContact CB-CB 4.26Å; R74-L77 HydrophobicContact CB-CD1 4.33Å; R74-L77 HydrophobicContact CB-CG 4.23Å; R74-L77 PolarHBondContact O-N 3.41Å; R74-E78 PolarHBondContact O-N 2.91Å; R74-E160 IonicContact CZ-OE2 3.56Å; R74-E160 IonicContact NH1-OE2 2.71Å; R74-E160 PolarHBondContact NH1-OE2 2.94Å; R74-E160 IonicContact NH2-OE2 3.45Å
75	P	86	Confident	95.4	Very high	109 Å²	109	38.4 Å²	38.4	71%	0.708	21%	0.208	S	C	*	.	H	α-helix	trans	-53.6	-32.1	-179.6	-29	35.6	0	0	0	113.5	L77	P75-L77 VanDerWaalsContact C-N 3.3Å; P75-L77 PolarHBondContact O-N 3.27Å
76	G	89.3	Confident	95.4	Very high	49 Å²	49	36.2 Å²	36.2	51%	0.505	20%	0.197	S	C	.	.	H	α-helix	trans	-71.7	-14	176.5	0	0	0	0	0	115.4	R74 Y80	R74-G76 PolarHBondContact O-N 2.85Å; G76-Y80 WeakPolarHBondContact O-CD2 3.33Å; G76-Y80 WeakPolarHBondContact O-CE2 3.31Å
77	L	95.4	Very high	95.3	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.047	20%	0.198	C	C	.	.	H	α-helix	trans	-107.4	-29.6	175	-63.3	-177	0	0	0	112.2	F70 C71 R74 P75 C79 Y80 I81 Y152 P157	F70-L77 HydrophobicContact CE1-CD1 3.99Å; C71-L77 HydrophobicContact CB-CB 3.88Å; R74-L77 HydrophobicContact CB-CB 4.26Å; R74-L77 HydrophobicContact CB-CD1 4.33Å; R74-L77 HydrophobicContact CB-CG 4.23Å; R74-L77 PolarHBondContact O-N 3.41Å; P75-L77 VanDerWaalsContact C-N 3.3Å; P75-L77 PolarHBondContact O-N 3.27Å; L77-C79 VanDerWaalsContact C-N 3.29Å; L77-C79 PolarHBondContact O-N 3.13Å; L77-Y80 WeakPolarHBondContact O-CB 3.44Å; L77-Y80 PolarHBondContact O-N 3.42Å; L77-Y80 VanDerWaalsContact O-N 3.15Å; L77-I81 PolarHBondContact O-N 3.45Å; L77-Y152 HydrophobicContact CD2-CE1 4.13Å; L77-P157 HydrophobicContact CD1-CB 4.03Å; L77-P157 HydrophobicContact CD2-CB 3.87Å; L77-P157 HydrophobicContact CD2-CG 3.73Å
78	E	95	Very high	95.1	Very high	70 Å²	70	38.7 Å²	38.7	33%	0.327	22%	0.218	S	C	.	.	H	α-helix	trans	-54.9	-41.8	-178.5	-168.8	-172.3	171	0	0	112.8	R74 Y80 I81 Q82	R74-E78 PolarHBondContact O-N 2.91Å; E78-Y80 VanDerWaalsContact C-N 3.26Å; E78-Y80 PolarHBondContact O-N 3.05Å; E78-I81 PolarHBondContact O-N 3.14Å; E78-I81 VanDerWaalsContact O-N 3.09Å; E78-Q82 HydrophobicContact CG-CG 4.39Å; E78-Q82 WeakPolarHBondContact O-CG 3.44Å; E78-Q82 PolarHBondContact O-N 2.65Å; E78-Q82 PolarHBondContact OE1-NE2 2.84Å
79	C	95.3	Very high	95	Very high	15 Å²	15	42.1 Å²	42.1	10%	0.101	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-32	-179.5	57.2	0	0	0	0	113.5	L77 F83 V116 I118	L77-C79 VanDerWaalsContact C-N 3.29Å; L77-C79 PolarHBondContact O-N 3.13Å; C79-F83 WeakPolarHBondContact O-CB 3.38Å; C79-F83 PolarHBondContact O-N 3.26Å; C79-V116 HydrophobicContact CB-CB 4.09Å; C79-I118 HydrophobicContact CB-CG2 4.17Å
80	Y	96.6	Very high	95	Very high	14 Å²	14	39.4 Å²	39.4	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-70.3	-39	176.1	-63.4	-88.2	0	0	0	111.7	G76 L77 E78 F83 L84 I118 Q120 V149 Y152	G76-Y80 WeakPolarHBondContact O-CD2 3.33Å; G76-Y80 WeakPolarHBondContact O-CE2 3.31Å; L77-Y80 WeakPolarHBondContact O-CB 3.44Å; L77-Y80 PolarHBondContact O-N 3.42Å; L77-Y80 VanDerWaalsContact O-N 3.15Å; E78-Y80 VanDerWaalsContact C-N 3.26Å; E78-Y80 PolarHBondContact O-N 3.05Å; Y80-F83 PolarHBondContact O-N 3.26Å; Y80-L84 WeakPolarHBondContact O-CG 3.32Å; Y80-L84 PolarHBondContact O-N 2.86Å; Y80-L84 VanDerWaalsContact O-N 3.08Å; Y80-I118 HydrophobicContact CD1-CB 3.98Å; Y80-I118 HydrophobicContact CD1-CG2 3.7Å; Y80-I118 HydrophobicContact CD2-CG2 4.35Å; Y80-I118 HydrophobicContact CE1-CB 3.68Å; Y80-I118 HydrophobicContact CE1-CG2 3.78Å; Y80-I118 HydrophobicContact CE2-CG2 4.4Å; Y80-I118 HydrophobicContact CG-CG2 4.02Å; Y80-Q120 HydrophobicContact CE1-CB 3.97Å; Y80-Q120 HydrophobicContact CE1-CG 3.87Å; Y80-Q120 VanDerWaalsContact OH-CG 3.25Å; Y80-Q120 WeakPolarHBondContact OH-CG 3.15Å; Y80-V149 HydrophobicContact CD1-CG1 3.93Å; Y80-V149 HydrophobicContact CD1-CG2 4.21Å; Y80-V149 HydrophobicContact CG-CG1 4.41Å; Y80-Y152 AromaticContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CE1 4.21Å; Y80-Y152 HydrophobicContact CD2-CD1 4.48Å; Y80-Y152 AromaticContact CD2-CE1 3.99Å; Y80-Y152 HydrophobicContact CD2-CE1 3.99Å; Y80-Y152 AromaticContact CE1-CD1 3.7Å; Y80-Y152 HydrophobicContact CE1-CD1 3.7Å; Y80-Y152 AromaticContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE2-CD1 4.31Å; Y80-Y152 AromaticContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CG-CD1 4.3Å; Y80-Y152 HydrophobicContact CG-CE1 4.26Å; Y80-Y152 AromaticContact CZ-CD1 3.92Å; Y80-Y152 AromaticContact CZ-CE1 3.57Å
81	I	96.4	Very high	94.9	Very high	8 Å²	8	42 Å²	42	4%	0.041	23%	0.234	C	C	.	.	H	α-helix	trans	-66.2	-45.9	175.9	-57.1	-54.8	0	0	0	110.3	R68 C71 L77 E78 F83 L84 D85 L153	R68-I81 HydrophobicContact CG-CD1 4.39Å; R68-I81 HydrophobicContact CG-CG2 3.97Å; C71-I81 HydrophobicContact CB-CD1 4.21Å; C71-I81 HydrophobicContact CB-CG1 3.64Å; L77-I81 PolarHBondContact O-N 3.45Å; E78-I81 PolarHBondContact O-N 3.14Å; E78-I81 VanDerWaalsContact O-N 3.09Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.49Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-D85 PolarHBondContact O-N 3.44Å; I81-L153 HydrophobicContact CD1-CD1 4.2Å
82	Q	95.8	Very high	94.7	Very high	57 Å²	57	43.2 Å²	43.2	27%	0.266	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-36.6	176.6	-68	178.3	1	0	0	112.5	E78 S86 Y109	E78-Q82 HydrophobicContact CG-CG 4.39Å; E78-Q82 WeakPolarHBondContact O-CG 3.44Å; E78-Q82 PolarHBondContact O-N 2.65Å; E78-Q82 PolarHBondContact OE1-NE2 2.84Å; Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 2.76Å; Q82-S86 PolarHBondContact O-OG 2.96Å; Q82-Y109 HydrophobicContact CB-CE1 4.02Å; Q82-Y109 PolarHBondContact O-OH 2.99Å
83	F	97.3	Very high	94.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-50.8	172.4	169.9	-100.8	0	0	0	111.5	C79 Y80 I81 D85 S86 V87 I105 Y109 L110 I118 C145 V149	C79-F83 WeakPolarHBondContact O-CB 3.38Å; C79-F83 PolarHBondContact O-N 3.26Å; Y80-F83 PolarHBondContact O-N 3.26Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.49Å; F83-D85 VanDerWaalsContact C-N 3.28Å; F83-D85 PolarHBondContact O-N 2.93Å; F83-S86 WeakPolarHBondContact O-CA 3.24Å; F83-S86 WeakPolarHBondContact O-CB 3.41Å; F83-S86 PolarHBondContact O-N 3.13Å; F83-V87 HydrophobicContact CD1-CG2 4.31Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.8Å; F83-V87 HydrophobicContact CE2-CG2 3.83Å; F83-V87 HydrophobicContact CZ-CG2 3.52Å; F83-V87 WeakPolarHBondContact O-CG2 3.37Å; F83-V87 PolarHBondContact O-N 3.11Å; F83-I105 HydrophobicContact CD2-CG2 4.09Å; F83-I105 HydrophobicContact CE2-CG2 3.68Å; F83-Y109 HydrophobicContact CB-CD1 3.98Å; F83-Y109 HydrophobicContact CB-CD2 4.37Å; F83-Y109 HydrophobicContact CB-CE1 4.33Å; F83-Y109 HydrophobicContact CB-CG 3.99Å; F83-Y109 AromaticContact CD2-CD2 3.81Å; F83-Y109 HydrophobicContact CD2-CD2 3.81Å; F83-Y109 AromaticContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CG-CG 4.37Å; F83-L110 HydrophobicContact CE2-CD1 4.43Å; F83-L110 HydrophobicContact CE2-CD2 4.31Å; F83-L110 HydrophobicContact CE2-CG 4.43Å; F83-I118 HydrophobicContact CB-CD1 3.9Å; F83-I118 HydrophobicContact CD1-CD1 3.64Å; F83-I118 HydrophobicContact CD2-CD1 3.71Å; F83-I118 HydrophobicContact CE1-CD1 4.07Å; F83-I118 HydrophobicContact CE2-CD1 4.13Å; F83-I118 HydrophobicContact CG-CD1 3.44Å; F83-I118 VanDerWaalsContact CG-CD1 3.44Å; F83-I118 HydrophobicContact CZ-CD1 4.31Å; F83-C145 HydrophobicContact CE1-CB 4.08Å; F83-C145 HydrophobicContact CZ-CB 3.56Å; F83-V149 HydrophobicContact CD1-CG2 3.76Å; F83-V149 HydrophobicContact CE1-CG2 3.84Å
84	L	97.1	Very high	94.6	Very high	21 Å²	21	37.5 Å²	37.5	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-38.8	178.7	-68.8	173.6	0	0	0	112.1	Y80 I81 S86 V87 A88 A146 V149 L153	Y80-L84 WeakPolarHBondContact O-CG 3.32Å; Y80-L84 PolarHBondContact O-N 2.86Å; Y80-L84 VanDerWaalsContact O-N 3.08Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-S86 VanDerWaalsContact C-N 3.35Å; L84-V87 PolarHBondContact O-N 3.26Å; L84-A88 PolarHBondContact O-N 2.81Å; L84-A146 HydrophobicContact CD2-CB 3.84Å; L84-V149 HydrophobicContact CD1-CG1 3.99Å; L84-V149 HydrophobicContact CD2-CB 4.27Å; L84-V149 HydrophobicContact CD2-CG1 4.1Å; L84-V149 HydrophobicContact CG-CG1 3.97Å; L84-L153 HydrophobicContact CD1-CD1 4.01Å
85	D	95.9	Very high	94.4	Very high	54 Å²	54	38.7 Å²	38.7	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-39.8	174.8	-67.6	-18.7	0	0	0	111.7	R68 I81 F83 V87 A88 E89	R68-D85 IonicContact CZ-OD1 3.61Å; R68-D85 IonicContact CZ-OD2 3.2Å; R68-D85 IonicContact NH1-OD1 3.7Å; R68-D85 PolarHBondContact NH1-OD1 3.25Å; R68-D85 IonicContact NH1-OD2 2.61Å; R68-D85 PolarHBondContact NH1-OD2 3.41Å; R68-D85 IonicContact NH2-OD1 2.79Å; R68-D85 PolarHBondContact NH2-OD1 2.81Å; I81-D85 PolarHBondContact O-N 3.44Å; F83-D85 VanDerWaalsContact C-N 3.28Å; F83-D85 PolarHBondContact O-N 2.93Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 3.27Å; D85-A88 PolarHBondContact O-N 2.99Å; D85-E89 WeakPolarHBondContact O-CG 3.09Å; D85-E89 PolarHBondContact O-N 2.83Å
86	S	97.6	Very high	94.7	Very high	7 Å²	7	41.3 Å²	41.3	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-33.7	176.3	-53.9	0	0	0	0	112.2	Q82 F83 L84 E89 Y90 I105 Y109	Q82-S86 WeakPolarHBondContact O-CB 3.32Å; Q82-S86 PolarHBondContact O-N 2.76Å; Q82-S86 PolarHBondContact O-OG 2.96Å; F83-S86 WeakPolarHBondContact O-CA 3.24Å; F83-S86 WeakPolarHBondContact O-CB 3.41Å; F83-S86 PolarHBondContact O-N 3.13Å; L84-S86 VanDerWaalsContact C-N 3.35Å; S86-E89 PolarHBondContact O-N 3.16Å; S86-Y90 WeakPolarHBondContact O-CB 3.34Å; S86-Y90 PolarHBondContact O-N 2.52Å; S86-I105 VanDerWaalsContact O-CD1 3.3Å; S86-I105 WeakPolarHBondContact O-CD1 3.44Å; S86-Y109 VanDerWaalsContact OG-CE2 3.22Å; S86-Y109 WeakPolarHBondContact OG-CE2 3.21Å; S86-Y109 PolarHBondContact OG-OH 3.02Å
87	V	97.1	Very high	94.9	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-45.1	173	172.6	0	0	0	0	110.8	F83 L84 D85 E89 Y90 E91 F142 A146	F83-V87 HydrophobicContact CD1-CG2 4.31Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 3.8Å; F83-V87 HydrophobicContact CE2-CG2 3.83Å; F83-V87 HydrophobicContact CZ-CG2 3.52Å; F83-V87 WeakPolarHBondContact O-CG2 3.37Å; F83-V87 PolarHBondContact O-N 3.11Å; L84-V87 PolarHBondContact O-N 3.26Å; D85-V87 VanDerWaalsContact C-N 3.31Å; D85-V87 PolarHBondContact O-N 3.27Å; V87-E89 VanDerWaalsContact C-N 3.29Å; V87-E89 PolarHBondContact O-N 3.28Å; V87-Y90 WeakPolarHBondContact O-CA 3.38Å; V87-Y90 WeakPolarHBondContact O-CB 3.4Å; V87-Y90 PolarHBondContact O-N 3.16Å; V87-E91 PolarHBondContact O-N 3.2Å; V87-F142 HydrophobicContact CB-CB 4.41Å; V87-F142 HydrophobicContact CG1-CB 3.86Å; V87-F142 HydrophobicContact CG2-CB 3.68Å; V87-F142 HydrophobicContact CG2-CG 4.16Å; V87-A146 HydrophobicContact CG1-CB 4.45Å
88	A	94.2	Very high	94.9	Very high	51 Å²	51	44.4 Å²	44.4	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-39.4	175.5	0	0	0	0	0	112	L84 D85 E91	L84-A88 PolarHBondContact O-N 2.81Å; D85-A88 PolarHBondContact O-N 2.99Å; A88-E91 PolarHBondContact O-N 2.88Å
89	E	96.1	Very high	94.9	Very high	100 Å²	100	42.2 Å²	42.2	47%	0.467	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-37.9	172.4	-71.7	174	-173.8	0	0	112.8	D85 S86 V87 V92 T93 K101	D85-E89 WeakPolarHBondContact O-CG 3.09Å; D85-E89 PolarHBondContact O-N 2.83Å; S86-E89 PolarHBondContact O-N 3.16Å; V87-E89 VanDerWaalsContact C-N 3.29Å; V87-E89 PolarHBondContact O-N 3.28Å; E89-V92 VanDerWaalsContact O-CG2 3.29Å; E89-V92 WeakPolarHBondContact O-CG2 3.37Å; E89-V92 PolarHBondContact O-N 3.43Å; E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 VanDerWaalsContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 2.96Å; E89-K101 WeakPolarHBondContact OE2-CE 3.23Å; E89-K101 IonicContact OE2-NZ 3.75Å; E89-K101 PolarHBondContact OE2-NZ 2.9Å
90	Y	96.5	Very high	95	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-42.3	177.3	172.7	-85	0	0	0	111.8	S86 V87 V92 T93 L98 K101 I105 P137 C138 L141 F142	S86-Y90 WeakPolarHBondContact O-CB 3.34Å; S86-Y90 PolarHBondContact O-N 2.52Å; V87-Y90 WeakPolarHBondContact O-CA 3.38Å; V87-Y90 WeakPolarHBondContact O-CB 3.4Å; V87-Y90 PolarHBondContact O-N 3.16Å; Y90-V92 PolarHBondContact O-N 2.85Å; Y90-T93 WeakPolarHBondContact O-CB 3.3Å; Y90-T93 PolarHBondContact O-N 3.25Å; Y90-T93 VanDerWaalsContact O-N 3.13Å; Y90-L98 HydrophobicContact CD1-CD2 4.42Å; Y90-L98 HydrophobicContact CD2-CD2 4.21Å; Y90-L98 HydrophobicContact CE1-CD2 4.07Å; Y90-L98 HydrophobicContact CE2-CB 4.13Å; Y90-L98 HydrophobicContact CE2-CD2 3.86Å; Y90-L98 WeakPolarHBondContact CE2-O 3.32Å; Y90-L98 HydrophobicContact CG-CD2 4.46Å; Y90-L98 WeakPolarHBondContact O-CD2 3.42Å; Y90-K101 HydrophobicContact CD2-CB 4.05Å; Y90-K101 HydrophobicContact CD2-CG 3.9Å; Y90-K101 HydrophobicContact CG-CG 4.45Å; Y90-I105 HydrophobicContact CD2-CD1 4.26Å; Y90-I105 HydrophobicContact CG-CD1 4.25Å; Y90-P137 WeakPolarHBondContact OH-CB 3.42Å; Y90-C138 VanDerWaalsContact CE1-O 3.3Å; Y90-C138 WeakPolarHBondContact CE1-O 3.37Å; Y90-C138 PolarHBondContact OH-O 3.39Å; Y90-L141 HydrophobicContact CE1-CB 3.84Å; Y90-L141 HydrophobicContact CE2-CD2 4.25Å; Y90-L141 WeakPolarHBondContact OH-CB 3.31Å; Y90-L141 VanDerWaalsContact OH-CD2 3.28Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.28Å; Y90-F142 AromaticContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CE2 4.27Å; Y90-F142 HydrophobicContact CD2-CD2 4.17Å; Y90-F142 AromaticContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CE1-CD2 4.04Å; Y90-F142 HydrophobicContact CE1-CE2 4.33Å; Y90-F142 HydrophobicContact CE2-CD2 4.34Å; Y90-F142 AromaticContact CE2-CE2 3.82Å; Y90-F142 HydrophobicContact CE2-CE2 3.82Å; Y90-F142 AromaticContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CE2 4.01Å
91	E	94.2	Very high	95.1	Very high	56 Å²	56	48.8 Å²	48.8	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-28.8	-179	-73.2	178.1	-162.5	0	0	113.6	V87 A88 K139	V87-E91 PolarHBondContact O-N 3.2Å; A88-E91 PolarHBondContact O-N 2.88Å; E91-K139 WeakPolarHBondContact O-CD 3.29Å
92	V	93.4	Very high	95.1	Very high	26 Å²	26	48.4 Å²	48.4	16%	0.158	25%	0.253	C	S	.	.	H	α-helix	trans	-101.1	-5.1	179.2	-60.7	0	0	0	0	113.9	E89 Y90 R455 A458 M460	E89-V92 VanDerWaalsContact O-CG2 3.29Å; E89-V92 WeakPolarHBondContact O-CG2 3.37Å; E89-V92 PolarHBondContact O-N 3.43Å; Y90-V92 PolarHBondContact O-N 2.85Å; V92-R455 HydrophobicContact CB-CG 4.46Å; V92-R455 WeakPolarHBondContact O-CG 3.36Å; V92-A458 HydrophobicContact CG1-CB 3.65Å; V92-M460 HydrophobicContact CB-CE 4.09Å; V92-M460 HydrophobicContact CB-SD 3.7Å; V92-M460 HydrophobicContact CG1-CE 4.11Å; V92-M460 HydrophobicContact CG1-SD 4.05Å; V92-M460 HydrophobicContact CG2-CE 3.76Å; V92-M460 HydrophobicContact CG2-SD 3.87Å
93	T	93.8	Very high	95.2	Very high	23 Å²	23	52 Å²	52	14%	0.141	27%	0.267	C	S	.	.	S	Bend	trans	-63	137.8	177	-70.1	0	0	0	0	109.8	E89 Y90 K97 L98 K101 K139	E89-T93 PolarHBondContact O-N 3.28Å; E89-T93 VanDerWaalsContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 2.96Å; Y90-T93 WeakPolarHBondContact O-CB 3.3Å; Y90-T93 PolarHBondContact O-N 3.25Å; Y90-T93 VanDerWaalsContact O-N 3.13Å; T93-K97 HydrophobicContact CG2-CB 3.58Å; T93-L98 HydrophobicContact CG2-CD2 4.26Å; T93-K101 HydrophobicContact CG2-CB 4.18Å; T93-K139 PolarHBondContact O-NZ 3.25Å
94	P	90.4	Very high	95.2	Very high	40 Å²	40	56.2 Å²	56.2	26%	0.26	29%	0.287	S	S	.	.			trans	-53.5	148.1	175.4	-27	35.3	0	0	0	113.2	E96 K97 L98	P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.03Å; P94-K97 PolarHBondContact O-N 3.44Å; P94-L98 PolarHBondContact O-N 2.87Å
95	D	88.8	Confident	95.3	Very high	99 Å²	99	55.2 Å²	55.2	53%	0.529	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.5	-37.5	-174	-73.9	21.7	0	0	0	112.3	K97 L98 K139	D95-K97 PolarHBondContact O-N 3.33Å; D95-L98 PolarHBondContact O-N 2.86Å; D95-K139 WeakPolarHBondContact OD1-CE 3.43Å; D95-K139 IonicContact OD1-NZ 3.64Å; D95-K139 PolarHBondContact OD1-NZ 3.32Å
96	E	91.5	Very high	95.4	Very high	164 Å²	164	53.4 Å²	53.4	77%	0.766	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-68.9	-20	179.9	-44.9	86.2	-173.7	0	0	113	P94	P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.03Å
97	K	95	Very high	95.4	Very high	119 Å²	119	57.4 Å²	57.4	52%	0.517	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-103.5	-4.1	-176.7	-65.5	-173.2	178.7	-175.9	0	113.9	T93 P94 D95 G99 E100 K101	T93-K97 HydrophobicContact CG2-CB 3.58Å; P94-K97 PolarHBondContact O-N 3.44Å; D95-K97 PolarHBondContact O-N 3.33Å; K97-G99 VanDerWaalsContact C-N 3.29Å; K97-G99 PolarHBondContact O-N 2.84Å; K97-E100 PolarHBondContact O-N 3.43Å; K97-K101 PolarHBondContact O-N 2.98Å; K97-K101 VanDerWaalsContact O-N 3.11Å
98	L	94.1	Very high	95.4	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-58	-41.2	-179.6	-70.7	179.2	0	0	0	112.2	Y90 T93 P94 D95 E100 K101 G102 P137 K139	Y90-L98 HydrophobicContact CD1-CD2 4.42Å; Y90-L98 HydrophobicContact CD2-CD2 4.21Å; Y90-L98 HydrophobicContact CE1-CD2 4.07Å; Y90-L98 HydrophobicContact CE2-CB 4.13Å; Y90-L98 HydrophobicContact CE2-CD2 3.86Å; Y90-L98 WeakPolarHBondContact CE2-O 3.32Å; Y90-L98 HydrophobicContact CG-CD2 4.46Å; Y90-L98 WeakPolarHBondContact O-CD2 3.42Å; T93-L98 HydrophobicContact CG2-CD2 4.26Å; P94-L98 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact O-N 2.86Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 2.74Å; L98-K101 PolarHBondContact O-N 2.87Å; L98-G102 PolarHBondContact O-N 3.15Å; L98-P137 HydrophobicContact CB-CB 4.02Å; L98-P137 HydrophobicContact CB-CG 3.92Å; L98-K139 HydrophobicContact CD1-CD 3.91Å; L98-K139 HydrophobicContact CD2-CD 4.01Å
99	G	96.3	Very high	95.6	Very high	24 Å²	24	58.9 Å²	58.9	25%	0.247	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-40	179.5	0	0	0	0	0	113.2	K97 K103	K97-G99 VanDerWaalsContact C-N 3.29Å; K97-G99 PolarHBondContact O-N 2.84Å; G99-K103 VanDerWaalsContact O-CG 3.25Å; G99-K103 WeakPolarHBondContact O-CG 3.47Å; G99-K103 PolarHBondContact O-N 2.82Å; G99-K103 VanDerWaalsContact O-N 3.17Å
100	E	96.9	Very high	95.6	Very high	142 Å²	142	54.4 Å²	54.4	66%	0.664	27%	0.272	S	S	*	.	H	α-helix	trans	-70	-51	178.5	-64.1	-178.8	167.5	0	0	111.3	K97 L98 G102 K103 E104	K97-E100 PolarHBondContact O-N 3.43Å; L98-E100 VanDerWaalsContact C-N 3.31Å; L98-E100 PolarHBondContact O-N 2.74Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 3.32Å; E100-K103 PolarHBondContact O-N 3.02Å; E100-E104 PolarHBondContact O-N 3.36Å
101	K	97.7	Very high	95.6	Very high	26 Å²	26	56.9 Å²	56.9	11%	0.113	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-38.5	179	-175	60.7	171.6	-175.4	0	111.9	E89 Y90 T93 K97 L98 E104 I105	E89-K101 WeakPolarHBondContact OE2-CE 3.23Å; E89-K101 IonicContact OE2-NZ 3.75Å; E89-K101 PolarHBondContact OE2-NZ 2.9Å; Y90-K101 HydrophobicContact CD2-CB 4.05Å; Y90-K101 HydrophobicContact CD2-CG 3.9Å; Y90-K101 HydrophobicContact CG-CG 4.45Å; T93-K101 HydrophobicContact CG2-CB 4.18Å; K97-K101 PolarHBondContact O-N 2.98Å; K97-K101 VanDerWaalsContact O-N 3.11Å; L98-K101 PolarHBondContact O-N 2.87Å; K101-E104 WeakPolarHBondContact CD-OE2 3.34Å; K101-E104 IonicContact NZ-OE1 3.79Å; K101-E104 IonicContact NZ-OE2 3.49Å; K101-E104 WeakPolarHBondContact O-CB 3.39Å; K101-E104 PolarHBondContact O-N 3.23Å; K101-I105 HydrophobicContact CG-CD1 4.25Å; K101-I105 WeakPolarHBondContact O-CG1 3.13Å; K101-I105 PolarHBondContact O-N 2.81Å
102	G	97.8	Very high	95.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-43.4	175.8	0	0	0	0	0	112.4	L98 E100 E104 I105 M106	L98-G102 PolarHBondContact O-N 3.15Å; E100-G102 VanDerWaalsContact C-N 3.31Å; E100-G102 PolarHBondContact O-N 3.32Å; G102-E104 VanDerWaalsContact C-N 3.34Å; G102-E104 PolarHBondContact O-N 3.32Å; G102-I105 PolarHBondContact O-N 3.23Å; G102-M106 WeakPolarHBondContact O-CB 3.37Å; G102-M106 VanDerWaalsContact O-CG 3.3Å; G102-M106 WeakPolarHBondContact O-CG 3.46Å; G102-M106 PolarHBondContact O-N 2.8Å
103	K	97.6	Very high	95.7	Very high	131 Å²	131	67.3 Å²	67.3	57%	0.57	34%	0.339	S	S	*	.	H	α-helix	trans	-64.5	-38.5	175.5	-74.9	173.3	-175.7	177.7	0	112.3	G99 E100 M106 T107 L133	G99-K103 VanDerWaalsContact O-CG 3.25Å; G99-K103 WeakPolarHBondContact O-CG 3.47Å; G99-K103 PolarHBondContact O-N 2.82Å; G99-K103 VanDerWaalsContact O-N 3.17Å; E100-K103 PolarHBondContact O-N 3.02Å; K103-M106 PolarHBondContact O-N 3.28Å; K103-T107 WeakPolarHBondContact O-CB 3.23Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 3.34Å; K103-L133 HydrophobicContact CG-CD2 4.09Å
104	E	97.9	Very high	95.7	Very high	90 Å²	90	67.3 Å²	67.3	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-50.8	173.7	-172.1	-162.1	148.1	0	0	110.7	E100 K101 G102 T107 K108	E100-E104 PolarHBondContact O-N 3.36Å; K101-E104 WeakPolarHBondContact CD-OE2 3.34Å; K101-E104 IonicContact NZ-OE1 3.79Å; K101-E104 IonicContact NZ-OE2 3.49Å; K101-E104 WeakPolarHBondContact O-CB 3.39Å; K101-E104 PolarHBondContact O-N 3.23Å; G102-E104 VanDerWaalsContact C-N 3.34Å; G102-E104 PolarHBondContact O-N 3.32Å; E104-T107 PolarHBondContact O-N 2.69Å; E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 PolarHBondContact O-N 2.72Å
105	I	98.2	Very high	95.9	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-46.3	179.5	-68.5	170.4	0	0	0	111.4	F83 S86 Y90 K101 G102 T107 K108 Y109 F142	F83-I105 HydrophobicContact CD2-CG2 4.09Å; F83-I105 HydrophobicContact CE2-CG2 3.68Å; S86-I105 VanDerWaalsContact O-CD1 3.3Å; S86-I105 WeakPolarHBondContact O-CD1 3.44Å; Y90-I105 HydrophobicContact CD2-CD1 4.26Å; Y90-I105 HydrophobicContact CG-CD1 4.25Å; K101-I105 HydrophobicContact CG-CD1 4.25Å; K101-I105 WeakPolarHBondContact O-CG1 3.13Å; K101-I105 PolarHBondContact O-N 2.81Å; G102-I105 PolarHBondContact O-N 3.23Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 3.44Å; I105-K108 PolarHBondContact O-N 3.48Å; I105-Y109 HydrophobicContact CG2-CD2 4.13Å; I105-Y109 PolarHBondContact O-N 3.35Å; I105-F142 HydrophobicContact CB-CE1 4.31Å; I105-F142 HydrophobicContact CB-CE2 4.22Å; I105-F142 HydrophobicContact CB-CZ 3.83Å; I105-F142 HydrophobicContact CD1-CD2 4.24Å; I105-F142 HydrophobicContact CD1-CE2 3.89Å; I105-F142 HydrophobicContact CD1-CZ 4.39Å; I105-F142 HydrophobicContact CG2-CD1 4.1Å; I105-F142 HydrophobicContact CG2-CE1 3.63Å; I105-F142 HydrophobicContact CG2-CE2 4.14Å; I105-F142 HydrophobicContact CG2-CZ 3.65Å
106	M	97.9	Very high	96.2	Very high	15 Å²	15	68.9 Å²	68.9	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-47.1	177.6	-75.5	-67.5	-61.2	0	0	111.7	G102 K103 L110 T111 V126 T129 E130 L133 F142	G102-M106 WeakPolarHBondContact O-CB 3.37Å; G102-M106 VanDerWaalsContact O-CG 3.3Å; G102-M106 WeakPolarHBondContact O-CG 3.46Å; G102-M106 PolarHBondContact O-N 2.8Å; K103-M106 PolarHBondContact O-N 3.28Å; M106-L110 CarbonylContact O-C 3.48Å; M106-L110 WeakPolarHBondContact O-CA 3.43Å; M106-L110 PolarHBondContact O-N 2.94Å; M106-L110 VanDerWaalsContact O-N 3.11Å; M106-L110 HydrophobicContact SD-CB 4.29Å; M106-L110 HydrophobicContact SD-CD1 3.53Å; M106-L110 VanDerWaalsContact SD-CD1 3.53Å; M106-L110 HydrophobicContact SD-CG 4.47Å; M106-T111 PolarHBondContact O-N 3.31Å; M106-T111 VanDerWaalsContact O-N 3.16Å; M106-T111 PolarHBondContact O-OG1 3.18Å; M106-V126 HydrophobicContact CE-CG1 3.78Å; M106-T129 HydrophobicContact SD-CG2 4.07Å; M106-E130 HydrophobicContact CE-CB 3.65Å; M106-E130 HydrophobicContact CE-CG 4.08Å; M106-L133 HydrophobicContact CG-CD2 3.71Å; M106-F142 HydrophobicContact CG-CE1 4.29Å; M106-F142 HydrophobicContact CG-CZ 4.27Å; M106-F142 HydrophobicContact SD-CE1 4.08Å
107	T	97.6	Very high	96.4	Very high	92 Å²	92	64.1 Å²	64.1	56%	0.564	33%	0.332	S	S	*	.	H	α-helix	trans	-68	-43	-179.3	-56.1	0	0	0	0	111.2	K103 E104 I105 T111	K103-T107 WeakPolarHBondContact O-CB 3.23Å; K103-T107 PolarHBondContact O-N 2.91Å; K103-T107 PolarHBondContact O-OG1 3.34Å; E104-T107 PolarHBondContact O-N 2.69Å; I105-T107 VanDerWaalsContact C-N 3.35Å; I105-T107 PolarHBondContact O-N 3.44Å; T107-T111 WeakPolarHBondContact O-CB 3.21Å
108	K	97.5	Very high	96.5	Very high	81 Å²	81	58.5 Å²	58.5	35%	0.352	31%	0.308	S	S	.	.	H	α-helix	trans	-75.5	-42.6	-173.7	-171.8	174.5	178.3	-164.8	0	112.7	E104 I105 S114 V116	E104-K108 WeakPolarHBondContact O-CB 3.33Å; E104-K108 PolarHBondContact O-N 2.72Å; I105-K108 PolarHBondContact O-N 3.48Å; K108-S114 WeakPolarHBondContact O-CB 3.48Å; K108-S114 PolarHBondContact O-OG 2.95Å; K108-V116 HydrophobicContact CG-CG2 3.7Å; K108-V116 VanDerWaalsContact O-CG2 3.25Å; K108-V116 WeakPolarHBondContact O-CG2 3.33Å
109	Y	97.7	Very high	96.5	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-114.6	-27.9	-170.5	-56.4	-74.2	0	0	0	114	Q82 F83 S86 I105 V116 F117 I118	Q82-Y109 HydrophobicContact CB-CE1 4.02Å; Q82-Y109 PolarHBondContact O-OH 2.99Å; F83-Y109 HydrophobicContact CB-CD1 3.98Å; F83-Y109 HydrophobicContact CB-CD2 4.37Å; F83-Y109 HydrophobicContact CB-CE1 4.33Å; F83-Y109 HydrophobicContact CB-CG 3.99Å; F83-Y109 AromaticContact CD2-CD2 3.81Å; F83-Y109 HydrophobicContact CD2-CD2 3.81Å; F83-Y109 AromaticContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CD2-CG 3.77Å; F83-Y109 HydrophobicContact CG-CG 4.37Å; S86-Y109 VanDerWaalsContact OG-CE2 3.22Å; S86-Y109 WeakPolarHBondContact OG-CE2 3.21Å; S86-Y109 PolarHBondContact OG-OH 3.02Å; I105-Y109 HydrophobicContact CG2-CD2 4.13Å; I105-Y109 PolarHBondContact O-N 3.35Å; Y109-V116 HydrophobicContact CD1-CB 4.43Å; Y109-V116 HydrophobicContact CD1-CG2 3.9Å; Y109-V116 HydrophobicContact CE1-CB 4.49Å; Y109-V116 HydrophobicContact CE1-CG2 3.91Å; Y109-F117 WeakPolarHBondContact O-CA 3.13Å; Y109-F117 VanDerWaalsContact O-CD2 3.3Å; Y109-F117 WeakPolarHBondContact O-CD2 3.46Å; Y109-I118 VanDerWaalsContact O-CG1 3.3Å; Y109-I118 WeakPolarHBondContact O-CG1 3.34Å; Y109-I118 PolarHBondContact O-N 3.06Å
110	L	97.1	Very high	96.4	Very high	6 Å²	6	64.8 Å²	64.8	3%	0.031	34%	0.342	C	S	.	.	S	Bend	trans	-105.7	2.9	-171.2	-55.9	178.9	0	0	0	113.5	F83 M106 I118 V121 V126 F142	F83-L110 HydrophobicContact CE2-CD1 4.43Å; F83-L110 HydrophobicContact CE2-CD2 4.31Å; F83-L110 HydrophobicContact CE2-CG 4.43Å; M106-L110 CarbonylContact O-C 3.48Å; M106-L110 WeakPolarHBondContact O-CA 3.43Å; M106-L110 PolarHBondContact O-N 2.94Å; M106-L110 VanDerWaalsContact O-N 3.11Å; M106-L110 HydrophobicContact SD-CB 4.29Å; M106-L110 HydrophobicContact SD-CD1 3.53Å; M106-L110 VanDerWaalsContact SD-CD1 3.53Å; M106-L110 HydrophobicContact SD-CG 4.47Å; L110-I118 HydrophobicContact CD2-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CG1 3.85Å; L110-V121 HydrophobicContact CD2-CB 3.99Å; L110-V121 HydrophobicContact CD2-CG1 4.05Å; L110-V121 HydrophobicContact CD2-CG2 4.07Å; L110-V126 HydrophobicContact CB-CG1 4Å; L110-V126 HydrophobicContact CB-CG2 4.18Å; L110-V126 HydrophobicContact CD2-CG2 4.22Å; L110-F142 HydrophobicContact CD1-CD1 4.38Å; L110-F142 HydrophobicContact CD1-CE1 4.05Å
111	T	96	Very high	96.3	Very high	52 Å²	52	58.2 Å²	58.2	32%	0.319	31%	0.311	S	S	.	.	S	Bend	trans	-101.7	122.9	176.5	-60	0	0	0	0	111	M106 T107 K113 S114 F117	M106-T111 PolarHBondContact O-N 3.31Å; M106-T111 VanDerWaalsContact O-N 3.16Å; M106-T111 PolarHBondContact O-OG1 3.18Å; T107-T111 WeakPolarHBondContact O-CB 3.21Å; T111-K113 HydrophobicContact CG2-CB 4.42Å; T111-K113 PolarHBondContact O-N 3.47Å; T111-S114 VanDerWaalsContact O-CB 3.29Å; T111-S114 WeakPolarHBondContact O-CB 3.4Å; T111-S114 PolarHBondContact O-N 3.34Å; T111-F117 VanDerWaalsContact C-CD2 3.43Å; T111-F117 WeakPolarHBondContact O-CD2 3.48Å
112	P	94.9	Very high	96.2	Very high	99 Å²	99	58.8 Å²	58.8	64%	0.643	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.2	-175.6	-29.4	35.7	0	0	0	116.4	S114 F117	P112-S114 VanDerWaalsContact C-N 3.3Å; P112-F117 HydrophobicContact CB-CE1 4.39Å; P112-F117 HydrophobicContact CB-CZ 4.4Å; P112-F117 HydrophobicContact CG-CE2 4.12Å; P112-F117 HydrophobicContact CG-CZ 4.06Å
113	K	94.3	Very high	96.1	Very high	202 Å²	202	69.2 Å²	69.2	88%	0.878	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.1	178.3	-64.6	-178	-179.9	177	0	113.4	T111	T111-K113 HydrophobicContact CG2-CB 4.42Å; T111-K113 PolarHBondContact O-N 3.47Å
114	S	95.6	Very high	96	Very high	23 Å²	23	68.8 Å²	68.8	16%	0.161	37%	0.368	C	S	.	.	S	Bend	trans	-75	140.9	-178.9	179.5	0	0	0	0	111.5	K108 T111 P112 V116 F117	K108-S114 WeakPolarHBondContact O-CB 3.48Å; K108-S114 PolarHBondContact O-OG 2.95Å; T111-S114 VanDerWaalsContact O-CB 3.29Å; T111-S114 WeakPolarHBondContact O-CB 3.4Å; T111-S114 PolarHBondContact O-N 3.34Å; P112-S114 VanDerWaalsContact C-N 3.3Å; S114-V116 PolarHBondContact O-N 3.01Å; S114-V116 PolarHBondContact OG-N 2.61Å; S114-F117 WeakPolarHBondContact O-CB 3.41Å; S114-F117 PolarHBondContact O-N 3.48Å
115	P	93.3	Very high	95.9	Very high	135 Å²	135	66.5 Å²	66.5	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.3	175.2	27.9	-36.7	0	0	0	113.7
116	V	95.3	Very high	95.9	Very high	37 Å²	37	67.4 Å²	67.4	22%	0.224	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	29.1	178.7	-62	0	0	0	0	111.9	C79 K108 Y109 S114 I118	C79-V116 HydrophobicContact CB-CB 4.09Å; K108-V116 HydrophobicContact CG-CG2 3.7Å; K108-V116 VanDerWaalsContact O-CG2 3.25Å; K108-V116 WeakPolarHBondContact O-CG2 3.33Å; Y109-V116 HydrophobicContact CD1-CB 4.43Å; Y109-V116 HydrophobicContact CD1-CG2 3.9Å; Y109-V116 HydrophobicContact CE1-CB 4.49Å; Y109-V116 HydrophobicContact CE1-CG2 3.91Å; S114-V116 PolarHBondContact O-N 3.01Å; S114-V116 PolarHBondContact OG-N 2.61Å; V116-I118 PolarHBondContact O-N 2.7Å
117	F	96.5	Very high	95.8	Very high	65 Å²	65	70 Å²	70	29%	0.285	38%	0.383	S	S	.	.			trans	-60.6	130.6	176.4	172.9	-116.4	0	0	0	112	Y109 T111 P112 S114 A119	Y109-F117 WeakPolarHBondContact O-CA 3.13Å; Y109-F117 VanDerWaalsContact O-CD2 3.3Å; Y109-F117 WeakPolarHBondContact O-CD2 3.46Å; T111-F117 VanDerWaalsContact C-CD2 3.43Å; T111-F117 WeakPolarHBondContact O-CD2 3.48Å; P112-F117 HydrophobicContact CB-CE1 4.39Å; P112-F117 HydrophobicContact CB-CZ 4.4Å; P112-F117 HydrophobicContact CG-CE2 4.12Å; P112-F117 HydrophobicContact CG-CZ 4.06Å; S114-F117 WeakPolarHBondContact O-CB 3.41Å; S114-F117 PolarHBondContact O-N 3.48Å; F117-A119 HydrophobicContact CD1-CB 4.21Å; F117-A119 HydrophobicContact CE1-CB 3.66Å; F117-A119 HydrophobicContact CZ-CB 4.34Å
118	I	95.9	Very high	95.7	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.379	C	S	.	.			trans	-100.6	95.1	177.9	52.9	170.3	0	0	0	111.3	C79 Y80 F83 Y109 L110 V116 Q120 V121 V149	C79-I118 HydrophobicContact CB-CG2 4.17Å; Y80-I118 HydrophobicContact CD1-CB 3.98Å; Y80-I118 HydrophobicContact CD1-CG2 3.7Å; Y80-I118 HydrophobicContact CD2-CG2 4.35Å; Y80-I118 HydrophobicContact CE1-CB 3.68Å; Y80-I118 HydrophobicContact CE1-CG2 3.78Å; Y80-I118 HydrophobicContact CE2-CG2 4.4Å; Y80-I118 HydrophobicContact CG-CG2 4.02Å; F83-I118 HydrophobicContact CB-CD1 3.9Å; F83-I118 HydrophobicContact CD1-CD1 3.64Å; F83-I118 HydrophobicContact CD2-CD1 3.71Å; F83-I118 HydrophobicContact CE1-CD1 4.07Å; F83-I118 HydrophobicContact CE2-CD1 4.13Å; F83-I118 HydrophobicContact CG-CD1 3.44Å; F83-I118 VanDerWaalsContact CG-CD1 3.44Å; F83-I118 HydrophobicContact CZ-CD1 4.31Å; Y109-I118 VanDerWaalsContact O-CG1 3.3Å; Y109-I118 WeakPolarHBondContact O-CG1 3.34Å; Y109-I118 PolarHBondContact O-N 3.06Å; L110-I118 HydrophobicContact CD2-CD1 3.88Å; L110-I118 HydrophobicContact CD2-CG1 3.85Å; V116-I118 PolarHBondContact O-N 2.7Å; I118-Q120 PolarHBondContact O-N 3.47Å; I118-V121 HydrophobicContact CD1-CG2 3.57Å; I118-V121 HydrophobicContact CG1-CG2 4.05Å; I118-V121 PolarHBondContact O-N 2.87Å; I118-V149 HydrophobicContact CD1-CG2 3.88Å
119	A	93.9	Very high	95.7	Very high	65 Å²	65	66.9 Å²	66.9	54%	0.537	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.9	-172.1	0	0	0	0	0	115.8	F117	F117-A119 HydrophobicContact CD1-CB 4.21Å; F117-A119 HydrophobicContact CE1-CB 3.66Å; F117-A119 HydrophobicContact CZ-CB 4.34Å
120	Q	94.8	Very high	95.6	Very high	95 Å²	95	71.7 Å²	71.7	44%	0.444	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.6	-175.4	-58.6	-67.4	-20.6	0	0	112.8	Y80 I118 G122 S148 Y152	Y80-Q120 HydrophobicContact CE1-CB 3.97Å; Y80-Q120 HydrophobicContact CE1-CG 3.87Å; Y80-Q120 VanDerWaalsContact OH-CG 3.25Å; Y80-Q120 WeakPolarHBondContact OH-CG 3.15Å; I118-Q120 PolarHBondContact O-N 3.47Å; Q120-G122 PolarHBondContact O-N 2.87Å; Q120-S148 PolarHBondContact O-OG 3.26Å; Q120-Y152 HydrophobicContact CB-CD1 4.45Å; Q120-Y152 HydrophobicContact CB-CD2 4.32Å; Q120-Y152 HydrophobicContact CB-CG 4.02Å; Q120-Y152 HydrophobicContact CG-CD1 3.95Å; Q120-Y152 HydrophobicContact CG-CD2 3.55Å; Q120-Y152 HydrophobicContact CG-CE1 4.22Å; Q120-Y152 HydrophobicContact CG-CE2 3.85Å; Q120-Y152 HydrophobicContact CG-CG 3.6Å
121	V	95.6	Very high	95.6	Very high	5 Å²	5	77.1 Å²	77.1	3%	0.03	41%	0.412	C	S	.	.	S	Bend	trans	-76.2	113.9	171.8	-175.3	0	0	0	0	107.9	L110 I118 L125 V126 C145 V149	L110-V121 HydrophobicContact CD2-CB 3.99Å; L110-V121 HydrophobicContact CD2-CG1 4.05Å; L110-V121 HydrophobicContact CD2-CG2 4.07Å; I118-V121 HydrophobicContact CD1-CG2 3.57Å; I118-V121 HydrophobicContact CG1-CG2 4.05Å; I118-V121 PolarHBondContact O-N 2.87Å; V121-L125 HydrophobicContact CG1-CD2 3.91Å; V121-V126 HydrophobicContact CB-CG2 4.43Å; V121-V126 HydrophobicContact CG1-CG2 3.85Å; V121-C145 HydrophobicContact CG1-CB 4.27Å; V121-V149 HydrophobicContact CG2-CG2 3.76Å
122	G	95.1	Very high	95.5	Very high	38 Å²	38	80 Å²	80	39%	0.392	42%	0.42	S	S	.	.			trans	-59	142.8	-175.1	0	0	0	0	0	113	Q120 D124 L125 V126	Q120-G122 PolarHBondContact O-N 2.87Å; G122-D124 VanDerWaalsContact C-N 3.26Å; G122-D124 PolarHBondContact O-N 2.87Å; G122-L125 WeakPolarHBondContact O-CB 3.47Å; G122-L125 PolarHBondContact O-N 3.31Å; G122-V126 PolarHBondContact O-N 3.24Å
123	R	95.2	Very high	95.5	Very high	218 Å²	218	76.1 Å²	76.1	82%	0.823	39%	0.394	S	S	*	.	H	α-helix	trans	-56.4	-37.2	-177.8	-75.9	-167.9	-87.8	-147.3	-4.2	113.5	L125 V126 S127	R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 3.41Å; R123-V126 PolarHBondContact O-N 2.92Å; R123-S127 PolarHBondContact O-N 2.96Å; R123-S127 PolarHBondContact O-OG 2.93Å
124	D	96.4	Very high	95.5	Very high	123 Å²	123	72.9 Å²	72.9	66%	0.658	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-38.1	178.1	-61.2	-23.1	0	0	0	111.7	G122 S127 Q128	G122-D124 VanDerWaalsContact C-N 3.26Å; G122-D124 PolarHBondContact O-N 2.87Å; D124-S127 PolarHBondContact O-N 3.18Å; D124-Q128 VanDerWaalsContact O-CG 3.28Å; D124-Q128 WeakPolarHBondContact O-CG 3.5Å; D124-Q128 PolarHBondContact O-N 3.46Å
125	L	96.3	Very high	95.3	Very high	41 Å²	41	78.5 Å²	78.5	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-71.3	-38.5	179	-160.3	152.4	0	0	0	110.8	V121 G122 R123 Q128 T129 A144 C145	V121-L125 HydrophobicContact CG1-CD2 3.91Å; G122-L125 WeakPolarHBondContact O-CB 3.47Å; G122-L125 PolarHBondContact O-N 3.31Å; R123-L125 VanDerWaalsContact C-N 3.29Å; R123-L125 PolarHBondContact O-N 3.41Å; L125-Q128 PolarHBondContact O-N 3.13Å; L125-T129 WeakPolarHBondContact O-CB 3.36Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 PolarHBondContact O-OG1 2.96Å; L125-A144 HydrophobicContact CD1-CB 4.04Å; L125-A144 HydrophobicContact CD2-CB 4.21Å; L125-A144 HydrophobicContact CG-CB 4.32Å; L125-C145 HydrophobicContact CD2-CB 3.96Å; L125-C145 WeakPolarHBondContact CD2-SG 3.24Å
126	V	97.1	Very high	95	Very high	20 Å²	20	80.8 Å²	80.8	12%	0.121	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-48.5	171.5	177.8	0	0	0	0	110.9	M106 L110 V121 G122 R123 Q128 T129 E130	M106-V126 HydrophobicContact CE-CG1 3.78Å; L110-V126 HydrophobicContact CB-CG1 4Å; L110-V126 HydrophobicContact CB-CG2 4.18Å; L110-V126 HydrophobicContact CD2-CG2 4.22Å; V121-V126 HydrophobicContact CB-CG2 4.43Å; V121-V126 HydrophobicContact CG1-CG2 3.85Å; G122-V126 PolarHBondContact O-N 3.24Å; R123-V126 PolarHBondContact O-N 2.92Å; V126-Q128 PolarHBondContact O-N 3.36Å; V126-T129 WeakPolarHBondContact O-CB 3.19Å; V126-T129 PolarHBondContact O-N 3.18Å; V126-T129 VanDerWaalsContact O-N 3.16Å; V126-E130 PolarHBondContact O-N 3.48Å
127	S	96.3	Very high	94.8	Very high	68 Å²	68	80.6 Å²	80.6	48%	0.476	40%	0.404	S	S	.	.	H	α-helix	trans	-60.3	-44.4	178.6	-59.2	0	0	0	0	112.4	R123 D124 T129 E130 E131	R123-S127 PolarHBondContact O-N 2.96Å; R123-S127 PolarHBondContact O-OG 2.93Å; D124-S127 PolarHBondContact O-N 3.18Å; S127-T129 VanDerWaalsContact C-N 3.29Å; S127-T129 PolarHBondContact O-N 2.6Å; S127-E130 PolarHBondContact O-N 2.84Å; S127-E131 PolarHBondContact O-N 3.06Å
128	Q	95.8	Very high	94.5	Very high	104 Å²	104	80.8 Å²	80.8	49%	0.486	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-37.4	176	-72.6	171.5	38.8	0	0	112.3	D124 L125 V126 K132	D124-Q128 VanDerWaalsContact O-CG 3.28Å; D124-Q128 WeakPolarHBondContact O-CG 3.5Å; D124-Q128 PolarHBondContact O-N 3.46Å; L125-Q128 PolarHBondContact O-N 3.13Å; V126-Q128 PolarHBondContact O-N 3.36Å; Q128-K132 VanDerWaalsContact O-CG 3.31Å; Q128-K132 WeakPolarHBondContact O-CG 3.46Å; Q128-K132 PolarHBondContact O-N 2.97Å; Q128-K132 VanDerWaalsContact O-N 3.09Å
129	T	96.6	Very high	94.3	Very high	5 Å²	5	82.1 Å²	82.1	3%	0.031	42%	0.419	C	S	.	.	H	α-helix	trans	-69.3	-40.9	178.1	-55.2	0	0	0	0	110.7	M106 L125 V126 S127 K132 L133 L141 F142 C145	M106-T129 HydrophobicContact SD-CG2 4.07Å; L125-T129 WeakPolarHBondContact O-CB 3.36Å; L125-T129 PolarHBondContact O-N 3.48Å; L125-T129 PolarHBondContact O-OG1 2.96Å; V126-T129 WeakPolarHBondContact O-CB 3.19Å; V126-T129 PolarHBondContact O-N 3.18Å; V126-T129 VanDerWaalsContact O-N 3.16Å; S127-T129 VanDerWaalsContact C-N 3.29Å; S127-T129 PolarHBondContact O-N 2.6Å; T129-K132 PolarHBondContact O-N 3.32Å; T129-L133 VanDerWaalsContact O-CB 3.31Å; T129-L133 WeakPolarHBondContact O-CB 3.37Å; T129-L133 PolarHBondContact O-N 3.34Å; T129-L141 HydrophobicContact CG2-CD1 4.05Å; T129-L141 HydrophobicContact CG2-CG 3.98Å; T129-F142 HydrophobicContact CG2-CD1 3.73Å; T129-F142 HydrophobicContact CG2-CE1 3.59Å; T129-F142 HydrophobicContact CG2-CZ 4.38Å; T129-C145 PolarHBondContact OG1-SG 3.42Å
130	E	96.4	Very high	94.2	Very high	105 Å²	105	83.1 Å²	83.1	49%	0.491	41%	0.413	S	S	.	.	H	α-helix	trans	-61.2	-45.8	174.7	-168.4	169.4	-159	0	0	111.8	M106 V126 S127 K132 L133 L134	M106-E130 HydrophobicContact CE-CB 3.65Å; M106-E130 HydrophobicContact CE-CG 4.08Å; V126-E130 PolarHBondContact O-N 3.48Å; S127-E130 PolarHBondContact O-N 2.84Å; E130-K132 PolarHBondContact O-N 2.92Å; E130-L133 WeakPolarHBondContact O-CB 3.24Å; E130-L133 PolarHBondContact O-N 2.89Å; E130-L134 WeakPolarHBondContact O-CG 3.42Å; E130-L134 PolarHBondContact O-N 2.86Å
131	E	95.5	Very high	94.3	Very high	119 Å²	119	79 Å²	79	56%	0.556	39%	0.394	S	S	*	.	H	α-helix	trans	-60.7	-47.1	177.5	-173.5	-179.2	179.7	0	0	111.7	S127 L133 L134 Q135	S127-E131 PolarHBondContact O-N 3.06Å; E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 2.98Å; E131-L134 PolarHBondContact O-N 2.76Å; E131-Q135 PolarHBondContact O-N 3.04Å
132	K	95.3	Very high	94.4	Very high	112 Å²	112	78.8 Å²	78.8	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-36.1	176.7	-73.4	173	-178.1	175.4	0	112.4	Q128 T129 E130 L134 Q135 L141	Q128-K132 VanDerWaalsContact O-CG 3.31Å; Q128-K132 WeakPolarHBondContact O-CG 3.46Å; Q128-K132 PolarHBondContact O-N 2.97Å; Q128-K132 VanDerWaalsContact O-N 3.09Å; T129-K132 PolarHBondContact O-N 3.32Å; E130-K132 PolarHBondContact O-N 2.92Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-Q135 PolarHBondContact O-N 3.19Å; K132-L141 HydrophobicContact CB-CD1 3.46Å; K132-L141 VanDerWaalsContact CB-CD1 3.46Å; K132-L141 HydrophobicContact CD-CD1 4.44Å
133	L	95.3	Very high	94.5	Very high	18 Å²	18	79.6 Å²	79.6	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-66.6	-35.5	177	-179.6	59.5	0	0	0	112.1	K103 M106 T129 E130 E131 Q135 P137 L141	K103-L133 HydrophobicContact CG-CD2 4.09Å; M106-L133 HydrophobicContact CG-CD2 3.71Å; T129-L133 VanDerWaalsContact O-CB 3.31Å; T129-L133 WeakPolarHBondContact O-CB 3.37Å; T129-L133 PolarHBondContact O-N 3.34Å; E130-L133 WeakPolarHBondContact O-CB 3.24Å; E130-L133 PolarHBondContact O-N 2.89Å; E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 2.98Å; L133-Q135 VanDerWaalsContact C-N 3.31Å; L133-P137 HydrophobicContact CD1-CB 4.15Å; L133-L141 HydrophobicContact CB-CD2 3.99Å; L133-L141 HydrophobicContact CD1-CD2 3.72Å; L133-L141 HydrophobicContact CG-CD2 4.34Å
134	L	93.1	Very high	94.6	Very high	135 Å²	135	71.5 Å²	71.5	71%	0.707	37%	0.372	S	S	*	.	H	α-helix	trans	-71.6	-23.9	177.7	-71.7	171.7	0	0	0	113.5	E130 E131 K132	E130-L134 WeakPolarHBondContact O-CG 3.42Å; E130-L134 PolarHBondContact O-N 2.86Å; E131-L134 PolarHBondContact O-N 2.76Å; K132-L134 VanDerWaalsContact C-N 3.35Å
135	Q	91.6	Very high	94.6	Very high	141 Å²	141	65.7 Å²	65.7	66%	0.659	34%	0.34	S	S	*	.	S	Bend	trans	-81.8	-103.3	177.6	-64.9	178.5	14.6	0	0	111.1	E131 K132 L133	E131-Q135 PolarHBondContact O-N 3.04Å; K132-Q135 PolarHBondContact O-N 3.19Å; L133-Q135 VanDerWaalsContact C-N 3.31Å
136	K	87.3	Confident	94.7	Very high	183 Å²	183	64.4 Å²	64.4	80%	0.796	34%	0.336	S	S	*	.			trans	-128.4	105.2	175.1	-175.7	178.5	179.9	-179	0	107.8	C138	K136-C138 PolarHBondContact O-N 3.26Å
137	P	90.2	Very high	94.7	Very high	32 Å²	32	69 Å²	69	21%	0.208	36%	0.356	C	S	.	.			trans	-62.2	134.4	-179.1	23.1	-31.4	0	0	0	110.7	Y90 L98 L133 L141	Y90-P137 WeakPolarHBondContact OH-CB 3.42Å; L98-P137 HydrophobicContact CB-CB 4.02Å; L98-P137 HydrophobicContact CB-CG 3.92Å; L133-P137 HydrophobicContact CD1-CB 4.15Å; P137-L141 HydrophobicContact CB-CD2 4.44Å
138	C	91.7	Very high	94.7	Very high	70 Å²	70	66.7 Å²	66.7	47%	0.473	34%	0.34	S	S	.	.			trans	-108.6	169.6	169.8	69	0	0	0	0	110.2	Y90 K136 E140 L141	Y90-C138 VanDerWaalsContact CE1-O 3.3Å; Y90-C138 WeakPolarHBondContact CE1-O 3.37Å; Y90-C138 PolarHBondContact OH-O 3.39Å; K136-C138 PolarHBondContact O-N 3.26Å; C138-E140 VanDerWaalsContact C-N 3.26Å; C138-E140 PolarHBondContact O-N 3.41Å; C138-L141 WeakPolarHBondContact O-CB 3.42Å; C138-L141 PolarHBondContact O-N 2.76Å
139	K	90.2	Very high	94.8	Very high	28 Å²	28	61.8 Å²	61.8	12%	0.122	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32	179.6	-57.4	-56.1	-169.4	-167.4	0	112.9	E91 T93 D95 L98 L141 K454	E91-K139 WeakPolarHBondContact O-CD 3.29Å; T93-K139 PolarHBondContact O-NZ 3.25Å; D95-K139 WeakPolarHBondContact OD1-CE 3.43Å; D95-K139 IonicContact OD1-NZ 3.64Å; D95-K139 PolarHBondContact OD1-NZ 3.32Å; L98-K139 HydrophobicContact CD1-CD 3.91Å; L98-K139 HydrophobicContact CD2-CD 4.01Å; K139-L141 PolarHBondContact O-N 2.78Å; K139-K454 HydrophobicContact CB-CG 4.26Å; K139-K454 HydrophobicContact CG-CG 4.04Å
140	E	93.6	Very high	94.9	Very high	86 Å²	86	64 Å²	64	40%	0.402	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	9.8	-177.6	-53.8	-55.6	146.1	0	0	113.8	C138 F142 S143 K454	C138-E140 VanDerWaalsContact C-N 3.26Å; C138-E140 PolarHBondContact O-N 3.41Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 2.88Å; E140-F142 VanDerWaalsContact O-N 3.16Å; E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.1Å; E140-S143 PolarHBondContact O-N 3.06Å; E140-K454 WeakPolarHBondContact OE1-CE 3.27Å; E140-K454 IonicContact OE1-NZ 3.06Å; E140-K454 PolarHBondContact OE1-NZ 3.08Å
141	L	96.3	Very high	94.9	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.042	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-43.3	-172.2	177.3	64.8	0	0	0	113.1	Y90 T129 K132 L133 P137 C138 K139	Y90-L141 HydrophobicContact CE1-CB 3.84Å; Y90-L141 HydrophobicContact CE2-CD2 4.25Å; Y90-L141 WeakPolarHBondContact OH-CB 3.31Å; Y90-L141 VanDerWaalsContact OH-CD2 3.28Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.28Å; T129-L141 HydrophobicContact CG2-CD1 4.05Å; T129-L141 HydrophobicContact CG2-CG 3.98Å; K132-L141 HydrophobicContact CB-CD1 3.46Å; K132-L141 VanDerWaalsContact CB-CD1 3.46Å; K132-L141 HydrophobicContact CD-CD1 4.44Å; L133-L141 HydrophobicContact CB-CD2 3.99Å; L133-L141 HydrophobicContact CD1-CD2 3.72Å; L133-L141 HydrophobicContact CG-CD2 4.34Å; P137-L141 HydrophobicContact CB-CD2 4.44Å; C138-L141 WeakPolarHBondContact O-CB 3.42Å; C138-L141 PolarHBondContact O-N 2.76Å; K139-L141 PolarHBondContact O-N 2.78Å
142	F	97.8	Very high	95	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	5.4	-176.5	-66.2	-74.4	0	0	0	114.2	V87 Y90 I105 M106 L110 T129 E140 A144 C145 A146	V87-F142 HydrophobicContact CB-CB 4.41Å; V87-F142 HydrophobicContact CG1-CB 3.86Å; V87-F142 HydrophobicContact CG2-CB 3.68Å; V87-F142 HydrophobicContact CG2-CG 4.16Å; Y90-F142 AromaticContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CD2 3.84Å; Y90-F142 HydrophobicContact CD1-CE2 4.27Å; Y90-F142 HydrophobicContact CD2-CD2 4.17Å; Y90-F142 AromaticContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CD2-CE2 3.77Å; Y90-F142 HydrophobicContact CE1-CD2 4.04Å; Y90-F142 HydrophobicContact CE1-CE2 4.33Å; Y90-F142 HydrophobicContact CE2-CD2 4.34Å; Y90-F142 AromaticContact CE2-CE2 3.82Å; Y90-F142 HydrophobicContact CE2-CE2 3.82Å; Y90-F142 AromaticContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CD2 3.93Å; Y90-F142 HydrophobicContact CG-CE2 4.01Å; I105-F142 HydrophobicContact CB-CE1 4.31Å; I105-F142 HydrophobicContact CB-CE2 4.22Å; I105-F142 HydrophobicContact CB-CZ 3.83Å; I105-F142 HydrophobicContact CD1-CD2 4.24Å; I105-F142 HydrophobicContact CD1-CE2 3.89Å; I105-F142 HydrophobicContact CD1-CZ 4.39Å; I105-F142 HydrophobicContact CG2-CD1 4.1Å; I105-F142 HydrophobicContact CG2-CE1 3.63Å; I105-F142 HydrophobicContact CG2-CE2 4.14Å; I105-F142 HydrophobicContact CG2-CZ 3.65Å; M106-F142 HydrophobicContact CG-CE1 4.29Å; M106-F142 HydrophobicContact CG-CZ 4.27Å; M106-F142 HydrophobicContact SD-CE1 4.08Å; L110-F142 HydrophobicContact CD1-CD1 4.38Å; L110-F142 HydrophobicContact CD1-CE1 4.05Å; T129-F142 HydrophobicContact CG2-CD1 3.73Å; T129-F142 HydrophobicContact CG2-CE1 3.59Å; T129-F142 HydrophobicContact CG2-CZ 4.38Å; E140-F142 VanDerWaalsContact C-N 3.27Å; E140-F142 PolarHBondContact O-N 2.88Å; E140-F142 VanDerWaalsContact O-N 3.16Å; F142-A144 VanDerWaalsContact C-N 3.31Å; F142-A144 PolarHBondContact O-N 3.42Å; F142-C145 WeakPolarHBondContact O-CA 3.44Å; F142-C145 WeakPolarHBondContact O-CB 3.21Å; F142-C145 PolarHBondContact O-N 2.87Å; F142-A146 PolarHBondContact O-N 3.17Å
143	S	96.1	Very high	95.1	Very high	55 Å²	55	56.3 Å²	56.3	39%	0.385	29%	0.29	S	S	.	.	H	α-helix	trans	-56.7	-43.7	-175.4	-177.2	0	0	0	0	112.2	E140 C145 A146 Q147	E140-S143 VanDerWaalsContact O-CB 3.29Å; E140-S143 WeakPolarHBondContact O-CB 3.1Å; E140-S143 PolarHBondContact O-N 3.06Å; S143-C145 PolarHBondContact O-N 3.34Å; S143-A146 PolarHBondContact O-N 2.8Å; S143-Q147 PolarHBondContact O-N 2.88Å
144	A	97	Very high	95.3	Very high	48 Å²	48	60.9 Å²	60.9	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-36.5	176.2	0	0	0	0	0	113	L125 F142 Q147 S148	L125-A144 HydrophobicContact CD1-CB 4.04Å; L125-A144 HydrophobicContact CD2-CB 4.21Å; L125-A144 HydrophobicContact CG-CB 4.32Å; F142-A144 VanDerWaalsContact C-N 3.31Å; F142-A144 PolarHBondContact O-N 3.42Å; A144-Q147 PolarHBondContact O-N 2.82Å; A144-S148 PolarHBondContact O-N 2.83Å
145	C	97.8	Very high	95.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-45.7	174.4	-62.6	0	0	0	0	110.7	F83 V121 L125 T129 F142 S143 Q147 S148 V149	F83-C145 HydrophobicContact CE1-CB 4.08Å; F83-C145 HydrophobicContact CZ-CB 3.56Å; V121-C145 HydrophobicContact CG1-CB 4.27Å; L125-C145 HydrophobicContact CD2-CB 3.96Å; L125-C145 WeakPolarHBondContact CD2-SG 3.24Å; T129-C145 PolarHBondContact OG1-SG 3.42Å; F142-C145 WeakPolarHBondContact O-CA 3.44Å; F142-C145 WeakPolarHBondContact O-CB 3.21Å; F142-C145 PolarHBondContact O-N 2.87Å; S143-C145 PolarHBondContact O-N 3.34Å; C145-Q147 VanDerWaalsContact C-N 3.34Å; C145-Q147 PolarHBondContact O-N 2.84Å; C145-S148 WeakPolarHBondContact O-CB 3.23Å; C145-S148 PolarHBondContact O-N 2.93Å; C145-V149 WeakPolarHBondContact O-CG2 3.1Å; C145-V149 PolarHBondContact O-N 3.2Å
146	A	97.4	Very high	95.7	Very high	14 Å²	14	55.4 Å²	55.4	12%	0.116	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-44.6	177.8	0	0	0	0	0	111	L84 V87 F142 S143 S148 V149 H150	L84-A146 HydrophobicContact CD2-CB 3.84Å; V87-A146 HydrophobicContact CG1-CB 4.45Å; F142-A146 PolarHBondContact O-N 3.17Å; S143-A146 PolarHBondContact O-N 2.8Å; A146-S148 PolarHBondContact O-N 2.99Å; A146-V149 WeakPolarHBondContact O-CB 3.4Å; A146-V149 PolarHBondContact O-N 3Å; A146-V149 VanDerWaalsContact O-N 3.11Å; A146-H150 PolarHBondContact O-CD2 3.21Å; A146-H150 PolarHBondContact O-N 2.93Å
147	Q	96.9	Very high	96.2	Very high	117 Å²	117	46.9 Å²	46.9	55%	0.547	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-46.3	174.9	-175.8	178.2	-11.8	0	0	112	S143 A144 C145 V149 H150 E151	S143-Q147 PolarHBondContact O-N 2.88Å; A144-Q147 PolarHBondContact O-N 2.82Å; C145-Q147 VanDerWaalsContact C-N 3.34Å; C145-Q147 PolarHBondContact O-N 2.84Å; Q147-V149 VanDerWaalsContact C-N 3.27Å; Q147-V149 PolarHBondContact O-N 3.35Å; Q147-H150 PolarHBondContact O-N 3.37Å; Q147-H150 VanDerWaalsContact O-N 3.12Å; Q147-E151 PolarHBondContact NE2-OE1 3.28Å; Q147-E151 WeakPolarHBondContact O-CG 3.23Å; Q147-E151 PolarHBondContact O-N 3.34Å
148	S	97.6	Very high	96.6	Very high	20 Å²	20	45.8 Å²	45.8	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-38.1	175.5	176.7	0	0	0	0	112.3	Q120 A144 C145 A146 E151 Y152	Q120-S148 PolarHBondContact O-OG 3.26Å; A144-S148 PolarHBondContact O-N 2.83Å; C145-S148 WeakPolarHBondContact O-CB 3.23Å; C145-S148 PolarHBondContact O-N 2.93Å; A146-S148 PolarHBondContact O-N 2.99Å; S148-E151 PolarHBondContact O-N 3Å; S148-Y152 PolarHBondContact O-N 3.44Å; S148-Y152 VanDerWaalsContact O-N 3.1Å
149	V	97.8	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-42.8	174	171.1	0	0	0	0	111.9	Y80 F83 L84 I118 V121 C145 A146 Q147 E151 Y152 L153	Y80-V149 HydrophobicContact CD1-CG1 3.93Å; Y80-V149 HydrophobicContact CD1-CG2 4.21Å; Y80-V149 HydrophobicContact CG-CG1 4.41Å; F83-V149 HydrophobicContact CD1-CG2 3.76Å; F83-V149 HydrophobicContact CE1-CG2 3.84Å; L84-V149 HydrophobicContact CD1-CG1 3.99Å; L84-V149 HydrophobicContact CD2-CB 4.27Å; L84-V149 HydrophobicContact CD2-CG1 4.1Å; L84-V149 HydrophobicContact CG-CG1 3.97Å; I118-V149 HydrophobicContact CD1-CG2 3.88Å; V121-V149 HydrophobicContact CG2-CG2 3.76Å; C145-V149 WeakPolarHBondContact O-CG2 3.1Å; C145-V149 PolarHBondContact O-N 3.2Å; A146-V149 WeakPolarHBondContact O-CB 3.4Å; A146-V149 PolarHBondContact O-N 3Å; A146-V149 VanDerWaalsContact O-N 3.11Å; Q147-V149 VanDerWaalsContact C-N 3.27Å; Q147-V149 PolarHBondContact O-N 3.35Å; V149-E151 VanDerWaalsContact C-N 3.3Å; V149-E151 PolarHBondContact O-N 3.12Å; V149-Y152 PolarHBondContact O-N 3.15Å; V149-L153 HydrophobicContact CG1-CD1 3.82Å; V149-L153 HydrophobicContact CG1-CG 4.23Å; V149-L153 WeakPolarHBondContact O-CG 3.27Å; V149-L153 PolarHBondContact O-N 3.45Å
150	H	97.6	Very high	97.3	Very high	53 Å²	53	50 Å²	50	25%	0.245	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-35.4	174.6	-78.1	-82.3	0	0	0	112.4	Y53 A146 Q147 Y152 L153 R154	Y53-H150 HydrophobicContact CE1-CB 4.18Å; Y53-H150 AromaticContact CE1-ND1 3.58Å; Y53-H150 AromaticContact CZ-ND1 3.85Å; Y53-H150 PolarHBondContact OH-ND1 2.93Å; A146-H150 PolarHBondContact O-CD2 3.21Å; A146-H150 PolarHBondContact O-N 2.93Å; Q147-H150 PolarHBondContact O-N 3.37Å; Q147-H150 VanDerWaalsContact O-N 3.12Å; H150-Y152 VanDerWaalsContact C-N 3.32Å; H150-L153 PolarHBondContact O-N 2.89Å; H150-R154 WeakPolarHBondContact O-CB 3.47Å; H150-R154 WeakPolarHBondContact O-CG 3.45Å; H150-R154 PolarHBondContact O-N 3.39Å
151	E	97.4	Very high	97.5	Very high	107 Å²	107	45.9 Å²	45.9	50%	0.5	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-34.3	174	-74.7	172.6	-170	0	0	112.9	Q147 S148 V149 R154	Q147-E151 PolarHBondContact NE2-OE1 3.28Å; Q147-E151 WeakPolarHBondContact O-CG 3.23Å; Q147-E151 PolarHBondContact O-N 3.34Å; S148-E151 PolarHBondContact O-N 3Å; V149-E151 VanDerWaalsContact C-N 3.3Å; V149-E151 PolarHBondContact O-N 3.12Å; E151-R154 WeakPolarHBondContact O-CG 3.43Å
152	Y	97.6	Very high	97.6	Very high	66 Å²	66	46 Å²	46	26%	0.259	23%	0.233	S	C	.	.	H	α-helix	trans	-70.6	-51	170.4	168.6	-113.6	0	0	0	111.9	L77 Y80 Q120 S148 V149 H150 R154 G155 P157	L77-Y152 HydrophobicContact CD2-CE1 4.13Å; Y80-Y152 AromaticContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CD1 3.92Å; Y80-Y152 HydrophobicContact CD1-CE1 4.21Å; Y80-Y152 HydrophobicContact CD2-CD1 4.48Å; Y80-Y152 AromaticContact CD2-CE1 3.99Å; Y80-Y152 HydrophobicContact CD2-CE1 3.99Å; Y80-Y152 AromaticContact CE1-CD1 3.7Å; Y80-Y152 HydrophobicContact CE1-CD1 3.7Å; Y80-Y152 AromaticContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE1-CE1 3.86Å; Y80-Y152 HydrophobicContact CE2-CD1 4.31Å; Y80-Y152 AromaticContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CE2-CE1 3.64Å; Y80-Y152 HydrophobicContact CG-CD1 4.3Å; Y80-Y152 HydrophobicContact CG-CE1 4.26Å; Y80-Y152 AromaticContact CZ-CD1 3.92Å; Y80-Y152 AromaticContact CZ-CE1 3.57Å; Q120-Y152 HydrophobicContact CB-CD1 4.45Å; Q120-Y152 HydrophobicContact CB-CD2 4.32Å; Q120-Y152 HydrophobicContact CB-CG 4.02Å; Q120-Y152 HydrophobicContact CG-CD1 3.95Å; Q120-Y152 HydrophobicContact CG-CD2 3.55Å; Q120-Y152 HydrophobicContact CG-CE1 4.22Å; Q120-Y152 HydrophobicContact CG-CE2 3.85Å; Q120-Y152 HydrophobicContact CG-CG 3.6Å; S148-Y152 PolarHBondContact O-N 3.44Å; S148-Y152 VanDerWaalsContact O-N 3.1Å; V149-Y152 PolarHBondContact O-N 3.15Å; H150-Y152 VanDerWaalsContact C-N 3.32Å; Y152-R154 PolarHBondContact O-N 2.74Å; Y152-G155 PolarHBondContact O-N 3.37Å; Y152-P157 HydrophobicContact CE1-CG 4.01Å; Y152-P157 HydrophobicContact CE2-CG 4.28Å
153	L	97.9	Very high	97.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-30	-175	-70.9	174.5	0	0	0	112.9	Y53 F67 I81 L84 V149 H150 G155 P157 F158	Y53-L153 HydrophobicContact CE2-CB 3.99Å; Y53-L153 VanDerWaalsContact OH-CB 3.23Å; Y53-L153 WeakPolarHBondContact OH-CB 3.48Å; F67-L153 HydrophobicContact CE1-CB 4.47Å; F67-L153 HydrophobicContact CE1-CD1 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.36Å; F67-L153 HydrophobicContact CZ-CD2 4.43Å; I81-L153 HydrophobicContact CD1-CD1 4.2Å; L84-L153 HydrophobicContact CD1-CD1 4.01Å; V149-L153 HydrophobicContact CG1-CD1 3.82Å; V149-L153 HydrophobicContact CG1-CG 4.23Å; V149-L153 WeakPolarHBondContact O-CG 3.27Å; V149-L153 PolarHBondContact O-N 3.45Å; H150-L153 PolarHBondContact O-N 2.89Å; L153-G155 PolarHBondContact O-N 2.81Å; L153-P157 HydrophobicContact CD2-CB 4.31Å; L153-P157 HydrophobicContact CD2-CG 4.48Å; L153-F158 VanDerWaalsContact O-CB 3.26Å; L153-F158 WeakPolarHBondContact O-CB 3.45Å; L153-F158 PolarHBondContact O-N 2.84Å; L153-F158 VanDerWaalsContact O-N 3.1Å
154	R	97.7	Very high	97.6	Very high	114 Å²	114	50.9 Å²	50.9	43%	0.43	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.4	175.7	77.9	-170.3	-49.8	-179.9	9	114.7	Y53 H150 E151 Y152	Y53-R154 HydrophobicContact CD1-CB 3.49Å; Y53-R154 VanDerWaalsContact CD1-CB 3.49Å; Y53-R154 HydrophobicContact CD2-CB 3.95Å; Y53-R154 HydrophobicContact CE1-CB 4.06Å; Y53-R154 HydrophobicContact CE2-CB 4.48Å; Y53-R154 HydrophobicContact CG-CB 3.41Å; Y53-R154 VanDerWaalsContact CG-CB 3.41Å; H150-R154 WeakPolarHBondContact O-CB 3.47Å; H150-R154 WeakPolarHBondContact O-CG 3.45Å; H150-R154 PolarHBondContact O-N 3.39Å; E151-R154 WeakPolarHBondContact O-CG 3.43Å; Y152-R154 PolarHBondContact O-N 2.74Å
155	G	97.4	Very high	97.6	Very high	26 Å²	26	50 Å²	50	27%	0.268	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-130	176.6	0	0	0	0	0	112.3	Y152 L153 P157 F158 H159	Y152-G155 PolarHBondContact O-N 3.37Å; L153-G155 PolarHBondContact O-N 2.81Å; G155-P157 VanDerWaalsContact C-CD 3.43Å; G155-F158 PolarHBondContact O-N 2.78Å; G155-H159 PolarHBondContact O-N 2.73Å; G155-H159 PolarHBondContact O-ND1 2.66Å
156	E	96.9	Very high	97.6	Very high	135 Å²	135	51.6 Å²	51.6	63%	0.631	25%	0.251	S	S	*	.	H	α-helix	trans	-51.6	-43.7	179.7	-66.2	-60.2	127.4	0	0	114.3	F158 H159 E160	E156-F158 VanDerWaalsContact C-N 3.25Å; E156-F158 PolarHBondContact O-N 2.64Å; E156-H159 PolarHBondContact O-N 2.85Å; E156-E160 WeakPolarHBondContact O-CG 3.14Å; E156-E160 PolarHBondContact O-N 3.38Å
157	P	98.1	Very high	97.7	Very high	4 Å²	4	51 Å²	51	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-37.1	-180	-25.8	36.2	0	0	0	113.4	F70 L77 Y152 L153 G155 Y161	F70-P157 WeakPolarHBondContact CE1-O 3.38Å; L77-P157 HydrophobicContact CD1-CB 4.03Å; L77-P157 HydrophobicContact CD2-CB 3.87Å; L77-P157 HydrophobicContact CD2-CG 3.73Å; Y152-P157 HydrophobicContact CE1-CG 4.01Å; Y152-P157 HydrophobicContact CE2-CG 4.28Å; L153-P157 HydrophobicContact CD2-CB 4.31Å; L153-P157 HydrophobicContact CD2-CG 4.48Å; G155-P157 VanDerWaalsContact C-CD 3.43Å; P157-Y161 PolarHBondContact O-N 2.63Å
158	F	98.5	Very high	97.8	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-39.9	176.1	176.6	-124.2	0	0	0	112.3	R51 Y53 L56 C57 L153 G155 E156 Y161 L162	R51-F158 WeakPolarHBondContact O-CE1 3.36Å; Y53-F158 HydrophobicContact CD2-CB 3.98Å; Y53-F158 AromaticContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CD2 3.84Å; Y53-F158 HydrophobicContact CD2-CE2 4.47Å; Y53-F158 AromaticContact CD2-CG 3.88Å; Y53-F158 HydrophobicContact CD2-CG 3.88Å; L56-F158 HydrophobicContact CB-CE2 4.38Å; L56-F158 HydrophobicContact CD1-CE2 4.25Å; L56-F158 HydrophobicContact CD1-CZ 4.01Å; C57-F158 VanDerWaalsContact SG-CD2 3.51Å; C57-F158 VanDerWaalsContact SG-CE2 3.52Å; L153-F158 VanDerWaalsContact O-CB 3.26Å; L153-F158 WeakPolarHBondContact O-CB 3.45Å; L153-F158 PolarHBondContact O-N 2.84Å; L153-F158 VanDerWaalsContact O-N 3.1Å; G155-F158 PolarHBondContact O-N 2.78Å; E156-F158 VanDerWaalsContact C-N 3.25Å; E156-F158 PolarHBondContact O-N 2.64Å; F158-Y161 HydrophobicContact CD2-CD1 4.01Å; F158-Y161 HydrophobicContact CE2-CD1 4.13Å; F158-Y161 WeakPolarHBondContact O-CB 3.31Å; F158-Y161 PolarHBondContact O-N 3.27Å; F158-L162 HydrophobicContact CD1-CD1 4.27Å; F158-L162 HydrophobicContact CD2-CG 4.35Å; F158-L162 HydrophobicContact CE1-CD1 3.83Å; F158-L162 HydrophobicContact CE1-CG 4.43Å; F158-L162 HydrophobicContact CE2-CD1 4.29Å; F158-L162 HydrophobicContact CE2-CD2 3.85Å; F158-L162 HydrophobicContact CE2-CG 4.01Å; F158-L162 HydrophobicContact CZ-CD1 3.84Å; F158-L162 HydrophobicContact CZ-CD2 3.92Å; F158-L162 HydrophobicContact CZ-CG 4.06Å; F158-L162 WeakPolarHBondContact O-CG 3.48Å; F158-L162 PolarHBondContact O-N 2.83Å
159	H	98.1	Very high	97.8	Very high	98 Å²	98	45.6 Å²	45.6	45%	0.454	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-44.9	175.9	-68.2	87.7	0	0	0	111.5	G155 E156 Y161 L162 D163	G155-H159 PolarHBondContact O-N 2.73Å; G155-H159 PolarHBondContact O-ND1 2.66Å; E156-H159 PolarHBondContact O-N 2.85Å; H159-Y161 PolarHBondContact O-N 3.15Å; H159-L162 WeakPolarHBondContact O-CB 3.44Å; H159-L162 PolarHBondContact O-N 2.93Å; H159-L162 VanDerWaalsContact O-N 3.13Å; H159-D163 PolarHBondContact O-N 3.39Å
160	E	98.2	Very high	97.8	Very high	89 Å²	89	45.6 Å²	45.6	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-32.3	175.1	-67.7	177.8	164.8	0	0	112.3	F70 R74 E156 S164	F70-E160 VanDerWaalsContact CZ-C 3.44Å; F70-E160 HydrophobicContact CZ-CB 3.8Å; R74-E160 IonicContact CZ-OE2 3.56Å; R74-E160 IonicContact NH1-OE2 2.71Å; R74-E160 PolarHBondContact NH1-OE2 2.94Å; R74-E160 IonicContact NH2-OE2 3.45Å; E156-E160 WeakPolarHBondContact O-CG 3.14Å; E156-E160 PolarHBondContact O-N 3.38Å; E160-S164 PolarHBondContact O-N 3.25Å
161	Y	98.4	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-45	173.6	163.3	-108.4	0	0	0	111.3	L66 F67 F70 P157 F158 H159 D163 S164 F167	L66-Y161 HydrophobicContact CB-CE2 4.43Å; F67-Y161 HydrophobicContact CB-CE2 4.33Å; F67-Y161 AromaticContact CD2-CD1 3.89Å; F67-Y161 HydrophobicContact CD2-CD1 3.89Å; F67-Y161 AromaticContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CD2 3.89Å; F67-Y161 HydrophobicContact CD2-CE1 4.43Å; F67-Y161 HydrophobicContact CD2-CE2 4.45Å; F67-Y161 AromaticContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CD2-CG 3.57Å; F67-Y161 HydrophobicContact CE2-CG 4.15Å; F70-Y161 HydrophobicContact CB-CD2 4.01Å; F70-Y161 HydrophobicContact CD1-CD2 4.2Å; F70-Y161 HydrophobicContact CD1-CG 4.48Å; F70-Y161 HydrophobicContact CD2-CD2 4.39Å; F70-Y161 AromaticContact CG-CD2 3.97Å; F70-Y161 HydrophobicContact CG-CD2 3.97Å; P157-Y161 PolarHBondContact O-N 2.63Å; F158-Y161 HydrophobicContact CD2-CD1 4.01Å; F158-Y161 HydrophobicContact CE2-CD1 4.13Å; F158-Y161 WeakPolarHBondContact O-CB 3.31Å; F158-Y161 PolarHBondContact O-N 3.27Å; H159-Y161 PolarHBondContact O-N 3.15Å; Y161-D163 PolarHBondContact O-N 3.44Å; Y161-S164 VanDerWaalsContact O-CB 3.3Å; Y161-S164 WeakPolarHBondContact O-CB 3.3Å; Y161-S164 PolarHBondContact O-N 2.97Å; Y161-S164 PolarHBondContact O-OG 3.21Å; Y161-F167 HydrophobicContact CD1-CD2 4.43Å; Y161-F167 HydrophobicContact CE1-CB 4.23Å; Y161-F167 AromaticContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CG 4.36Å; Y161-F167 HydrophobicContact CE2-CB 4.23Å; Y161-F167 AromaticContact CZ-CD2 3.95Å; Y161-F167 WeakPolarHBondContact O-CB 3.24Å
162	L	98.3	Very high	97.9	Very high	9 Å²	9	38 Å²	38	5%	0.047	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-27	179.5	-66.9	175.9	0	0	0	113	R51 L56 F158 H159 F167	R51-L162 HydrophobicContact CB-CD1 4.38Å; R51-L162 HydrophobicContact CG-CD1 4.42Å; L56-L162 HydrophobicContact CD1-CD2 4.27Å; F158-L162 HydrophobicContact CD1-CD1 4.27Å; F158-L162 HydrophobicContact CD2-CG 4.35Å; F158-L162 HydrophobicContact CE1-CD1 3.83Å; F158-L162 HydrophobicContact CE1-CG 4.43Å; F158-L162 HydrophobicContact CE2-CD1 4.29Å; F158-L162 HydrophobicContact CE2-CD2 3.85Å; F158-L162 HydrophobicContact CE2-CG 4.01Å; F158-L162 HydrophobicContact CZ-CD1 3.84Å; F158-L162 HydrophobicContact CZ-CD2 3.92Å; F158-L162 HydrophobicContact CZ-CG 4.06Å; F158-L162 WeakPolarHBondContact O-CG 3.48Å; F158-L162 PolarHBondContact O-N 2.83Å; H159-L162 WeakPolarHBondContact O-CB 3.44Å; H159-L162 PolarHBondContact O-N 2.93Å; H159-L162 VanDerWaalsContact O-N 3.13Å; L162-F167 HydrophobicContact CB-CD1 4.49Å; L162-F167 HydrophobicContact CD2-CD1 4.15Å; L162-F167 HydrophobicContact CD2-CD2 3.75Å; L162-F167 HydrophobicContact CD2-CE1 3.94Å; L162-F167 HydrophobicContact CD2-CE2 3.55Å; L162-F167 HydrophobicContact CD2-CG 4.04Å; L162-F167 HydrophobicContact CD2-CZ 3.64Å; L162-F167 WeakPolarHBondContact O-CD1 3.17Å
163	D	96.9	Very high	98	Very high	142 Å²	142	35 Å²	35	76%	0.759	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	0.1	176	-68.9	-28.1	0	0	0	113.7	H159 Y161	H159-D163 PolarHBondContact O-N 3.39Å; Y161-D163 PolarHBondContact O-N 3.44Å
164	S	97.1	Very high	98	Very high	17 Å²	17	35.7 Å²	35.7	12%	0.119	18%	0.175	C	C	.	.	S	Bend	trans	-93	162.3	-176.3	81.1	0	0	0	0	113.7	E160 Y161 Y166 F167 D168	E160-S164 PolarHBondContact O-N 3.25Å; Y161-S164 VanDerWaalsContact O-CB 3.3Å; Y161-S164 WeakPolarHBondContact O-CB 3.3Å; Y161-S164 PolarHBondContact O-N 2.97Å; Y161-S164 PolarHBondContact O-OG 3.21Å; S164-Y166 PolarHBondContact O-N 2.97Å; S164-Y166 VanDerWaalsContact O-N 3.17Å; S164-Y166 PolarHBondContact OG-N 3.49Å; S164-F167 PolarHBondContact O-N 2.96Å; S164-D168 PolarHBondContact O-N 2.89Å
165	M	96.6	Very high	98.1	Very high	31 Å²	31	33.2 Å²	33.2	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-19.7	172.6	72.8	173.2	-161.7	0	0	113.7	D168 R169 F527 G531 L533	M165-D168 WeakPolarHBondContact O-CB 3.27Å; M165-D168 PolarHBondContact O-N 3.3Å; M165-R169 WeakPolarHBondContact O-CB 3.42Å; M165-R169 PolarHBondContact O-N 2.96Å; M165-F527 HydrophobicContact CE-CB 4.22Å; M165-F527 HydrophobicContact CE-CD1 3.44Å; M165-F527 VanDerWaalsContact CE-CD1 3.44Å; M165-F527 HydrophobicContact CE-CD2 4.39Å; M165-F527 HydrophobicContact CE-CE1 3.8Å; M165-F527 HydrophobicContact CE-CG 3.77Å; M165-F527 HydrophobicContact CE-CZ 4.42Å; M165-F527 HydrophobicContact CG-CD1 4.47Å; M165-F527 HydrophobicContact CG-CE1 4.18Å; M165-F527 HydrophobicContact SD-CD1 3.89Å; M165-F527 HydrophobicContact SD-CE1 4.2Å; M165-G531 VanDerWaalsContact CE-O 3.29Å; M165-G531 WeakPolarHBondContact CE-O 3.38Å; M165-L533 HydrophobicContact CB-CD2 3.62Å; M165-L533 HydrophobicContact CG-CD2 4.41Å; M165-L533 HydrophobicContact SD-CD2 3.92Å
166	Y	98.1	Very high	98.1	Very high	32 Å²	32	32.5 Å²	32.5	13%	0.125	16%	0.156	C	C	.	.	H	α-helix	trans	-71	-37.6	177.1	-62.6	-85.7	0	0	0	111	L66 Q69 F70 T73 S164 R169 F170 F527	L66-Y166 HydrophobicContact CD2-CD1 4.44Å; Q69-Y166 HydrophobicContact CB-CD1 3.97Å; Q69-Y166 HydrophobicContact CB-CE1 3.78Å; F70-Y166 HydrophobicContact CB-CD1 4.49Å; F70-Y166 HydrophobicContact CB-CD2 3.71Å; F70-Y166 HydrophobicContact CB-CE2 4.22Å; F70-Y166 HydrophobicContact CB-CG 3.86Å; F70-Y166 AromaticContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CD2 3.88Å; F70-Y166 HydrophobicContact CD2-CE2 4.39Å; F70-Y166 HydrophobicContact CG-CD2 4.32Å; T73-Y166 HydrophobicContact CG2-CE2 4.35Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.49Å; S164-Y166 PolarHBondContact O-N 2.97Å; S164-Y166 VanDerWaalsContact O-N 3.17Å; S164-Y166 PolarHBondContact OG-N 3.49Å; Y166-R169 PolarHBondContact O-N 3.21Å; Y166-F170 PolarHBondContact O-N 3.34Å; Y166-F527 HydrophobicContact CD1-CE2 4.14Å; Y166-F527 AromaticContact CD1-CZ 3.79Å; Y166-F527 HydrophobicContact CD1-CZ 3.79Å; Y166-F527 AromaticContact CE1-CE2 3.95Å; Y166-F527 HydrophobicContact CE1-CE2 3.95Å; Y166-F527 AromaticContact CE1-CZ 3.98Å; Y166-F527 HydrophobicContact CE1-CZ 3.98Å
167	F	98.4	Very high	98.2	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.013	13%	0.127	C	C	.	.	H	α-helix	trans	-70.9	-36.2	172	-174.6	-113.9	0	0	0	111.7	I49 L56 Y161 L162 S164 R169 F170 L171	I49-F167 HydrophobicContact CG2-CZ 4.08Å; L56-F167 HydrophobicContact CD1-CE2 4.11Å; Y161-F167 HydrophobicContact CD1-CD2 4.43Å; Y161-F167 HydrophobicContact CE1-CB 4.23Å; Y161-F167 AromaticContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CD2 3.69Å; Y161-F167 HydrophobicContact CE1-CG 4.36Å; Y161-F167 HydrophobicContact CE2-CB 4.23Å; Y161-F167 AromaticContact CZ-CD2 3.95Å; Y161-F167 WeakPolarHBondContact O-CB 3.24Å; L162-F167 HydrophobicContact CB-CD1 4.49Å; L162-F167 HydrophobicContact CD2-CD1 4.15Å; L162-F167 HydrophobicContact CD2-CD2 3.75Å; L162-F167 HydrophobicContact CD2-CE1 3.94Å; L162-F167 HydrophobicContact CD2-CE2 3.55Å; L162-F167 HydrophobicContact CD2-CG 4.04Å; L162-F167 HydrophobicContact CD2-CZ 3.64Å; L162-F167 WeakPolarHBondContact O-CD1 3.17Å; S164-F167 PolarHBondContact O-N 2.96Å; F167-R169 VanDerWaalsContact C-N 3.28Å; F167-R169 PolarHBondContact O-N 3.27Å; F167-F170 HydrophobicContact CD2-CB 4.33Å; F167-F170 AromaticContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CG 4.47Å; F167-F170 AromaticContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CE1 4.23Å; F167-F170 WeakPolarHBondContact O-CA 3.32Å; F167-F170 WeakPolarHBondContact O-CB 3.14Å; F167-F170 PolarHBondContact O-N 3.02Å; F167-F170 VanDerWaalsContact O-N 3.08Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD1-CG 4.39Å; F167-L171 HydrophobicContact CE1-CD1 3.92Å; F167-L171 HydrophobicContact CE1-CD2 4.22Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CZ-CD2 4Å; F167-L171 HydrophobicContact CZ-CG 4.28Å; F167-L171 WeakPolarHBondContact O-CG 3.27Å; F167-L171 PolarHBondContact O-N 3.07Å
168	D	98.3	Very high	98.1	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.112	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-43.2	171.5	-73.7	7.8	0	0	0	111.6	I39 R46 S164 M165 L171 Q172 L537	I39-D168 HydrophobicContact CD1-CB 3.65Å; I39-D168 WeakPolarHBondContact CD1-O 3.37Å; I39-D168 HydrophobicContact CG1-CB 4.2Å; R46-D168 IonicContact CZ-OD1 2.87Å; R46-D168 IonicContact NH1-OD1 2.78Å; R46-D168 PolarHBondContact NH1-OD1 2.77Å; R46-D168 VanDerWaalsContact NH2-CG 3.27Å; R46-D168 IonicContact NH2-OD1 3.98Å; R46-D168 PolarHBondContact NH2-OD1 2.75Å; R46-D168 IonicContact NH2-OD2 2.63Å; S164-D168 PolarHBondContact O-N 2.89Å; M165-D168 WeakPolarHBondContact O-CB 3.27Å; M165-D168 PolarHBondContact O-N 3.3Å; D168-L171 WeakPolarHBondContact O-CB 3.37Å; D168-L171 PolarHBondContact O-N 2.89Å; D168-Q172 PolarHBondContact O-N 3.17Å; D168-Q172 VanDerWaalsContact O-N 3.16Å; D168-L537 HydrophobicContact CB-CD2 3.74Å
169	R	98.4	Very high	98.1	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-38.8	173.3	178.1	51.6	60.6	84.9	-6.5	112.3	L66 M165 Y166 F167 L171 Q172 W173 N525 V526 F527 S534 D536	L66-R169 HydrophobicContact CD1-CG 4.31Å; L66-R169 HydrophobicContact CD2-CB 4.33Å; L66-R169 HydrophobicContact CD2-CG 3.86Å; M165-R169 WeakPolarHBondContact O-CB 3.42Å; M165-R169 PolarHBondContact O-N 2.96Å; Y166-R169 PolarHBondContact O-N 3.21Å; F167-R169 VanDerWaalsContact C-N 3.28Å; F167-R169 PolarHBondContact O-N 3.27Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 2.97Å; R169-Q172 PolarHBondContact O-N 2.96Å; R169-W173 VanDerWaalsContact O-CD1 3.3Å; R169-W173 PolarHBondContact O-N 3.36Å; R169-N525 VanDerWaalsContact CD-OD1 3.31Å; R169-N525 WeakPolarHBondContact CD-OD1 3.48Å; R169-N525 WeakPolarHBondContact CG-OD1 3.15Å; R169-N525 PolarHBondContact NH1-OD1 3.1Å; R169-V526 PolarHBondContact NH1-O 2.97Å; R169-V526 PolarHBondContact NH2-O 3.25Å; R169-F527 HydrophobicContact CB-CE1 3.98Å; R169-F527 HydrophobicContact CB-CZ 3.96Å; R169-F527 HydrophobicContact CG-CE1 4.24Å; R169-F527 HydrophobicContact CG-CZ 3.91Å; R169-S534 PolarHBondContact NH2-OG 3.06Å; R169-D536 IonicContact NH2-OD2 3.6Å; R169-D536 PolarHBondContact NH2-OD2 3.17Å
170	F	98.7	Very high	98	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-41.4	173.1	173.6	-98.7	0	0	0	111.4	I49 L56 I62 L66 Y166 F167 Q172 W173 K174	I49-F170 HydrophobicContact CD1-CD1 4.48Å; I49-F170 HydrophobicContact CD1-CE1 3.58Å; I49-F170 HydrophobicContact CD1-CZ 4.37Å; L56-F170 HydrophobicContact CD2-CD1 4.48Å; L56-F170 HydrophobicContact CD2-CE1 3.46Å; L56-F170 VanDerWaalsContact CD2-CE1 3.46Å; L56-F170 HydrophobicContact CD2-CZ 3.55Å; I62-F170 HydrophobicContact CG2-CD2 4.37Å; L66-F170 VanDerWaalsContact CD1-CA 3.49Å; L66-F170 HydrophobicContact CD1-CB 3.61Å; L66-F170 HydrophobicContact CD1-CD2 4.26Å; L66-F170 HydrophobicContact CD1-CG 4.45Å; Y166-F170 PolarHBondContact O-N 3.34Å; F167-F170 HydrophobicContact CD2-CB 4.33Å; F167-F170 AromaticContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CD1 3.93Å; F167-F170 HydrophobicContact CD2-CG 4.47Å; F167-F170 AromaticContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CE1 4.23Å; F167-F170 WeakPolarHBondContact O-CA 3.32Å; F167-F170 WeakPolarHBondContact O-CB 3.14Å; F167-F170 PolarHBondContact O-N 3.02Å; F167-F170 VanDerWaalsContact O-N 3.08Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 3.06Å; F170-W173 WeakPolarHBondContact O-CB 3.43Å; F170-W173 PolarHBondContact O-N 3.24Å; F170-K174 HydrophobicContact CZ-CD 4.36Å; F170-K174 WeakPolarHBondContact O-CB 3.34Å; F170-K174 PolarHBondContact O-N 2.87Å
171	L	98.6	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-35.4	177	-65.9	172.8	0	0	0	112.8	C42 L45 R46 I49 F167 D168 R169 K174 W175	C42-L171 HydrophobicContact CB-CB 4.01Å; L45-L171 HydrophobicContact CB-CD2 4.42Å; R46-L171 HydrophobicContact CB-CD1 3.79Å; R46-L171 HydrophobicContact CG-CD1 4Å; R46-L171 VanDerWaalsContact CZ-CD1 3.47Å; I49-L171 HydrophobicContact CD1-CD2 4.28Å; I49-L171 HydrophobicContact CG2-CD2 4.28Å; F167-L171 HydrophobicContact CD1-CD1 4.16Å; F167-L171 HydrophobicContact CD1-CG 4.39Å; F167-L171 HydrophobicContact CE1-CD1 3.92Å; F167-L171 HydrophobicContact CE1-CD2 4.22Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CZ-CD2 4Å; F167-L171 HydrophobicContact CZ-CG 4.28Å; F167-L171 WeakPolarHBondContact O-CG 3.27Å; F167-L171 PolarHBondContact O-N 3.07Å; D168-L171 WeakPolarHBondContact O-CB 3.37Å; D168-L171 PolarHBondContact O-N 2.89Å; R169-L171 VanDerWaalsContact C-N 3.29Å; R169-L171 PolarHBondContact O-N 2.97Å; L171-K174 PolarHBondContact O-N 3.47Å; L171-W175 WeakPolarHBondContact O-CB 3.5Å; L171-W175 PolarHBondContact O-N 3.05Å
172	Q	98.6	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-41.8	172.5	-67.6	175.9	-50.1	0	0	111.9	F36 P37 I39 D168 R169 F170 K174 W175 L176 D536 L537	F36-Q172 HydrophobicContact CB-CB 4.39Å; F36-Q172 HydrophobicContact CD1-CB 3.64Å; F36-Q172 HydrophobicContact CE1-CB 4.16Å; F36-Q172 HydrophobicContact CG-CB 4.16Å; P37-Q172 HydrophobicContact CG-CB 4.38Å; P37-Q172 HydrophobicContact CG-CG 4.31Å; P37-Q172 PolarHBondContact O-NE2 3.07Å; I39-Q172 HydrophobicContact CD1-CG 4.4Å; D168-Q172 PolarHBondContact O-N 3.17Å; D168-Q172 VanDerWaalsContact O-N 3.16Å; R169-Q172 PolarHBondContact O-N 2.96Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 3.06Å; Q172-K174 VanDerWaalsContact C-N 3.35Å; Q172-W175 WeakPolarHBondContact O-CB 3.17Å; Q172-W175 PolarHBondContact O-N 2.87Å; Q172-L176 PolarHBondContact O-N 3Å; Q172-L176 VanDerWaalsContact O-N 3.09Å; Q172-D536 PolarHBondContact NE2-O 3.22Å; Q172-D536 PolarHBondContact NE2-OD2 3.25Å; Q172-D536 PolarHBondContact OE1-OD2 3.13Å; Q172-L537 HydrophobicContact CG-CD2 4.46Å; Q172-L537 VanDerWaalsContact OE1-CD2 3.26Å
173	W	98.7	Very high	97.7	Very high	3 Å²	3	43.6 Å²	43.6	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-43.5	172.2	-81.7	110.7	0	0	0	111.8	F36 I62 R169 F170 W175 L176 E177 W511 M515 F521 L524 N525	F36-W173 AromaticContact CE1-CD2 3.73Å; F36-W173 HydrophobicContact CE1-CD2 3.73Å; F36-W173 AromaticContact CE1-CE2 3.64Å; F36-W173 HydrophobicContact CE1-CE3 4.23Å; F36-W173 HydrophobicContact CE1-CG 4.01Å; F36-W173 HydrophobicContact CE1-CH2 4.47Å; F36-W173 HydrophobicContact CE1-CZ2 4.03Å; F36-W173 AromaticContact CE1-NE1 3.87Å; F36-W173 HydrophobicContact CZ-CD2 4.02Å; F36-W173 AromaticContact CZ-CE2 3.4Å; F36-W173 VanDerWaalsContact CZ-CE2 3.4Å; F36-W173 HydrophobicContact CZ-CG 4.42Å; F36-W173 HydrophobicContact CZ-CH2 4.28Å; F36-W173 AromaticContact CZ-CZ2 3.55Å; F36-W173 HydrophobicContact CZ-CZ2 3.55Å; F36-W173 AromaticContact CZ-NE1 3.51Å; I62-W173 HydrophobicContact CD1-CD2 3.82Å; I62-W173 HydrophobicContact CD1-CE3 3.72Å; I62-W173 HydrophobicContact CD1-CG 4.19Å; I62-W173 HydrophobicContact CD1-CZ3 4.25Å; I62-W173 HydrophobicContact CG2-CB 4.01Å; I62-W173 HydrophobicContact CG2-CD2 4.41Å; I62-W173 HydrophobicContact CG2-CG 3.82Å; R169-W173 VanDerWaalsContact O-CD1 3.3Å; R169-W173 PolarHBondContact O-N 3.36Å; F170-W173 WeakPolarHBondContact O-CB 3.43Å; F170-W173 PolarHBondContact O-N 3.24Å; W173-W175 VanDerWaalsContact C-N 3.27Å; W173-W175 PolarHBondContact O-N 2.84Å; W173-L176 HydrophobicContact CE3-CD1 4.28Å; W173-L176 HydrophobicContact CZ3-CD1 4.37Å; W173-L176 WeakPolarHBondContact O-CB 3.46Å; W173-L176 PolarHBondContact O-N 2.99Å; W173-E177 PolarHBondContact O-N 3.08Å; W173-W511 AromaticContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CZ3 4.07Å; W173-W511 HydrophobicContact CZ3-CH2 4.2Å; W173-M515 HydrophobicContact CE3-CG 4.47Å; W173-M515 HydrophobicContact CZ3-CB 4.1Å; W173-M515 HydrophobicContact CZ3-CG 3.89Å; W173-M515 HydrophobicContact CZ3-SD 4.29Å; W173-F521 HydrophobicContact CD2-CD2 4.32Å; W173-F521 AromaticContact CE2-CD2 3.54Å; W173-F521 AromaticContact CE2-CE2 3.94Å; W173-F521 HydrophobicContact CH2-CB 4.33Å; W173-F521 HydrophobicContact CH2-CD2 4.27Å; W173-F521 HydrophobicContact CZ2-CB 4.26Å; W173-F521 AromaticContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CE2 4.29Å; W173-F521 HydrophobicContact CZ2-CG 4.27Å; W173-F521 AromaticContact NE1-CD2 3.67Å; W173-F521 AromaticContact NE1-CE2 3.55Å; W173-L524 HydrophobicContact CH2-CB 4.15Å; W173-L524 HydrophobicContact CH2-CD1 4.15Å; W173-L524 HydrophobicContact CZ2-CB 4.14Å; W173-N525 HydrophobicContact CZ2-CB 4.21Å
174	K	98.4	Very high	97.7	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-35.9	176.8	-161	63.1	165.7	177	0	111.9	I49 F170 L171 Q172 E177 R178 S508	I49-K174 HydrophobicContact CD1-CG 4.22Å; F170-K174 HydrophobicContact CZ-CD 4.36Å; F170-K174 WeakPolarHBondContact O-CB 3.34Å; F170-K174 PolarHBondContact O-N 2.87Å; L171-K174 PolarHBondContact O-N 3.47Å; Q172-K174 VanDerWaalsContact C-N 3.35Å; K174-E177 WeakPolarHBondContact CD-OE1 3.43Å; K174-E177 VanDerWaalsContact CE-OE1 3.27Å; K174-E177 WeakPolarHBondContact CE-OE1 3.46Å; K174-E177 IonicContact NZ-OE1 3.2Å; K174-E177 PolarHBondContact NZ-OE1 3.35Å; K174-E177 IonicContact NZ-OE2 2.73Å; K174-E177 WeakPolarHBondContact O-CB 3.37Å; K174-E177 PolarHBondContact O-N 3.42Å; K174-R178 WeakPolarHBondContact O-CG 3.19Å; K174-R178 PolarHBondContact O-N 3.35Å; K174-R178 VanDerWaalsContact O-N 3.15Å; K174-S508 PolarHBondContact NZ-OG 3.1Å
175	W	98.4	Very high	97.8	Very high	63 Å²	63	42.8 Å²	42.8	24%	0.239	21%	0.208	C	C	.	.	H	α-helix	trans	-65	-41.5	174.5	-172.4	97.8	0	0	0	112.3	P37 L45 L171 Q172 W173 R178 Q179	P37-W175 HydrophobicContact CB-CD2 3.84Å; P37-W175 HydrophobicContact CB-CE3 3.91Å; P37-W175 HydrophobicContact CB-CG 4.31Å; P37-W175 HydrophobicContact CB-CH2 4.43Å; P37-W175 HydrophobicContact CB-CZ2 4.35Å; P37-W175 HydrophobicContact CB-CZ3 4.21Å; P37-W175 HydrophobicContact CG-CB 3.91Å; P37-W175 HydrophobicContact CG-CD2 3.56Å; P37-W175 HydrophobicContact CG-CE3 3.61Å; P37-W175 HydrophobicContact CG-CG 3.7Å; P37-W175 HydrophobicContact CG-CZ3 4.34Å; L45-W175 HydrophobicContact CD1-CB 3.55Å; L45-W175 HydrophobicContact CD1-CG 4.04Å; L171-W175 WeakPolarHBondContact O-CB 3.5Å; L171-W175 PolarHBondContact O-N 3.05Å; Q172-W175 WeakPolarHBondContact O-CB 3.17Å; Q172-W175 PolarHBondContact O-N 2.87Å; W173-W175 VanDerWaalsContact C-N 3.27Å; W173-W175 PolarHBondContact O-N 2.84Å; W175-R178 PolarHBondContact O-N 3.15Å; W175-Q179 VanDerWaalsContact CD2-NE2 3.3Å; W175-Q179 VanDerWaalsContact CE2-NE2 3.26Å; W175-Q179 HydrophobicContact CE3-CG 4.14Å; W175-Q179 VanDerWaalsContact CH2-CD 3.4Å; W175-Q179 HydrophobicContact CH2-CG 4.3Å; W175-Q179 VanDerWaalsContact CH2-NE2 3.34Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.28Å; W175-Q179 VanDerWaalsContact CZ3-CD 3.42Å; W175-Q179 HydrophobicContact CZ3-CG 3.85Å; W175-Q179 PolarHBondContact O-N 3.49Å; W175-Q179 PolarHBondContact O-NE2 3.49Å
176	L	98.5	Very high	97.8	Very high	11 Å²	11	41.5 Å²	41.5	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-42.9	174.4	-72.1	177.7	0	0	0	111.9	F36 Q172 W173 R178 Q179 W511	F36-L176 HydrophobicContact CD1-CD1 3.54Å; F36-L176 HydrophobicContact CD1-CG 4.29Å; F36-L176 HydrophobicContact CE1-CD1 3.64Å; Q172-L176 PolarHBondContact O-N 3Å; Q172-L176 VanDerWaalsContact O-N 3.09Å; W173-L176 HydrophobicContact CE3-CD1 4.28Å; W173-L176 HydrophobicContact CZ3-CD1 4.37Å; W173-L176 WeakPolarHBondContact O-CB 3.46Å; W173-L176 PolarHBondContact O-N 2.99Å; L176-R178 PolarHBondContact O-N 3.02Å; L176-Q179 WeakPolarHBondContact O-CB 3.26Å; L176-Q179 WeakPolarHBondContact O-CG 3.41Å; L176-Q179 PolarHBondContact O-N 3.34Å; L176-W511 HydrophobicContact CB-CH2 3.85Å; L176-W511 HydrophobicContact CB-CZ2 4.06Å
177	E	98.3	Very high	97.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-55.7	-40.8	176.3	-175.1	-169.8	89.1	0	0	111.8	W173 K174 Q179 S506 S508 W511 Q512	W173-E177 PolarHBondContact O-N 3.08Å; K174-E177 WeakPolarHBondContact CD-OE1 3.43Å; K174-E177 VanDerWaalsContact CE-OE1 3.27Å; K174-E177 WeakPolarHBondContact CE-OE1 3.46Å; K174-E177 IonicContact NZ-OE1 3.2Å; K174-E177 PolarHBondContact NZ-OE1 3.35Å; K174-E177 IonicContact NZ-OE2 2.73Å; K174-E177 WeakPolarHBondContact O-CB 3.37Å; K174-E177 PolarHBondContact O-N 3.42Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 3.06Å; E177-S506 WeakPolarHBondContact O-CB 3.39Å; E177-S506 PolarHBondContact O-OG 3.25Å; E177-S508 VanDerWaalsContact CD-OG 3.28Å; E177-S508 PolarHBondContact OE1-OG 3.49Å; E177-S508 VanDerWaalsContact OE2-CA 3.27Å; E177-S508 WeakPolarHBondContact OE2-CA 3.28Å; E177-S508 WeakPolarHBondContact OE2-CB 3.4Å; E177-S508 PolarHBondContact OE2-OG 2.92Å; E177-W511 HydrophobicContact CB-CD2 3.96Å; E177-W511 HydrophobicContact CB-CE3 3.66Å; E177-W511 HydrophobicContact CB-CH2 3.96Å; E177-W511 HydrophobicContact CB-CZ2 4.24Å; E177-W511 HydrophobicContact CB-CZ3 3.67Å; E177-W511 HydrophobicContact CG-CD2 3.84Å; E177-W511 HydrophobicContact CG-CE3 3.71Å; E177-W511 HydrophobicContact CG-CG 4.19Å; E177-W511 HydrophobicContact CG-CZ3 4.25Å; E177-Q512 PolarHBondContact OE2-NE2 2.96Å
178	R	96.8	Very high	97.6	Very high	171 Å²	171	48.4 Å²	48.4	65%	0.645	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	2.2	-176.2	-65.6	-70.1	-179.3	145.2	4.8	114.4	K174 W175 L176	K174-R178 WeakPolarHBondContact O-CG 3.19Å; K174-R178 PolarHBondContact O-N 3.35Å; K174-R178 VanDerWaalsContact O-N 3.15Å; W175-R178 PolarHBondContact O-N 3.15Å; L176-R178 PolarHBondContact O-N 3.02Å
179	Q	97.4	Very high	97.4	Very high	74 Å²	74	49.9 Å²	49.9	35%	0.346	24%	0.237	S	C	.	.	S	Bend	trans	-65.4	146.1	176.2	-66.4	-53.2	-66.8	0	0	111.6	W175 L176 E177 V181	W175-Q179 VanDerWaalsContact CD2-NE2 3.3Å; W175-Q179 VanDerWaalsContact CE2-NE2 3.26Å; W175-Q179 HydrophobicContact CE3-CG 4.14Å; W175-Q179 VanDerWaalsContact CH2-CD 3.4Å; W175-Q179 HydrophobicContact CH2-CG 4.3Å; W175-Q179 VanDerWaalsContact CH2-NE2 3.34Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.28Å; W175-Q179 VanDerWaalsContact CZ3-CD 3.42Å; W175-Q179 HydrophobicContact CZ3-CG 3.85Å; W175-Q179 PolarHBondContact O-N 3.49Å; W175-Q179 PolarHBondContact O-NE2 3.49Å; L176-Q179 WeakPolarHBondContact O-CB 3.26Å; L176-Q179 WeakPolarHBondContact O-CG 3.41Å; L176-Q179 PolarHBondContact O-N 3.34Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 3.06Å; Q179-V181 PolarHBondContact O-N 3.48Å
180	P	96.4	Very high	97.1	Very high	107 Å²	107	50.5 Å²	50.5	70%	0.695	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-57.9	131.1	-178.2	-25.4	34.2	0	0	0	113.1
181	V	97.8	Very high	96.8	Very high	22 Å²	22	51.7 Å²	51.7	13%	0.133	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-93.5	130.5	175.6	-177.8	0	0	0	0	109.2	Q179 F186 Y251 Y253	Q179-V181 PolarHBondContact O-N 3.48Å; V181-F186 HydrophobicContact CG1-CE2 3.66Å; V181-F186 HydrophobicContact CG1-CZ 3.98Å; V181-Y251 HydrophobicContact CG1-CD1 4.1Å; V181-Y251 HydrophobicContact CG2-CD1 3.8Å; V181-Y251 HydrophobicContact CG2-CE1 4.4Å; V181-Y253 HydrophobicContact CG1-CD1 3.94Å; V181-Y253 HydrophobicContact CG1-CG 4.01Å
182	T	96.2	Very high	96.4	Very high	59 Å²	59	53.4 Å²	53.4	36%	0.362	26%	0.255	S	S	.	.			trans	-137.4	173.7	177.5	70.2	0	0	0	0	110.3	N184 T185	T182-N184 PolarHBondContact O-N 3.4Å; T182-N184 PolarHBondContact OG1-N 3.2Å; T182-T185 PolarHBondContact N-OG1 2.78Å; T182-T185 VanDerWaalsContact O-CB 3.26Å; T182-T185 WeakPolarHBondContact O-CB 3.44Å; T182-T185 PolarHBondContact O-N 3.4Å; T182-T185 PolarHBondContact O-OG1 2.81Å
183	K	95.8	Very high	96	Very high	140 Å²	140	54.4 Å²	54.4	61%	0.609	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-52.6	-24.5	170.7	69.9	176.8	-176.7	177.3	0	113.8	T185 F186 T255	K183-T185 VanDerWaalsContact C-N 3.29Å; K183-T185 PolarHBondContact O-N 3.28Å; K183-F186 PolarHBondContact O-N 2.91Å; K183-T255 HydrophobicContact CB-CG2 4.36Å
184	N	96.4	Very high	95.4	Very high	104 Å²	104	57.8 Å²	57.8	56%	0.556	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-77.2	-15.1	-179.7	-65.1	-31.6	0	0	0	113.1	T182 F186 R206	T182-N184 PolarHBondContact O-N 3.4Å; T182-N184 PolarHBondContact OG1-N 3.2Å; N184-F186 PolarHBondContact O-N 3.07Å; N184-R206 WeakPolarHBondContact O-CD 3.29Å; N184-R206 PolarHBondContact O-NE 3.44Å; N184-R206 VanDerWaalsContact O-NE 3.15Å
185	T	98.1	Very high	94.6	Very high	38 Å²	38	58.1 Å²	58.1	23%	0.233	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.9	-27.4	173.2	-54.3	0	0	0	0	111.1	T182 K183 V205 R206	T182-T185 PolarHBondContact N-OG1 2.78Å; T182-T185 VanDerWaalsContact O-CB 3.26Å; T182-T185 WeakPolarHBondContact O-CB 3.44Å; T182-T185 PolarHBondContact O-N 3.4Å; T182-T185 PolarHBondContact O-OG1 2.81Å; K183-T185 VanDerWaalsContact C-N 3.29Å; K183-T185 PolarHBondContact O-N 3.28Å; T185-V205 HydrophobicContact CG2-CG1 4.44Å; T185-R206 WeakPolarHBondContact O-CB 3.22Å; T185-R206 WeakPolarHBondContact O-CG 3.29Å; T185-R206 PolarHBondContact O-N 3.45Å
186	F	98.1	Very high	93.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	158.5	-170.3	-52	-82	0	0	0	113.7	V181 K183 N184 C203 Q204 V205 R206 Y251 Y253 V262	V181-F186 HydrophobicContact CG1-CE2 3.66Å; V181-F186 HydrophobicContact CG1-CZ 3.98Å; K183-F186 PolarHBondContact O-N 2.91Å; N184-F186 PolarHBondContact O-N 3.07Å; F186-C203 HydrophobicContact CB-CB 4.43Å; F186-Q204 CarbonylContact C-O 3.57Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.38Å; F186-V205 HydrophobicContact CD1-CG2 3.87Å; F186-V205 HydrophobicContact CE1-CG2 3.58Å; F186-R206 PolarHBondContact O-NE 3.49Å; F186-R206 PolarHBondContact O-NH2 2.75Å; F186-Y251 AromaticContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CE2 4.12Å; F186-Y251 HydrophobicContact CE1-CG 4.33Å; F186-Y251 HydrophobicContact CZ-CD1 4.15Å; F186-Y251 AromaticContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CE2 4.31Å; F186-Y251 AromaticContact CZ-CG 3.74Å; F186-Y251 HydrophobicContact CZ-CG 3.74Å; F186-Y253 AromaticContact CD2-CE1 3.9Å; F186-Y253 HydrophobicContact CD2-CE1 3.9Å; F186-Y253 AromaticContact CD2-CZ 3.94Å; F186-Y253 AromaticContact CE2-CD1 3.9Å; F186-Y253 HydrophobicContact CE2-CD1 3.9Å; F186-Y253 AromaticContact CE2-CE1 3.41Å; F186-Y253 HydrophobicContact CE2-CE1 3.41Å; F186-Y253 VanDerWaalsContact CE2-CE1 3.41Å; F186-Y253 AromaticContact CE2-CZ 3.9Å; F186-Y253 HydrophobicContact CZ-CE1 4.16Å; F186-V262 HydrophobicContact CE1-CG1 4.03Å; F186-V262 HydrophobicContact CE1-CG2 4.05Å; F186-V262 HydrophobicContact CE2-CG2 4.26Å; F186-V262 HydrophobicContact CZ-CG1 4.48Å; F186-V262 HydrophobicContact CZ-CG2 3.79Å
187	R	96.6	Very high	93.4	Very high	74 Å²	74	58 Å²	58	28%	0.279	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.3	156.8	-56.3	-177.4	-175.2	108.9	2.7	107.4	G25 Y189 C203 Q204 R206	G25-R187 PolarHBondContact O-NH1 3.07Å; R187-Y189 HydrophobicContact CB-CE2 4.03Å; R187-C203 CarbonylContact O-C 3.54Å; R187-C203 WeakPolarHBondContact O-CA 3.45Å; R187-C203 WeakPolarHBondContact O-CB 3.31Å; R187-Q204 HydrophobicContact CB-CB 4.47Å; R187-Q204 PolarHBondContact N-O 3.26Å; R187-Q204 PolarHBondContact O-N 3.46Å; R187-R206 HydrophobicContact CG-CG 3.74Å
188	Q	94.9	Very high	93	Very high	106 Å²	106	58 Å²	58	50%	0.495	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	147.3	176.6	-71.7	-176.9	-16.8	0	0	110.6
189	Y	94.4	Very high	92.9	Very high	51 Å²	51	52.8 Å²	52.8	20%	0.2	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-159	177.7	-64.9	-95	0	0	0	109.1	V11 A15 R187 A202 Q204 M211	V11-Y189 HydrophobicContact CG1-CD1 3.8Å; V11-Y189 HydrophobicContact CG1-CE1 3.81Å; A15-Y189 HydrophobicContact CB-CD1 4.24Å; A15-Y189 HydrophobicContact CB-CE1 3.47Å; A15-Y189 VanDerWaalsContact CB-CE1 3.47Å; R187-Y189 HydrophobicContact CB-CE2 4.03Å; Y189-A202 WeakPolarHBondContact CB-O 3.37Å; Y189-A202 PolarHBondContact N-O 3.32Å; Y189-Q204 HydrophobicContact CE2-CB 3.62Å; Y189-Q204 PolarHBondContact OH-OE1 3.06Å; Y189-M211 HydrophobicContact CD2-CE 4.26Å; Y189-M211 HydrophobicContact CE2-CE 4.39Å; Y189-M211 HydrophobicContact CE2-SD 4.35Å
190	R	91.4	Very high	92.7	Very high	14 Å²	14	51 Å²	51	5%	0.053	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	155	-177	69.3	162.6	-71.9	-177.8	-1.1	113.5	A8 N9 L12 L192 C201 A202 C474 K475 V477	A8-R190 HydrophobicContact CB-CB 3.93Å; N9-R190 VanDerWaalsContact OD1-CD 3.31Å; N9-R190 WeakPolarHBondContact OD1-CD 3.46Å; N9-R190 PolarHBondContact OD1-NH1 2.62Å; L12-R190 HydrophobicContact CB-CG 4.29Å; L12-R190 HydrophobicContact CD2-CG 3.76Å; R190-L192 HydrophobicContact CG-CD2 4.41Å; R190-C201 WeakPolarHBondContact O-CA 3.23Å; R190-A202 PolarHBondContact O-N 3.21Å; R190-C474 PolarHBondContact NH2-SG 3Å; R190-K475 PolarHBondContact NH2-O 3.08Å; R190-V477 HydrophobicContact CB-CG2 4.34Å
191	V	92.4	Very high	92.7	Very high	26 Å²	26	46 Å²	46	16%	0.158	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.9	167.4	-176.6	0	0	0	0	108.8	G193 E199 V200 C201 I480	V191-G193 WeakPolarHBondContact CG1-O 3.29Å; V191-E199 HydrophobicContact CG1-CB 4.14Å; V191-V200 WeakPolarHBondContact CG1-O 3.46Å; V191-C201 HydrophobicContact CG2-CB 4.5Å; V191-I480 HydrophobicContact CB-CD1 4.2Å; V191-I480 HydrophobicContact CG1-CD1 3.82Å; V191-I480 HydrophobicContact CG1-CG2 4.2Å
192	L	91.1	Very high	92.6	Very high	36 Å²	36	45 Å²	45	19%	0.188	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-33.8	178.7	-57.5	178.5	0	0	0	111.2	L12 R190 V200 A202 A213 C474	L12-L192 HydrophobicContact CD2-CD2 4.18Å; R190-L192 HydrophobicContact CG-CD2 4.41Å; L192-V200 PolarHBondContact N-O 3.3Å; L192-A202 HydrophobicContact CD1-CB 4.1Å; L192-A202 HydrophobicContact CD2-CB 4.21Å; L192-A202 HydrophobicContact CG-CB 4.27Å; L192-A213 HydrophobicContact CD1-CB 4.44Å; L192-C474 WeakPolarHBondContact O-CB 3.45Å
193	G	89	Confident	92.6	Very high	22 Å²	22	42.2 Å²	42.2	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-178.9	-178.6	0	0	0	0	0	113.3	V191 V200	V191-G193 WeakPolarHBondContact CG1-O 3.29Å; G193-V200 PolarHBondContact N-O 3.17Å; G193-V200 PolarHBondContact O-N 2.96Å
194	K	86.3	Confident	92.7	Very high	74 Å²	74	35.8 Å²	35.8	32%	0.322	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.8	-177.8	-176.1	-171.4	-174.4	172.8	0	109.4	I480 E481 F483	K194-I480 HydrophobicContact CB-CG2 3.98Å; K194-E481 HydrophobicContact CD-CB 4.28Å; K194-E481 WeakPolarHBondContact CD-O 3.5Å; K194-E481 WeakPolarHBondContact CE-O 3.29Å; K194-E481 PolarHBondContact NZ-O 3.33Å; K194-E481 IonicContact NZ-OE2 2.68Å; K194-E481 PolarHBondContact NZ-OE2 3.39Å; K194-F483 HydrophobicContact CD-CE2 3.99Å; K194-F483 HydrophobicContact CD-CZ 4.04Å; K194-F483 HydrophobicContact CG-CD2 4.35Å; K194-F483 HydrophobicContact CG-CE2 3.52Å; K194-F483 HydrophobicContact CG-CZ 3.79Å
195	G	83.4	Confident	92.8	Very high	21 Å²	21	31 Å²	31	22%	0.216	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-178	174.7	0	0	0	0	0	112.2	F197 G198 F483	G195-F197 VanDerWaalsContact C-N 3.33Å; G195-F197 PolarHBondContact O-N 3.05Å; G195-G198 CarbonylContact C-O 3.57Å; G195-G198 PolarHBondContact N-O 3.3Å; G195-G198 VanDerWaalsContact O-O 3.08Å; G195-F483 VanDerWaalsContact O-CZ 3.23Å; G195-F483 WeakPolarHBondContact O-CZ 3.04Å
196	G	83.1	Confident	92.8	Very high	43 Å²	43	33.9 Å²	33.9	44%	0.443	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.3	-175.4	0	0	0	0	0	114.9	R225	G196-R225 PolarHBondContact O-NH1 2.97Å
197	F	87.7	Confident	92.7	Very high	28 Å²	28	34.1 Å²	34.1	12%	0.123	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	2.3	-174.5	-62.1	-74	0	0	0	114.8	G195 L217 E218 R221 I222 R225 M230	G195-F197 VanDerWaalsContact C-N 3.33Å; G195-F197 PolarHBondContact O-N 3.05Å; F197-L217 HydrophobicContact CB-CB 4.17Å; F197-L217 HydrophobicContact CB-CD2 3.91Å; F197-E218 PolarHBondContact O-N 3.39Å; F197-R221 HydrophobicContact CD1-CG 4.41Å; F197-I222 HydrophobicContact CB-CG1 4.35Å; F197-I222 HydrophobicContact CD1-CG1 4.04Å; F197-I222 HydrophobicContact CG-CG1 4.26Å; F197-R225 HydrophobicContact CE1-CB 3.97Å; F197-M230 HydrophobicContact CE2-SD 3.73Å; F197-M230 HydrophobicContact CZ-SD 4.08Å
198	G	90.6	Very high	92.8	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-149.1	-178.9	0	0	0	0	0	111.9	G195 R216 F483	G195-G198 CarbonylContact C-O 3.57Å; G195-G198 PolarHBondContact N-O 3.3Å; G195-G198 VanDerWaalsContact O-O 3.08Å; G198-R216 CarbonylContact C-O 3.52Å; G198-R216 VanDerWaalsContact CA-O 3.28Å; G198-R216 WeakPolarHBondContact CA-O 3.49Å; G198-F483 WeakPolarHBondContact O-CE2 3.46Å
199	E	93	Very high	92.8	Very high	63 Å²	63	26 Å²	26	29%	0.294	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.3	-170.8	65.4	-176.8	-163.8	0	0	112.1	V191 R216	V191-E199 HydrophobicContact CG1-CB 4.14Å; E199-R216 HydrophobicContact CG-CB 4.37Å; E199-R216 PolarHBondContact N-O 3.46Å; E199-R216 PolarHBondContact O-N 2.86Å; E199-R216 IonicContact OE1-CZ 2.74Å; E199-R216 IonicContact OE1-NH1 2.63Å; E199-R216 PolarHBondContact OE1-NH1 3.48Å
200	V	94.7	Very high	92.9	Very high	35 Å²	35	25.5 Å²	25.5	21%	0.212	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.9	170.3	-176.5	0	0	0	0	107.6	V191 L192 G193 A213 C214 K215	V191-V200 WeakPolarHBondContact CG1-O 3.46Å; L192-V200 PolarHBondContact N-O 3.3Å; G193-V200 PolarHBondContact N-O 3.17Å; G193-V200 PolarHBondContact O-N 2.96Å; V200-A213 HydrophobicContact CG1-CB 3.98Å; V200-C214 WeakPolarHBondContact CA-O 3.47Å; V200-K215 HydrophobicContact CG2-CB 4.18Å; V200-K215 HydrophobicContact CG2-CG 4.02Å
201	C	95.1	Very high	93.1	Very high	3 Å²	3	26 Å²	26	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.1	175.8	63.9	0	0	0	0	111.8	R190 V191 A213 C214	R190-C201 WeakPolarHBondContact O-CA 3.23Å; V191-C201 HydrophobicContact CG2-CB 4.5Å; C201-A213 CarbonylContact O-C 3.46Å; C201-C214 PolarHBondContact N-O 3.16Å; C201-C214 PolarHBondContact O-N 2.9Å
202	A	96.3	Very high	93.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	141.3	170.8	0	0	0	0	0	109.9	L12 Y189 R190 L192 M211 I265	L12-A202 HydrophobicContact CD1-CB 3.64Å; Y189-A202 WeakPolarHBondContact CB-O 3.37Å; Y189-A202 PolarHBondContact N-O 3.32Å; R190-A202 PolarHBondContact O-N 3.21Å; L192-A202 HydrophobicContact CD1-CB 4.1Å; L192-A202 HydrophobicContact CD2-CB 4.21Å; L192-A202 HydrophobicContact CG-CB 4.27Å; A202-M211 HydrophobicContact CB-CE 4.29Å; A202-I265 HydrophobicContact CB-CD1 4.13Å
203	C	97.4	Very high	93.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.2	174.1	73.2	0	0	0	0	111.5	F186 R187 M211 Y212 C214	F186-C203 HydrophobicContact CB-CB 4.43Å; R187-C203 CarbonylContact O-C 3.54Å; R187-C203 WeakPolarHBondContact O-CA 3.45Å; R187-C203 WeakPolarHBondContact O-CB 3.31Å; C203-M211 WeakPolarHBondContact O-CA 3.49Å; C203-Y212 PolarHBondContact N-O 3Å; C203-Y212 PolarHBondContact O-N 3.24Å; C203-C214 HydrophobicContact CB-CB 4.25Å
204	Q	97.6	Very high	94.1	Very high	5 Å²	5	22.7 Å²	22.7	2%	0.023	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.2	177.3	-170.7	-178.4	57.6	0	0	110.5	F186 R187 Y189 R206 G209 K210 M211	F186-Q204 CarbonylContact C-O 3.57Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.38Å; R187-Q204 HydrophobicContact CB-CB 4.47Å; R187-Q204 PolarHBondContact N-O 3.26Å; R187-Q204 PolarHBondContact O-N 3.46Å; Y189-Q204 HydrophobicContact CE2-CB 3.62Å; Y189-Q204 PolarHBondContact OH-OE1 3.06Å; Q204-R206 PolarHBondContact O-N 3.18Å; Q204-G209 VanDerWaalsContact CG-O 3.27Å; Q204-G209 WeakPolarHBondContact CG-O 3.26Å; Q204-G209 PolarHBondContact NE2-O 2.65Å; Q204-K210 CarbonylContact C-O 3.58Å; Q204-K210 VanDerWaalsContact CA-O 3.31Å; Q204-K210 WeakPolarHBondContact CA-O 3.4Å; Q204-M211 HydrophobicContact CB-SD 3.66Å; Q204-M211 HydrophobicContact CG-SD 3.84Å
205	V	98.2	Very high	94.6	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.024	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	123.7	172.1	176.8	0	0	0	0	109	T185 F186 A207 T208 G209 K210 Y212 Y251 E514	T185-V205 HydrophobicContact CG2-CG1 4.44Å; F186-V205 HydrophobicContact CD1-CG2 3.87Å; F186-V205 HydrophobicContact CE1-CG2 3.58Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 HydrophobicContact CG1-CB 4.42Å; V205-A207 PolarHBondContact O-N 3.09Å; V205-T208 WeakPolarHBondContact CB-OG1 3.23Å; V205-T208 HydrophobicContact CG1-CG2 4.28Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.3Å; V205-G209 WeakPolarHBondContact O-CA 3.46Å; V205-G209 PolarHBondContact O-N 3.19Å; V205-K210 PolarHBondContact N-O 3.38Å; V205-Y212 HydrophobicContact CG2-CD2 3.95Å; V205-Y212 HydrophobicContact CG2-CE2 3.95Å; V205-Y251 HydrophobicContact CG2-CE2 3.9Å; V205-E514 WeakPolarHBondContact CB-OE1 3.4Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.42Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.46Å
206	R	97.3	Very high	95.3	Very high	99 Å²	99	22.4 Å²	22.4	37%	0.374	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-36	-173.7	-72.7	-176.6	-171.8	-159.6	-0.6	113.2	S27 N184 T185 F186 R187 Q204	S27-R206 WeakPolarHBondContact CB-O 3.48Å; S27-R206 PolarHBondContact N-O 2.89Å; N184-R206 WeakPolarHBondContact O-CD 3.29Å; N184-R206 PolarHBondContact O-NE 3.44Å; N184-R206 VanDerWaalsContact O-NE 3.15Å; T185-R206 WeakPolarHBondContact O-CB 3.22Å; T185-R206 WeakPolarHBondContact O-CG 3.29Å; T185-R206 PolarHBondContact O-N 3.45Å; F186-R206 PolarHBondContact O-NE 3.49Å; F186-R206 PolarHBondContact O-NH2 2.75Å; R187-R206 HydrophobicContact CG-CG 3.74Å; Q204-R206 PolarHBondContact O-N 3.18Å
207	A	97.2	Very high	95.9	Very high	8 Å²	8	20.5 Å²	20.5	7%	0.066	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-47.9	-176	0	0	0	0	0	111.3	K26 W30 I33 L34 V205	K26-A207 WeakPolarHBondContact CG-O 3.17Å; W30-A207 WeakPolarHBondContact CB-O 3.46Å; I33-A207 HydrophobicContact CB-CB 4.42Å; I33-A207 HydrophobicContact CG2-CB 3.96Å; L34-A207 HydrophobicContact CD1-CB 3.96Å; L34-A207 HydrophobicContact CD2-CB 4.23Å; L34-A207 HydrophobicContact CG-CB 3.93Å; V205-A207 VanDerWaalsContact C-N 3.31Å; V205-A207 HydrophobicContact CG1-CB 4.42Å; V205-A207 PolarHBondContact O-N 3.09Å
208	T	97.1	Very high	96.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-24	-169.7	63.8	0	0	0	0	113.7	K26 L34 V205 K210 E514 M515	K26-T208 VanDerWaalsContact CG-O 3.23Å; K26-T208 WeakPolarHBondContact CG-O 3.44Å; L34-T208 HydrophobicContact CD1-CG2 4.37Å; V205-T208 WeakPolarHBondContact CB-OG1 3.23Å; V205-T208 HydrophobicContact CG1-CG2 4.28Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.3Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact OG1-N 3.04Å; T208-E514 VanDerWaalsContact CB-OE1 3.27Å; T208-E514 WeakPolarHBondContact CB-OE1 3.33Å; T208-E514 HydrophobicContact CG2-CG 4Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.31Å; T208-E514 PolarHBondContact OG1-OE1 3.44Å; T208-M515 HydrophobicContact CG2-CE 3.5Å; T208-M515 VanDerWaalsContact CG2-CE 3.5Å; T208-M515 HydrophobicContact CG2-SD 3.81Å
209	G	95.6	Very high	96.6	Very high	9 Å²	9	22.6 Å²	22.6	9%	0.093	11%	0.106	C	C	.	.			trans	81.1	0.1	-172.7	0	0	0	0	0	114.3	Q204 V205	Q204-G209 VanDerWaalsContact CG-O 3.27Å; Q204-G209 WeakPolarHBondContact CG-O 3.26Å; Q204-G209 PolarHBondContact NE2-O 2.65Å; V205-G209 WeakPolarHBondContact O-CA 3.46Å; V205-G209 PolarHBondContact O-N 3.19Å
210	K	96.1	Very high	96.7	Very high	39 Å²	39	24 Å²	24	17%	0.17	11%	0.111	C	C	.	.			trans	-67.3	134.9	-179.2	-168.3	163.3	175.6	172.9	0	111.5	Q204 V205 T208 Y212 E514 E517 T518	Q204-K210 CarbonylContact C-O 3.58Å; Q204-K210 VanDerWaalsContact CA-O 3.31Å; Q204-K210 WeakPolarHBondContact CA-O 3.4Å; V205-K210 PolarHBondContact N-O 3.38Å; T208-K210 VanDerWaalsContact C-N 3.28Å; T208-K210 PolarHBondContact OG1-N 3.04Å; K210-Y212 HydrophobicContact CB-CD2 4.45Å; K210-Y212 HydrophobicContact CB-CE2 3.89Å; K210-Y212 HydrophobicContact CD-CE2 3.79Å; K210-Y212 WeakPolarHBondContact CD-OH 3.26Å; K210-Y212 VanDerWaalsContact CE-OH 3.29Å; K210-Y212 WeakPolarHBondContact CE-OH 3.39Å; K210-Y212 HydrophobicContact CG-CD2 4.22Å; K210-Y212 HydrophobicContact CG-CE2 3.6Å; K210-E514 HydrophobicContact CB-CG 3.92Å; K210-E514 HydrophobicContact CD-CB 3.65Å; K210-E514 HydrophobicContact CD-CG 3.53Å; K210-E514 HydrophobicContact CG-CG 4.34Å; K210-E517 VanDerWaalsContact CE-OE2 3.26Å; K210-E517 WeakPolarHBondContact CE-OE2 3.12Å; K210-E517 IonicContact NZ-OE1 2.85Å; K210-E517 PolarHBondContact NZ-OE1 3Å; K210-E517 VanDerWaalsContact NZ-OE1 3.08Å; K210-E517 IonicContact NZ-OE2 3.77Å; K210-E517 PolarHBondContact NZ-OE2 3.41Å; K210-T518 HydrophobicContact CB-CG2 3.87Å; K210-T518 HydrophobicContact CD-CG2 4.47Å
211	M	96.3	Very high	96.7	Very high	24 Å²	24	23 Å²	23	12%	0.118	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.8	177.1	-68	-64.9	-63.8	0	0	110.6	L12 A15 Y189 A202 C203 Q204 I265	L12-M211 HydrophobicContact CD1-CE 3.81Å; A15-M211 HydrophobicContact CB-CE 4.27Å; A15-M211 HydrophobicContact CB-SD 4Å; Y189-M211 HydrophobicContact CD2-CE 4.26Å; Y189-M211 HydrophobicContact CE2-CE 4.39Å; Y189-M211 HydrophobicContact CE2-SD 4.35Å; A202-M211 HydrophobicContact CB-CE 4.29Å; C203-M211 WeakPolarHBondContact O-CA 3.49Å; Q204-M211 HydrophobicContact CB-SD 3.66Å; Q204-M211 HydrophobicContact CG-SD 3.84Å; M211-I265 HydrophobicContact CB-CD1 4.37Å; M211-I265 HydrophobicContact CB-CG2 4.08Å; M211-I265 HydrophobicContact CE-CD1 4.28Å
212	Y	98	Very high	96.7	Very high	6 Å²	6	23 Å²	23	2%	0.024	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.7	178.5	-74.9	-79	0	0	0	110.8	C203 V205 K210 A250 Y251 V262 L263 E514	C203-Y212 PolarHBondContact N-O 3Å; C203-Y212 PolarHBondContact O-N 3.24Å; V205-Y212 HydrophobicContact CG2-CD2 3.95Å; V205-Y212 HydrophobicContact CG2-CE2 3.95Å; K210-Y212 HydrophobicContact CB-CD2 4.45Å; K210-Y212 HydrophobicContact CB-CE2 3.89Å; K210-Y212 HydrophobicContact CD-CE2 3.79Å; K210-Y212 WeakPolarHBondContact CD-OH 3.26Å; K210-Y212 VanDerWaalsContact CE-OH 3.29Å; K210-Y212 WeakPolarHBondContact CE-OH 3.39Å; K210-Y212 HydrophobicContact CG-CD2 4.22Å; K210-Y212 HydrophobicContact CG-CE2 3.6Å; Y212-A250 HydrophobicContact CD1-CB 4.24Å; Y212-A250 HydrophobicContact CE1-CB 3.51Å; Y212-Y251 HydrophobicContact CE2-CE2 4.15Å; Y212-V262 HydrophobicContact CD1-CG1 4.02Å; Y212-V262 HydrophobicContact CD2-CG1 4.07Å; Y212-V262 HydrophobicContact CG-CG1 3.57Å; Y212-L263 VanDerWaalsContact CD1-O 3.3Å; Y212-L263 WeakPolarHBondContact CD1-O 3.46Å; Y212-E514 VanDerWaalsContact CE2-OE2 3.3Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.4Å; Y212-E514 PolarHBondContact OH-OE2 3.48Å; Y212-E514 VanDerWaalsContact OH-OE2 3.07Å
213	A	97.6	Very high	96.6	Very high	10 Å²	10	25.1 Å²	25.1	8%	0.083	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135.8	164.9	0	0	0	0	0	109.4	L192 V200 C201 V262 L263	L192-A213 HydrophobicContact CD1-CB 4.44Å; V200-A213 HydrophobicContact CG1-CB 3.98Å; C201-A213 CarbonylContact O-C 3.46Å; A213-V262 CarbonylContact O-C 3.45Å; A213-V262 WeakPolarHBondContact O-CA 3.46Å; A213-L263 PolarHBondContact N-O 3.09Å; A213-L263 PolarHBondContact O-N 3.24Å
214	C	97.9	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	103.9	176.9	-176.7	0	0	0	0	109.3	V200 C201 C203 R216 L261	V200-C214 WeakPolarHBondContact CA-O 3.47Å; C201-C214 PolarHBondContact N-O 3.16Å; C201-C214 PolarHBondContact O-N 2.9Å; C203-C214 HydrophobicContact CB-CB 4.25Å; C214-R216 PolarHBondContact O-N 3.17Å; C214-L261 CarbonylContact C-O 3.51Å; C214-L261 WeakPolarHBondContact CA-O 3.39Å
215	K	97.3	Very high	96.3	Very high	21 Å²	21	38 Å²	38	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107	171.7	-170.2	-177.9	-164.8	-173	0	108	V200 L217 E234 C260 L261 L263 D329	V200-K215 HydrophobicContact CG2-CB 4.18Å; V200-K215 HydrophobicContact CG2-CG 4.02Å; K215-L217 HydrophobicContact CD-CD2 4.24Å; K215-L217 HydrophobicContact CG-CD2 3.99Å; K215-E234 IonicContact NZ-OE1 2.91Å; K215-E234 PolarHBondContact NZ-OE1 3.3Å; K215-E234 IonicContact NZ-OE2 3.27Å; K215-E234 PolarHBondContact NZ-OE2 3.49Å; K215-C260 WeakPolarHBondContact O-CA 3.44Å; K215-L261 HydrophobicContact CB-CB 4.32Å; K215-L261 PolarHBondContact N-O 3.15Å; K215-L261 PolarHBondContact O-N 2.95Å; K215-L263 HydrophobicContact CB-CD1 4.22Å; K215-L263 HydrophobicContact CD-CD1 4.47Å; K215-D329 IonicContact NZ-OD1 3.51Å; K215-D329 PolarHBondContact NZ-OD1 2.57Å
216	R	96.6	Very high	96.1	Very high	67 Å²	67	46.5 Å²	46.5	25%	0.253	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113.4	-177.9	-61.4	177.1	65.9	-149.9	-0.7	109.4	G198 E199 C214 L259	G198-R216 CarbonylContact C-O 3.52Å; G198-R216 VanDerWaalsContact CA-O 3.28Å; G198-R216 WeakPolarHBondContact CA-O 3.49Å; E199-R216 HydrophobicContact CG-CB 4.37Å; E199-R216 PolarHBondContact N-O 3.46Å; E199-R216 PolarHBondContact O-N 2.86Å; E199-R216 IonicContact OE1-CZ 2.74Å; E199-R216 IonicContact OE1-NH1 2.63Å; E199-R216 PolarHBondContact OE1-NH1 3.48Å; C214-R216 PolarHBondContact O-N 3.17Å; R216-L259 CarbonylContact C-O 3.42Å
217	L	96.4	Very high	96	Very high	3 Å²	3	42 Å²	42	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	113.6	179.3	-45.7	172.3	0	0	0	109.1	F197 K215 K219 I222 A231 A258 L259 F502	F197-L217 HydrophobicContact CB-CB 4.17Å; F197-L217 HydrophobicContact CB-CD2 3.91Å; K215-L217 HydrophobicContact CD-CD2 4.24Å; K215-L217 HydrophobicContact CG-CD2 3.99Å; L217-K219 PolarHBondContact O-N 3.21Å; L217-I222 HydrophobicContact CB-CD1 3.65Å; L217-I222 HydrophobicContact CB-CG1 4.34Å; L217-A231 HydrophobicContact CD1-CB 4Å; L217-A258 CarbonylContact O-C 3.58Å; L217-A258 WeakPolarHBondContact O-CA 3.49Å; L217-A258 WeakPolarHBondContact O-CB 3.36Å; L217-L259 HydrophobicContact CB-CB 4.39Å; L217-L259 PolarHBondContact N-O 2.79Å; L217-L259 PolarHBondContact O-N 3.04Å; L217-F502 HydrophobicContact CD1-CE2 4.34Å; L217-F502 HydrophobicContact CD1-CZ 4.22Å
218	E	96.1	Very high	95.8	Very high	64 Å²	64	44 Å²	44	30%	0.299	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	120.4	-178.5	-70.8	171.7	-159.9	0	0	111.1	F197 K220 R221 I222	F197-E218 PolarHBondContact O-N 3.39Å; E218-K220 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 2.6Å; E218-R221 HydrophobicContact CB-CB 3.77Å; E218-R221 WeakPolarHBondContact O-CB 3.17Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-R221 IonicContact OE2-CZ 3.93Å; E218-R221 IonicContact OE2-NE 3.43Å; E218-R221 PolarHBondContact OE2-NE 2.93Å; E218-R221 IonicContact OE2-NH2 3.19Å; E218-R221 PolarHBondContact OE2-NH2 2.92Å; E218-I222 PolarHBondContact O-N 3.23Å
219	K	96.2	Very high	95.6	Very high	12 Å²	12	48.5 Å²	48.5	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-46.4	-176.6	-75.8	-178.1	169.3	-167.4	0	112.6	L217 R221 I222 K223 E254 T255 D257 L259 L491 Y499	L217-K219 PolarHBondContact O-N 3.21Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.38Å; K219-I222 PolarHBondContact O-N 2.6Å; K219-K223 PolarHBondContact O-N 3.15Å; K219-E254 IonicContact NZ-OE2 2.61Å; K219-E254 PolarHBondContact NZ-OE2 3.39Å; K219-T255 PolarHBondContact NZ-O 3.39Å; K219-D257 PolarHBondContact N-O 3.25Å; K219-L259 HydrophobicContact CG-CG 4.34Å; K219-L491 HydrophobicContact CB-CD1 3.86Å; K219-L491 HydrophobicContact CB-CD2 4.38Å; K219-L491 HydrophobicContact CD-CD1 4.01Å; K219-Y499 HydrophobicContact CB-CE1 4.44Å; K219-Y499 HydrophobicContact CD-CD1 4.47Å; K219-Y499 HydrophobicContact CD-CD2 4.28Å; K219-Y499 HydrophobicContact CD-CE1 3.97Å; K219-Y499 HydrophobicContact CD-CE2 3.73Å; K219-Y499 HydrophobicContact CG-CE1 3.86Å; K219-Y499 HydrophobicContact CG-CE2 4.46Å; K219-Y499 VanDerWaalsContact NZ-CD2 3.27Å
220	K	95.3	Very high	95.5	Very high	92 Å²	92	51.8 Å²	51.8	40%	0.4	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-32.4	177.8	-66.6	-175	178.5	-177.7	0	113	E218 K224 V486 V489 L491	E218-K220 VanDerWaalsContact C-N 3.33Å; E218-K220 PolarHBondContact O-N 2.6Å; K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.14Å; K220-K224 PolarHBondContact O-N 3.07Å; K220-V486 HydrophobicContact CB-CB 4.01Å; K220-V486 HydrophobicContact CB-CG1 4.04Å; K220-V489 HydrophobicContact CB-CB 4.42Å; K220-V489 HydrophobicContact CB-CG1 4.29Å; K220-V489 HydrophobicContact CG-CG1 4.44Å; K220-L491 HydrophobicContact CG-CD2 4.35Å
221	R	94.9	Very high	95.4	Very high	14 Å²	14	50 Å²	50	5%	0.053	23%	0.232	C	C	.	.	H	α-helix	trans	-76.6	-39	179.7	-169.9	176.4	-62	-77.6	-18.7	111.5	F197 E218 K219 R225 F483 S484 V486	F197-R221 HydrophobicContact CD1-CG 4.41Å; E218-R221 HydrophobicContact CB-CB 3.77Å; E218-R221 WeakPolarHBondContact O-CB 3.17Å; E218-R221 PolarHBondContact O-N 3.47Å; E218-R221 IonicContact OE2-CZ 3.93Å; E218-R221 IonicContact OE2-NE 3.43Å; E218-R221 PolarHBondContact OE2-NE 2.93Å; E218-R221 IonicContact OE2-NH2 3.19Å; E218-R221 PolarHBondContact OE2-NH2 2.92Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.38Å; R221-R225 WeakPolarHBondContact O-CB 3.22Å; R221-R225 PolarHBondContact O-N 2.51Å; R221-F483 VanDerWaalsContact NH2-CB 3.34Å; R221-S484 PolarHBondContact NH2-O 2.94Å; R221-V486 HydrophobicContact CB-CG2 4.26Å
222	I	95.3	Very high	95.4	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-55.7	-56.1	170.7	-68.1	163.2	0	0	0	109.1	F197 L217 E218 K219 K224 R225 K226 G227 E228 L259 F498	F197-I222 HydrophobicContact CB-CG1 4.35Å; F197-I222 HydrophobicContact CD1-CG1 4.04Å; F197-I222 HydrophobicContact CG-CG1 4.26Å; L217-I222 HydrophobicContact CB-CD1 3.65Å; L217-I222 HydrophobicContact CB-CG1 4.34Å; E218-I222 PolarHBondContact O-N 3.23Å; K219-I222 PolarHBondContact O-N 2.6Å; I222-K224 PolarHBondContact O-N 3.18Å; I222-R225 CarbonylContact O-C 3.57Å; I222-R225 PolarHBondContact O-N 3.35Å; I222-K226 PolarHBondContact O-N 3.43Å; I222-G227 PolarHBondContact O-N 2.98Å; I222-E228 HydrophobicContact CG2-CB 4.47Å; I222-E228 HydrophobicContact CG2-CG 3.91Å; I222-L259 HydrophobicContact CD1-CD1 3.94Å; I222-L259 HydrophobicContact CD1-CG 4.43Å; I222-F498 HydrophobicContact CG2-CE1 4.14Å; I222-F498 HydrophobicContact CG2-CZ 4.39Å
223	K	95	Very high	95.2	Very high	46 Å²	46	51.9 Å²	51.9	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-46.4	-179.1	-171.8	169.4	-167.4	167.3	0	112.8	K219 R225 K226 E228 V489 N490 L491 D492 D495	K219-K223 PolarHBondContact O-N 3.15Å; K223-R225 PolarHBondContact O-N 3.25Å; K223-K226 PolarHBondContact O-N 2.95Å; K223-E228 WeakPolarHBondContact CA-OE1 3.23Å; K223-V489 HydrophobicContact CB-CG1 4.09Å; K223-V489 HydrophobicContact CD-CG1 3.91Å; K223-V489 HydrophobicContact CG-CG1 4.09Å; K223-N490 WeakPolarHBondContact CE-O 3.37Å; K223-N490 PolarHBondContact NZ-O 3.26Å; K223-L491 HydrophobicContact CD-CD2 4.01Å; K223-D492 IonicContact NZ-OD1 2.78Å; K223-D492 IonicContact NZ-OD2 3.53Å; K223-D492 PolarHBondContact NZ-OD2 3.05Å; K223-D495 WeakPolarHBondContact CD-OD1 3.12Å; K223-D495 WeakPolarHBondContact CE-OD1 3.36Å; K223-D495 IonicContact NZ-OD1 2.7Å; K223-D495 PolarHBondContact NZ-OD1 3.26Å; K223-D495 IonicContact NZ-OD2 3.78Å; K223-D495 PolarHBondContact NZ-OD2 2.89Å
224	K	94.3	Very high	95	Very high	142 Å²	142	51.8 Å²	51.8	62%	0.617	24%	0.24	S	C	*	.	H	α-helix	trans	-57.3	-33.6	177.6	-178.2	168.5	175.6	175.9	0	113.1	K220 I222 V486 V489	K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.14Å; K220-K224 PolarHBondContact O-N 3.07Å; I222-K224 PolarHBondContact O-N 3.18Å; K224-V486 HydrophobicContact CB-CG1 4.31Å; K224-V486 HydrophobicContact CD-CG1 3.81Å; K224-V489 HydrophobicContact CB-CG2 4.18Å
225	R	93.8	Very high	95	Very high	135 Å²	135	52 Å²	52	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-101.8	1.7	-175.8	-69.1	-175.4	176	-179.2	2.7	113.5	G196 F197 R221 I222 K223 G227	G196-R225 PolarHBondContact O-NH1 2.97Å; F197-R225 HydrophobicContact CE1-CB 3.97Å; R221-R225 WeakPolarHBondContact O-CB 3.22Å; R221-R225 PolarHBondContact O-N 2.51Å; I222-R225 CarbonylContact O-C 3.57Å; I222-R225 PolarHBondContact O-N 3.35Å; K223-R225 PolarHBondContact O-N 3.25Å; R225-G227 VanDerWaalsContact C-N 3.25Å; R225-G227 PolarHBondContact O-N 3.07Å
226	K	94.4	Very high	94.9	Very high	181 Å²	181	55.3 Å²	55.3	79%	0.787	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	44.2	-173.4	-54.4	-176.9	178.7	-174.6	0	112.1	I222 K223 E228	I222-K226 PolarHBondContact O-N 3.43Å; K223-K226 PolarHBondContact O-N 2.95Å; K226-E228 WeakPolarHBondContact CA-OE2 3.29Å
227	G	94.1	Very high	94.9	Very high	4 Å²	4	52.6 Å²	52.6	4%	0.041	25%	0.247	C	C	.	.			trans	-91.2	9.2	-173.2	0	0	0	0	0	115.2	I222 R225 M230 A231	I222-G227 PolarHBondContact O-N 2.98Å; R225-G227 VanDerWaalsContact C-N 3.25Å; R225-G227 PolarHBondContact O-N 3.07Å; G227-M230 PolarHBondContact O-N 3.44Å; G227-A231 WeakPolarHBondContact O-CB 3.3Å; G227-A231 PolarHBondContact O-N 3.27Å
228	E	94.6	Very high	94.8	Very high	50 Å²	50	52.6 Å²	52.6	23%	0.234	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-49.5	-171.4	-59.8	79.9	-176.9	0	0	111.3	I222 K223 K226 M230 A231 L232 F498	I222-E228 HydrophobicContact CG2-CB 4.47Å; I222-E228 HydrophobicContact CG2-CG 3.91Å; K223-E228 WeakPolarHBondContact CA-OE1 3.23Å; K226-E228 WeakPolarHBondContact CA-OE2 3.29Å; E228-M230 VanDerWaalsContact C-N 3.34Å; E228-M230 PolarHBondContact O-N 2.82Å; E228-A231 PolarHBondContact O-N 3.43Å; E228-L232 WeakPolarHBondContact O-CB 3.33Å; E228-L232 PolarHBondContact O-N 3.18Å; E228-F498 HydrophobicContact CB-CD1 4.26Å; E228-F498 HydrophobicContact CB-CD2 3.99Å; E228-F498 HydrophobicContact CB-CE1 4.18Å; E228-F498 HydrophobicContact CB-CE2 3.91Å; E228-F498 HydrophobicContact CB-CG 4.17Å; E228-F498 HydrophobicContact CB-CZ 4.02Å; E228-F498 HydrophobicContact CG-CD1 3.97Å; E228-F498 HydrophobicContact CG-CE1 4.01Å; E228-F498 HydrophobicContact CG-CG 4.25Å; E228-F498 HydrophobicContact CG-CZ 4.35Å; E228-F498 VanDerWaalsContact O-CE2 3.25Å; E228-F498 WeakPolarHBondContact O-CE2 3.4Å
229	S	92.3	Very high	94.8	Very high	98 Å²	98	52.8 Å²	52.8	69%	0.685	25%	0.248	S	C	*	.	H	α-helix	trans	-61.4	-42.1	178.9	-178.8	0	0	0	0	111.8	L232 N233	S229-L232 PolarHBondContact O-N 3.19Å; S229-N233 WeakPolarHBondContact O-CB 3.23Å; S229-N233 PolarHBondContact O-N 3.23Å
230	M	92.3	Very high	94.6	Very high	78 Å²	78	58.7 Å²	58.7	38%	0.384	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-46.3	178	-174.2	-177.8	-72.2	0	0	111.8	F197 G227 E228 N233 E234 G331 L332	F197-M230 HydrophobicContact CE2-SD 3.73Å; F197-M230 HydrophobicContact CZ-SD 4.08Å; G227-M230 PolarHBondContact O-N 3.44Å; E228-M230 VanDerWaalsContact C-N 3.34Å; E228-M230 PolarHBondContact O-N 2.82Å; M230-N233 PolarHBondContact O-N 3.16Å; M230-E234 PolarHBondContact O-N 2.79Å; M230-G331 VanDerWaalsContact CG-O 3.28Å; M230-G331 WeakPolarHBondContact CG-O 3.4Å; M230-L332 HydrophobicContact CE-CD2 4.19Å
231	A	95.2	Very high	94.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-40.9	178.9	0	0	0	0	0	112.2	L217 G227 E228 K235 F498 F502	L217-A231 HydrophobicContact CD1-CB 4Å; G227-A231 WeakPolarHBondContact O-CB 3.3Å; G227-A231 PolarHBondContact O-N 3.27Å; E228-A231 PolarHBondContact O-N 3.43Å; A231-K235 PolarHBondContact O-N 3.35Å; A231-K235 VanDerWaalsContact O-N 3.16Å; A231-F498 HydrophobicContact CB-CZ 4.18Å; A231-F502 HydrophobicContact CB-CE2 4.44Å
232	L	95	Very high	94.1	Very high	32 Å²	32	58.6 Å²	58.6	17%	0.168	28%	0.279	C	S	.	.	H	α-helix	trans	-67.1	-42.6	177	-170.2	60.4	0	0	0	111.6	E228 S229 K235 Q236 F498 K501	E228-L232 WeakPolarHBondContact O-CB 3.33Å; E228-L232 PolarHBondContact O-N 3.18Å; S229-L232 PolarHBondContact O-N 3.19Å; L232-K235 PolarHBondContact O-N 3.07Å; L232-Q236 HydrophobicContact CD1-CG 4.5Å; L232-Q236 HydrophobicContact CG-CG 4.41Å; L232-Q236 WeakPolarHBondContact O-CB 3.17Å; L232-Q236 VanDerWaalsContact O-CG 3.29Å; L232-Q236 WeakPolarHBondContact O-CG 3.27Å; L232-Q236 PolarHBondContact O-N 3.2Å; L232-F498 HydrophobicContact CB-CE2 4.1Å; L232-K501 HydrophobicContact CD1-CB 4.38Å
233	N	93.8	Very high	94.1	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.203	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-46.7	178	177.5	78.7	0	0	0	111.5	S229 M230 K235 Q236 I237 A333	S229-N233 WeakPolarHBondContact O-CB 3.23Å; S229-N233 PolarHBondContact O-N 3.23Å; M230-N233 PolarHBondContact O-N 3.16Å; N233-K235 VanDerWaalsContact C-N 3.31Å; N233-K235 PolarHBondContact O-N 3.27Å; N233-Q236 PolarHBondContact O-N 2.94Å; N233-I237 WeakPolarHBondContact O-CG1 3.49Å; N233-I237 PolarHBondContact O-N 3.09Å; N233-A333 PolarHBondContact ND2-O 3.21Å
234	E	95.2	Very high	94.1	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.037	29%	0.293	C	S	.	.	H	α-helix	trans	-55.2	-48.6	174.3	-176.8	175.9	-166.8	0	0	110.9	K215 M230 Q236 I237 L238 L261 L330	K215-E234 IonicContact NZ-OE1 2.91Å; K215-E234 PolarHBondContact NZ-OE1 3.3Å; K215-E234 IonicContact NZ-OE2 3.27Å; K215-E234 PolarHBondContact NZ-OE2 3.49Å; M230-E234 PolarHBondContact O-N 2.79Å; E234-Q236 PolarHBondContact O-N 2.81Å; E234-I237 PolarHBondContact O-N 3.43Å; E234-L238 HydrophobicContact CG-CD1 3.81Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 3.41Å; E234-L261 HydrophobicContact CG-CD1 4.39Å; E234-L330 HydrophobicContact CG-CB 4.25Å; E234-L330 PolarHBondContact OE1-N 3.12Å
235	K	96.5	Very high	94.3	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-44.7	178.4	-175.5	-91.9	166.4	-178.4	0	112.2	A231 L232 N233 E239 L249 A252 L261 F502 T504	A231-K235 PolarHBondContact O-N 3.35Å; A231-K235 VanDerWaalsContact O-N 3.16Å; L232-K235 PolarHBondContact O-N 3.07Å; N233-K235 VanDerWaalsContact C-N 3.31Å; N233-K235 PolarHBondContact O-N 3.27Å; K235-E239 IonicContact NZ-OE1 2.91Å; K235-E239 PolarHBondContact NZ-OE1 2.68Å; K235-E239 IonicContact NZ-OE2 3.42Å; K235-E239 PolarHBondContact NZ-OE2 3.38Å; K235-E239 WeakPolarHBondContact O-CB 3.13Å; K235-E239 PolarHBondContact O-N 3.49Å; K235-L249 HydrophobicContact CG-CD2 4.09Å; K235-A252 HydrophobicContact CG-CB 4.14Å; K235-L261 HydrophobicContact CB-CD2 3.94Å; K235-L261 HydrophobicContact CG-CD2 3.72Å; K235-F502 HydrophobicContact CB-CD2 4.19Å; K235-F502 HydrophobicContact CB-CE2 3.87Å; K235-F502 HydrophobicContact CB-CZ 4.45Å; K235-F502 HydrophobicContact CG-CD2 4.36Å; K235-F502 HydrophobicContact CG-CE2 4.22Å; K235-F502 HydrophobicContact CG-CZ 4.47Å; K235-T504 VanDerWaalsContact CE-OG1 3.24Å; K235-T504 WeakPolarHBondContact CE-OG1 3.42Å; K235-T504 PolarHBondContact NZ-OG1 3.4Å
236	Q	95.8	Very high	94.5	Very high	92 Å²	92	48.4 Å²	48.4	43%	0.43	24%	0.241	S	C	.	.	H	α-helix	trans	-69.6	-36.6	-176.3	-76.4	176.2	-18.8	0	0	112.8	L232 N233 E234 K240	L232-Q236 HydrophobicContact CD1-CG 4.5Å; L232-Q236 HydrophobicContact CG-CG 4.41Å; L232-Q236 WeakPolarHBondContact O-CB 3.17Å; L232-Q236 VanDerWaalsContact O-CG 3.29Å; L232-Q236 WeakPolarHBondContact O-CG 3.27Å; L232-Q236 PolarHBondContact O-N 3.2Å; N233-Q236 PolarHBondContact O-N 2.94Å; E234-Q236 PolarHBondContact O-N 2.81Å; Q236-K240 WeakPolarHBondContact O-CG 3.32Å; Q236-K240 PolarHBondContact O-N 3.01Å
237	I	95.8	Very high	94.6	Very high	9 Å²	9	40 Å²	40	5%	0.046	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-50.3	174.8	-65.7	170.5	0	0	0	109.2	N233 E234 E239 K240 V241 T307 L330 A333	N233-I237 WeakPolarHBondContact O-CG1 3.49Å; N233-I237 PolarHBondContact O-N 3.09Å; E234-I237 PolarHBondContact O-N 3.43Å; I237-E239 PolarHBondContact O-N 3.08Å; I237-K240 PolarHBondContact O-N 2.94Å; I237-V241 HydrophobicContact CG2-CG2 3.93Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 3.4Å; I237-T307 HydrophobicContact CD1-CG2 4.08Å; I237-T307 HydrophobicContact CG2-CG2 3.99Å; I237-L330 HydrophobicContact CB-CD2 4.46Å; I237-L330 HydrophobicContact CG2-CD2 3.52Å; I237-A333 HydrophobicContact CD1-CB 3.74Å; I237-A333 WeakPolarHBondContact CD1-O 3.4Å
238	L	96.3	Very high	94.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-28.2	179.2	-78.4	171.1	0	0	0	114.3	E234 V247 L249 L261 L263 L330	E234-L238 HydrophobicContact CG-CD1 3.81Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 3.41Å; L238-V247 HydrophobicContact CD2-CG2 4.09Å; L238-V247 WeakPolarHBondContact CD2-O 3.43Å; L238-L249 HydrophobicContact CB-CB 3.8Å; L238-L249 HydrophobicContact CB-CD2 4.18Å; L238-L261 HydrophobicContact CD1-CD1 4.29Å; L238-L263 HydrophobicContact CD1-CD2 3.82Å; L238-L330 HydrophobicContact CD2-CD1 3.86Å; L238-L330 HydrophobicContact CD2-CD2 4.16Å; L238-L330 HydrophobicContact CD2-CG 4.48Å; L238-L330 HydrophobicContact CG-CD1 4.48Å; L238-L330 HydrophobicContact CG-CD2 4.4Å
239	E	94.9	Very high	94.9	Very high	68 Å²	68	38.4 Å²	38.4	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-75.2	-25.7	176.5	-174.9	171.8	-122.8	0	0	112.9	K235 I237 L249 T504 V507	K235-E239 IonicContact NZ-OE1 2.91Å; K235-E239 PolarHBondContact NZ-OE1 2.68Å; K235-E239 IonicContact NZ-OE2 3.42Å; K235-E239 PolarHBondContact NZ-OE2 3.38Å; K235-E239 WeakPolarHBondContact O-CB 3.13Å; K235-E239 PolarHBondContact O-N 3.49Å; I237-E239 PolarHBondContact O-N 3.08Å; E239-L249 HydrophobicContact CB-CD2 4.28Å; E239-T504 PolarHBondContact OE1-OG1 3.05Å; E239-T504 VanDerWaalsContact OE1-OG1 3.05Å; E239-V507 HydrophobicContact CG-CG1 4.11Å; E239-V507 HydrophobicContact CG-CG2 4.2Å
240	K	91.2	Very high	95.2	Very high	137 Å²	137	33.8 Å²	33.8	60%	0.596	16%	0.164	S	C	*	.	H	α-helix	trans	-94.4	-32.8	-178.5	-69.4	-178.6	-179.1	-176.8	0	113	Q236 I237 N242	Q236-K240 WeakPolarHBondContact O-CG 3.32Å; Q236-K240 PolarHBondContact O-N 3.01Å; I237-K240 PolarHBondContact O-N 2.94Å; K240-N242 PolarHBondContact O-N 3.21Å
241	V	90.8	Very high	95.5	Very high	11 Å²	11	30.2 Å²	30.2	7%	0.067	15%	0.147	C	C	.	.			trans	-76.7	121.4	179.9	176.9	0	0	0	0	109.1	I237 V246 N248 L302	I237-V241 HydrophobicContact CG2-CG2 3.93Å; I237-V241 WeakPolarHBondContact O-CG2 3.41Å; I237-V241 PolarHBondContact O-N 3.4Å; V241-V246 HydrophobicContact CG1-CB 4.07Å; V241-V246 HydrophobicContact CG1-CG1 4.2Å; V241-V246 HydrophobicContact CG1-CG2 4.19Å; V241-N248 PolarHBondContact O-OD1 3.19Å; V241-L302 HydrophobicContact CB-CD2 4.48Å; V241-L302 HydrophobicContact CG1-CD2 4.05Å; V241-L302 HydrophobicContact CG2-CD2 3.67Å
242	N	90.3	Very high	95.7	Very high	92 Å²	92	30.2 Å²	30.2	49%	0.492	15%	0.146	S	C	.	.			trans	-120.9	92.9	170.5	177.4	61.3	0	0	0	108.4	K240	K240-N242 PolarHBondContact O-N 3.21Å
243	S	94.3	Very high	95.9	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	14%	0.139	C	C	.	.			trans	-132.1	147.7	-174.4	171.8	0	0	0	0	111	F245 V246 N248 D301 R326	S243-F245 VanDerWaalsContact C-N 3.25Å; S243-F245 PolarHBondContact OG-N 3Å; S243-V246 PolarHBondContact OG-N 3.4Å; S243-N248 PolarHBondContact N-OD1 3.33Å; S243-N248 PolarHBondContact O-ND2 2.87Å; S243-D301 WeakPolarHBondContact CB-OD2 3.15Å; S243-D301 PolarHBondContact OG-OD2 3.13Å; S243-R326 PolarHBondContact O-NH1 3.44Å
244	Q	95.4	Very high	96	Very high	97 Å²	97	31.2 Å²	31.2	45%	0.453	15%	0.149	S	C	.	.	S	Bend	trans	-73.6	-20.9	169.4	-64.4	-159.2	42.1	0	0	112.4	R326 E457	Q244-R326 WeakPolarHBondContact O-CG 3.34Å; Q244-R326 PolarHBondContact O-NE 3.32Å; Q244-R326 PolarHBondContact O-NH1 3.2Å; Q244-R326 PolarHBondContact O-NH2 2.78Å; Q244-E457 PolarHBondContact NE2-O 3.15Å
245	F	98.2	Very high	96.1	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.039	16%	0.156	C	C	.	.	S	Bend	trans	-108.9	5.7	-172.9	-52.5	-69.8	0	0	0	112.9	S243 E294 C297 G298 R326 I327 L456 E457	S243-F245 VanDerWaalsContact C-N 3.25Å; S243-F245 PolarHBondContact OG-N 3Å; F245-E294 WeakPolarHBondContact CB-O 3.45Å; F245-E294 HydrophobicContact CD1-CB 3.75Å; F245-E294 HydrophobicContact CD1-CG 4.07Å; F245-E294 HydrophobicContact CE1-CB 3.95Å; F245-E294 HydrophobicContact CE1-CG 3.77Å; F245-E294 WeakPolarHBondContact CG-O 3.45Å; F245-C297 HydrophobicContact CD2-CB 3.3Å; F245-C297 HydrophobicContact CE2-CB 3.37Å; F245-C297 HydrophobicContact CG-CB 3.92Å; F245-C297 HydrophobicContact CZ-CB 4.05Å; F245-G298 VanDerWaalsContact CB-CA 3.47Å; F245-R326 CarbonylContact O-C 3.55Å; F245-R326 VanDerWaalsContact O-CA 3.3Å; F245-R326 WeakPolarHBondContact O-CA 3.4Å; F245-I327 PolarHBondContact O-N 2.99Å; F245-L456 HydrophobicContact CZ-CG 4.31Å; F245-E457 HydrophobicContact CE2-CG 4.15Å
246	V	98.2	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-123.1	145.2	170	-173.3	0	0	0	0	108.5	V241 S243 N248 L302 R326 I327 L330	V241-V246 HydrophobicContact CG1-CB 4.07Å; V241-V246 HydrophobicContact CG1-CG1 4.2Å; V241-V246 HydrophobicContact CG1-CG2 4.19Å; S243-V246 PolarHBondContact OG-N 3.4Å; V246-N248 PolarHBondContact O-N 2.68Å; V246-N248 PolarHBondContact O-ND2 3.39Å; V246-L302 HydrophobicContact CG2-CD1 4.41Å; V246-L302 HydrophobicContact CG2-CD2 4.29Å; V246-L302 HydrophobicContact CG2-CG 4.16Å; V246-R326 PolarHBondContact O-NH1 3.24Å; V246-I327 HydrophobicContact CG2-CB 4.41Å; V246-L330 HydrophobicContact CG1-CD1 4.03Å; V246-L330 HydrophobicContact CG1-CD2 4.2Å
247	V	97.4	Very high	95.9	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.03	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.8	126	173.5	-63.1	0	0	0	0	110	L238 M266 R326 I327	L238-V247 HydrophobicContact CD2-CG2 4.09Å; L238-V247 WeakPolarHBondContact CD2-O 3.43Å; V247-M266 HydrophobicContact CG1-CG 4.06Å; V247-R326 HydrophobicContact CG1-CB 4.01Å; V247-I327 PolarHBondContact N-O 2.71Å
248	N	96.8	Very high	95.9	Very high	19 Å²	19	40.9 Å²	40.9	10%	0.102	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-87.4	140.4	178.6	-67.8	-73	0	0	0	111	V241 S243 V246 L263 T264 R326 P510	V241-N248 PolarHBondContact O-OD1 3.19Å; S243-N248 PolarHBondContact N-OD1 3.33Å; S243-N248 PolarHBondContact O-ND2 2.87Å; V246-N248 PolarHBondContact O-N 2.68Å; V246-N248 PolarHBondContact O-ND2 3.39Å; N248-L263 CarbonylContact O-C 3.15Å; N248-L263 WeakPolarHBondContact O-CA 3.49Å; N248-T264 PolarHBondContact N-OG1 3.2Å; N248-T264 PolarHBondContact O-N 3.39Å; N248-T264 PolarHBondContact O-OG1 3.24Å; N248-R326 PolarHBondContact ND2-NH1 3.25Å; N248-R326 VanDerWaalsContact ND2-NH1 3.15Å; N248-P510 HydrophobicContact CB-CG 4.14Å
249	L	98.4	Very high	96	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.8	170.4	173.8	71.2	0	0	0	110.2	K235 L238 E239 Y251 A252 L261 L263 V507 P510	K235-L249 HydrophobicContact CG-CD2 4.09Å; L238-L249 HydrophobicContact CB-CB 3.8Å; L238-L249 HydrophobicContact CB-CD2 4.18Å; E239-L249 HydrophobicContact CB-CD2 4.28Å; L249-Y251 WeakPolarHBondContact CD1-O 3.19Å; L249-A252 HydrophobicContact CD2-CB 4.46Å; L249-L261 HydrophobicContact CD1-CB 3.85Å; L249-L261 HydrophobicContact CD1-CD2 3.74Å; L249-L261 HydrophobicContact CD1-CG 4.38Å; L249-L261 HydrophobicContact CD2-CD2 4.27Å; L249-L263 HydrophobicContact CB-CD2 4.01Å; L249-L263 HydrophobicContact CD1-CD2 3.74Å; L249-V507 HydrophobicContact CB-CG2 4.48Å; L249-V507 HydrophobicContact CD2-CG2 3.95Å; L249-V507 HydrophobicContact CG-CG2 3.83Å; L249-V507 WeakPolarHBondContact O-CB 3.36Å; L249-V507 WeakPolarHBondContact O-CG2 3.32Å; L249-P510 WeakPolarHBondContact O-CG 3.32Å
250	A	98.4	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-32.6	176.5	0	0	0	0	0	113.2	Y212 V262 V507 P510	Y212-A250 HydrophobicContact CD1-CB 4.24Å; Y212-A250 HydrophobicContact CE1-CB 3.51Å; A250-V262 PolarHBondContact N-O 3.07Å; A250-V507 PolarHBondContact O-N 3.45Å; A250-P510 HydrophobicContact CB-CB 4.04Å
251	Y	98.7	Very high	96.5	Very high	4 Å²	4	31 Å²	31	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	140.7	-179.9	-49.2	-97.5	0	0	0	111.9	V181 F186 V205 Y212 L249 V262 G505 W511 E514	V181-Y251 HydrophobicContact CG1-CD1 4.1Å; V181-Y251 HydrophobicContact CG2-CD1 3.8Å; V181-Y251 HydrophobicContact CG2-CE1 4.4Å; F186-Y251 AromaticContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CD2 3.92Å; F186-Y251 HydrophobicContact CE1-CE2 4.12Å; F186-Y251 HydrophobicContact CE1-CG 4.33Å; F186-Y251 HydrophobicContact CZ-CD1 4.15Å; F186-Y251 AromaticContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CD2 3.81Å; F186-Y251 HydrophobicContact CZ-CE2 4.31Å; F186-Y251 AromaticContact CZ-CG 3.74Å; F186-Y251 HydrophobicContact CZ-CG 3.74Å; V205-Y251 HydrophobicContact CG2-CE2 3.9Å; Y212-Y251 HydrophobicContact CE2-CE2 4.15Å; L249-Y251 WeakPolarHBondContact CD1-O 3.19Å; Y251-V262 HydrophobicContact CD2-CB 3.84Å; Y251-V262 HydrophobicContact CD2-CG1 3.74Å; Y251-V262 HydrophobicContact CD2-CG2 4.37Å; Y251-V262 HydrophobicContact CG-CB 4.31Å; Y251-V262 PolarHBondContact N-O 3.3Å; Y251-V262 PolarHBondContact O-N 3.15Å; Y251-G505 CarbonylContact C-O 3.53Å; Y251-G505 VanDerWaalsContact CA-O 3.29Å; Y251-G505 WeakPolarHBondContact CA-O 3.48Å; Y251-W511 AromaticContact CE1-CD1 3.66Å; Y251-W511 AromaticContact CZ-CD1 3.78Å; Y251-W511 VanDerWaalsContact OH-CD1 3.31Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.3Å; Y251-E514 VanDerWaalsContact OH-CD 3.26Å; Y251-E514 PolarHBondContact OH-OE1 2.97Å; Y251-E514 PolarHBondContact OH-OE2 2.94Å
252	A	98.5	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.7	167.8	0	0	0	0	0	109.9	K235 L249 C260 L261 F502 S503 T504 G505	K235-A252 HydrophobicContact CG-CB 4.14Å; L249-A252 HydrophobicContact CD2-CB 4.46Å; A252-C260 WeakPolarHBondContact CA-O 3.37Å; A252-L261 HydrophobicContact CB-CD2 4.16Å; A252-F502 HydrophobicContact CB-CE1 4.35Å; A252-F502 WeakPolarHBondContact CB-O 3.36Å; A252-S503 CarbonylContact O-C 3.5Å; A252-T504 PolarHBondContact O-N 3.32Å; A252-G505 PolarHBondContact N-O 2.92Å; A252-G505 WeakPolarHBondContact O-CA 3.49Å; A252-G505 PolarHBondContact O-N 3.22Å
253	Y	98.4	Very high	97.2	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.02	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	165.5	-177.5	73.1	-83.5	0	0	0	111.4	V181 F186 T255 C260 V262	V181-Y253 HydrophobicContact CG1-CD1 3.94Å; V181-Y253 HydrophobicContact CG1-CG 4.01Å; F186-Y253 AromaticContact CD2-CE1 3.9Å; F186-Y253 HydrophobicContact CD2-CE1 3.9Å; F186-Y253 AromaticContact CD2-CZ 3.94Å; F186-Y253 AromaticContact CE2-CD1 3.9Å; F186-Y253 HydrophobicContact CE2-CD1 3.9Å; F186-Y253 AromaticContact CE2-CE1 3.41Å; F186-Y253 HydrophobicContact CE2-CE1 3.41Å; F186-Y253 VanDerWaalsContact CE2-CE1 3.41Å; F186-Y253 AromaticContact CE2-CZ 3.9Å; F186-Y253 HydrophobicContact CZ-CE1 4.16Å; Y253-T255 HydrophobicContact CD2-CG2 4.37Å; Y253-T255 HydrophobicContact CE2-CG2 3.78Å; Y253-C260 HydrophobicContact CD1-CB 3.82Å; Y253-C260 HydrophobicContact CD2-CB 4.28Å; Y253-C260 HydrophobicContact CE1-CB 3.43Å; Y253-C260 VanDerWaalsContact CE1-CB 3.43Å; Y253-C260 HydrophobicContact CE2-CB 3.93Å; Y253-C260 HydrophobicContact CG-CB 4.22Å; Y253-C260 VanDerWaalsContact CZ-CB 3.47Å; Y253-C260 PolarHBondContact N-O 3.49Å; Y253-C260 VanDerWaalsContact N-O 3.09Å; Y253-C260 WeakPolarHBondContact O-CB 3.33Å; Y253-C260 PolarHBondContact O-N 2.96Å; Y253-V262 HydrophobicContact CD1-CG2 4.17Å; Y253-V262 HydrophobicContact CE1-CG2 3.63Å
254	E	96.9	Very high	97.3	Very high	87 Å²	87	28 Å²	28	41%	0.407	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	159.2	175.5	64.2	163.1	-161.5	0	0	113.7	K219 L259 Y499 S503	K219-E254 IonicContact NZ-OE2 2.61Å; K219-E254 PolarHBondContact NZ-OE2 3.39Å; E254-L259 HydrophobicContact CB-CD2 3.8Å; E254-Y499 WeakPolarHBondContact OE2-CB 3.29Å; E254-S503 WeakPolarHBondContact CB-OG 3.44Å; E254-S503 PolarHBondContact N-OG 3.24Å
255	T	96.2	Very high	97.3	Very high	30 Å²	30	24.4 Å²	24.4	18%	0.184	12%	0.121	C	C	.	.			trans	-124.2	179.7	166.3	65.6	0	0	0	0	108.7	K183 K219 Y253 D257 A258	K183-T255 HydrophobicContact CB-CG2 4.36Å; K219-T255 PolarHBondContact NZ-O 3.39Å; Y253-T255 HydrophobicContact CD2-CG2 4.37Å; Y253-T255 HydrophobicContact CE2-CG2 3.78Å; T255-D257 PolarHBondContact O-N 2.83Å; T255-A258 PolarHBondContact N-O 2.89Å; T255-A258 PolarHBondContact OG1-N 3.06Å; T255-A258 VanDerWaalsContact OG1-N 3.07Å; T255-A258 PolarHBondContact OG1-O 3.25Å
256	K	94	Very high	97.2	Very high	180 Å²	180	24.9 Å²	24.9	78%	0.783	12%	0.123	S	C	*	.	S	Bend	trans	-51.9	-41.4	174.7	-172	-178.7	178.8	-177.8	0	112.5
257	D	94.3	Very high	96.9	Very high	100 Å²	100	25.6 Å²	25.6	54%	0.535	13%	0.127	S	C	.	.	S	Bend	trans	-117	-10.7	-167.5	-54.6	-65.3	0	0	0	114.2	K219 T255	K219-D257 PolarHBondContact N-O 3.25Å; T255-D257 PolarHBondContact O-N 2.83Å
258	A	96.4	Very high	96.8	Very high	4 Å²	4	25.3 Å²	25.3	3%	0.033	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.1	-173.5	0	0	0	0	0	113.6	L217 T255	L217-A258 CarbonylContact O-C 3.58Å; L217-A258 WeakPolarHBondContact O-CA 3.49Å; L217-A258 WeakPolarHBondContact O-CB 3.36Å; T255-A258 PolarHBondContact N-O 2.89Å; T255-A258 PolarHBondContact OG1-N 3.06Å; T255-A258 VanDerWaalsContact OG1-N 3.07Å; T255-A258 PolarHBondContact OG1-O 3.25Å
259	L	97.8	Very high	96.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	140.9	162	-60.2	-179.8	0	0	0	109.2	R216 L217 K219 I222 E254 F498 Y499 F502	R216-L259 CarbonylContact C-O 3.42Å; L217-L259 HydrophobicContact CB-CB 4.39Å; L217-L259 PolarHBondContact N-O 2.79Å; L217-L259 PolarHBondContact O-N 3.04Å; K219-L259 HydrophobicContact CG-CG 4.34Å; I222-L259 HydrophobicContact CD1-CD1 3.94Å; I222-L259 HydrophobicContact CD1-CG 4.43Å; E254-L259 HydrophobicContact CB-CD2 3.8Å; L259-F498 HydrophobicContact CD1-CD1 4.48Å; L259-F498 HydrophobicContact CD1-CE1 3.5Å; L259-F498 VanDerWaalsContact CD1-CE1 3.5Å; L259-F498 HydrophobicContact CD1-CZ 3.53Å; L259-Y499 HydrophobicContact CD1-CD1 4.08Å; L259-Y499 HydrophobicContact CD1-CE1 4.4Å; L259-Y499 HydrophobicContact CD2-CD1 3.8Å; L259-Y499 HydrophobicContact CD2-CG 4.31Å; L259-Y499 HydrophobicContact CG-CD1 4.27Å; L259-F502 HydrophobicContact CB-CD1 3.96Å; L259-F502 HydrophobicContact CB-CE1 3.62Å; L259-F502 HydrophobicContact CB-CE2 4.45Å; L259-F502 HydrophobicContact CB-CZ 3.86Å; L259-F502 HydrophobicContact CD1-CB 4.32Å; L259-F502 HydrophobicContact CD1-CD1 4.1Å; L259-F502 HydrophobicContact CD1-CD2 3.93Å; L259-F502 HydrophobicContact CD1-CE1 4.4Å; L259-F502 HydrophobicContact CD1-CE2 4.2Å; L259-F502 HydrophobicContact CD1-CG 3.85Å; L259-F502 HydrophobicContact CD1-CZ 4.4Å; L259-F502 HydrophobicContact CD2-CD1 3.99Å; L259-F502 HydrophobicContact CD2-CE1 4.5Å; L259-F502 HydrophobicContact CD2-CG 4.35Å; L259-F502 HydrophobicContact CG-CD1 4.24Å; L259-F502 HydrophobicContact CG-CE1 4.39Å; L259-F502 HydrophobicContact CG-CG 4.47Å
260	C	98.4	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.8	-172.3	-59.7	0	0	0	0	110.8	K215 A252 Y253	K215-C260 WeakPolarHBondContact O-CA 3.44Å; A252-C260 WeakPolarHBondContact CA-O 3.37Å; Y253-C260 HydrophobicContact CD1-CB 3.82Å; Y253-C260 HydrophobicContact CD2-CB 4.28Å; Y253-C260 HydrophobicContact CE1-CB 3.43Å; Y253-C260 VanDerWaalsContact CE1-CB 3.43Å; Y253-C260 HydrophobicContact CE2-CB 3.93Å; Y253-C260 HydrophobicContact CG-CB 4.22Å; Y253-C260 VanDerWaalsContact CZ-CB 3.47Å; Y253-C260 PolarHBondContact N-O 3.49Å; Y253-C260 VanDerWaalsContact N-O 3.09Å; Y253-C260 WeakPolarHBondContact O-CB 3.33Å; Y253-C260 PolarHBondContact O-N 2.96Å
261	L	98.4	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.1	166.6	-60.6	174.7	0	0	0	108.5	C214 K215 E234 K235 L238 L249 A252 L263 F502	C214-L261 CarbonylContact C-O 3.51Å; C214-L261 WeakPolarHBondContact CA-O 3.39Å; K215-L261 HydrophobicContact CB-CB 4.32Å; K215-L261 PolarHBondContact N-O 3.15Å; K215-L261 PolarHBondContact O-N 2.95Å; E234-L261 HydrophobicContact CG-CD1 4.39Å; K235-L261 HydrophobicContact CB-CD2 3.94Å; K235-L261 HydrophobicContact CG-CD2 3.72Å; L238-L261 HydrophobicContact CD1-CD1 4.29Å; L249-L261 HydrophobicContact CD1-CB 3.85Å; L249-L261 HydrophobicContact CD1-CD2 3.74Å; L249-L261 HydrophobicContact CD1-CG 4.38Å; L249-L261 HydrophobicContact CD2-CD2 4.27Å; A252-L261 HydrophobicContact CB-CD2 4.16Å; L261-L263 HydrophobicContact CB-CD2 4.05Å; L261-L263 HydrophobicContact CB-CG 4.2Å; L261-F502 HydrophobicContact CD1-CZ 4.39Å; L261-F502 HydrophobicContact CD2-CE1 3.9Å; L261-F502 HydrophobicContact CD2-CE2 4.11Å; L261-F502 HydrophobicContact CD2-CZ 3.36Å; L261-F502 HydrophobicContact CG-CE1 4.46Å; L261-F502 HydrophobicContact CG-CZ 3.72Å
262	V	98.6	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	106	176.7	-175.8	0	0	0	0	108.2	F186 Y212 A213 A250 Y251 Y253	F186-V262 HydrophobicContact CE1-CG1 4.03Å; F186-V262 HydrophobicContact CE1-CG2 4.05Å; F186-V262 HydrophobicContact CE2-CG2 4.26Å; F186-V262 HydrophobicContact CZ-CG1 4.48Å; F186-V262 HydrophobicContact CZ-CG2 3.79Å; Y212-V262 HydrophobicContact CD1-CG1 4.02Å; Y212-V262 HydrophobicContact CD2-CG1 4.07Å; Y212-V262 HydrophobicContact CG-CG1 3.57Å; A213-V262 CarbonylContact O-C 3.45Å; A213-V262 WeakPolarHBondContact O-CA 3.46Å; A250-V262 PolarHBondContact N-O 3.07Å; Y251-V262 HydrophobicContact CD2-CB 3.84Å; Y251-V262 HydrophobicContact CD2-CG1 3.74Å; Y251-V262 HydrophobicContact CD2-CG2 4.37Å; Y251-V262 HydrophobicContact CG-CB 4.31Å; Y251-V262 PolarHBondContact N-O 3.3Å; Y251-V262 PolarHBondContact O-N 3.15Å; Y253-V262 HydrophobicContact CD1-CG2 4.17Å; Y253-V262 HydrophobicContact CE1-CG2 3.63Å
263	L	98.2	Very high	95.9	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.089	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	156.6	-169.5	-53.8	177.1	0	0	0	110.8	Y212 A213 K215 L238 N248 L249 L261 I265	Y212-L263 VanDerWaalsContact CD1-O 3.3Å; Y212-L263 WeakPolarHBondContact CD1-O 3.46Å; A213-L263 PolarHBondContact N-O 3.09Å; A213-L263 PolarHBondContact O-N 3.24Å; K215-L263 HydrophobicContact CB-CD1 4.22Å; K215-L263 HydrophobicContact CD-CD1 4.47Å; L238-L263 HydrophobicContact CD1-CD2 3.82Å; N248-L263 CarbonylContact O-C 3.15Å; N248-L263 WeakPolarHBondContact O-CA 3.49Å; L249-L263 HydrophobicContact CB-CD2 4.01Å; L249-L263 HydrophobicContact CD1-CD2 3.74Å; L261-L263 HydrophobicContact CB-CD2 4.05Å; L261-L263 HydrophobicContact CB-CG 4.2Å; L263-I265 PolarHBondContact O-N 3.35Å
264	T	96.4	Very high	95.8	Very high	31 Å²	31	34.2 Å²	34.2	19%	0.19	17%	0.168	C	C	.	.			trans	-44.7	128.3	168.5	-56.1	0	0	0	0	110.3	N248 M266	N248-T264 PolarHBondContact N-OG1 3.2Å; N248-T264 PolarHBondContact O-N 3.39Å; N248-T264 PolarHBondContact O-OG1 3.24Å; T264-M266 HydrophobicContact CG2-SD 3.91Å
265	I	95.8	Very high	95.7	Very high	21 Å²	21	30 Å²	30	11%	0.108	15%	0.149	C	C	.	.			trans	-81.3	132.4	178.7	-167.3	170	0	0	0	110.1	A202 M211 L263 N267	A202-I265 HydrophobicContact CB-CD1 4.13Å; M211-I265 HydrophobicContact CB-CD1 4.37Å; M211-I265 HydrophobicContact CB-CG2 4.08Å; M211-I265 HydrophobicContact CE-CD1 4.28Å; L263-I265 PolarHBondContact O-N 3.35Å; I265-N267 VanDerWaalsContact CD1-OD1 3.23Å; I265-N267 WeakPolarHBondContact CD1-OD1 3.4Å; I265-N267 WeakPolarHBondContact CG1-OD1 3.26Å
266	M	95.6	Very high	95.6	Very high	18 Å²	18	29.9 Å²	29.9	9%	0.089	15%	0.145	C	C	.	.			trans	-121.2	92.1	-179	-55.7	-57.9	-69.7	0	0	108	V247 T264 L318 L319 D320 R326	V247-M266 HydrophobicContact CG1-CG 4.06Å; T264-M266 HydrophobicContact CG2-SD 3.91Å; M266-L318 HydrophobicContact CB-CB 3.43Å; M266-L318 VanDerWaalsContact CB-CB 3.43Å; M266-L318 HydrophobicContact CB-CD1 3.92Å; M266-L318 HydrophobicContact CB-CG 4.33Å; M266-L318 HydrophobicContact CE-CB 4.32Å; M266-L318 WeakPolarHBondContact CE-O 3.22Å; M266-L318 HydrophobicContact CG-CB 3.72Å; M266-L318 HydrophobicContact CG-CD1 3.98Å; M266-L319 CarbonylContact C-O 2.99Å; M266-L319 WeakPolarHBondContact CA-O 3.18Å; M266-L319 WeakPolarHBondContact CB-O 3.36Å; M266-D320 HydrophobicContact CE-CB 3.82Å; M266-D320 HydrophobicContact SD-CB 4.16Å; M266-R326 HydrophobicContact CE-CB 3.69Å; M266-R326 HydrophobicContact CE-CG 3.53Å; M266-R326 HydrophobicContact SD-CB 4.27Å; M266-R326 HydrophobicContact SD-CG 4.05Å
267	N	91.7	Very high	95.2	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.08	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-16.9	-169.3	-71.4	-44.1	0	0	0	113.9	R16 I265 G269 L319 D321	R16-N267 PolarHBondContact NE-ND2 3.4Å; I265-N267 VanDerWaalsContact CD1-OD1 3.23Å; I265-N267 WeakPolarHBondContact CD1-OD1 3.4Å; I265-N267 WeakPolarHBondContact CG1-OD1 3.26Å; N267-G269 PolarHBondContact O-N 2.92Å; N267-L319 PolarHBondContact N-O 3.49Å; N267-D321 WeakPolarHBondContact CB-OD1 3.29Å; N267-D321 PolarHBondContact ND2-OD1 3.43Å; N267-D321 PolarHBondContact ND2-OD2 3.37Å
268	G	94.1	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.8	-179.4	0	0	0	0	0	113.9	H274 L319 Y473	G268-H274 PolarHBondContact O-NE2 3.4Å; G268-L319 WeakPolarHBondContact CA-O 3.46Å; G268-L319 PolarHBondContact N-O 3.04Å; G268-Y473 VanDerWaalsContact O-CB 3.32Å; G268-Y473 WeakPolarHBondContact O-CB 3.42Å
269	G	93.8	Very high	94.1	Very high	9 Å²	9	27.7 Å²	27.7	9%	0.093	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-177.6	-179.3	0	0	0	0	0	113.2	N267 L318 L319 Y473	N267-G269 PolarHBondContact O-N 2.92Å; G269-L318 WeakPolarHBondContact O-CA 3.28Å; G269-L319 PolarHBondContact O-N 3.33Å; G269-Y473 WeakPolarHBondContact CA-O 3.44Å
270	D	95.3	Very high	93.7	Very high	50 Å²	50	34.6 Å²	34.6	27%	0.267	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	152.9	-179.1	62.3	75.2	0	0	0	113	K272 F273 H274 I317 L318	D270-K272 PolarHBondContact O-N 3.01Å; D270-K272 WeakPolarHBondContact OD1-CB 3.43Å; D270-K272 PolarHBondContact OD1-N 2.67Å; D270-F273 WeakPolarHBondContact O-CB 3.48Å; D270-F273 PolarHBondContact O-N 3.17Å; D270-F273 PolarHBondContact OD1-N 3.47Å; D270-H274 PolarHBondContact O-CD2 3.45Å; D270-H274 VanDerWaalsContact O-CD2 3.28Å; D270-H274 PolarHBondContact O-N 2.96Å; D270-I317 CarbonylContact C-O 3.13Å; D270-I317 WeakPolarHBondContact CA-O 3.41Å; D270-L318 HydrophobicContact CB-CD2 3.63Å
271	L	96.8	Very high	93.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-28.7	-176.4	-162.5	69.1	0	0	0	112.3	F273 H274 I275 F283 Y291 P314 I317 L319 M378	L271-F273 VanDerWaalsContact C-N 3.35Å; L271-F273 PolarHBondContact O-N 3.32Å; L271-H274 PolarHBondContact O-N 2.77Å; L271-I275 HydrophobicContact CD2-CD1 4.34Å; L271-I275 HydrophobicContact CG-CD1 4.07Å; L271-I275 HydrophobicContact CG-CG1 4.34Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.36Å; L271-I275 PolarHBondContact O-N 2.84Å; L271-F283 HydrophobicContact CD1-CE2 3.71Å; L271-F283 HydrophobicContact CD1-CZ 3.88Å; L271-F283 HydrophobicContact CG-CE2 4.2Å; L271-F283 HydrophobicContact CG-CZ 4.37Å; L271-Y291 HydrophobicContact CD1-CD2 3.65Å; L271-Y291 HydrophobicContact CD1-CE2 3.78Å; L271-P314 HydrophobicContact CB-CB 4.2Å; L271-P314 VanDerWaalsContact CB-O 3.31Å; L271-P314 WeakPolarHBondContact CB-O 3.36Å; L271-P314 PolarHBondContact N-O 3.15Å; L271-P314 VanDerWaalsContact N-O 3.16Å; L271-I317 HydrophobicContact CB-CB 3.96Å; L271-I317 HydrophobicContact CB-CG2 4.29Å; L271-I317 HydrophobicContact CD2-CB 4.14Å; L271-I317 HydrophobicContact CD2-CG2 4.15Å; L271-I317 PolarHBondContact N-O 3.45Å; L271-L319 HydrophobicContact CD1-CD1 4.17Å; L271-M378 HydrophobicContact CD2-CG 4.03Å; L271-M378 HydrophobicContact CD2-SD 3.79Å
272	K	95.3	Very high	93.5	Very high	87 Å²	87	37.3 Å²	37.3	38%	0.378	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-46.4	173.7	-177	-177.8	-174.9	163.4	0	111	D270 H274 I275 Y276 P314 E315	D270-K272 PolarHBondContact O-N 3.01Å; D270-K272 WeakPolarHBondContact OD1-CB 3.43Å; D270-K272 PolarHBondContact OD1-N 2.67Å; K272-H274 VanDerWaalsContact C-N 3.28Å; K272-H274 PolarHBondContact O-N 3.3Å; K272-I275 PolarHBondContact O-N 3.39Å; K272-Y276 HydrophobicContact CB-CD2 4.44Å; K272-Y276 HydrophobicContact CG-CD2 3.53Å; K272-Y276 HydrophobicContact CG-CE2 3.92Å; K272-Y276 WeakPolarHBondContact O-CB 3.44Å; K272-Y276 VanDerWaalsContact O-CD2 3.23Å; K272-Y276 WeakPolarHBondContact O-CD2 3.5Å; K272-Y276 PolarHBondContact O-N 3.48Å; K272-P314 HydrophobicContact CB-CB 3.85Å; K272-P314 PolarHBondContact N-O 3.45Å; K272-E315 HydrophobicContact CB-CG 4.27Å; K272-E315 HydrophobicContact CD-CG 3.57Å; K272-E315 WeakPolarHBondContact CD-OE1 3.35Å; K272-E315 IonicContact NZ-OE1 2.69Å; K272-E315 PolarHBondContact NZ-OE1 2.83Å
273	F	92.6	Very high	93.4	Very high	68 Å²	68	38.3 Å²	38.3	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-57.1	-45.8	175.5	-178.5	-90.8	0	0	0	110.9	D270 L271 Y276 N277 M278 Y473	D270-F273 WeakPolarHBondContact O-CB 3.48Å; D270-F273 PolarHBondContact O-N 3.17Å; D270-F273 PolarHBondContact OD1-N 3.47Å; L271-F273 VanDerWaalsContact C-N 3.35Å; L271-F273 PolarHBondContact O-N 3.32Å; F273-Y276 PolarHBondContact O-N 2.97Å; F273-N277 HydrophobicContact CD2-CB 3.84Å; F273-N277 HydrophobicContact CE1-CB 4.47Å; F273-N277 HydrophobicContact CE2-CB 3.75Å; F273-N277 HydrophobicContact CG-CB 4.27Å; F273-N277 HydrophobicContact CZ-CB 4.09Å; F273-N277 WeakPolarHBondContact O-CA 3.08Å; F273-N277 VanDerWaalsContact O-CB 3.26Å; F273-N277 WeakPolarHBondContact O-CB 3.23Å; F273-N277 PolarHBondContact O-N 3.46Å; F273-M278 HydrophobicContact CD1-CG 4.39Å; F273-M278 HydrophobicContact CE1-CG 4.09Å; F273-Y473 HydrophobicContact CD1-CD1 4.11Å; F273-Y473 AromaticContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CE1 4.31Å
274	H	94.9	Very high	93.3	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-46.5	178.4	-73.7	-90.5	0	0	0	112.3	G268 D270 L271 K272 Y276 M278 F283 R287 F465	G268-H274 PolarHBondContact O-NE2 3.4Å; D270-H274 PolarHBondContact O-CD2 3.45Å; D270-H274 VanDerWaalsContact O-CD2 3.28Å; D270-H274 PolarHBondContact O-N 2.96Å; L271-H274 PolarHBondContact O-N 2.77Å; K272-H274 VanDerWaalsContact C-N 3.28Å; K272-H274 PolarHBondContact O-N 3.3Å; H274-Y276 PolarHBondContact O-N 3.33Å; H274-M278 HydrophobicContact CB-SD 4.45Å; H274-M278 VanDerWaalsContact CE1-SD 3.51Å; H274-M278 PolarHBondContact ND1-SD 3.21Å; H274-M278 WeakPolarHBondContact O-CB 3.46Å; H274-F283 VanDerWaalsContact C-CE1 3.47Å; H274-F283 HydrophobicContact CB-CE1 3.79Å; H274-F283 HydrophobicContact CB-CZ 3.57Å; H274-F283 WeakPolarHBondContact O-CE1 3.41Å; H274-R287 PolarHBondContact ND1-NH2 3.07Å; H274-F465 AromaticContact CE1-CE1 3.38Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.34Å; H274-F465 AromaticContact CE1-CZ 3.8Å; H274-F465 AromaticContact ND1-CE1 3.64Å; H274-F465 AromaticContact ND1-CZ 3.97Å
275	I	95.7	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.4	-40.2	-178.6	-67.7	169.7	0	0	0	111.6	L271 K272 P281 G282 F283 P314 E377 M378	L271-I275 HydrophobicContact CD2-CD1 4.34Å; L271-I275 HydrophobicContact CG-CD1 4.07Å; L271-I275 HydrophobicContact CG-CG1 4.34Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.36Å; L271-I275 PolarHBondContact O-N 2.84Å; K272-I275 PolarHBondContact O-N 3.39Å; I275-P281 VanDerWaalsContact O-CA 3.25Å; I275-P281 WeakPolarHBondContact O-CA 3.49Å; I275-G282 PolarHBondContact O-N 2.52Å; I275-F283 HydrophobicContact CB-CZ 4.28Å; I275-F283 HydrophobicContact CD1-CE2 4.43Å; I275-F283 HydrophobicContact CG1-CE1 4.04Å; I275-F283 HydrophobicContact CG1-CE2 3.66Å; I275-F283 HydrophobicContact CG1-CZ 3.38Å; I275-P314 HydrophobicContact CD1-CB 3.99Å; I275-P314 HydrophobicContact CD1-CG 4.02Å; I275-E377 HydrophobicContact CD1-CG 4.25Å; I275-M378 HydrophobicContact CD1-CG 3.95Å; I275-M378 HydrophobicContact CG1-CG 4.46Å
276	Y	92.9	Very high	93.3	Very high	27 Å²	27	52 Å²	52	11%	0.106	28%	0.278	C	S	.	.	H	α-helix	trans	-108.3	-18.7	-164.5	-69.9	-65.7	0	0	0	115.7	K272 F273 H274 E377 G381 R388	K272-Y276 HydrophobicContact CB-CD2 4.44Å; K272-Y276 HydrophobicContact CG-CD2 3.53Å; K272-Y276 HydrophobicContact CG-CE2 3.92Å; K272-Y276 WeakPolarHBondContact O-CB 3.44Å; K272-Y276 VanDerWaalsContact O-CD2 3.23Å; K272-Y276 WeakPolarHBondContact O-CD2 3.5Å; K272-Y276 PolarHBondContact O-N 3.48Å; F273-Y276 PolarHBondContact O-N 2.97Å; H274-Y276 PolarHBondContact O-N 3.33Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.14Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.28Å; Y276-E377 PolarHBondContact OH-OE1 3.3Å; Y276-G381 VanDerWaalsContact CE1-O 3.23Å; Y276-G381 WeakPolarHBondContact CE1-O 3.47Å; Y276-R388 HydrophobicContact CE1-CG 4.35Å; Y276-R388 PolarHBondContact O-NH2 2.88Å
277	N	87.4	Confident	93.4	Very high	103 Å²	103	52.4 Å²	52.4	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-120.6	-9.6	-171.7	-66.5	83.5	0	0	0	113.4	F273 G279	F273-N277 HydrophobicContact CD2-CB 3.84Å; F273-N277 HydrophobicContact CE1-CB 4.47Å; F273-N277 HydrophobicContact CE2-CB 3.75Å; F273-N277 HydrophobicContact CG-CB 4.27Å; F273-N277 HydrophobicContact CZ-CB 4.09Å; F273-N277 WeakPolarHBondContact O-CA 3.08Å; F273-N277 VanDerWaalsContact O-CB 3.26Å; F273-N277 WeakPolarHBondContact O-CB 3.23Å; F273-N277 PolarHBondContact O-N 3.46Å; N277-G279 PolarHBondContact O-N 3.21Å
278	M	82.1	Confident	93.8	Very high	67 Å²	67	51.7 Å²	51.7	33%	0.33	28%	0.275	S	S	.	.	S	Bend	trans	-97	76.1	175.3	-65	-164.3	66.4	0	0	111.8	F273 H274 F465 Y473	F273-M278 HydrophobicContact CD1-CG 4.39Å; F273-M278 HydrophobicContact CE1-CG 4.09Å; H274-M278 HydrophobicContact CB-SD 4.45Å; H274-M278 VanDerWaalsContact CE1-SD 3.51Å; H274-M278 PolarHBondContact ND1-SD 3.21Å; H274-M278 WeakPolarHBondContact O-CB 3.46Å; M278-F465 HydrophobicContact CE-CE2 3.66Å; M278-F465 HydrophobicContact CE-CZ 3.63Å; M278-F465 HydrophobicContact SD-CE2 4.44Å; M278-F465 HydrophobicContact SD-CZ 4Å; M278-Y473 HydrophobicContact SD-CE1 4.49Å
279	G	84.1	Confident	94	Very high	67 Å²	67	53.2 Å²	53.2	69%	0.691	28%	0.283	S	S	*	.	S	Bend	trans	79.7	-130.3	176.9	0	0	0	0	0	113.2	N277	N277-G279 PolarHBondContact O-N 3.21Å
280	N	90.5	Very high	94.2	Very high	146 Å²	146	53.4 Å²	53.4	78%	0.781	28%	0.281	S	S	*	.	S	Bend	trans	-75.7	138.4	178	-71.4	-28.1	0	0	0	110.1	G282	N280-G282 PolarHBondContact O-N 2.99Å
281	P	94.7	Very high	94.4	Very high	42 Å²	42	51 Å²	51	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-59.8	136.3	-178.4	-26.9	36	0	0	0	114.1	I275 R388 K411	I275-P281 VanDerWaalsContact O-CA 3.25Å; I275-P281 WeakPolarHBondContact O-CA 3.49Å; P281-R388 VanDerWaalsContact CG-NH1 3.32Å; P281-K411 PolarHBondContact O-NZ 3.49Å
282	G	96.1	Very high	94.5	Very high	14 Å²	14	51 Å²	51	14%	0.144	27%	0.269	C	S	.	.	S	Bend	trans	94.3	178.7	-176.6	0	0	0	0	0	113.3	I275 N280 M378	I275-G282 PolarHBondContact O-N 2.52Å; N280-G282 PolarHBondContact O-N 2.99Å; G282-M378 CarbonylContact C-O 3.35Å; G282-M378 WeakPolarHBondContact CA-O 3.47Å
283	F	96.8	Very high	94.6	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.096	25%	0.251	C	S	.	.			trans	-121.9	162	-179.1	-55.5	-35.7	0	0	0	110.8	L271 H274 I275 R287 Y291 M378	L271-F283 HydrophobicContact CD1-CE2 3.71Å; L271-F283 HydrophobicContact CD1-CZ 3.88Å; L271-F283 HydrophobicContact CG-CE2 4.2Å; L271-F283 HydrophobicContact CG-CZ 4.37Å; H274-F283 VanDerWaalsContact C-CE1 3.47Å; H274-F283 HydrophobicContact CB-CE1 3.79Å; H274-F283 HydrophobicContact CB-CZ 3.57Å; H274-F283 WeakPolarHBondContact O-CE1 3.41Å; I275-F283 HydrophobicContact CB-CZ 4.28Å; I275-F283 HydrophobicContact CD1-CE2 4.43Å; I275-F283 HydrophobicContact CG1-CE1 4.04Å; I275-F283 HydrophobicContact CG1-CE2 3.66Å; I275-F283 HydrophobicContact CG1-CZ 3.38Å; F283-R287 HydrophobicContact CB-CB 4.18Å; F283-R287 HydrophobicContact CB-CG 4.36Å; F283-R287 HydrophobicContact CD2-CG 4.25Å; F283-R287 HydrophobicContact CG-CG 4.26Å; F283-Y291 HydrophobicContact CD2-CD2 4.46Å; F283-Y291 HydrophobicContact CE2-CD2 4.11Å; F283-Y291 HydrophobicContact CE2-CE2 4.15Å; F283-M378 HydrophobicContact CD2-CB 3.81Å; F283-M378 HydrophobicContact CD2-CG 3.86Å; F283-M378 HydrophobicContact CD2-SD 4.14Å; F283-M378 HydrophobicContact CE2-CB 4.2Å; F283-M378 HydrophobicContact CE2-CG 3.76Å; F283-M378 HydrophobicContact CE2-SD 4.04Å; F283-M378 PolarHBondContact N-O 3.42Å
284	E	96.1	Very high	94.9	Very high	158 Å²	158	43.7 Å²	43.7	74%	0.738	24%	0.236	S	C	*	.			trans	-63.1	147.7	158.6	-61.8	-57.8	147.5	0	0	110.2	E286 R287 A288	E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 2.93Å; E284-R287 PolarHBondContact O-N 3.1Å; E284-A288 PolarHBondContact O-N 3.02Å
285	E	96.3	Very high	95.1	Very high	51 Å²	51	43.6 Å²	43.6	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-36	-172.5	-169.4	172.1	132.3	0	0	112.7	R287 A288 L289 I379 S413 A416 F447	E285-R287 VanDerWaalsContact C-N 3.3Å; E285-R287 PolarHBondContact O-N 3.39Å; E285-A288 PolarHBondContact O-N 3.12Å; E285-L289 VanDerWaalsContact O-CB 3.26Å; E285-L289 WeakPolarHBondContact O-CB 3.43Å; E285-L289 PolarHBondContact O-N 3.02Å; E285-I379 HydrophobicContact CG-CD1 4.36Å; E285-S413 WeakPolarHBondContact OE1-CB 3.47Å; E285-S413 PolarHBondContact OE1-OG 2.84Å; E285-S413 WeakPolarHBondContact OE2-CB 3.44Å; E285-S413 PolarHBondContact OE2-N 2.67Å; E285-S413 VanDerWaalsContact OE2-N 3.14Å; E285-S413 PolarHBondContact OE2-OG 3.47Å; E285-A416 HydrophobicContact CG-CB 4.38Å; E285-F447 HydrophobicContact CG-CE2 4.02Å
286	E	97.1	Very high	95.3	Very high	146 Å²	146	43.6 Å²	43.6	68%	0.682	24%	0.236	S	C	*	.	H	α-helix	trans	-56.7	-42	176.2	-177.7	178.9	-168.1	0	0	112.4	E284 F290 P464	E284-E286 VanDerWaalsContact C-N 3.27Å; E284-E286 PolarHBondContact O-N 2.93Å; E286-F290 PolarHBondContact O-N 3.17Å; E286-P464 HydrophobicContact CG-CB 4.39Å
287	R	97.9	Very high	95.5	Very high	28 Å²	28	42.4 Å²	42.4	11%	0.106	23%	0.232	C	C	.	.	H	α-helix	trans	-71.6	-41.2	177.9	-177.9	177.5	-173.8	-162.3	-3.9	111.6	H274 F283 E284 E285 L289 F290 Y291 P464	H274-R287 PolarHBondContact ND1-NH2 3.07Å; F283-R287 HydrophobicContact CB-CB 4.18Å; F283-R287 HydrophobicContact CB-CG 4.36Å; F283-R287 HydrophobicContact CD2-CG 4.25Å; F283-R287 HydrophobicContact CG-CG 4.26Å; E284-R287 PolarHBondContact O-N 3.1Å; E285-R287 VanDerWaalsContact C-N 3.3Å; E285-R287 PolarHBondContact O-N 3.39Å; R287-L289 VanDerWaalsContact C-N 3.35Å; R287-F290 PolarHBondContact O-N 2.95Å; R287-Y291 HydrophobicContact CG-CD2 4.04Å; R287-Y291 HydrophobicContact CG-CE2 3.55Å; R287-Y291 PolarHBondContact NE-OH 2.83Å; R287-Y291 PolarHBondContact NH2-OH 3.43Å; R287-Y291 VanDerWaalsContact NH2-OH 3.13Å; R287-Y291 PolarHBondContact O-N 3.15Å; R287-Y291 VanDerWaalsContact O-N 3.14Å; R287-P464 HydrophobicContact CB-CG 4.06Å; R287-P464 HydrophobicContact CG-CG 4.26Å
288	A	98.4	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63	-42.1	175.7	0	0	0	0	0	111.6	E284 E285 A292 M378 I379	E284-A288 PolarHBondContact O-N 3.02Å; E285-A288 PolarHBondContact O-N 3.12Å; A288-A292 WeakPolarHBondContact O-CB 3.48Å; A288-A292 PolarHBondContact O-N 3.15Å; A288-M378 HydrophobicContact CB-CB 3.82Å; A288-M378 HydrophobicContact CB-CE 4.26Å; A288-M378 HydrophobicContact CB-SD 4.4Å; A288-M378 WeakPolarHBondContact O-CE 3.32Å; A288-I379 HydrophobicContact CB-CD1 4.42Å; A288-I379 HydrophobicContact CB-CG1 3.76Å
289	L	98.6	Very high	96.9	Very high	32 Å²	32	34.3 Å²	34.3	17%	0.168	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-50.2	175.7	-178.1	167.6	0	0	0	111.2	E285 R287 Y291 A292 A293 F447 F448 M451	E285-L289 VanDerWaalsContact O-CB 3.26Å; E285-L289 WeakPolarHBondContact O-CB 3.43Å; E285-L289 PolarHBondContact O-N 3.02Å; R287-L289 VanDerWaalsContact C-N 3.35Å; L289-Y291 PolarHBondContact O-N 3.45Å; L289-A292 PolarHBondContact O-N 2.81Å; L289-A293 WeakPolarHBondContact O-CB 3.22Å; L289-A293 PolarHBondContact O-N 3.3Å; L289-F447 HydrophobicContact CB-CE1 3.93Å; L289-F447 HydrophobicContact CB-CE2 4.25Å; L289-F447 HydrophobicContact CB-CZ 3.62Å; L289-F447 WeakPolarHBondContact CD1-O 3.48Å; L289-F447 HydrophobicContact CG-CD1 4.36Å; L289-F447 HydrophobicContact CG-CE1 3.94Å; L289-F447 HydrophobicContact CG-CZ 4.05Å; L289-F448 HydrophobicContact CD2-CD1 4.04Å; L289-F448 HydrophobicContact CD2-CE1 4.41Å; L289-F448 HydrophobicContact CG-CD1 4.08Å; L289-F448 HydrophobicContact CG-CE1 4.29Å; L289-M451 HydrophobicContact CD2-CE 3.65Å
290	F	98.8	Very high	97.5	Very high	13 Å²	13	33.4 Å²	33.4	6%	0.057	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-50.3	179.9	-171.7	-86.9	0	0	0	111.4	E286 R287 A292 A293 E294 M451 L456 L461 P463 P464	E286-F290 PolarHBondContact O-N 3.17Å; R287-F290 PolarHBondContact O-N 2.95Å; F290-A292 PolarHBondContact O-N 2.83Å; F290-A293 WeakPolarHBondContact O-CB 3.34Å; F290-A293 PolarHBondContact O-N 2.97Å; F290-E294 HydrophobicContact CD1-CG 4.35Å; F290-E294 VanDerWaalsContact CE1-CD 3.43Å; F290-E294 HydrophobicContact CE1-CG 4.04Å; F290-E294 WeakPolarHBondContact CE1-OE2 3.34Å; F290-E294 PolarHBondContact O-N 2.87Å; F290-E294 VanDerWaalsContact O-N 3.13Å; F290-M451 HydrophobicContact CD2-CE 4.08Å; F290-L456 HydrophobicContact CE2-CD1 3.89Å; F290-L456 HydrophobicContact CZ-CD1 3.85Å; F290-L461 HydrophobicContact CE2-CB 3.94Å; F290-P463 HydrophobicContact CD1-CB 4.42Å; F290-P463 HydrophobicContact CE1-CB 3.81Å; F290-P463 HydrophobicContact CE1-CG 3.87Å; F290-P463 HydrophobicContact CZ-CB 4.07Å; F290-P463 HydrophobicContact CZ-CG 3.89Å; F290-P464 HydrophobicContact CB-CG 3.87Å; F290-P464 VanDerWaalsContact CG-CD 3.46Å; F290-P464 HydrophobicContact CG-CG 4.15Å
291	Y	98.8	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-37.5	178	-63.5	-25.5	0	0	0	112.8	L271 F283 R287 L289 A293 E294 I295 L319 G323 I325 M378	L271-Y291 HydrophobicContact CD1-CD2 3.65Å; L271-Y291 HydrophobicContact CD1-CE2 3.78Å; F283-Y291 HydrophobicContact CD2-CD2 4.46Å; F283-Y291 HydrophobicContact CE2-CD2 4.11Å; F283-Y291 HydrophobicContact CE2-CE2 4.15Å; R287-Y291 HydrophobicContact CG-CD2 4.04Å; R287-Y291 HydrophobicContact CG-CE2 3.55Å; R287-Y291 PolarHBondContact NE-OH 2.83Å; R287-Y291 PolarHBondContact NH2-OH 3.43Å; R287-Y291 VanDerWaalsContact NH2-OH 3.13Å; R287-Y291 PolarHBondContact O-N 3.15Å; R287-Y291 VanDerWaalsContact O-N 3.14Å; L289-Y291 PolarHBondContact O-N 3.45Å; Y291-A293 VanDerWaalsContact C-N 3.28Å; Y291-A293 PolarHBondContact O-N 3.42Å; Y291-E294 PolarHBondContact O-N 3.22Å; Y291-I295 WeakPolarHBondContact O-CB 3.5Å; Y291-I295 WeakPolarHBondContact O-CD1 3.3Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.15Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.14Å; Y291-G323 WeakPolarHBondContact CE1-O 3.35Å; Y291-I325 HydrophobicContact CD1-CG1 4.41Å; Y291-I325 HydrophobicContact CD1-CG2 3.52Å; Y291-I325 HydrophobicContact CE1-CG2 3.78Å; Y291-I325 HydrophobicContact CG-CG2 3.96Å; Y291-M378 HydrophobicContact CD2-SD 4.15Å
292	A	98.9	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-37.7	175.1	0	0	0	0	0	112.1	A288 L289 F290 L296 L371 I375 M378 F447 F448	A288-A292 WeakPolarHBondContact O-CB 3.48Å; A288-A292 PolarHBondContact O-N 3.15Å; L289-A292 PolarHBondContact O-N 2.81Å; F290-A292 PolarHBondContact O-N 2.83Å; A292-L296 VanDerWaalsContact O-CB 3.29Å; A292-L296 WeakPolarHBondContact O-CB 3.12Å; A292-L296 PolarHBondContact O-N 3.16Å; A292-L371 HydrophobicContact CB-CD1 4.39Å; A292-I375 HydrophobicContact CB-CD1 3.96Å; A292-I375 HydrophobicContact CB-CG1 3.68Å; A292-M378 HydrophobicContact CB-CE 4.21Å; A292-F447 HydrophobicContact CB-CE1 4.26Å; A292-F448 HydrophobicContact CB-CE1 4.16Å; A292-F448 HydrophobicContact CB-CZ 3.97Å
293	A	98.8	Very high	98	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.4	-44.3	176	0	0	0	0	0	111.7	L289 F290 Y291 L296 C297 F448 M451 F453 L456	L289-A293 WeakPolarHBondContact O-CB 3.22Å; L289-A293 PolarHBondContact O-N 3.3Å; F290-A293 WeakPolarHBondContact O-CB 3.34Å; F290-A293 PolarHBondContact O-N 2.97Å; Y291-A293 VanDerWaalsContact C-N 3.28Å; Y291-A293 PolarHBondContact O-N 3.42Å; A293-L296 PolarHBondContact O-N 3.38Å; A293-C297 PolarHBondContact O-N 3.24Å; A293-C297 PolarHBondContact O-SG 2.82Å; A293-F448 HydrophobicContact CB-CD1 4.07Å; A293-F448 HydrophobicContact CB-CE1 3.72Å; A293-M451 HydrophobicContact CB-CE 3.9Å; A293-M451 HydrophobicContact CB-CG 3.95Å; A293-M451 HydrophobicContact CB-SD 4.29Å; A293-F453 HydrophobicContact CB-CE1 3.77Å; A293-F453 HydrophobicContact CB-CZ 4.1Å; A293-L456 HydrophobicContact CB-CD2 3.53Å
294	E	98.8	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.7	-41.4	176.2	-67.6	-164.7	128.7	0	0	112.2	F245 F290 Y291 L296 C297 G298 H324 I325 L456	F245-E294 WeakPolarHBondContact CB-O 3.45Å; F245-E294 HydrophobicContact CD1-CB 3.75Å; F245-E294 HydrophobicContact CD1-CG 4.07Å; F245-E294 HydrophobicContact CE1-CB 3.95Å; F245-E294 HydrophobicContact CE1-CG 3.77Å; F245-E294 WeakPolarHBondContact CG-O 3.45Å; F290-E294 HydrophobicContact CD1-CG 4.35Å; F290-E294 VanDerWaalsContact CE1-CD 3.43Å; F290-E294 HydrophobicContact CE1-CG 4.04Å; F290-E294 WeakPolarHBondContact CE1-OE2 3.34Å; F290-E294 PolarHBondContact O-N 2.87Å; F290-E294 VanDerWaalsContact O-N 3.13Å; Y291-E294 PolarHBondContact O-N 3.22Å; E294-L296 VanDerWaalsContact C-N 3.31Å; E294-L296 PolarHBondContact O-N 2.83Å; E294-C297 PolarHBondContact O-N 3.43Å; E294-G298 PolarHBondContact O-N 3.45Å; E294-H324 IonicContact OE1-CE1 2.69Å; E294-H324 IonicContact OE1-CG 3.39Å; E294-H324 IonicContact OE1-ND1 2.94Å; E294-H324 PolarHBondContact OE1-ND1 3.14Å; E294-I325 HydrophobicContact CB-CD1 3.48Å; E294-I325 VanDerWaalsContact CB-CD1 3.48Å; E294-I325 HydrophobicContact CB-CG1 3.65Å; E294-I325 WeakPolarHBondContact OE2-CG1 2.97Å; E294-I325 PolarHBondContact OE2-N 2.71Å; E294-L456 HydrophobicContact CG-CD1 3.83Å; E294-L456 HydrophobicContact CG-CD2 4.12Å; E294-L456 HydrophobicContact CG-CG 4.23Å
295	I	98.9	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-43.7	176.2	-67.7	160.1	0	0	0	109.6	Y291 C297 G298 L299 L312 I317 I325 L371 L374	Y291-I295 WeakPolarHBondContact O-CB 3.5Å; Y291-I295 WeakPolarHBondContact O-CD1 3.3Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.15Å; I295-C297 PolarHBondContact O-N 3.37Å; I295-G298 PolarHBondContact O-N 2.63Å; I295-G298 VanDerWaalsContact O-N 3.16Å; I295-L299 HydrophobicContact CG2-CD1 4.26Å; I295-L299 HydrophobicContact CG2-CG 4.34Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 3.23Å; I295-L312 HydrophobicContact CG2-CD1 3.97Å; I295-L312 HydrophobicContact CG2-CD2 3.9Å; I295-I317 HydrophobicContact CD1-CD1 4.45Å; I295-I317 HydrophobicContact CD1-CG1 4.22Å; I295-I317 HydrophobicContact CD1-CG2 4.34Å; I295-I317 HydrophobicContact CG1-CD1 4.15Å; I295-I317 HydrophobicContact CG1-CG1 4.42Å; I295-I317 HydrophobicContact CG1-CG2 4.36Å; I295-I325 HydrophobicContact CG1-CD1 3.76Å; I295-I325 HydrophobicContact CG1-CG1 4.17Å; I295-L371 HydrophobicContact CB-CD1 4.21Å; I295-L371 HydrophobicContact CG2-CD1 3.87Å; I295-L374 HydrophobicContact CD1-CD1 3.75Å
296	L	98.8	Very high	97.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-44.3	177.1	177.3	62.4	0	0	0	111.8	A292 A293 E294 G298 L299 E300 Y368 L371 A439 V442 K443 F448 F453	A292-L296 VanDerWaalsContact O-CB 3.29Å; A292-L296 WeakPolarHBondContact O-CB 3.12Å; A292-L296 PolarHBondContact O-N 3.16Å; A293-L296 PolarHBondContact O-N 3.38Å; E294-L296 VanDerWaalsContact C-N 3.31Å; E294-L296 PolarHBondContact O-N 2.83Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3.04Å; L296-L299 PolarHBondContact O-N 3.45Å; L296-E300 WeakPolarHBondContact O-CB 3.37Å; L296-E300 PolarHBondContact O-N 3.03Å; L296-Y368 HydrophobicContact CD1-CE1 4.12Å; L296-L371 HydrophobicContact CB-CD2 4.31Å; L296-L371 HydrophobicContact CD1-CD2 4.1Å; L296-A439 HydrophobicContact CD1-CB 4.08Å; L296-V442 HydrophobicContact CD1-CB 4.01Å; L296-V442 HydrophobicContact CD1-CG1 4.03Å; L296-V442 HydrophobicContact CD1-CG2 4.21Å; L296-V442 HydrophobicContact CD2-CB 3.81Å; L296-V442 HydrophobicContact CD2-CG1 3.67Å; L296-V442 HydrophobicContact CG-CG1 4.49Å; L296-K443 HydrophobicContact CD2-CG 3.68Å; L296-F448 HydrophobicContact CD2-CE2 4.29Å; L296-F453 HydrophobicContact CD2-CE1 4.16Å; L296-F453 HydrophobicContact CD2-CZ 4.19Å
297	C	98.6	Very high	97.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-41.1	173.8	-70.9	0	0	0	0	112	F245 A293 E294 I295 E300 D301	F245-C297 HydrophobicContact CD2-CB 3.3Å; F245-C297 HydrophobicContact CE2-CB 3.37Å; F245-C297 HydrophobicContact CG-CB 3.92Å; F245-C297 HydrophobicContact CZ-CB 4.05Å; A293-C297 PolarHBondContact O-N 3.24Å; A293-C297 PolarHBondContact O-SG 2.82Å; E294-C297 PolarHBondContact O-N 3.43Å; I295-C297 PolarHBondContact O-N 3.37Å; C297-E300 PolarHBondContact O-N 3.37Å; C297-D301 PolarHBondContact O-N 3.39Å
298	G	98.5	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.9	-39.4	175.3	0	0	0	0	0	113.6	F245 E294 I295 L296 D301 L302	F245-G298 VanDerWaalsContact CB-CA 3.47Å; E294-G298 PolarHBondContact O-N 3.45Å; I295-G298 PolarHBondContact O-N 2.63Å; I295-G298 VanDerWaalsContact O-N 3.16Å; L296-G298 VanDerWaalsContact C-N 3.34Å; L296-G298 PolarHBondContact O-N 3.04Å; G298-D301 PolarHBondContact O-N 3.47Å; G298-L302 WeakPolarHBondContact O-CG 3.33Å; G298-L302 PolarHBondContact O-N 2.8Å
299	L	98.6	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-44.8	173.3	-69.6	179.4	0	0	0	111.2	I295 L296 D301 L302 H303 L312 I327 D367 L371	I295-L299 HydrophobicContact CG2-CD1 4.26Å; I295-L299 HydrophobicContact CG2-CG 4.34Å; I295-L299 WeakPolarHBondContact O-CG 3.43Å; I295-L299 PolarHBondContact O-N 3.23Å; L296-L299 PolarHBondContact O-N 3.45Å; L299-D301 VanDerWaalsContact C-N 3.29Å; L299-D301 PolarHBondContact O-N 3.44Å; L299-L302 PolarHBondContact O-N 2.94Å; L299-L302 VanDerWaalsContact O-N 3.15Å; L299-H303 VanDerWaalsContact O-CB 3.32Å; L299-H303 WeakPolarHBondContact O-CB 3.32Å; L299-H303 PolarHBondContact O-CD2 3.26Å; L299-H303 PolarHBondContact O-N 2.82Å; L299-L312 HydrophobicContact CD1-CD2 4.09Å; L299-I327 HydrophobicContact CD2-CD1 3.99Å; L299-I327 HydrophobicContact CG-CD1 4.2Å; L299-D367 HydrophobicContact CD1-CB 4.12Å; L299-D367 HydrophobicContact CD2-CB 3.84Å; L299-L371 HydrophobicContact CD1-CB 4.35Å
300	E	97.8	Very high	97.7	Very high	49 Å²	49	20.5 Å²	20.5	23%	0.229	9%	0.09	C	C	.	.	H	α-helix	trans	-58.3	-41.6	176.9	-171.4	-174.1	161	0	0	111.8	L296 C297 L302 H303 R304 A439 K443	L296-E300 WeakPolarHBondContact O-CB 3.37Å; L296-E300 PolarHBondContact O-N 3.03Å; C297-E300 PolarHBondContact O-N 3.37Å; E300-L302 VanDerWaalsContact C-N 3.35Å; E300-L302 PolarHBondContact O-N 2.82Å; E300-H303 PolarHBondContact O-N 2.84Å; E300-R304 WeakPolarHBondContact O-CB 3.03Å; E300-R304 PolarHBondContact O-N 3.04Å; E300-R304 IonicContact OE1-NH2 3.28Å; E300-R304 PolarHBondContact OE1-NH2 3Å; E300-A439 HydrophobicContact CB-CB 3.99Å; E300-A439 HydrophobicContact CG-CB 3.86Å; E300-K443 IonicContact OE1-NZ 2.71Å; E300-K443 WeakPolarHBondContact OE2-CE 3.48Å; E300-K443 IonicContact OE2-NZ 3.39Å; E300-K443 PolarHBondContact OE2-NZ 3.37Å
301	D	97.3	Very high	97.6	Very high	31 Å²	31	20.4 Å²	20.4	17%	0.166	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-38.4	177	-72.8	-21.9	0	0	0	112.8	S243 C297 G298 L299 R304	S243-D301 WeakPolarHBondContact CB-OD2 3.15Å; S243-D301 PolarHBondContact OG-OD2 3.13Å; C297-D301 PolarHBondContact O-N 3.39Å; G298-D301 PolarHBondContact O-N 3.47Å; L299-D301 VanDerWaalsContact C-N 3.29Å; L299-D301 PolarHBondContact O-N 3.44Å; D301-R304 IonicContact OD1-CZ 3.9Å; D301-R304 IonicContact OD1-NH1 3.83Å; D301-R304 PolarHBondContact OD1-NH1 3.06Å; D301-R304 IonicContact OD1-NH2 2.81Å; D301-R304 PolarHBondContact OD1-NH2 2.73Å
302	L	97.6	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-69.2	-42.6	173.6	-66.3	173.2	0	0	0	111.4	V241 V246 G298 L299 E300 R304 E305 T307 Y309 I327 L330	V241-L302 HydrophobicContact CB-CD2 4.48Å; V241-L302 HydrophobicContact CG1-CD2 4.05Å; V241-L302 HydrophobicContact CG2-CD2 3.67Å; V246-L302 HydrophobicContact CG2-CD1 4.41Å; V246-L302 HydrophobicContact CG2-CD2 4.29Å; V246-L302 HydrophobicContact CG2-CG 4.16Å; G298-L302 WeakPolarHBondContact O-CG 3.33Å; G298-L302 PolarHBondContact O-N 2.8Å; L299-L302 PolarHBondContact O-N 2.94Å; L299-L302 VanDerWaalsContact O-N 3.15Å; E300-L302 VanDerWaalsContact C-N 3.35Å; E300-L302 PolarHBondContact O-N 2.82Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 2.73Å; L302-E305 PolarHBondContact O-N 2.99Å; L302-E305 VanDerWaalsContact O-N 3.13Å; L302-T307 CarbonylContact C-O 3.6Å; L302-T307 WeakPolarHBondContact O-CB 3.46Å; L302-T307 PolarHBondContact O-N 3.21Å; L302-Y309 HydrophobicContact CD1-CD2 4.32Å; L302-Y309 HydrophobicContact CD1-CG 4.3Å; L302-I327 HydrophobicContact CD1-CD1 4.5Å; L302-L330 HydrophobicContact CD2-CD2 4.02Å
303	H	96.8	Very high	97.5	Very high	17 Å²	17	22 Å²	22	8%	0.079	10%	0.098	C	C	.	.	H	α-helix	trans	-66.6	-33.7	-178.2	-70.8	-173.3	0	0	0	112.1	L299 E300 E305 N306 T307 L364 D367 Y368	L299-H303 VanDerWaalsContact O-CB 3.32Å; L299-H303 WeakPolarHBondContact O-CB 3.32Å; L299-H303 PolarHBondContact O-CD2 3.26Å; L299-H303 PolarHBondContact O-N 2.82Å; E300-H303 PolarHBondContact O-N 2.84Å; H303-E305 PolarHBondContact O-N 2.85Å; H303-N306 VanDerWaalsContact O-CA 3.28Å; H303-N306 WeakPolarHBondContact O-CA 3.27Å; H303-N306 PolarHBondContact O-N 3.04Å; H303-T307 PolarHBondContact CD2-O 3.38Å; H303-L364 HydrophobicContact CB-CD1 3.77Å; H303-D367 IonicContact CD2-OD2 2.72Å; H303-D367 IonicContact CE1-OD2 2.77Å; H303-D367 IonicContact NE2-OD2 3.92Å; H303-D367 PolarHBondContact NE2-OD2 2.86Å; H303-Y368 AromaticContact CE1-CE2 3.8Å; H303-Y368 AromaticContact CE1-CZ 3.91Å; H303-Y368 AromaticContact ND1-CE2 3.95Å; H303-Y368 AromaticContact ND1-CZ 3.82Å; H303-Y368 PolarHBondContact ND1-OH 3.45Å
304	R	93.9	Very high	97.4	Very high	150 Å²	150	22 Å²	22	57%	0.566	10%	0.098	S	C	*	.	H	α-helix	trans	-60.4	-28.2	173.4	-162.3	177.9	-57.3	111.5	2.4	112.7	E300 D301 L302 N306	E300-R304 WeakPolarHBondContact O-CB 3.03Å; E300-R304 PolarHBondContact O-N 3.04Å; E300-R304 IonicContact OE1-NH2 3.28Å; E300-R304 PolarHBondContact OE1-NH2 3Å; D301-R304 IonicContact OD1-CZ 3.9Å; D301-R304 IonicContact OD1-NH1 3.83Å; D301-R304 PolarHBondContact OD1-NH1 3.06Å; D301-R304 IonicContact OD1-NH2 2.81Å; D301-R304 PolarHBondContact OD1-NH2 2.73Å; L302-R304 VanDerWaalsContact C-N 3.33Å; L302-R304 PolarHBondContact O-N 2.73Å; R304-N306 VanDerWaalsContact C-N 3.29Å
305	E	92.4	Very high	97.3	Very high	79 Å²	79	25 Å²	25	37%	0.369	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	14.1	172.9	-72.1	-63.2	146.8	0	0	113.3	L302 H303 T307 K335	L302-E305 PolarHBondContact O-N 2.99Å; L302-E305 VanDerWaalsContact O-N 3.13Å; H303-E305 PolarHBondContact O-N 2.85Å; E305-T307 PolarHBondContact O-N 3.18Å; E305-T307 PolarHBondContact O-OG1 3.13Å; E305-K335 VanDerWaalsContact O-CE 3.23Å; E305-K335 WeakPolarHBondContact O-CE 3.45Å; E305-K335 PolarHBondContact O-NZ 3.11Å; E305-K335 IonicContact OE2-NZ 3.58Å; E305-K335 PolarHBondContact OE2-NZ 2.94Å
306	N	95.3	Very high	97.2	Very high	46 Å²	46	25.5 Å²	25.5	25%	0.246	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	39.7	-171.9	-155.7	25.3	0	0	0	112.6	H303 R304 K335 I336 P337	H303-N306 VanDerWaalsContact O-CA 3.28Å; H303-N306 WeakPolarHBondContact O-CA 3.27Å; H303-N306 PolarHBondContact O-N 3.04Å; R304-N306 VanDerWaalsContact C-N 3.29Å; N306-K335 CarbonylContact O-C 3.53Å; N306-I336 PolarHBondContact ND2-O 3.26Å; N306-I336 PolarHBondContact O-N 2.73Å; N306-P337 PolarHBondContact ND2-O 2.89Å
307	T	97.5	Very high	97.2	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.031	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.6	-178.7	-61.9	0	0	0	0	110.5	I237 L302 H303 E305 A333 V334	I237-T307 HydrophobicContact CD1-CG2 4.08Å; I237-T307 HydrophobicContact CG2-CG2 3.99Å; L302-T307 CarbonylContact C-O 3.6Å; L302-T307 WeakPolarHBondContact O-CB 3.46Å; L302-T307 PolarHBondContact O-N 3.21Å; H303-T307 PolarHBondContact CD2-O 3.38Å; E305-T307 PolarHBondContact O-N 3.18Å; E305-T307 PolarHBondContact O-OG1 3.13Å; T307-A333 HydrophobicContact CG2-CB 4.15Å; T307-V334 WeakPolarHBondContact CA-O 3.49Å
308	V	98.3	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.8	173	63	0	0	0	0	110	R310 A333 V334 I336 I342 L364 D367	V308-R310 HydrophobicContact CB-CG 4.21Å; V308-R310 HydrophobicContact CG1-CG 3.8Å; V308-R310 HydrophobicContact CG2-CG 3.59Å; V308-A333 CarbonylContact O-C 3.59Å; V308-A333 WeakPolarHBondContact O-CA 3.48Å; V308-V334 PolarHBondContact N-O 3.34Å; V308-V334 PolarHBondContact O-N 3.35Å; V308-I336 HydrophobicContact CB-CD1 4.04Å; V308-I336 HydrophobicContact CG1-CD1 3.8Å; V308-I336 HydrophobicContact CG1-CG1 3.97Å; V308-I342 HydrophobicContact CG1-CD1 3.66Å; V308-L364 HydrophobicContact CB-CD2 4.06Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.32Å
309	Y	98.4	Very high	97.1	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	12%	0.124	C	C	.	.			trans	-83.6	-46.7	-172.9	177.8	-122.8	0	0	0	113.6	L302 D311 L312 N316 I327 S328 D329 L330 L332 A333 D367	L302-Y309 HydrophobicContact CD1-CD2 4.32Å; L302-Y309 HydrophobicContact CD1-CG 4.3Å; Y309-D311 VanDerWaalsContact C-N 3.27Å; Y309-D311 WeakPolarHBondContact CE1-O 3.4Å; Y309-D311 PolarHBondContact O-N 3.41Å; Y309-D311 PolarHBondContact OH-O 3.01Å; Y309-L312 HydrophobicContact CD1-CB 4.01Å; Y309-L312 HydrophobicContact CD1-CD1 3.89Å; Y309-L312 HydrophobicContact CE1-CB 4.06Å; Y309-L312 HydrophobicContact CE1-CD1 3.75Å; Y309-N316 WeakPolarHBondContact OH-CB 3.48Å; Y309-N316 PolarHBondContact OH-ND2 3.18Å; Y309-I327 HydrophobicContact CD1-CG2 4.18Å; Y309-I327 HydrophobicContact CD2-CG2 4.08Å; Y309-I327 HydrophobicContact CE1-CG2 3.72Å; Y309-I327 HydrophobicContact CE2-CG2 3.64Å; Y309-I327 HydrophobicContact CG-CG2 4.35Å; Y309-I327 VanDerWaalsContact CZ-CG2 3.47Å; Y309-S328 PolarHBondContact OH-O 3.37Å; Y309-D329 WeakPolarHBondContact CE2-O 3.37Å; Y309-L330 HydrophobicContact CD2-CG 4.32Å; Y309-L330 HydrophobicContact CE2-CD1 4.49Å; Y309-L330 HydrophobicContact CE2-CG 4.2Å; Y309-L332 CarbonylContact O-C 3.51Å; Y309-A333 HydrophobicContact CD2-CB 4.34Å; Y309-A333 WeakPolarHBondContact O-CA 3.41Å; Y309-A333 PolarHBondContact O-N 2.86Å; Y309-D367 PolarHBondContact N-OD1 3.48Å; Y309-D367 PolarHBondContact N-OD2 3.26Å
310	R	98.1	Very high	96.9	Very high	39 Å²	39	28.4 Å²	28.4	15%	0.147	13%	0.129	C	C	.	.			trans	65.7	4.3	171.3	-50.2	-171.4	-63.5	178.7	-1	118.1	V308 L332 V346 Y362 D367	V308-R310 HydrophobicContact CB-CG 4.21Å; V308-R310 HydrophobicContact CG1-CG 3.8Å; V308-R310 HydrophobicContact CG2-CG 3.59Å; R310-L332 PolarHBondContact NE-O 3.47Å; R310-L332 PolarHBondContact NH2-O 3.28Å; R310-V346 HydrophobicContact CB-CG2 4.48Å; R310-Y362 WeakPolarHBondContact CD-OH 3.43Å; R310-Y362 PolarHBondContact NH1-OH 3.38Å; R310-D367 PolarHBondContact N-OD1 3.36Å
311	D	97.6	Very high	96.7	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.053	13%	0.133	C	C	.	.			trans	-138.6	40.6	177.3	-157	37.2	0	0	0	113	Y309 K313 N316 L332 T348	Y309-D311 VanDerWaalsContact C-N 3.27Å; Y309-D311 WeakPolarHBondContact CE1-O 3.4Å; Y309-D311 PolarHBondContact O-N 3.41Å; Y309-D311 PolarHBondContact OH-O 3.01Å; D311-K313 PolarHBondContact O-N 3.16Å; D311-K313 IonicContact OD1-NZ 3.34Å; D311-K313 PolarHBondContact OD1-NZ 2.87Å; D311-K313 VanDerWaalsContact OD2-CE 3.27Å; D311-K313 WeakPolarHBondContact OD2-CE 3.35Å; D311-K313 IonicContact OD2-NZ 3.4Å; D311-K313 PolarHBondContact OD2-NZ 3.3Å; D311-N316 PolarHBondContact O-ND2 2.87Å; D311-N316 PolarHBondContact OD2-ND2 3.01Å; D311-L332 HydrophobicContact CB-CB 4.32Å; D311-L332 HydrophobicContact CB-CD1 4.02Å; D311-T348 PolarHBondContact OD1-N 2.99Å; D311-T348 PolarHBondContact OD1-OG1 3.13Å
312	L	98.2	Very high	96.5	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.031	16%	0.157	C	C	.	.			trans	-71.6	113.3	176.8	-156.6	71	0	0	0	111.2	I295 L299 Y309 I317 I327 Y351 G370 L371 L374	I295-L312 HydrophobicContact CG2-CD1 3.97Å; I295-L312 HydrophobicContact CG2-CD2 3.9Å; L299-L312 HydrophobicContact CD1-CD2 4.09Å; Y309-L312 HydrophobicContact CD1-CB 4.01Å; Y309-L312 HydrophobicContact CD1-CD1 3.89Å; Y309-L312 HydrophobicContact CE1-CB 4.06Å; Y309-L312 HydrophobicContact CE1-CD1 3.75Å; L312-I317 HydrophobicContact CD1-CD1 3.82Å; L312-I327 HydrophobicContact CD1-CD1 4.48Å; L312-Y351 WeakPolarHBondContact O-CD1 3.32Å; L312-G370 VanDerWaalsContact CD2-C 3.43Å; L312-L371 HydrophobicContact CD2-CB 4.19Å; L312-L371 VanDerWaalsContact CD2-N 3.34Å; L312-L374 HydrophobicContact CD1-CD1 4.1Å; L312-L374 HydrophobicContact CD2-CD1 3.85Å; L312-L374 HydrophobicContact CD2-CG 4.42Å; L312-L374 HydrophobicContact CG-CD1 3.57Å; L312-L374 HydrophobicContact CG-CG 4.26Å
313	K	97.5	Very high	96.5	Very high	28 Å²	28	35.3 Å²	35.3	12%	0.122	16%	0.157	C	C	.	.	S	Bend	trans	-160.3	161.8	-179	65.5	-172.7	169.1	-159	0	110.3	D311 E315 N316 T348 Y351	D311-K313 PolarHBondContact O-N 3.16Å; D311-K313 IonicContact OD1-NZ 3.34Å; D311-K313 PolarHBondContact OD1-NZ 2.87Å; D311-K313 VanDerWaalsContact OD2-CE 3.27Å; D311-K313 WeakPolarHBondContact OD2-CE 3.35Å; D311-K313 IonicContact OD2-NZ 3.4Å; D311-K313 PolarHBondContact OD2-NZ 3.3Å; K313-E315 VanDerWaalsContact C-N 3.26Å; K313-E315 HydrophobicContact CD-CB 4.48Å; K313-E315 HydrophobicContact CG-CB 4.33Å; K313-E315 WeakPolarHBondContact CG-OE2 3.49Å; K313-E315 PolarHBondContact O-N 2.97Å; K313-N316 VanDerWaalsContact CE-CG 3.42Å; K313-N316 VanDerWaalsContact CE-ND2 3.27Å; K313-N316 WeakPolarHBondContact CE-ND2 3.17Å; K313-N316 VanDerWaalsContact CE-OD1 3.24Å; K313-N316 WeakPolarHBondContact CE-OD1 3.47Å; K313-N316 HydrophobicContact CG-CB 4.28Å; K313-N316 PolarHBondContact O-N 3.45Å; K313-T348 HydrophobicContact CD-CG2 4.03Å; K313-T348 WeakPolarHBondContact CD-OG1 3.47Å; K313-T348 PolarHBondContact NZ-OG1 3.47Å; K313-Y351 HydrophobicContact CB-CD1 4.05Å; K313-Y351 HydrophobicContact CB-CD2 4.12Å; K313-Y351 HydrophobicContact CB-CE1 4.02Å; K313-Y351 HydrophobicContact CB-CE2 4.06Å; K313-Y351 HydrophobicContact CB-CG 4.11Å
314	P	97.5	Very high	96.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-61.9	-30.2	-172.8	-24.3	34	0	0	0	114.2	L271 K272 I275 N316 I317 Y351 L374 E377	L271-P314 HydrophobicContact CB-CB 4.2Å; L271-P314 VanDerWaalsContact CB-O 3.31Å; L271-P314 WeakPolarHBondContact CB-O 3.36Å; L271-P314 PolarHBondContact N-O 3.15Å; L271-P314 VanDerWaalsContact N-O 3.16Å; K272-P314 HydrophobicContact CB-CB 3.85Å; K272-P314 PolarHBondContact N-O 3.45Å; I275-P314 HydrophobicContact CD1-CB 3.99Å; I275-P314 HydrophobicContact CD1-CG 4.02Å; P314-N316 PolarHBondContact O-N 2.93Å; P314-I317 PolarHBondContact O-N 3.34Å; P314-Y351 WeakPolarHBondContact CD-OH 3.12Å; P314-L374 HydrophobicContact CB-CD2 4.32Å; P314-L374 VanDerWaalsContact CD-CD2 3.45Å; P314-L374 HydrophobicContact CG-CD2 3.56Å; P314-E377 VanDerWaalsContact CG-CD 3.49Å; P314-E377 HydrophobicContact CG-CG 4.37Å; P314-E377 VanDerWaalsContact CG-OE2 3.29Å; P314-E377 WeakPolarHBondContact CG-OE2 3.06Å
315	E	95.3	Very high	96.8	Very high	63 Å²	63	29.2 Å²	29.2	29%	0.294	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-62.9	-26.5	176.7	-66.1	91	157.7	0	0	113.9	K272 K313	K272-E315 HydrophobicContact CB-CG 4.27Å; K272-E315 HydrophobicContact CD-CG 3.57Å; K272-E315 WeakPolarHBondContact CD-OE1 3.35Å; K272-E315 IonicContact NZ-OE1 2.69Å; K272-E315 PolarHBondContact NZ-OE1 2.83Å; K313-E315 VanDerWaalsContact C-N 3.26Å; K313-E315 HydrophobicContact CD-CB 4.48Å; K313-E315 HydrophobicContact CG-CB 4.33Å; K313-E315 WeakPolarHBondContact CG-OE2 3.49Å; K313-E315 PolarHBondContact O-N 2.97Å
316	N	97.6	Very high	97.1	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-98.6	-0.8	-174	-70.1	1.2	0	0	0	113.1	Y309 D311 K313 P314 S328	Y309-N316 WeakPolarHBondContact OH-CB 3.48Å; Y309-N316 PolarHBondContact OH-ND2 3.18Å; D311-N316 PolarHBondContact O-ND2 2.87Å; D311-N316 PolarHBondContact OD2-ND2 3.01Å; K313-N316 VanDerWaalsContact CE-CG 3.42Å; K313-N316 VanDerWaalsContact CE-ND2 3.27Å; K313-N316 WeakPolarHBondContact CE-ND2 3.17Å; K313-N316 VanDerWaalsContact CE-OD1 3.24Å; K313-N316 WeakPolarHBondContact CE-OD1 3.47Å; K313-N316 HydrophobicContact CG-CB 4.28Å; K313-N316 PolarHBondContact O-N 3.45Å; P314-N316 PolarHBondContact O-N 2.93Å; N316-S328 PolarHBondContact O-N 3Å; N316-S328 PolarHBondContact O-OG 2.91Å
317	I	98.5	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.1	174.1	-55.5	-52.7	0	0	0	108	D270 L271 I295 L312 P314 I325 I327 L374	D270-I317 CarbonylContact C-O 3.13Å; D270-I317 WeakPolarHBondContact CA-O 3.41Å; L271-I317 HydrophobicContact CB-CB 3.96Å; L271-I317 HydrophobicContact CB-CG2 4.29Å; L271-I317 HydrophobicContact CD2-CB 4.14Å; L271-I317 HydrophobicContact CD2-CG2 4.15Å; L271-I317 PolarHBondContact N-O 3.45Å; I295-I317 HydrophobicContact CD1-CD1 4.45Å; I295-I317 HydrophobicContact CD1-CG1 4.22Å; I295-I317 HydrophobicContact CD1-CG2 4.34Å; I295-I317 HydrophobicContact CG1-CD1 4.15Å; I295-I317 HydrophobicContact CG1-CG1 4.42Å; I295-I317 HydrophobicContact CG1-CG2 4.36Å; L312-I317 HydrophobicContact CD1-CD1 3.82Å; P314-I317 PolarHBondContact O-N 3.34Å; I317-I325 HydrophobicContact CG2-CB 3.63Å; I317-I325 HydrophobicContact CG2-CD1 4.28Å; I317-I325 HydrophobicContact CG2-CG1 3.94Å; I317-I325 HydrophobicContact CG2-CG2 3.87Å; I317-I327 HydrophobicContact CD1-CB 4.37Å; I317-I327 HydrophobicContact CD1-CG1 3.83Å; I317-L374 HydrophobicContact CD1-CD1 4.46Å; I317-L374 HydrophobicContact CG1-CD1 3.88Å
318	L	97.9	Very high	97.2	Very high	39 Å²	39	25.5 Å²	25.5	20%	0.204	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.4	-173.7	-52	-179.7	0	0	0	110.8	M266 G269 D270 I325 R326 S328	M266-L318 HydrophobicContact CB-CB 3.43Å; M266-L318 VanDerWaalsContact CB-CB 3.43Å; M266-L318 HydrophobicContact CB-CD1 3.92Å; M266-L318 HydrophobicContact CB-CG 4.33Å; M266-L318 HydrophobicContact CE-CB 4.32Å; M266-L318 WeakPolarHBondContact CE-O 3.22Å; M266-L318 HydrophobicContact CG-CB 3.72Å; M266-L318 HydrophobicContact CG-CD1 3.98Å; G269-L318 WeakPolarHBondContact O-CA 3.28Å; D270-L318 HydrophobicContact CB-CD2 3.63Å; L318-I325 CarbonylContact O-C 3.53Å; L318-I325 WeakPolarHBondContact O-CA 3.38Å; L318-R326 PolarHBondContact N-O 3.34Å; L318-R326 PolarHBondContact O-N 3.45Å; L318-S328 WeakPolarHBondContact CD1-OG 3.37Å; L318-S328 WeakPolarHBondContact CG-OG 3.21Å
319	L	97.7	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	142.5	177.5	-74.1	75.7	0	0	0	111.4	M266 N267 G268 G269 L271 Y291 H324 I325 F465 P467	M266-L319 CarbonylContact C-O 2.99Å; M266-L319 WeakPolarHBondContact CA-O 3.18Å; M266-L319 WeakPolarHBondContact CB-O 3.36Å; N267-L319 PolarHBondContact N-O 3.49Å; G268-L319 WeakPolarHBondContact CA-O 3.46Å; G268-L319 PolarHBondContact N-O 3.04Å; G269-L319 PolarHBondContact O-N 3.33Å; L271-L319 HydrophobicContact CD1-CD1 4.17Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.14Å; L319-H324 WeakPolarHBondContact CA-O 3.47Å; L319-I325 HydrophobicContact CD1-CG2 3.99Å; L319-I325 HydrophobicContact CG-CG2 3.92Å; L319-F465 HydrophobicContact CD2-CD1 4.09Å; L319-F465 HydrophobicContact CD2-CE1 4.18Å; L319-P467 HydrophobicContact CB-CG 4.46Å; L319-P467 HydrophobicContact CD2-CG 4.3Å
320	D	95.1	Very high	96.9	Very high	23 Å²	23	28 Å²	28	12%	0.123	13%	0.129	C	C	.	.			trans	-87.5	-171.2	170	73.3	11.1	0	0	0	112.2	M266 Y322 G323 H324 P467	M266-D320 HydrophobicContact CE-CB 3.82Å; M266-D320 HydrophobicContact SD-CB 4.16Å; D320-Y322 PolarHBondContact O-N 3.38Å; D320-Y322 WeakPolarHBondContact OD1-CA 3.33Å; D320-Y322 PolarHBondContact OD1-N 2.96Å; D320-G323 PolarHBondContact OD1-N 2.98Å; D320-H324 PolarHBondContact N-O 3.37Å; D320-H324 PolarHBondContact OD1-N 3.28Å; D320-P467 WeakPolarHBondContact O-CG 3.3Å
321	D	92.1	Very high	96.6	Very high	58 Å²	58	26.7 Å²	26.7	31%	0.31	13%	0.127	S	C	.	.	S	Bend	trans	-70.3	-18.4	-179.9	-70.4	-51	0	0	0	113.7	R16 N267	R16-D321 IonicContact CZ-OD1 2.9Å; R16-D321 IonicContact NE-OD1 2.68Å; R16-D321 PolarHBondContact NE-OD1 3.48Å; R16-D321 IonicContact NH2-OD1 2.64Å; R16-D321 PolarHBondContact NH2-OD1 3.09Å; N267-D321 WeakPolarHBondContact CB-OD1 3.29Å; N267-D321 PolarHBondContact ND2-OD1 3.43Å; N267-D321 PolarHBondContact ND2-OD2 3.37Å
322	Y	94.4	Very high	96.5	Very high	168 Å²	168	28.2 Å²	28.2	66%	0.659	14%	0.135	S	C	*	.	S	Bend	trans	-100.1	-9.3	-178.2	-57.7	-75.7	0	0	0	112.3	D320 P463	D320-Y322 PolarHBondContact O-N 3.38Å; D320-Y322 WeakPolarHBondContact OD1-CA 3.33Å; D320-Y322 PolarHBondContact OD1-N 2.96Å; Y322-P463 WeakPolarHBondContact O-CG 3.34Å
323	G	96.6	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	97.3	3.1	177.7	0	0	0	0	0	114.6	Y291 D320 F465	Y291-G323 WeakPolarHBondContact CE1-O 3.35Å; D320-G323 PolarHBondContact OD1-N 2.98Å; G323-F465 WeakPolarHBondContact CA-O 3.15Å
324	H	98.2	Very high	96.4	Very high	38 Å²	38	28.4 Å²	28.4	18%	0.176	14%	0.139	C	C	.	.			trans	-74.9	146.4	172.2	-67.8	-77.2	0	0	0	110.6	E294 L319 D320 L461 P463	E294-H324 IonicContact OE1-CE1 2.69Å; E294-H324 IonicContact OE1-CG 3.39Å; E294-H324 IonicContact OE1-ND1 2.94Å; E294-H324 PolarHBondContact OE1-ND1 3.14Å; L319-H324 WeakPolarHBondContact CA-O 3.47Å; D320-H324 PolarHBondContact N-O 3.37Å; D320-H324 PolarHBondContact OD1-N 3.28Å; H324-L461 PolarHBondContact CE1-O 2.87Å; H324-L461 VanDerWaalsContact CE1-O 3.31Å; H324-P463 VanDerWaalsContact CE1-CG 3.48Å; H324-P463 WeakPolarHBondContact CE1-CG 3.25Å
325	I	98.4	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	158.2	177.7	68.3	65.1	0	0	0	113	Y291 E294 I295 I317 L318 L319	Y291-I325 HydrophobicContact CD1-CG1 4.41Å; Y291-I325 HydrophobicContact CD1-CG2 3.52Å; Y291-I325 HydrophobicContact CE1-CG2 3.78Å; Y291-I325 HydrophobicContact CG-CG2 3.96Å; E294-I325 HydrophobicContact CB-CD1 3.48Å; E294-I325 VanDerWaalsContact CB-CD1 3.48Å; E294-I325 HydrophobicContact CB-CG1 3.65Å; E294-I325 WeakPolarHBondContact OE2-CG1 2.97Å; E294-I325 PolarHBondContact OE2-N 2.71Å; I295-I325 HydrophobicContact CG1-CD1 3.76Å; I295-I325 HydrophobicContact CG1-CG1 4.17Å; I317-I325 HydrophobicContact CG2-CB 3.63Å; I317-I325 HydrophobicContact CG2-CD1 4.28Å; I317-I325 HydrophobicContact CG2-CG1 3.94Å; I317-I325 HydrophobicContact CG2-CG2 3.87Å; L318-I325 CarbonylContact O-C 3.53Å; L318-I325 WeakPolarHBondContact O-CA 3.38Å; L319-I325 HydrophobicContact CD1-CG2 3.99Å; L319-I325 HydrophobicContact CG-CG2 3.92Å
326	R	98.6	Very high	96.3	Very high	39 Å²	39	30.1 Å²	30.1	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.2	162.3	-59	-177.4	-177.2	-115.3	-6.8	111.3	S243 Q244 F245 V246 V247 N248 M266 L318	S243-R326 PolarHBondContact O-NH1 3.44Å; Q244-R326 WeakPolarHBondContact O-CG 3.34Å; Q244-R326 PolarHBondContact O-NE 3.32Å; Q244-R326 PolarHBondContact O-NH1 3.2Å; Q244-R326 PolarHBondContact O-NH2 2.78Å; F245-R326 CarbonylContact O-C 3.55Å; F245-R326 VanDerWaalsContact O-CA 3.3Å; F245-R326 WeakPolarHBondContact O-CA 3.4Å; V246-R326 PolarHBondContact O-NH1 3.24Å; V247-R326 HydrophobicContact CG1-CB 4.01Å; N248-R326 PolarHBondContact ND2-NH1 3.25Å; N248-R326 VanDerWaalsContact ND2-NH1 3.15Å; M266-R326 HydrophobicContact CE-CB 3.69Å; M266-R326 HydrophobicContact CE-CG 3.53Å; M266-R326 HydrophobicContact SD-CB 4.27Å; M266-R326 HydrophobicContact SD-CG 4.05Å; L318-R326 PolarHBondContact N-O 3.34Å; L318-R326 PolarHBondContact O-N 3.45Å
327	I	98.7	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	134.1	166.4	-57.4	173.8	0	0	0	108.7	F245 V246 V247 L299 L302 Y309 L312 I317	F245-I327 PolarHBondContact O-N 2.99Å; V246-I327 HydrophobicContact CG2-CB 4.41Å; V247-I327 PolarHBondContact N-O 2.71Å; L299-I327 HydrophobicContact CD2-CD1 3.99Å; L299-I327 HydrophobicContact CG-CD1 4.2Å; L302-I327 HydrophobicContact CD1-CD1 4.5Å; Y309-I327 HydrophobicContact CD1-CG2 4.18Å; Y309-I327 HydrophobicContact CD2-CG2 4.08Å; Y309-I327 HydrophobicContact CE1-CG2 3.72Å; Y309-I327 HydrophobicContact CE2-CG2 3.64Å; Y309-I327 HydrophobicContact CG-CG2 4.35Å; Y309-I327 VanDerWaalsContact CZ-CG2 3.47Å; L312-I327 HydrophobicContact CD1-CD1 4.48Å; I317-I327 HydrophobicContact CD1-CB 4.37Å; I317-I327 HydrophobicContact CD1-CG1 3.83Å
328	S	96.8	Very high	95.8	Very high	13 Å²	13	42.2 Å²	42.2	9%	0.091	21%	0.208	C	C	.	.			trans	-129.9	175.7	179.9	72.6	0	0	0	0	112.1	Y309 N316 L318	Y309-S328 PolarHBondContact OH-O 3.37Å; N316-S328 PolarHBondContact O-N 3Å; N316-S328 PolarHBondContact O-OG 2.91Å; L318-S328 WeakPolarHBondContact CD1-OG 3.37Å; L318-S328 WeakPolarHBondContact CG-OG 3.21Å
329	D	93.9	Very high	95.4	Very high	54 Å²	54	44.5 Å²	44.5	29%	0.289	24%	0.241	S	C	.	.			trans	52.1	78.1	179.2	-158.7	11.5	0	0	0	114.8	K215 Y309 G331	K215-D329 IonicContact NZ-OD1 3.51Å; K215-D329 PolarHBondContact NZ-OD1 2.57Å; Y309-D329 WeakPolarHBondContact CE2-O 3.37Å; D329-G331 PolarHBondContact O-N 3.4Å
330	L	95.7	Very high	95.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-88	20.1	-178.4	-73.6	73.9	0	0	0	112.4	E234 I237 L238 V246 L302 Y309 L332 A333	E234-L330 HydrophobicContact CG-CB 4.25Å; E234-L330 PolarHBondContact OE1-N 3.12Å; I237-L330 HydrophobicContact CB-CD2 4.46Å; I237-L330 HydrophobicContact CG2-CD2 3.52Å; L238-L330 HydrophobicContact CD2-CD1 3.86Å; L238-L330 HydrophobicContact CD2-CD2 4.16Å; L238-L330 HydrophobicContact CD2-CG 4.48Å; L238-L330 HydrophobicContact CG-CD1 4.48Å; L238-L330 HydrophobicContact CG-CD2 4.4Å; V246-L330 HydrophobicContact CG1-CD1 4.03Å; V246-L330 HydrophobicContact CG1-CD2 4.2Å; L302-L330 HydrophobicContact CD2-CD2 4.02Å; Y309-L330 HydrophobicContact CD2-CG 4.32Å; Y309-L330 HydrophobicContact CE2-CD1 4.49Å; Y309-L330 HydrophobicContact CE2-CG 4.2Å; L330-L332 PolarHBondContact O-N 3.32Å; L330-A333 HydrophobicContact CB-CB 4.02Å; L330-A333 HydrophobicContact CG-CB 4.42Å; L330-A333 WeakPolarHBondContact O-CB 3.38Å; L330-A333 PolarHBondContact O-N 3.42Å
331	G	91.9	Very high	95.4	Very high	11 Å²	11	51 Å²	51	11%	0.113	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59.6	-28.5	-177.3	0	0	0	0	0	114.3	M230 D329	M230-G331 VanDerWaalsContact CG-O 3.28Å; M230-G331 WeakPolarHBondContact CG-O 3.4Å; D329-G331 PolarHBondContact O-N 3.4Å
332	L	95.2	Very high	95.7	Very high	42 Å²	42	49.4 Å²	49.4	22%	0.22	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-100.8	-3.4	176.6	-61.1	-174.1	0	0	0	113.7	M230 Y309 R310 D311 L330	M230-L332 HydrophobicContact CE-CD2 4.19Å; Y309-L332 CarbonylContact O-C 3.51Å; R310-L332 PolarHBondContact NE-O 3.47Å; R310-L332 PolarHBondContact NH2-O 3.28Å; D311-L332 HydrophobicContact CB-CB 4.32Å; D311-L332 HydrophobicContact CB-CD1 4.02Å; L330-L332 PolarHBondContact O-N 3.32Å
333	A	97.3	Very high	95.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.265	C	S	.	.			trans	-67.8	147.5	178.8	0	0	0	0	0	110.7	N233 I237 T307 V308 Y309 L330	N233-A333 PolarHBondContact ND2-O 3.21Å; I237-A333 HydrophobicContact CD1-CB 3.74Å; I237-A333 WeakPolarHBondContact CD1-O 3.4Å; T307-A333 HydrophobicContact CG2-CB 4.15Å; V308-A333 CarbonylContact O-C 3.59Å; V308-A333 WeakPolarHBondContact O-CA 3.48Å; Y309-A333 HydrophobicContact CD2-CB 4.34Å; Y309-A333 WeakPolarHBondContact O-CA 3.41Å; Y309-A333 PolarHBondContact O-N 2.86Å; L330-A333 HydrophobicContact CB-CB 4.02Å; L330-A333 HydrophobicContact CG-CB 4.42Å; L330-A333 WeakPolarHBondContact O-CB 3.38Å; L330-A333 PolarHBondContact O-N 3.42Å
334	V	96.4	Very high	95.7	Very high	38 Å²	38	50.1 Å²	50.1	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.4	177.7	160.9	0	0	0	0	110	T307 V308 I336 I342	T307-V334 WeakPolarHBondContact CA-O 3.49Å; V308-V334 PolarHBondContact N-O 3.34Å; V308-V334 PolarHBondContact O-N 3.35Å; V334-I336 PolarHBondContact O-N 3.32Å; V334-I342 HydrophobicContact CB-CD1 4.21Å; V334-I342 HydrophobicContact CG1-CD1 3.98Å; V334-I342 HydrophobicContact CG1-CG2 4.37Å
335	K	95.9	Very high	95.7	Very high	97 Å²	97	53.2 Å²	53.2	42%	0.422	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.4	166.2	-174.7	160.4	-173.4	148.8	0	109.5	E305 N306	E305-K335 VanDerWaalsContact O-CE 3.23Å; E305-K335 WeakPolarHBondContact O-CE 3.45Å; E305-K335 PolarHBondContact O-NZ 3.11Å; E305-K335 IonicContact OE2-NZ 3.58Å; E305-K335 PolarHBondContact OE2-NZ 2.94Å; N306-K335 CarbonylContact O-C 3.53Å
336	I	95.9	Very high	95.5	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-80.3	133.7	174.8	-54.2	-175.5	0	0	0	107.4	N306 V308 V334 D340 I342 L364	N306-I336 PolarHBondContact ND2-O 3.26Å; N306-I336 PolarHBondContact O-N 2.73Å; V308-I336 HydrophobicContact CB-CD1 4.04Å; V308-I336 HydrophobicContact CG1-CD1 3.8Å; V308-I336 HydrophobicContact CG1-CG1 3.97Å; V334-I336 PolarHBondContact O-N 3.32Å; I336-D340 WeakPolarHBondContact CG2-O 3.43Å; I336-I342 HydrophobicContact CB-CG2 4.48Å; I336-I342 HydrophobicContact CD1-CG1 4.31Å; I336-I342 HydrophobicContact CG1-CD1 4.33Å; I336-I342 HydrophobicContact CG1-CG1 4.4Å; I336-I342 HydrophobicContact CG1-CG2 4.08Å; I336-I342 HydrophobicContact CG2-CG2 4.23Å; I336-L364 HydrophobicContact CD1-CD2 4.13Å
337	P	94.6	Very high	95.4	Very high	75 Å²	75	54.7 Å²	54.7	49%	0.487	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62.5	146.1	169.1	-20.5	32.8	0	0	0	111	N306 G339 D340	N306-P337 PolarHBondContact ND2-O 2.89Å; P337-G339 PolarHBondContact O-N 2.6Å; P337-D340 HydrophobicContact CB-CB 4Å; P337-D340 HydrophobicContact CG-CB 4.43Å; P337-D340 WeakPolarHBondContact O-CB 3.39Å; P337-D340 PolarHBondContact O-N 2.72Å; P337-D340 VanDerWaalsContact O-N 3.11Å
338	E	91	Very high	95.2	Very high	189 Å²	189	56.7 Å²	56.7	88%	0.883	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	134.8	-178.4	-170.6	171.4	-175	0	0	111.4	D340	E338-D340 PolarHBondContact O-N 2.72Å
339	G	90	Very high	95.1	Very high	87 Å²	87	58 Å²	58	90%	0.897	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	1.9	-176.6	0	0	0	0	0	115.3	P337	P337-G339 PolarHBondContact O-N 2.6Å
340	D	95.6	Very high	95.2	Very high	81 Å²	81	55.6 Å²	55.6	43%	0.433	31%	0.308	S	S	.	.			trans	-109.9	164.8	-174.4	-116.3	-28.4	0	0	0	113.4	I336 P337 E338 R361	I336-D340 WeakPolarHBondContact CG2-O 3.43Å; P337-D340 HydrophobicContact CB-CB 4Å; P337-D340 HydrophobicContact CG-CB 4.43Å; P337-D340 WeakPolarHBondContact O-CB 3.39Å; P337-D340 PolarHBondContact O-N 2.72Å; P337-D340 VanDerWaalsContact O-N 3.11Å; E338-D340 PolarHBondContact O-N 2.72Å; D340-R361 IonicContact OD1-NH2 2.83Å; D340-R361 PolarHBondContact OD1-NH2 3.25Å
341	L	96.8	Very high	95.3	Very high	78 Å²	78	56.9 Å²	56.9	41%	0.408	31%	0.314	S	S	.	.			trans	-123.4	146.4	171.4	-58.4	175.6	0	0	0	110.4	R361	L341-R361 HydrophobicContact CB-CB 3.84Å; L341-R361 HydrophobicContact CD1-CB 4.03Å; L341-R361 VanDerWaalsContact N-NH2 3.19Å; L341-R361 VanDerWaalsContact O-CZ 3.31Å; L341-R361 PolarHBondContact O-NE 2.64Å; L341-R361 VanDerWaalsContact O-NE 3.13Å; L341-R361 PolarHBondContact O-NH2 3.14Å
342	I	97.1	Very high	95.6	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.128	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	163	177.3	64.1	169	0	0	0	111.6	V308 V334 I336 R361 Y362	V308-I342 HydrophobicContact CG1-CD1 3.66Å; V334-I342 HydrophobicContact CB-CD1 4.21Å; V334-I342 HydrophobicContact CG1-CD1 3.98Å; V334-I342 HydrophobicContact CG1-CG2 4.37Å; I336-I342 HydrophobicContact CB-CG2 4.48Å; I336-I342 HydrophobicContact CD1-CG1 4.31Å; I336-I342 HydrophobicContact CG1-CD1 4.33Å; I336-I342 HydrophobicContact CG1-CG1 4.4Å; I336-I342 HydrophobicContact CG1-CG2 4.08Å; I336-I342 HydrophobicContact CG2-CG2 4.23Å; I342-R361 CarbonylContact O-C 3.51Å; I342-R361 VanDerWaalsContact O-CA 3.25Å; I342-R361 WeakPolarHBondContact O-CA 3.46Å; I342-Y362 HydrophobicContact CD1-CD2 4.47Å; I342-Y362 HydrophobicContact CD1-CE2 3.68Å; I342-Y362 HydrophobicContact CG1-CD2 3.97Å; I342-Y362 HydrophobicContact CG1-CE2 3.56Å; I342-Y362 PolarHBondContact N-O 3.1Å; I342-Y362 PolarHBondContact O-N 3.1Å
343	R	96.9	Very high	95.8	Very high	165 Å²	165	54.8 Å²	54.8	62%	0.623	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	135.5	172.4	173.9	178.7	-99.2	172.1	-6.8	109	N359 R361	R343-N359 WeakPolarHBondContact CG-OD1 3.34Å; R343-N359 PolarHBondContact NE-O 3.43Å; R343-N359 PolarHBondContact NH2-O 3.15Å; R343-R361 HydrophobicContact CB-CG 4.4Å
344	G	95.4	Very high	95.8	Very high	17 Å²	17	55.1 Å²	55.1	18%	0.175	30%	0.302	C	S	.	.			trans	167.9	129.5	173.3	0	0	0	0	0	111.9	V346 Y362	G344-V346 PolarHBondContact O-N 3.04Å; G344-Y362 WeakPolarHBondContact O-CE1 3.42Å; G344-Y362 PolarHBondContact O-OH 2.8Å
345	R	97	Very high	95.9	Very high	104 Å²	104	53.6 Å²	53.6	39%	0.392	29%	0.292	S	S	.	.			trans	-86.2	80.6	176.6	-170.4	-179.7	-173.5	-133.6	-4.9	110.3	M352 D398	R345-M352 HydrophobicContact CG-SD 4.4Å; R345-D398 IonicContact CZ-OD2 3.51Å; R345-D398 VanDerWaalsContact NH2-CG 3.33Å; R345-D398 IonicContact NH2-OD1 2.8Å; R345-D398 IonicContact NH2-OD2 2.71Å; R345-D398 PolarHBondContact NH2-OD2 3.49Å
346	V	95.6	Very high	96.1	Very high	47 Å²	47	49.1 Å²	49.1	29%	0.285	27%	0.273	S	S	.	.			trans	-127	155.7	179	-60.1	0	0	0	0	110.4	R310 G344	R310-V346 HydrophobicContact CB-CG2 4.48Å; G344-V346 PolarHBondContact O-N 3.04Å
347	G	95.7	Very high	96.2	Very high	23 Å²	23	49.8 Å²	49.8	24%	0.237	28%	0.277	C	S	.	.	S	Bend	trans	125	-178.8	-178.1	0	0	0	0	0	112.1
348	T	95.5	Very high	96.3	Very high	41 Å²	41	50.2 Å²	50.2	25%	0.252	28%	0.275	S	S	.	.			trans	-90.9	136.8	-177.6	-60.1	0	0	0	0	111.4	D311 K313 G350 Y351 M352	D311-T348 PolarHBondContact OD1-N 2.99Å; D311-T348 PolarHBondContact OD1-OG1 3.13Å; K313-T348 HydrophobicContact CD-CG2 4.03Å; K313-T348 WeakPolarHBondContact CD-OG1 3.47Å; K313-T348 PolarHBondContact NZ-OG1 3.47Å; T348-G350 PolarHBondContact O-N 3.36Å; T348-Y351 HydrophobicContact CG2-CD2 3.85Å; T348-Y351 HydrophobicContact CG2-CE2 4.26Å; T348-Y351 PolarHBondContact O-N 3.49Å; T348-M352 PolarHBondContact O-N 2.98Å
349	V	94.8	Very high	96.6	Very high	42 Å²	42	44.5 Å²	44.5	26%	0.255	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.1	178.3	178.3	0	0	0	0	110	M352 R394 V397	V349-M352 HydrophobicContact CG2-CE 4.2Å; V349-R394 HydrophobicContact CG1-CG 4.06Å; V349-R394 HydrophobicContact CG2-CG 3.84Å; V349-V397 HydrophobicContact CG1-CB 3.98Å; V349-V397 HydrophobicContact CG1-CG1 3.92Å
350	G	94.8	Very high	97	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	-17.2	-174.9	0	0	0	0	0	114.8	T348	T348-G350 PolarHBondContact O-N 3.36Å
351	Y	97.7	Very high	97.1	Very high	28 Å²	28	47.3 Å²	47.3	11%	0.11	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-12.4	177.9	-58.7	-90.5	0	0	0	113	L312 K313 P314 T348 A353 W369 C373 E377	L312-Y351 WeakPolarHBondContact O-CD1 3.32Å; K313-Y351 HydrophobicContact CB-CD1 4.05Å; K313-Y351 HydrophobicContact CB-CD2 4.12Å; K313-Y351 HydrophobicContact CB-CE1 4.02Å; K313-Y351 HydrophobicContact CB-CE2 4.06Å; K313-Y351 HydrophobicContact CB-CG 4.11Å; P314-Y351 WeakPolarHBondContact CD-OH 3.12Å; T348-Y351 HydrophobicContact CG2-CD2 3.85Å; T348-Y351 HydrophobicContact CG2-CE2 4.26Å; T348-Y351 PolarHBondContact O-N 3.49Å; Y351-A353 PolarHBondContact O-N 3.48Å; Y351-W369 VanDerWaalsContact O-CD1 3.22Å; Y351-W369 PolarHBondContact O-NE1 2.72Å; Y351-C373 HydrophobicContact CD1-CB 3.82Å; Y351-C373 HydrophobicContact CE1-CB 4.25Å; Y351-E377 VanDerWaalsContact CE1-OE2 3.28Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.42Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.28Å; Y351-E377 VanDerWaalsContact OH-CD 3.22Å; Y351-E377 PolarHBondContact OH-OE1 3.35Å; Y351-E377 PolarHBondContact OH-OE2 3.31Å
352	M	98.4	Very high	97.2	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.039	21%	0.213	C	C	.	.	S	Bend	trans	-68.2	127.1	174	-72.6	-179.9	-75	0	0	110.6	R345 T348 V349 V356 L357	R345-M352 HydrophobicContact CG-SD 4.4Å; T348-M352 PolarHBondContact O-N 2.98Å; V349-M352 HydrophobicContact CG2-CE 4.2Å; M352-V356 HydrophobicContact CB-CB 4.46Å; M352-V356 HydrophobicContact CB-CG1 4.3Å; M352-V356 HydrophobicContact CG-CG1 4.26Å; M352-V356 HydrophobicContact SD-CG1 4.33Å; M352-L357 HydrophobicContact CB-CD2 3.87Å; M352-L357 HydrophobicContact CB-CG 4.09Å; M352-L357 HydrophobicContact CE-CD2 3.74Å; M352-L357 HydrophobicContact SD-CD2 4.07Å
353	A	98.6	Very high	97.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.008	22%	0.215	C	C	.	.			trans	-64.8	156.2	177.1	0	0	0	0	0	112.7	Y351 E355 V356 L357 P366 W369	Y351-A353 PolarHBondContact O-N 3.48Å; A353-E355 VanDerWaalsContact C-N 3.32Å; A353-E355 WeakPolarHBondContact CB-OE2 3.3Å; A353-E355 PolarHBondContact O-N 3.13Å; A353-V356 HydrophobicContact CB-CG2 4.26Å; A353-V356 WeakPolarHBondContact O-CA 3.46Å; A353-V356 WeakPolarHBondContact O-CB 3.35Å; A353-V356 PolarHBondContact O-N 3.19Å; A353-L357 PolarHBondContact O-N 3.03Å; A353-P366 HydrophobicContact CB-CB 4.19Å; A353-W369 HydrophobicContact CB-CB 3.67Å; A353-W369 HydrophobicContact CB-CD2 4.04Å; A353-W369 HydrophobicContact CB-CG 3.52Å
354	P	98.7	Very high	97.3	Very high	6 Å²	6	37.6 Å²	37.6	4%	0.039	20%	0.196	C	C	.	.	H	α-helix	trans	-52.3	-42.9	179.5	-32	39.5	0	0	0	114.5	V356 L357 N358 W369 V401 L402 K426	P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 2.68Å; P354-L357 PolarHBondContact O-N 2.68Å; P354-N358 WeakPolarHBondContact O-CB 3.48Å; P354-N358 VanDerWaalsContact O-CG 3.31Å; P354-N358 PolarHBondContact O-N 2.9Å; P354-N358 PolarHBondContact O-ND2 2.68Å; P354-W369 HydrophobicContact CG-CE3 4.28Å; P354-W369 HydrophobicContact CG-CH2 3.89Å; P354-W369 HydrophobicContact CG-CZ2 4.43Å; P354-W369 HydrophobicContact CG-CZ3 3.78Å; P354-V401 HydrophobicContact CG-CG1 4.09Å; P354-L402 HydrophobicContact CB-CD2 3.9Å; P354-K426 HydrophobicContact CG-CB 4.07Å; P354-K426 HydrophobicContact CG-CG 4.33Å
355	E	98.6	Very high	97.4	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-65.6	-28.9	178.4	67.2	-87.4	-153.5	0	0	112.9	A353 N359 Q360 S365 A428 R431	A353-E355 VanDerWaalsContact C-N 3.32Å; A353-E355 WeakPolarHBondContact CB-OE2 3.3Å; A353-E355 PolarHBondContact O-N 3.13Å; E355-N359 PolarHBondContact O-N 3.19Å; E355-Q360 HydrophobicContact CB-CB 4.22Å; E355-Q360 WeakPolarHBondContact O-CB 3.25Å; E355-Q360 PolarHBondContact O-N 3.03Å; E355-S365 WeakPolarHBondContact OE1-CB 3.45Å; E355-S365 PolarHBondContact OE1-OG 2.74Å; E355-A428 HydrophobicContact CG-CB 4.46Å; E355-R431 IonicContact OE1-CZ 2.83Å; E355-R431 IonicContact OE1-NH1 3.86Å; E355-R431 PolarHBondContact OE1-NH1 3.43Å; E355-R431 IonicContact OE1-NH2 3.25Å; E355-R431 IonicContact OE2-CZ 2.64Å; E355-R431 IonicContact OE2-NH1 2.63Å; E355-R431 PolarHBondContact OE2-NH1 3.16Å; E355-R431 IonicContact OE2-NH2 2.73Å; E355-R431 PolarHBondContact OE2-NH2 2.86Å
356	V	98.6	Very high	97.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-73.7	-43.9	174.4	179.9	0	0	0	0	110.2	M352 A353 P354 N359 Y362 P366	M352-V356 HydrophobicContact CB-CB 4.46Å; M352-V356 HydrophobicContact CB-CG1 4.3Å; M352-V356 HydrophobicContact CG-CG1 4.26Å; M352-V356 HydrophobicContact SD-CG1 4.33Å; A353-V356 HydrophobicContact CB-CG2 4.26Å; A353-V356 WeakPolarHBondContact O-CA 3.46Å; A353-V356 WeakPolarHBondContact O-CB 3.35Å; A353-V356 PolarHBondContact O-N 3.19Å; P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 2.68Å; V356-N359 PolarHBondContact O-N 3.44Å; V356-N359 VanDerWaalsContact O-N 3.13Å; V356-Y362 HydrophobicContact CB-CE1 4.47Å; V356-Y362 HydrophobicContact CG2-CD1 4.03Å; V356-Y362 HydrophobicContact CG2-CE1 3.88Å; V356-Y362 HydrophobicContact CG2-CG 4.47Å; V356-P366 HydrophobicContact CG2-CB 3.89Å; V356-P366 HydrophobicContact CG2-CG 3.64Å
357	L	98.2	Very high	97.6	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-41.5	177.2	-68.7	-179.4	0	0	0	112	M352 A353 P354 N359 D398 V401 L402	M352-L357 HydrophobicContact CB-CD2 3.87Å; M352-L357 HydrophobicContact CB-CG 4.09Å; M352-L357 HydrophobicContact CE-CD2 3.74Å; M352-L357 HydrophobicContact SD-CD2 4.07Å; A353-L357 PolarHBondContact O-N 3.03Å; P354-L357 PolarHBondContact O-N 2.68Å; L357-N359 PolarHBondContact O-N 2.63Å; L357-D398 HydrophobicContact CD1-CB 4.26Å; L357-D398 HydrophobicContact CD2-CB 4.44Å; L357-D398 WeakPolarHBondContact CD2-OD1 3.27Å; L357-V401 HydrophobicContact CD1-CB 3.75Å; L357-V401 HydrophobicContact CD1-CG1 3.5Å; L357-V401 VanDerWaalsContact CD1-CG1 3.5Å; L357-V401 HydrophobicContact CD1-CG2 4.42Å; L357-L402 HydrophobicContact CB-CD2 4.23Å; L357-L402 HydrophobicContact CD1-CD2 4.36Å; L357-L402 HydrophobicContact CD1-CG 4.24Å
358	N	97.9	Very high	97.8	Very high	84 Å²	84	30 Å²	30	45%	0.449	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.4	176.1	-69.5	-28.2	0	0	0	113.5	P354 Q360	P354-N358 WeakPolarHBondContact O-CB 3.48Å; P354-N358 VanDerWaalsContact O-CG 3.31Å; P354-N358 PolarHBondContact O-N 2.9Å; P354-N358 PolarHBondContact O-ND2 2.68Å; N358-Q360 HydrophobicContact CB-CG 3.89Å; N358-Q360 PolarHBondContact O-N 3.34Å
359	N	97.6	Very high	98	Very high	68 Å²	68	28.1 Å²	28.1	36%	0.364	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	36.9	-179.6	-164.6	41	0	0	0	112.8	R343 E355 V356 L357	R343-N359 WeakPolarHBondContact CG-OD1 3.34Å; R343-N359 PolarHBondContact NE-O 3.43Å; R343-N359 PolarHBondContact NH2-O 3.15Å; E355-N359 PolarHBondContact O-N 3.19Å; V356-N359 PolarHBondContact O-N 3.44Å; V356-N359 VanDerWaalsContact O-N 3.13Å; L357-N359 PolarHBondContact O-N 2.63Å
360	Q	98.2	Very high	98.1	Very high	95 Å²	95	26.2 Å²	26.2	44%	0.444	13%	0.13	S	C	.	.			trans	-78	168.5	174.8	-63.2	175.3	-4.9	0	0	110	E355 N358 Y362	E355-Q360 HydrophobicContact CB-CB 4.22Å; E355-Q360 WeakPolarHBondContact O-CB 3.25Å; E355-Q360 PolarHBondContact O-N 3.03Å; N358-Q360 HydrophobicContact CB-CG 3.89Å; N358-Q360 PolarHBondContact O-N 3.34Å; Q360-Y362 WeakPolarHBondContact O-CD1 3.48Å
361	R	98.1	Very high	98.3	Very high	132 Å²	132	26.1 Å²	26.1	50%	0.498	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.3	166.8	-71.4	-173.5	79.8	-161.3	7.7	108.3	D340 L341 I342 R343	D340-R361 IonicContact OD1-NH2 2.83Å; D340-R361 PolarHBondContact OD1-NH2 3.25Å; L341-R361 HydrophobicContact CB-CB 3.84Å; L341-R361 HydrophobicContact CD1-CB 4.03Å; L341-R361 VanDerWaalsContact N-NH2 3.19Å; L341-R361 VanDerWaalsContact O-CZ 3.31Å; L341-R361 PolarHBondContact O-NE 2.64Å; L341-R361 VanDerWaalsContact O-NE 3.13Å; L341-R361 PolarHBondContact O-NH2 3.14Å; I342-R361 CarbonylContact O-C 3.51Å; I342-R361 VanDerWaalsContact O-CA 3.25Å; I342-R361 WeakPolarHBondContact O-CA 3.46Å; R343-R361 HydrophobicContact CB-CG 4.4Å
362	Y	98.1	Very high	98.4	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.02	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.5	-178.4	57.6	-99.6	0	0	0	111.3	R310 I342 G344 V356 Q360 P366	R310-Y362 WeakPolarHBondContact CD-OH 3.43Å; R310-Y362 PolarHBondContact NH1-OH 3.38Å; I342-Y362 HydrophobicContact CD1-CD2 4.47Å; I342-Y362 HydrophobicContact CD1-CE2 3.68Å; I342-Y362 HydrophobicContact CG1-CD2 3.97Å; I342-Y362 HydrophobicContact CG1-CE2 3.56Å; I342-Y362 PolarHBondContact N-O 3.1Å; I342-Y362 PolarHBondContact O-N 3.1Å; G344-Y362 WeakPolarHBondContact O-CE1 3.42Å; G344-Y362 PolarHBondContact O-OH 2.8Å; V356-Y362 HydrophobicContact CB-CE1 4.47Å; V356-Y362 HydrophobicContact CG2-CD1 4.03Å; V356-Y362 HydrophobicContact CG2-CE1 3.88Å; V356-Y362 HydrophobicContact CG2-CG 4.47Å; Q360-Y362 WeakPolarHBondContact O-CD1 3.48Å; Y362-P366 HydrophobicContact CD2-CG 3.52Å; Y362-P366 HydrophobicContact CE2-CG 3.98Å; Y362-P366 HydrophobicContact CG-CG 3.92Å
363	G	97.4	Very high	98.4	Very high	15 Å²	15	24.4 Å²	24.4	16%	0.155	12%	0.122	C	C	.	.	S	Bend	trans	-102.4	-120.1	174.2	0	0	0	0	0	109.9
364	L	97.8	Very high	98.4	Very high	44 Å²	44	24.3 Å²	24.3	23%	0.23	12%	0.122	C	C	.	.	S	Bend	trans	-89.2	-7.9	-178.8	-54	173.9	0	0	0	113.4	H303 V308 I336 D367	H303-L364 HydrophobicContact CB-CD1 3.77Å; V308-L364 HydrophobicContact CB-CD2 4.06Å; I336-L364 HydrophobicContact CD1-CD2 4.13Å; L364-D367 PolarHBondContact O-N 3.17Å; L364-D367 VanDerWaalsContact O-N 3.16Å
365	S	98.4	Very high	98.4	Very high	14 Å²	14	24 Å²	24	10%	0.098	12%	0.12	C	C	.	.	H	α-helix	trans	-54.3	-33.2	-174.3	63.2	0	0	0	0	116.4	E355 D367 Y368 W369 R431 C434	E355-S365 WeakPolarHBondContact OE1-CB 3.45Å; E355-S365 PolarHBondContact OE1-OG 2.74Å; S365-D367 PolarHBondContact O-N 3.4Å; S365-Y368 PolarHBondContact O-N 3.46Å; S365-W369 PolarHBondContact O-N 3.09Å; S365-R431 PolarHBondContact O-NH1 3.05Å; S365-C434 WeakPolarHBondContact CB-SG 3.48Å
366	P	98.8	Very high	98.4	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.058	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-25	179.8	-24.3	36.9	0	0	0	114	A353 V356 Y362 G370	A353-P366 HydrophobicContact CB-CB 4.19Å; V356-P366 HydrophobicContact CG2-CB 3.89Å; V356-P366 HydrophobicContact CG2-CG 3.64Å; Y362-P366 HydrophobicContact CD2-CG 3.52Å; Y362-P366 HydrophobicContact CE2-CG 3.98Å; Y362-P366 HydrophobicContact CG-CG 3.92Å; P366-G370 PolarHBondContact O-N 3.39Å
367	D	98.8	Very high	98.4	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-74.4	-36.8	-178.2	-68.4	-16.8	0	0	0	111.7	L299 H303 V308 Y309 R310 L364 S365 G370 L371	L299-D367 HydrophobicContact CD1-CB 4.12Å; L299-D367 HydrophobicContact CD2-CB 3.84Å; H303-D367 IonicContact CD2-OD2 2.72Å; H303-D367 IonicContact CE1-OD2 2.77Å; H303-D367 IonicContact NE2-OD2 3.92Å; H303-D367 PolarHBondContact NE2-OD2 2.86Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.32Å; Y309-D367 PolarHBondContact N-OD1 3.48Å; Y309-D367 PolarHBondContact N-OD2 3.26Å; R310-D367 PolarHBondContact N-OD1 3.36Å; L364-D367 PolarHBondContact O-N 3.17Å; L364-D367 VanDerWaalsContact O-N 3.16Å; S365-D367 PolarHBondContact O-N 3.4Å; D367-G370 PolarHBondContact O-N 2.71Å; D367-L371 PolarHBondContact O-N 2.95Å
368	Y	98.9	Very high	98.4	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.035	12%	0.116	C	C	.	.	H	α-helix	trans	-67.5	-35.6	173.8	-64.4	-68.3	0	0	0	112.4	L296 H303 S365 L371 G372 L423 G433 A439 V442	L296-Y368 HydrophobicContact CD1-CE1 4.12Å; H303-Y368 AromaticContact CE1-CE2 3.8Å; H303-Y368 AromaticContact CE1-CZ 3.91Å; H303-Y368 AromaticContact ND1-CE2 3.95Å; H303-Y368 AromaticContact ND1-CZ 3.82Å; H303-Y368 PolarHBondContact ND1-OH 3.45Å; S365-Y368 PolarHBondContact O-N 3.46Å; Y368-L371 WeakPolarHBondContact O-CB 3.32Å; Y368-L371 PolarHBondContact O-N 2.96Å; Y368-G372 PolarHBondContact O-N 3.37Å; Y368-L423 HydrophobicContact CD1-CD2 4.47Å; Y368-G433 WeakPolarHBondContact CE2-O 3.49Å; Y368-G433 VanDerWaalsContact CZ-O 3.25Å; Y368-G433 PolarHBondContact OH-O 3.5Å; Y368-A439 PolarHBondContact OH-N 2.73Å; Y368-V442 HydrophobicContact CD1-CG2 4.04Å; Y368-V442 HydrophobicContact CE1-CG2 3.83Å
369	W	98.9	Very high	98.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.3	-47.5	169.2	172.1	-84.3	0	0	0	111.1	Y351 A353 P354 S365 L371 G372 C373 F385 V401 L424 K426	Y351-W369 VanDerWaalsContact O-CD1 3.22Å; Y351-W369 PolarHBondContact O-NE1 2.72Å; A353-W369 HydrophobicContact CB-CB 3.67Å; A353-W369 HydrophobicContact CB-CD2 4.04Å; A353-W369 HydrophobicContact CB-CG 3.52Å; P354-W369 HydrophobicContact CG-CE3 4.28Å; P354-W369 HydrophobicContact CG-CH2 3.89Å; P354-W369 HydrophobicContact CG-CZ2 4.43Å; P354-W369 HydrophobicContact CG-CZ3 3.78Å; S365-W369 PolarHBondContact O-N 3.09Å; W369-L371 PolarHBondContact O-N 2.98Å; W369-G372 PolarHBondContact O-N 3.46Å; W369-G372 VanDerWaalsContact O-N 3.09Å; W369-C373 PolarHBondContact NE1-SG 3.13Å; W369-C373 VanDerWaalsContact NE1-SG 3.41Å; W369-C373 PolarHBondContact O-N 3.45Å; W369-F385 AromaticContact CH2-CE2 3.92Å; W369-F385 HydrophobicContact CH2-CE2 3.92Å; W369-F385 AromaticContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CZ2-CD2 4.35Å; W369-F385 AromaticContact CZ2-CE2 3.38Å; W369-F385 HydrophobicContact CZ2-CE2 3.38Å; W369-F385 AromaticContact CZ2-CZ 3.71Å; W369-F385 HydrophobicContact CZ2-CZ 3.71Å; W369-V401 HydrophobicContact CH2-CG1 4.13Å; W369-V401 HydrophobicContact CZ2-CG1 3.66Å; W369-L424 HydrophobicContact CD2-CD2 3.99Å; W369-L424 HydrophobicContact CE3-CD2 4.07Å; W369-L424 HydrophobicContact CH2-CD2 4.17Å; W369-L424 HydrophobicContact CZ2-CD2 4.08Å; W369-L424 HydrophobicContact CZ3-CB 4.26Å; W369-L424 HydrophobicContact CZ3-CD2 4.18Å; W369-L424 WeakPolarHBondContact CZ3-O 3.33Å; W369-K426 HydrophobicContact CZ3-CG 4.5Å
370	G	98.7	Very high	98.5	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-57.1	-38.2	175.2	0	0	0	0	0	112.6	L312 P366 D367 C373 L374	L312-G370 VanDerWaalsContact CD2-C 3.43Å; P366-G370 PolarHBondContact O-N 3.39Å; D367-G370 PolarHBondContact O-N 2.71Å; G370-C373 WeakPolarHBondContact O-CB 3.35Å; G370-C373 PolarHBondContact O-N 3.41Å; G370-L374 PolarHBondContact O-N 2.94Å
371	L	98.9	Very high	98.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-43.8	175.5	-179.5	62.3	0	0	0	111	A292 I295 L296 L299 L312 D367 Y368 W369 C373 L374 I375 L423 V442	A292-L371 HydrophobicContact CB-CD1 4.39Å; I295-L371 HydrophobicContact CB-CD1 4.21Å; I295-L371 HydrophobicContact CG2-CD1 3.87Å; L296-L371 HydrophobicContact CB-CD2 4.31Å; L296-L371 HydrophobicContact CD1-CD2 4.1Å; L299-L371 HydrophobicContact CD1-CB 4.35Å; L312-L371 HydrophobicContact CD2-CB 4.19Å; L312-L371 VanDerWaalsContact CD2-N 3.34Å; D367-L371 PolarHBondContact O-N 2.95Å; Y368-L371 WeakPolarHBondContact O-CB 3.32Å; Y368-L371 PolarHBondContact O-N 2.96Å; W369-L371 PolarHBondContact O-N 2.98Å; L371-C373 PolarHBondContact O-N 3.24Å; L371-L374 PolarHBondContact O-N 2.94Å; L371-I375 HydrophobicContact CD1-CD1 4.25Å; L371-I375 HydrophobicContact CD1-CG1 4.34Å; L371-I375 HydrophobicContact CG-CD1 4.05Å; L371-I375 WeakPolarHBondContact O-CG1 3.06Å; L371-I375 PolarHBondContact O-N 2.95Å; L371-L423 HydrophobicContact CB-CD1 4.43Å; L371-L423 HydrophobicContact CD2-CD1 4.14Å; L371-L423 HydrophobicContact CG-CD1 4.02Å; L371-V442 HydrophobicContact CD2-CG1 4.34Å
372	G	98.8	Very high	98.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.8	-44.8	173.6	0	0	0	0	0	112.7	Y368 W369 L374 I375 Y376	Y368-G372 PolarHBondContact O-N 3.37Å; W369-G372 PolarHBondContact O-N 3.46Å; W369-G372 VanDerWaalsContact O-N 3.09Å; G372-L374 VanDerWaalsContact C-N 3.32Å; G372-L374 PolarHBondContact O-N 3.39Å; G372-I375 PolarHBondContact O-N 2.62Å; G372-Y376 WeakPolarHBondContact O-CB 3.29Å; G372-Y376 PolarHBondContact O-N 3.48Å
373	C	98.8	Very high	98.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.7	-42.3	174	-72.9	0	0	0	0	112.3	Y351 W369 G370 L371 E377 P384	Y351-C373 HydrophobicContact CD1-CB 3.82Å; Y351-C373 HydrophobicContact CE1-CB 4.25Å; W369-C373 PolarHBondContact NE1-SG 3.13Å; W369-C373 VanDerWaalsContact NE1-SG 3.41Å; W369-C373 PolarHBondContact O-N 3.45Å; G370-C373 WeakPolarHBondContact O-CB 3.35Å; G370-C373 PolarHBondContact O-N 3.41Å; L371-C373 PolarHBondContact O-N 3.24Å; C373-E377 WeakPolarHBondContact O-CB 3.4Å; C373-E377 PolarHBondContact O-N 3.21Å; C373-P384 HydrophobicContact CB-CG 4.5Å
374	L	98.6	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69.2	-45	179.8	-81.1	-169	0	0	0	113.1	I295 L312 P314 I317 G370 L371 G372 Y376 E377 M378	I295-L374 HydrophobicContact CD1-CD1 3.75Å; L312-L374 HydrophobicContact CD1-CD1 4.1Å; L312-L374 HydrophobicContact CD2-CD1 3.85Å; L312-L374 HydrophobicContact CD2-CG 4.42Å; L312-L374 HydrophobicContact CG-CD1 3.57Å; L312-L374 HydrophobicContact CG-CG 4.26Å; P314-L374 HydrophobicContact CB-CD2 4.32Å; P314-L374 VanDerWaalsContact CD-CD2 3.45Å; P314-L374 HydrophobicContact CG-CD2 3.56Å; I317-L374 HydrophobicContact CD1-CD1 4.46Å; I317-L374 HydrophobicContact CG1-CD1 3.88Å; G370-L374 PolarHBondContact O-N 2.94Å; L371-L374 PolarHBondContact O-N 2.94Å; G372-L374 VanDerWaalsContact C-N 3.32Å; G372-L374 PolarHBondContact O-N 3.39Å; L374-Y376 VanDerWaalsContact C-N 3.29Å; L374-Y376 PolarHBondContact O-N 2.95Å; L374-E377 PolarHBondContact O-N 3.17Å; L374-M378 WeakPolarHBondContact O-CB 3.29Å; L374-M378 VanDerWaalsContact O-CG 3.24Å; L374-M378 WeakPolarHBondContact O-CG 3.02Å; L374-M378 PolarHBondContact O-N 3Å
375	I	98.8	Very high	98.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.1	-46.6	177.1	-64.2	167.8	0	0	0	109.5	A292 L371 G372 E377 M378 I379 I419 C420 L423 F447	A292-I375 HydrophobicContact CB-CD1 3.96Å; A292-I375 HydrophobicContact CB-CG1 3.68Å; L371-I375 HydrophobicContact CD1-CD1 4.25Å; L371-I375 HydrophobicContact CD1-CG1 4.34Å; L371-I375 HydrophobicContact CG-CD1 4.05Å; L371-I375 WeakPolarHBondContact O-CG1 3.06Å; L371-I375 PolarHBondContact O-N 2.95Å; G372-I375 PolarHBondContact O-N 2.62Å; I375-E377 PolarHBondContact O-N 2.98Å; I375-M378 HydrophobicContact CG1-CE 4.34Å; I375-M378 PolarHBondContact O-N 3.03Å; I375-I379 HydrophobicContact CG2-CD1 3.95Å; I375-I379 WeakPolarHBondContact O-CG1 3.25Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-I379 VanDerWaalsContact O-N 3.13Å; I375-I419 HydrophobicContact CD1-CD1 4.39Å; I375-I419 HydrophobicContact CD1-CG2 4.35Å; I375-I419 HydrophobicContact CG2-CG2 4.43Å; I375-C420 WeakPolarHBondContact CG2-SG 3.41Å; I375-L423 HydrophobicContact CD1-CD1 3.75Å; I375-F447 HydrophobicContact CD1-CE1 4.5Å; I375-F447 HydrophobicContact CG2-CZ 4.24Å
376	Y	98.8	Very high	97.9	Very high	9 Å²	9	13 Å²	13	4%	0.035	6%	0.061	C	C	.	.	H	α-helix	trans	-56.5	-51.9	176.6	-177	-77.7	0	0	0	111.3	G372 L374 M378 I379 E380 Q382 P384 E406 V407 Y408 F412	G372-Y376 WeakPolarHBondContact O-CB 3.29Å; G372-Y376 PolarHBondContact O-N 3.48Å; L374-Y376 VanDerWaalsContact C-N 3.29Å; L374-Y376 PolarHBondContact O-N 2.95Å; Y376-M378 PolarHBondContact O-N 2.91Å; Y376-I379 PolarHBondContact O-N 3.32Å; Y376-E380 HydrophobicContact CD1-CB 4.02Å; Y376-E380 HydrophobicContact CE1-CB 3.67Å; Y376-E380 HydrophobicContact CE1-CG 3.79Å; Y376-E380 VanDerWaalsContact O-CB 3.25Å; Y376-E380 WeakPolarHBondContact O-CB 3.35Å; Y376-E380 PolarHBondContact O-N 3.46Å; Y376-Q382 WeakPolarHBondContact CD1-O 3.29Å; Y376-Q382 WeakPolarHBondContact CE1-O 3.14Å; Y376-P384 HydrophobicContact CD1-CB 3.71Å; Y376-P384 HydrophobicContact CD1-CG 4.08Å; Y376-P384 HydrophobicContact CD2-CB 4.13Å; Y376-P384 VanDerWaalsContact CE1-CA 3.4Å; Y376-P384 HydrophobicContact CE1-CB 3.84Å; Y376-P384 HydrophobicContact CE2-CB 4.25Å; Y376-P384 HydrophobicContact CG-CB 3.87Å; Y376-P384 HydrophobicContact CG-CG 4.25Å; Y376-E406 HydrophobicContact CD2-CG 4.42Å; Y376-E406 HydrophobicContact CE2-CB 4.2Å; Y376-E406 HydrophobicContact CE2-CG 4.31Å; Y376-V407 VanDerWaalsContact CE2-O 3.31Å; Y376-V407 WeakPolarHBondContact CE2-O 3.24Å; Y376-V407 PolarHBondContact OH-O 3.3Å; Y376-Y408 HydrophobicContact CD2-CD1 4.18Å; Y376-Y408 AromaticContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CE2-CD1 4.11Å; Y376-Y408 HydrophobicContact CE2-CE1 4.07Å; Y376-F412 HydrophobicContact CD2-CE1 4.34Å; Y376-F412 AromaticContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CE2-CE2 4.4Å; Y376-F412 HydrophobicContact CE2-CZ 4.06Å; Y376-F412 HydrophobicContact CG-CZ 4.1Å
377	E	98.3	Very high	97.3	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.019	7%	0.069	C	C	.	.	H	α-helix	trans	-69	-33.7	-174.8	-174.8	172.2	-174.8	0	0	113.1	I275 Y276 P314 Y351 C373 L374 I375 G381 Q382	I275-E377 HydrophobicContact CD1-CG 4.25Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.14Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.28Å; Y276-E377 PolarHBondContact OH-OE1 3.3Å; P314-E377 VanDerWaalsContact CG-CD 3.49Å; P314-E377 HydrophobicContact CG-CG 4.37Å; P314-E377 VanDerWaalsContact CG-OE2 3.29Å; P314-E377 WeakPolarHBondContact CG-OE2 3.06Å; Y351-E377 VanDerWaalsContact CE1-OE2 3.28Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.42Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.28Å; Y351-E377 VanDerWaalsContact OH-CD 3.22Å; Y351-E377 PolarHBondContact OH-OE1 3.35Å; Y351-E377 PolarHBondContact OH-OE2 3.31Å; C373-E377 WeakPolarHBondContact O-CB 3.4Å; C373-E377 PolarHBondContact O-N 3.21Å; L374-E377 PolarHBondContact O-N 3.17Å; I375-E377 PolarHBondContact O-N 2.98Å; E377-G381 VanDerWaalsContact O-CA 3.28Å; E377-G381 WeakPolarHBondContact O-CA 2.91Å; E377-G381 PolarHBondContact O-N 2.97Å; E377-Q382 WeakPolarHBondContact CA-O 3.45Å
378	M	98.6	Very high	96.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-42.5	172.7	-77	-169.6	-66	0	0	111.6	L271 I275 G282 F283 A288 Y291 A292 L374 I375 Y376	L271-M378 HydrophobicContact CD2-CG 4.03Å; L271-M378 HydrophobicContact CD2-SD 3.79Å; I275-M378 HydrophobicContact CD1-CG 3.95Å; I275-M378 HydrophobicContact CG1-CG 4.46Å; G282-M378 CarbonylContact C-O 3.35Å; G282-M378 WeakPolarHBondContact CA-O 3.47Å; F283-M378 HydrophobicContact CD2-CB 3.81Å; F283-M378 HydrophobicContact CD2-CG 3.86Å; F283-M378 HydrophobicContact CD2-SD 4.14Å; F283-M378 HydrophobicContact CE2-CB 4.2Å; F283-M378 HydrophobicContact CE2-CG 3.76Å; F283-M378 HydrophobicContact CE2-SD 4.04Å; F283-M378 PolarHBondContact N-O 3.42Å; A288-M378 HydrophobicContact CB-CB 3.82Å; A288-M378 HydrophobicContact CB-CE 4.26Å; A288-M378 HydrophobicContact CB-SD 4.4Å; A288-M378 WeakPolarHBondContact O-CE 3.32Å; Y291-M378 HydrophobicContact CD2-SD 4.15Å; A292-M378 HydrophobicContact CB-CE 4.21Å; L374-M378 WeakPolarHBondContact O-CB 3.29Å; L374-M378 VanDerWaalsContact O-CG 3.24Å; L374-M378 WeakPolarHBondContact O-CG 3.02Å; L374-M378 PolarHBondContact O-N 3Å; I375-M378 HydrophobicContact CG1-CE 4.34Å; I375-M378 PolarHBondContact O-N 3.03Å; Y376-M378 PolarHBondContact O-N 2.91Å
379	I	98.4	Very high	95.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-80	-53.2	-178.5	-63.8	172.1	0	0	0	110.6	E285 A288 I375 Y376 G381 K411 F412 A416	E285-I379 HydrophobicContact CG-CD1 4.36Å; A288-I379 HydrophobicContact CB-CD1 4.42Å; A288-I379 HydrophobicContact CB-CG1 3.76Å; I375-I379 HydrophobicContact CG2-CD1 3.95Å; I375-I379 WeakPolarHBondContact O-CG1 3.25Å; I375-I379 PolarHBondContact O-N 3.21Å; I375-I379 VanDerWaalsContact O-N 3.13Å; Y376-I379 PolarHBondContact O-N 3.32Å; I379-G381 PolarHBondContact O-N 2.93Å; I379-K411 HydrophobicContact CG2-CB 3.85Å; I379-K411 WeakPolarHBondContact CG2-O 3.41Å; I379-K411 VanDerWaalsContact O-CD 3.26Å; I379-K411 WeakPolarHBondContact O-CD 3.05Å; I379-K411 PolarHBondContact O-NZ 3.1Å; I379-F412 HydrophobicContact CB-CD1 4.32Å; I379-F412 HydrophobicContact CB-CE1 3.82Å; I379-F412 HydrophobicContact CB-CE2 4.35Å; I379-F412 HydrophobicContact CB-CZ 3.84Å; I379-F412 HydrophobicContact CD1-CD1 3.88Å; I379-F412 HydrophobicContact CD1-CE1 3.8Å; I379-F412 HydrophobicContact CG1-CE1 4.39Å; I379-F412 HydrophobicContact CG2-CD1 3.93Å; I379-F412 HydrophobicContact CG2-CD2 3.94Å; I379-F412 HydrophobicContact CG2-CE1 3.86Å; I379-F412 HydrophobicContact CG2-CE2 3.87Å; I379-F412 HydrophobicContact CG2-CG 3.97Å; I379-F412 HydrophobicContact CG2-CZ 3.83Å; I379-A416 HydrophobicContact CD1-CB 3.78Å
380	E	97.8	Very high	95.5	Very high	30 Å²	30	30.2 Å²	30.2	14%	0.14	14%	0.139	C	C	.	.	H	α-helix	trans	-70.8	-33.7	-173.5	-170.6	59.9	-160.1	0	0	112	Y376 Q382 S409 K411 F412	Y376-E380 HydrophobicContact CD1-CB 4.02Å; Y376-E380 HydrophobicContact CE1-CB 3.67Å; Y376-E380 HydrophobicContact CE1-CG 3.79Å; Y376-E380 VanDerWaalsContact O-CB 3.25Å; Y376-E380 WeakPolarHBondContact O-CB 3.35Å; Y376-E380 PolarHBondContact O-N 3.46Å; E380-Q382 HydrophobicContact CB-CG 4.41Å; E380-Q382 HydrophobicContact CG-CG 3.61Å; E380-S409 WeakPolarHBondContact OE2-CB 3.42Å; E380-S409 PolarHBondContact OE2-OG 3.39Å; E380-K411 PolarHBondContact O-NZ 3.34Å; E380-F412 HydrophobicContact CB-CE2 3.95Å; E380-F412 HydrophobicContact CB-CZ 4.08Å; E380-F412 WeakPolarHBondContact OE2-CE2 3.43Å
381	G	96.7	Very high	95.1	Very high	4 Å²	4	40 Å²	40	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	80.9	20.6	-173.3	0	0	0	0	0	113.8	Y276 E377 I379	Y276-G381 VanDerWaalsContact CE1-O 3.23Å; Y276-G381 WeakPolarHBondContact CE1-O 3.47Å; E377-G381 VanDerWaalsContact O-CA 3.28Å; E377-G381 WeakPolarHBondContact O-CA 2.91Å; E377-G381 PolarHBondContact O-N 2.97Å; I379-G381 PolarHBondContact O-N 2.93Å
382	Q	95.4	Very high	94.9	Very high	66 Å²	66	41.8 Å²	41.8	31%	0.308	19%	0.192	S	C	.	.	S	Bend	trans	-158.1	158.8	171.5	53.3	173	5.8	0	0	110.6	Y376 E377 E380	Y376-Q382 WeakPolarHBondContact CD1-O 3.29Å; Y376-Q382 WeakPolarHBondContact CE1-O 3.14Å; E377-Q382 WeakPolarHBondContact CA-O 3.45Å; E380-Q382 HydrophobicContact CB-CG 4.41Å; E380-Q382 HydrophobicContact CG-CG 3.61Å
383	S	96.3	Very high	94.7	Very high	11 Å²	11	49.6 Å²	49.6	8%	0.077	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-68.7	144.5	178.2	171.1	0	0	0	0	112	F385 R386	S383-F385 PolarHBondContact O-N 3.15Å; S383-R386 WeakPolarHBondContact CB-O 3.27Å; S383-R386 PolarHBondContact O-N 3.43Å
384	P	97.1	Very high	94.5	Very high	17 Å²	17	54.7 Å²	54.7	11%	0.11	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.9	-177.5	21.2	-32.1	0	0	0	114.3	C373 Y376 E406	C373-P384 HydrophobicContact CB-CG 4.5Å; Y376-P384 HydrophobicContact CD1-CB 3.71Å; Y376-P384 HydrophobicContact CD1-CG 4.08Å; Y376-P384 HydrophobicContact CD2-CB 4.13Å; Y376-P384 VanDerWaalsContact CE1-CA 3.4Å; Y376-P384 HydrophobicContact CE1-CB 3.84Å; Y376-P384 HydrophobicContact CE2-CB 4.25Å; Y376-P384 HydrophobicContact CG-CB 3.87Å; Y376-P384 HydrophobicContact CG-CG 4.25Å; P384-E406 HydrophobicContact CB-CB 4.07Å
385	F	96.7	Very high	94.4	Very high	7 Å²	7	60.8 Å²	60.8	3%	0.031	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	0.2	-175.1	-54.5	-69.6	0	0	0	113.5	W369 S383 V397 R400 V401	W369-F385 AromaticContact CH2-CE2 3.92Å; W369-F385 HydrophobicContact CH2-CE2 3.92Å; W369-F385 AromaticContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CH2-CZ 3.73Å; W369-F385 HydrophobicContact CZ2-CD2 4.35Å; W369-F385 AromaticContact CZ2-CE2 3.38Å; W369-F385 HydrophobicContact CZ2-CE2 3.38Å; W369-F385 AromaticContact CZ2-CZ 3.71Å; W369-F385 HydrophobicContact CZ2-CZ 3.71Å; S383-F385 PolarHBondContact O-N 3.15Å; F385-V397 HydrophobicContact CB-CG1 4.37Å; F385-R400 HydrophobicContact CB-CB 4.27Å; F385-R400 HydrophobicContact CD1-CB 4.23Å; F385-R400 WeakPolarHBondContact O-CD 3.36Å; F385-R400 PolarHBondContact O-NH1 2.74Å; F385-V401 HydrophobicContact CB-CG2 3.96Å; F385-V401 HydrophobicContact CD1-CG2 4.25Å; F385-V401 HydrophobicContact CD2-CG2 3.57Å; F385-V401 HydrophobicContact CE2-CG2 4.17Å; F385-V401 HydrophobicContact CG-CB 4.5Å; F385-V401 HydrophobicContact CG-CG2 3.63Å
386	R	93.3	Very high	94.3	Very high	103 Å²	103	63.5 Å²	63.5	39%	0.389	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-150.7	118.9	-177.6	-172.4	179.6	-178.9	179	2.3	112.1	S383 E390 V392 V397	S383-R386 WeakPolarHBondContact CB-O 3.27Å; S383-R386 PolarHBondContact O-N 3.43Å; R386-E390 HydrophobicContact CG-CB 4.45Å; R386-E390 PolarHBondContact NE-O 2.79Å; R386-E390 PolarHBondContact NH2-O 3.06Å; R386-V392 HydrophobicContact CG-CG2 4.06Å; R386-V397 HydrophobicContact CG-CG2 4.48Å
387	G	87.9	Confident	94.2	Very high	23 Å²	23	63.1 Å²	63.1	24%	0.237	29%	0.285	C	S	.	.			trans	-65.8	153	176.7	0	0	0	0	0	112.8	K389 E390	G387-K389 PolarHBondContact O-N 2.8Å; G387-E390 PolarHBondContact N-OE2 2.64Å; G387-E390 WeakPolarHBondContact O-CB 3.49Å; G387-E390 PolarHBondContact O-N 3.42Å
388	R	82.8	Confident	94.1	Very high	113 Å²	113	63.7 Å²	63.7	43%	0.426	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	129.8	177.1	-169.6	-179.9	-175.6	-172.9	6.7	110.5	Y276 P281 E390	Y276-R388 HydrophobicContact CE1-CG 4.35Å; Y276-R388 PolarHBondContact O-NH2 2.88Å; P281-R388 VanDerWaalsContact CG-NH1 3.32Å; R388-E390 PolarHBondContact O-N 3.05Å; R388-E390 VanDerWaalsContact O-N 3.12Å
389	K	84.2	Confident	94.1	Very high	189 Å²	189	68.3 Å²	68.3	82%	0.822	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	12.7	-176.3	-61.2	172.4	179.6	178.2	0	114.3	G387 K391	G387-K389 PolarHBondContact O-N 2.8Å; K389-K391 PolarHBondContact O-N 2.9Å
390	E	90.9	Very high	94.1	Very high	55 Å²	55	70.7 Å²	70.7	26%	0.257	31%	0.314	S	S	.	.			trans	-67.9	123.7	175.1	-168.1	-171.2	-173.4	0	0	110.2	R386 G387 R388 V392 R400	R386-E390 HydrophobicContact CG-CB 4.45Å; R386-E390 PolarHBondContact NE-O 2.79Å; R386-E390 PolarHBondContact NH2-O 3.06Å; G387-E390 PolarHBondContact N-OE2 2.64Å; G387-E390 WeakPolarHBondContact O-CB 3.49Å; G387-E390 PolarHBondContact O-N 3.42Å; R388-E390 PolarHBondContact O-N 3.05Å; R388-E390 VanDerWaalsContact O-N 3.12Å; E390-V392 HydrophobicContact CG-CB 4.49Å; E390-V392 HydrophobicContact CG-CG1 3.81Å; E390-V392 HydrophobicContact CG-CG2 4.08Å; E390-V392 PolarHBondContact O-N 2.87Å; E390-V392 WeakPolarHBondContact OE1-CG1 3.33Å; E390-R400 IonicContact OE1-CZ 2.96Å; E390-R400 IonicContact OE1-NH1 3.84Å; E390-R400 PolarHBondContact OE1-NH1 2.98Å; E390-R400 IonicContact OE1-NH2 3.85Å; E390-R400 PolarHBondContact OE1-NH2 3.05Å; E390-R400 IonicContact OE2-NH1 3.96Å; E390-R400 PolarHBondContact OE2-NH1 3.25Å
391	K	90.9	Very high	94.1	Very high	208 Å²	208	69.3 Å²	69.3	90%	0.904	31%	0.308	S	S	*	.			trans	-92.4	81.7	175.1	-67.7	-174.3	-177.9	179.2	0	109.6	K389	K389-K391 PolarHBondContact O-N 2.9Å
392	V	94.3	Very high	94.1	Very high	36 Å²	36	71.8 Å²	71.8	22%	0.218	32%	0.32	C	S	.	.			trans	-111.5	149.1	173.9	-81.3	0	0	0	0	111.2	R386 E390 E396 V397	R386-V392 HydrophobicContact CG-CG2 4.06Å; E390-V392 HydrophobicContact CG-CB 4.49Å; E390-V392 HydrophobicContact CG-CG1 3.81Å; E390-V392 HydrophobicContact CG-CG2 4.08Å; E390-V392 PolarHBondContact O-N 2.87Å; E390-V392 WeakPolarHBondContact OE1-CG1 3.33Å; V392-E396 HydrophobicContact CG1-CG 4.42Å; V392-V397 HydrophobicContact CB-CG2 4.32Å; V392-V397 HydrophobicContact CG2-CG2 3.5Å; V392-V397 VanDerWaalsContact CG2-CG2 3.5Å
393	K	94.9	Very high	94.2	Very high	165 Å²	165	74.8 Å²	74.8	72%	0.717	33%	0.334	S	S	*	.			trans	-67.4	153.1	172.5	-67.3	-173.9	178.9	178.4	0	109.9	E395 E396 V397	K393-E395 VanDerWaalsContact C-N 3.25Å; K393-E395 WeakPolarHBondContact CB-OE2 3.36Å; K393-E395 PolarHBondContact O-N 2.99Å; K393-E396 PolarHBondContact O-N 2.9Å; K393-V397 PolarHBondContact O-N 2.95Å
394	R	94	Very high	94.2	Very high	107 Å²	107	77 Å²	77	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-57.2	-42.4	179.9	174.4	177.8	178.6	170.5	3.8	111.5	V349 E396 V397 D398	V349-R394 HydrophobicContact CG1-CG 4.06Å; V349-R394 HydrophobicContact CG2-CG 3.84Å; R394-E396 PolarHBondContact O-N 3.39Å; R394-V397 PolarHBondContact O-N 3.3Å; R394-V397 VanDerWaalsContact O-N 3.15Å; R394-D398 IonicContact NE-OD2 2.64Å; R394-D398 VanDerWaalsContact O-CG 3.27Å; R394-D398 PolarHBondContact O-N 3.03Å
395	E	95.4	Very high	94.1	Very high	128 Å²	128	83.8 Å²	83.8	60%	0.598	38%	0.377	S	S	*	.	H	α-helix	trans	-64.1	-32.1	-175.9	-58.8	71.9	-152.2	0	0	111.9	K393 R399	K393-E395 VanDerWaalsContact C-N 3.25Å; K393-E395 WeakPolarHBondContact CB-OE2 3.36Å; K393-E395 PolarHBondContact O-N 2.99Å; E395-R399 WeakPolarHBondContact O-CB 3.46Å; E395-R399 PolarHBondContact O-N 3.33Å
396	E	97	Very high	94	Very high	57 Å²	57	84.6 Å²	84.6	27%	0.266	38%	0.381	S	S	.	.	H	α-helix	trans	-72.6	-39.5	175.7	174.2	54.9	-161.1	0	0	111.6	V392 K393 R394 D398 R399 R400	V392-E396 HydrophobicContact CG1-CG 4.42Å; K393-E396 PolarHBondContact O-N 2.9Å; R394-E396 PolarHBondContact O-N 3.39Å; E396-D398 VanDerWaalsContact C-N 3.35Å; E396-R399 PolarHBondContact O-N 3.43Å; E396-R399 IonicContact OE1-CZ 3.01Å; E396-R399 IonicContact OE1-NE 3.6Å; E396-R399 IonicContact OE1-NH2 3.49Å; E396-R399 PolarHBondContact OE1-NH2 3.45Å; E396-R399 IonicContact OE2-CZ 3.43Å; E396-R399 IonicContact OE2-NE 2.84Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 3.71Å; E396-R399 PolarHBondContact OE2-NH2 3.23Å; E396-R400 WeakPolarHBondContact O-CG 3.47Å; E396-R400 PolarHBondContact O-N 3.36Å; E396-R400 IonicContact OE1-CZ 3.36Å; E396-R400 IonicContact OE1-NE 2.98Å; E396-R400 PolarHBondContact OE1-NE 3.4Å; E396-R400 IonicContact OE1-NH2 2.8Å
397	V	96.9	Very high	94.2	Very high	1 Å²	1	85.1 Å²	85.1	1%	0.006	40%	0.395	C	S	.	.	H	α-helix	trans	-65	-43	174	-177.4	0	0	0	0	110.4	V349 F385 R386 V392 K393 R394 R399 R400 V401	V349-V397 HydrophobicContact CG1-CB 3.98Å; V349-V397 HydrophobicContact CG1-CG1 3.92Å; F385-V397 HydrophobicContact CB-CG1 4.37Å; R386-V397 HydrophobicContact CG-CG2 4.48Å; V392-V397 HydrophobicContact CB-CG2 4.32Å; V392-V397 HydrophobicContact CG2-CG2 3.5Å; V392-V397 VanDerWaalsContact CG2-CG2 3.5Å; K393-V397 PolarHBondContact O-N 2.95Å; R394-V397 PolarHBondContact O-N 3.3Å; R394-V397 VanDerWaalsContact O-N 3.15Å; V397-R399 VanDerWaalsContact C-N 3.32Å; V397-R399 PolarHBondContact O-N 3.44Å; V397-R400 PolarHBondContact O-N 3.17Å; V397-V401 WeakPolarHBondContact O-CG2 3.48Å; V397-V401 PolarHBondContact O-N 3Å
398	D	97.4	Very high	94.6	Very high	15 Å²	15	85.4 Å²	85.4	8%	0.08	39%	0.389	C	S	.	.	H	α-helix	trans	-59	-43.7	175.4	-66.1	-24	0	0	0	110.7	R345 L357 R394 E396 V401 L402	R345-D398 IonicContact CZ-OD2 3.51Å; R345-D398 VanDerWaalsContact NH2-CG 3.33Å; R345-D398 IonicContact NH2-OD1 2.8Å; R345-D398 IonicContact NH2-OD2 2.71Å; R345-D398 PolarHBondContact NH2-OD2 3.49Å; L357-D398 HydrophobicContact CD1-CB 4.26Å; L357-D398 HydrophobicContact CD2-CB 4.44Å; L357-D398 WeakPolarHBondContact CD2-OD1 3.27Å; R394-D398 IonicContact NE-OD2 2.64Å; R394-D398 VanDerWaalsContact O-CG 3.27Å; R394-D398 PolarHBondContact O-N 3.03Å; E396-D398 VanDerWaalsContact C-N 3.35Å; D398-V401 PolarHBondContact O-N 3.27Å; D398-L402 WeakPolarHBondContact O-CG 3.33Å; D398-L402 PolarHBondContact O-N 3Å; D398-L402 VanDerWaalsContact O-N 3.15Å
399	R	97.9	Very high	95.3	Very high	98 Å²	98	81.8 Å²	81.8	37%	0.37	38%	0.382	S	S	.	.	H	α-helix	trans	-60.9	-45	175.5	-169.9	-169.2	69.6	79.6	3	112.1	E395 E396 V397 V401 L402 E403	E395-R399 WeakPolarHBondContact O-CB 3.46Å; E395-R399 PolarHBondContact O-N 3.33Å; E396-R399 PolarHBondContact O-N 3.43Å; E396-R399 IonicContact OE1-CZ 3.01Å; E396-R399 IonicContact OE1-NE 3.6Å; E396-R399 IonicContact OE1-NH2 3.49Å; E396-R399 PolarHBondContact OE1-NH2 3.45Å; E396-R399 IonicContact OE2-CZ 3.43Å; E396-R399 IonicContact OE2-NE 2.84Å; E396-R399 PolarHBondContact OE2-NE 3.4Å; E396-R399 IonicContact OE2-NH2 3.71Å; E396-R399 PolarHBondContact OE2-NH2 3.23Å; V397-R399 VanDerWaalsContact C-N 3.32Å; V397-R399 PolarHBondContact O-N 3.44Å; R399-V401 PolarHBondContact O-N 3.44Å; R399-L402 PolarHBondContact O-N 2.91Å; R399-L402 VanDerWaalsContact O-N 3.12Å; R399-E403 WeakPolarHBondContact CD-OE2 3.41Å; R399-E403 VanDerWaalsContact CG-CD 3.49Å; R399-E403 HydrophobicContact CG-CG 4.34Å; R399-E403 WeakPolarHBondContact CG-OE2 3.44Å; R399-E403 IonicContact CZ-OE2 3.28Å; R399-E403 IonicContact NH1-OE2 3.95Å; R399-E403 PolarHBondContact NH1-OE2 2.82Å; R399-E403 WeakPolarHBondContact O-CB 3.34Å; R399-E403 PolarHBondContact O-N 3.31Å
400	R	97.9	Very high	95.9	Very high	52 Å²	52	84.9 Å²	84.9	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	-59.8	-44.3	177.3	-70.4	172.2	-171.2	-174.9	-0.7	111.9	F385 E390 E396 V397 L402 E403 T404	F385-R400 HydrophobicContact CB-CB 4.27Å; F385-R400 HydrophobicContact CD1-CB 4.23Å; F385-R400 WeakPolarHBondContact O-CD 3.36Å; F385-R400 PolarHBondContact O-NH1 2.74Å; E390-R400 IonicContact OE1-CZ 2.96Å; E390-R400 IonicContact OE1-NH1 3.84Å; E390-R400 PolarHBondContact OE1-NH1 2.98Å; E390-R400 IonicContact OE1-NH2 3.85Å; E390-R400 PolarHBondContact OE1-NH2 3.05Å; E390-R400 IonicContact OE2-NH1 3.96Å; E390-R400 PolarHBondContact OE2-NH1 3.25Å; E396-R400 WeakPolarHBondContact O-CG 3.47Å; E396-R400 PolarHBondContact O-N 3.36Å; E396-R400 IonicContact OE1-CZ 3.36Å; E396-R400 IonicContact OE1-NE 2.98Å; E396-R400 PolarHBondContact OE1-NE 3.4Å; E396-R400 IonicContact OE1-NH2 2.8Å; V397-R400 PolarHBondContact O-N 3.17Å; R400-L402 PolarHBondContact O-N 2.8Å; R400-E403 PolarHBondContact O-N 3.34Å; R400-T404 WeakPolarHBondContact O-CA 3.45Å; R400-T404 VanDerWaalsContact O-CB 3.3Å; R400-T404 WeakPolarHBondContact O-CB 3.25Å; R400-T404 PolarHBondContact O-N 3.38Å
401	V	97.8	Very high	96.2	Very high	0 Å²	0	86.8 Å²	86.8	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-57.2	-40.7	175.1	169.3	0	0	0	0	111.2	P354 L357 W369 F385 V397 D398 R399 K426	P354-V401 HydrophobicContact CG-CG1 4.09Å; L357-V401 HydrophobicContact CD1-CB 3.75Å; L357-V401 HydrophobicContact CD1-CG1 3.5Å; L357-V401 VanDerWaalsContact CD1-CG1 3.5Å; L357-V401 HydrophobicContact CD1-CG2 4.42Å; W369-V401 HydrophobicContact CH2-CG1 4.13Å; W369-V401 HydrophobicContact CZ2-CG1 3.66Å; F385-V401 HydrophobicContact CB-CG2 3.96Å; F385-V401 HydrophobicContact CD1-CG2 4.25Å; F385-V401 HydrophobicContact CD2-CG2 3.57Å; F385-V401 HydrophobicContact CE2-CG2 4.17Å; F385-V401 HydrophobicContact CG-CB 4.5Å; F385-V401 HydrophobicContact CG-CG2 3.63Å; V397-V401 WeakPolarHBondContact O-CG2 3.48Å; V397-V401 PolarHBondContact O-N 3Å; D398-V401 PolarHBondContact O-N 3.27Å; R399-V401 PolarHBondContact O-N 3.44Å; V401-K426 PolarHBondContact O-NZ 3.26Å
402	L	97.9	Very high	96.6	Very high	56 Å²	56	77.8 Å²	77.8	29%	0.293	36%	0.357	S	S	.	.	H	α-helix	trans	-78.1	-35.3	-177.4	-66.8	174.4	0	0	0	114	P354 L357 D398 R399 R400 K426	P354-L402 HydrophobicContact CB-CD2 3.9Å; L357-L402 HydrophobicContact CB-CD2 4.23Å; L357-L402 HydrophobicContact CD1-CD2 4.36Å; L357-L402 HydrophobicContact CD1-CG 4.24Å; D398-L402 WeakPolarHBondContact O-CG 3.33Å; D398-L402 PolarHBondContact O-N 3Å; D398-L402 VanDerWaalsContact O-N 3.15Å; R399-L402 PolarHBondContact O-N 2.91Å; R399-L402 VanDerWaalsContact O-N 3.12Å; R400-L402 PolarHBondContact O-N 2.8Å; L402-K426 VanDerWaalsContact O-CD 3.23Å; L402-K426 WeakPolarHBondContact O-CD 3.24Å; L402-K426 WeakPolarHBondContact O-CE 3.41Å
403	E	96.8	Very high	96.8	Very high	130 Å²	130	77.6 Å²	77.6	61%	0.607	36%	0.356	S	S	*	.	H	α-helix	trans	-121.9	-21.1	-163.7	-62.7	173.9	-177.2	0	0	114.3	R399 R400	R399-E403 WeakPolarHBondContact CD-OE2 3.41Å; R399-E403 VanDerWaalsContact CG-CD 3.49Å; R399-E403 HydrophobicContact CG-CG 4.34Å; R399-E403 WeakPolarHBondContact CG-OE2 3.44Å; R399-E403 IonicContact CZ-OE2 3.28Å; R399-E403 IonicContact NH1-OE2 3.95Å; R399-E403 PolarHBondContact NH1-OE2 2.82Å; R399-E403 WeakPolarHBondContact O-CB 3.34Å; R399-E403 PolarHBondContact O-N 3.31Å; R400-E403 PolarHBondContact O-N 3.34Å
404	T	95.7	Very high	97	Very high	58 Å²	58	77.6 Å²	77.6	36%	0.356	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-103.7	133	-173	-52.4	0	0	0	0	110.4	R400 K426	R400-T404 WeakPolarHBondContact O-CA 3.45Å; R400-T404 VanDerWaalsContact O-CB 3.3Å; R400-T404 WeakPolarHBondContact O-CB 3.25Å; R400-T404 PolarHBondContact O-N 3.38Å; T404-K426 PolarHBondContact O-NZ 3.42Å
405	E	94.6	Very high	97.2	Very high	158 Å²	158	74.8 Å²	74.8	74%	0.738	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-78.8	139.8	167.6	-66	-172.8	177.4	0	0	109.8
406	E	96	Very high	97.4	Very high	25 Å²	25	68.7 Å²	68.7	12%	0.117	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67.8	151.9	175.4	69.8	-69.6	166	0	0	111.7	Y376 P384 Y408 L424	Y376-E406 HydrophobicContact CD2-CG 4.42Å; Y376-E406 HydrophobicContact CE2-CB 4.2Å; Y376-E406 HydrophobicContact CE2-CG 4.31Å; P384-E406 HydrophobicContact CB-CB 4.07Å; E406-Y408 VanDerWaalsContact CD-OH 3.24Å; E406-Y408 HydrophobicContact CG-CD2 4.46Å; E406-Y408 HydrophobicContact CG-CE1 4.27Å; E406-Y408 HydrophobicContact CG-CE2 3.49Å; E406-Y408 VanDerWaalsContact CG-CE2 3.49Å; E406-Y408 WeakPolarHBondContact CG-OH 3.38Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.29Å; E406-Y408 PolarHBondContact OE1-OH 2.85Å; E406-L424 HydrophobicContact CG-CD1 3.87Å
407	V	96.2	Very high	97.4	Very high	113 Å²	113	68.9 Å²	68.9	69%	0.685	32%	0.323	S	S	*	.			trans	-112.5	136.1	-179.6	179.6	0	0	0	0	109.2	Y376	Y376-V407 VanDerWaalsContact CE2-O 3.31Å; Y376-V407 WeakPolarHBondContact CE2-O 3.24Å; Y376-V407 PolarHBondContact OH-O 3.3Å
408	Y	97.7	Very high	97.5	Very high	29 Å²	29	71.1 Å²	71.1	11%	0.114	34%	0.339	C	S	.	.			trans	-105.7	127.9	-177.6	-61.1	-88.4	0	0	0	110.1	Y376 E406 F412 E417 C420 K421	Y376-Y408 HydrophobicContact CD2-CD1 4.18Å; Y376-Y408 AromaticContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CD2-CE1 3.79Å; Y376-Y408 HydrophobicContact CE2-CD1 4.11Å; Y376-Y408 HydrophobicContact CE2-CE1 4.07Å; E406-Y408 VanDerWaalsContact CD-OH 3.24Å; E406-Y408 HydrophobicContact CG-CD2 4.46Å; E406-Y408 HydrophobicContact CG-CE1 4.27Å; E406-Y408 HydrophobicContact CG-CE2 3.49Å; E406-Y408 VanDerWaalsContact CG-CE2 3.49Å; E406-Y408 WeakPolarHBondContact CG-OH 3.38Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.29Å; E406-Y408 PolarHBondContact OE1-OH 2.85Å; Y408-F412 AromaticContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD1 3.71Å; Y408-F412 AromaticContact CD1-CD2 3.9Å; Y408-F412 HydrophobicContact CD1-CD2 3.9Å; Y408-F412 AromaticContact CD1-CE1 3.75Å; Y408-F412 HydrophobicContact CD1-CE1 3.75Å; Y408-F412 AromaticContact CD1-CE2 3.94Å; Y408-F412 HydrophobicContact CD1-CE2 3.94Å; Y408-F412 AromaticContact CD1-CG 3.79Å; Y408-F412 HydrophobicContact CD1-CG 3.79Å; Y408-F412 AromaticContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CE1-CD1 4.22Å; Y408-F412 HydrophobicContact CE1-CE1 4.02Å; Y408-F412 HydrophobicContact CE1-CZ 4.34Å; Y408-F412 HydrophobicContact CG-CD2 4.49Å; Y408-E417 HydrophobicContact CD1-CB 4.19Å; Y408-E417 HydrophobicContact CD1-CG 3.94Å; Y408-E417 HydrophobicContact CD2-CG 3.69Å; Y408-E417 HydrophobicContact CE1-CG 4.23Å; Y408-E417 HydrophobicContact CE2-CG 4.02Å; Y408-E417 HydrophobicContact CG-CB 4.29Å; Y408-E417 HydrophobicContact CG-CG 3.65Å; Y408-C420 HydrophobicContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact OH-CB 3.24Å; Y408-C420 WeakPolarHBondContact OH-CB 3.35Å; Y408-K421 HydrophobicContact CE2-CD 4.16Å; Y408-K421 VanDerWaalsContact CE2-CE 3.5Å; Y408-K421 HydrophobicContact CE2-CG 3.62Å; Y408-K421 WeakPolarHBondContact OH-CG 3.5Å; Y408-K421 PolarHBondContact OH-N 3.05Å
409	S	97.2	Very high	97.6	Very high	38 Å²	38	70.4 Å²	70.4	27%	0.266	34%	0.335	S	S	.	.			trans	-82.7	175.6	173.7	81.4	0	0	0	0	111	E380 K411 F412	E380-S409 WeakPolarHBondContact OE2-CB 3.42Å; E380-S409 PolarHBondContact OE2-OG 3.39Å; S409-K411 PolarHBondContact O-N 2.72Å; S409-K411 WeakPolarHBondContact OG-CB 3.22Å; S409-K411 WeakPolarHBondContact OG-CG 3.36Å; S409-K411 PolarHBondContact OG-N 2.97Å; S409-F412 PolarHBondContact O-N 2.77Å
410	R	97.2	Very high	97.6	Very high	254 Å²	254	65.8 Å²	65.8	96%	0.958	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-2.1	173.3	69.1	-179.3	-179.7	-171.6	0.5	115.3	F412	R410-F412 VanDerWaalsContact C-N 3.32Å
411	K	97.5	Very high	97.7	Very high	94 Å²	94	67.8 Å²	67.8	41%	0.409	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.2	176.1	-68.3	-175.3	172.4	-172.4	0	113	P281 I379 E380 S409	P281-K411 PolarHBondContact O-NZ 3.49Å; I379-K411 HydrophobicContact CG2-CB 3.85Å; I379-K411 WeakPolarHBondContact CG2-O 3.41Å; I379-K411 VanDerWaalsContact O-CD 3.26Å; I379-K411 WeakPolarHBondContact O-CD 3.05Å; I379-K411 PolarHBondContact O-NZ 3.1Å; E380-K411 PolarHBondContact O-NZ 3.34Å; S409-K411 PolarHBondContact O-N 2.72Å; S409-K411 WeakPolarHBondContact OG-CB 3.22Å; S409-K411 WeakPolarHBondContact OG-CG 3.36Å; S409-K411 PolarHBondContact OG-N 2.97Å
412	F	98.6	Very high	97.7	Very high	20 Å²	20	71.4 Å²	71.4	9%	0.088	35%	0.346	C	S	.	.	S	Bend	trans	-90.7	131.8	-179.3	-69.1	-98.5	0	0	0	110.7	Y376 I379 E380 Y408 S409 R410 A416 E417	Y376-F412 HydrophobicContact CD2-CE1 4.34Å; Y376-F412 AromaticContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CD2-CZ 3.75Å; Y376-F412 HydrophobicContact CE2-CE2 4.4Å; Y376-F412 HydrophobicContact CE2-CZ 4.06Å; Y376-F412 HydrophobicContact CG-CZ 4.1Å; I379-F412 HydrophobicContact CB-CD1 4.32Å; I379-F412 HydrophobicContact CB-CE1 3.82Å; I379-F412 HydrophobicContact CB-CE2 4.35Å; I379-F412 HydrophobicContact CB-CZ 3.84Å; I379-F412 HydrophobicContact CD1-CD1 3.88Å; I379-F412 HydrophobicContact CD1-CE1 3.8Å; I379-F412 HydrophobicContact CG1-CE1 4.39Å; I379-F412 HydrophobicContact CG2-CD1 3.93Å; I379-F412 HydrophobicContact CG2-CD2 3.94Å; I379-F412 HydrophobicContact CG2-CE1 3.86Å; I379-F412 HydrophobicContact CG2-CE2 3.87Å; I379-F412 HydrophobicContact CG2-CG 3.97Å; I379-F412 HydrophobicContact CG2-CZ 3.83Å; E380-F412 HydrophobicContact CB-CE2 3.95Å; E380-F412 HydrophobicContact CB-CZ 4.08Å; E380-F412 WeakPolarHBondContact OE2-CE2 3.43Å; Y408-F412 AromaticContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD1 3.71Å; Y408-F412 AromaticContact CD1-CD2 3.9Å; Y408-F412 HydrophobicContact CD1-CD2 3.9Å; Y408-F412 AromaticContact CD1-CE1 3.75Å; Y408-F412 HydrophobicContact CD1-CE1 3.75Å; Y408-F412 AromaticContact CD1-CE2 3.94Å; Y408-F412 HydrophobicContact CD1-CE2 3.94Å; Y408-F412 AromaticContact CD1-CG 3.79Å; Y408-F412 HydrophobicContact CD1-CG 3.79Å; Y408-F412 AromaticContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CD1-CZ 3.87Å; Y408-F412 HydrophobicContact CE1-CD1 4.22Å; Y408-F412 HydrophobicContact CE1-CE1 4.02Å; Y408-F412 HydrophobicContact CE1-CZ 4.34Å; Y408-F412 HydrophobicContact CG-CD2 4.49Å; S409-F412 PolarHBondContact O-N 2.77Å; R410-F412 VanDerWaalsContact C-N 3.32Å; F412-A416 HydrophobicContact CB-CB 4.43Å; F412-A416 HydrophobicContact CD1-CB 3.98Å; F412-E417 HydrophobicContact CB-CB 4.2Å
413	S	98.5	Very high	97.7	Very high	31 Å²	31	68.8 Å²	68.8	22%	0.217	33%	0.332	C	S	.	.			trans	-66.7	165.9	158.2	71.5	0	0	0	0	111.3	E285 E415 A416 E417	E285-S413 WeakPolarHBondContact OE1-CB 3.47Å; E285-S413 PolarHBondContact OE1-OG 2.84Å; E285-S413 WeakPolarHBondContact OE2-CB 3.44Å; E285-S413 PolarHBondContact OE2-N 2.67Å; E285-S413 VanDerWaalsContact OE2-N 3.14Å; E285-S413 PolarHBondContact OE2-OG 3.47Å; S413-E415 PolarHBondContact O-N 3.11Å; S413-E415 PolarHBondContact OG-N 2.78Å; S413-A416 PolarHBondContact O-N 3.08Å; S413-A416 WeakPolarHBondContact OG-CB 3.35Å; S413-A416 PolarHBondContact OG-N 3.35Å; S413-E417 WeakPolarHBondContact O-CB 3.4Å; S413-E417 PolarHBondContact O-N 2.92Å
414	E	98.4	Very high	97.8	Very high	166 Å²	166	62.8 Å²	62.8	78%	0.776	30%	0.304	S	S	*	.	H	α-helix	trans	-57.8	-40.1	173.7	-65.5	-176.5	178.3	0	0	111.1	S418	E414-S418 WeakPolarHBondContact O-CB 3.3Å; E414-S418 PolarHBondContact O-N 2.83Å
415	E	98.6	Very high	98	Very high	47 Å²	47	61.9 Å²	61.9	22%	0.22	30%	0.298	C	S	.	.	H	α-helix	trans	-72.2	-35.8	178.9	-64	87.1	166.1	0	0	113.1	S413 S418 I419 H445 P446 F447 R449	S413-E415 PolarHBondContact O-N 3.11Å; S413-E415 PolarHBondContact OG-N 2.78Å; E415-S418 PolarHBondContact O-N 3.29Å; E415-I419 PolarHBondContact O-N 2.92Å; E415-H445 PolarHBondContact O-CE1 3.46Å; E415-P446 HydrophobicContact CG-CB 3.91Å; E415-F447 HydrophobicContact CB-CB 4.44Å; E415-R449 IonicContact OE1-CZ 2.98Å; E415-R449 VanDerWaalsContact OE1-CZ 3.27Å; E415-R449 IonicContact OE1-NH1 2.72Å; E415-R449 PolarHBondContact OE1-NH1 3.3Å; E415-R449 IonicContact OE1-NH2 2.87Å; E415-R449 PolarHBondContact OE1-NH2 2.9Å; E415-R449 IonicContact OE2-NH2 3.71Å; E415-R449 PolarHBondContact OE2-NH2 2.89Å
416	A	98.7	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-42.6	176	0	0	0	0	0	112	E285 I379 F412 S413 I419 C420 F447	E285-A416 HydrophobicContact CG-CB 4.38Å; I379-A416 HydrophobicContact CD1-CB 3.78Å; F412-A416 HydrophobicContact CB-CB 4.43Å; F412-A416 HydrophobicContact CD1-CB 3.98Å; S413-A416 PolarHBondContact O-N 3.08Å; S413-A416 WeakPolarHBondContact OG-CB 3.35Å; S413-A416 PolarHBondContact OG-N 3.35Å; A416-I419 WeakPolarHBondContact O-CG2 3.37Å; A416-C420 WeakPolarHBondContact O-CB 3.28Å; A416-C420 PolarHBondContact O-N 3.34Å; A416-F447 HydrophobicContact CB-CD2 4.07Å; A416-F447 HydrophobicContact CB-CE2 3.9Å
417	E	98.7	Very high	98.3	Very high	62 Å²	62	60 Å²	60	29%	0.29	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-45	172.7	177.7	172.2	162.6	0	0	110.9	Y408 F412 S413 I419 C420 K421	Y408-E417 HydrophobicContact CD1-CB 4.19Å; Y408-E417 HydrophobicContact CD1-CG 3.94Å; Y408-E417 HydrophobicContact CD2-CG 3.69Å; Y408-E417 HydrophobicContact CE1-CG 4.23Å; Y408-E417 HydrophobicContact CE2-CG 4.02Å; Y408-E417 HydrophobicContact CG-CB 4.29Å; Y408-E417 HydrophobicContact CG-CG 3.65Å; F412-E417 HydrophobicContact CB-CB 4.2Å; S413-E417 WeakPolarHBondContact O-CB 3.4Å; S413-E417 PolarHBondContact O-N 2.92Å; E417-I419 PolarHBondContact O-N 2.87Å; E417-C420 PolarHBondContact O-N 3.18Å; E417-K421 HydrophobicContact CG-CD 4.06Å; E417-K421 HydrophobicContact CG-CG 4.46Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.03Å; E417-K421 WeakPolarHBondContact OE1-CE 3.43Å; E417-K421 IonicContact OE1-NZ 3.77Å; E417-K421 PolarHBondContact OE1-NZ 3.08Å
418	S	98.8	Very high	98.3	Very high	48 Å²	48	55.5 Å²	55.5	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-57	-51.3	178.5	179	0	0	0	0	112.2	E414 E415 C420 K421 M422 H445	E414-S418 WeakPolarHBondContact O-CB 3.3Å; E414-S418 PolarHBondContact O-N 2.83Å; E415-S418 PolarHBondContact O-N 3.29Å; S418-C420 VanDerWaalsContact C-N 3.34Å; S418-C420 PolarHBondContact O-N 2.86Å; S418-K421 PolarHBondContact O-N 3.07Å; S418-M422 VanDerWaalsContact O-CG 3.29Å; S418-M422 WeakPolarHBondContact O-CG 3.37Å; S418-M422 PolarHBondContact O-N 3.31Å; S418-H445 PolarHBondContact OG-NE2 3.4Å; S418-H445 VanDerWaalsContact OG-NE2 3.15Å
419	I	98.8	Very high	98.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-40	-178.2	-163.3	170.6	0	0	0	111.7	I375 E415 A416 E417 M422 L423 L432 V442 H445 F447 F448	I375-I419 HydrophobicContact CD1-CD1 4.39Å; I375-I419 HydrophobicContact CD1-CG2 4.35Å; I375-I419 HydrophobicContact CG2-CG2 4.43Å; E415-I419 PolarHBondContact O-N 2.92Å; A416-I419 WeakPolarHBondContact O-CG2 3.37Å; E417-I419 PolarHBondContact O-N 2.87Å; I419-M422 PolarHBondContact O-N 3.41Å; I419-L423 HydrophobicContact CD1-CD1 4.36Å; I419-L423 HydrophobicContact CG1-CD1 3.86Å; I419-L423 HydrophobicContact CG1-CG 4.29Å; I419-L423 WeakPolarHBondContact O-CB 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.17Å; I419-L432 HydrophobicContact CG1-CD2 4.05Å; I419-V442 HydrophobicContact CD1-CG1 4.43Å; I419-H445 VanDerWaalsContact CB-CE1 3.48Å; I419-H445 WeakPolarHBondContact CB-CE1 3.24Å; I419-H445 HydrophobicContact CD1-CB 4.16Å; I419-H445 PolarHBondContact N-CE1 3.04Å; I419-F447 HydrophobicContact CB-CB 4.09Å; I419-F447 HydrophobicContact CB-CG 4.37Å; I419-F447 HydrophobicContact CD1-CB 3.96Å; I419-F447 HydrophobicContact CD1-CD1 3.71Å; I419-F447 HydrophobicContact CD1-CG 4.12Å; I419-F447 HydrophobicContact CG2-CB 4Å; I419-F447 HydrophobicContact CG2-CD1 4.02Å; I419-F447 HydrophobicContact CG2-CD2 4.06Å; I419-F447 HydrophobicContact CG2-CE1 4.5Å; I419-F447 HydrophobicContact CG2-CG 3.77Å; I419-F448 HydrophobicContact CD1-CD2 4.04Å; I419-F448 HydrophobicContact CD1-CE2 3.49Å; I419-F448 VanDerWaalsContact CD1-CE2 3.49Å; I419-F448 HydrophobicContact CD1-CZ 4.27Å
420	C	98.6	Very high	98.3	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-48	177.2	-81.2	0	0	0	0	111.1	I375 Y408 A416 E417 S418 M422 L423 L424	I375-C420 WeakPolarHBondContact CG2-SG 3.41Å; Y408-C420 HydrophobicContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact CE1-CB 3.49Å; Y408-C420 VanDerWaalsContact OH-CB 3.24Å; Y408-C420 WeakPolarHBondContact OH-CB 3.35Å; A416-C420 WeakPolarHBondContact O-CB 3.28Å; A416-C420 PolarHBondContact O-N 3.34Å; E417-C420 PolarHBondContact O-N 3.18Å; S418-C420 VanDerWaalsContact C-N 3.34Å; S418-C420 PolarHBondContact O-N 2.86Å; C420-M422 VanDerWaalsContact C-N 3.33Å; C420-M422 PolarHBondContact O-N 2.9Å; C420-L423 PolarHBondContact O-N 3.07Å; C420-L424 VanDerWaalsContact O-CB 3.23Å; C420-L424 WeakPolarHBondContact O-CB 3.46Å; C420-L424 VanDerWaalsContact O-CG 3.31Å; C420-L424 WeakPolarHBondContact O-CG 3.42Å; C420-L424 PolarHBondContact O-N 2.98Å
421	K	98.6	Very high	98.4	Very high	94 Å²	94	54.1 Å²	54.1	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-44.9	176.7	-76.6	179.4	168.3	174	0	111.9	Y408 E417 S418 L423 L424 T425	Y408-K421 HydrophobicContact CE2-CD 4.16Å; Y408-K421 VanDerWaalsContact CE2-CE 3.5Å; Y408-K421 HydrophobicContact CE2-CG 3.62Å; Y408-K421 WeakPolarHBondContact OH-CG 3.5Å; Y408-K421 PolarHBondContact OH-N 3.05Å; E417-K421 HydrophobicContact CG-CD 4.06Å; E417-K421 HydrophobicContact CG-CG 4.46Å; E417-K421 WeakPolarHBondContact O-CG 3.35Å; E417-K421 PolarHBondContact O-N 3.03Å; E417-K421 WeakPolarHBondContact OE1-CE 3.43Å; E417-K421 IonicContact OE1-NZ 3.77Å; E417-K421 PolarHBondContact OE1-NZ 3.08Å; S418-K421 PolarHBondContact O-N 3.07Å; K421-L423 PolarHBondContact O-N 3.22Å; K421-L424 CarbonylContact O-C 3.47Å; K421-L424 PolarHBondContact O-N 2.79Å; K421-T425 PolarHBondContact O-N 3.28Å; K421-T425 PolarHBondContact O-OG1 3.02Å
422	M	98.7	Very high	98.4	Very high	77 Å²	77	50.1 Å²	50.1	38%	0.379	25%	0.248	S	C	.	.	H	α-helix	trans	-66.3	-37.8	-179.3	-68.2	-179.7	75.7	0	0	112.6	S418 I419 C420 T425 L432	S418-M422 VanDerWaalsContact O-CG 3.29Å; S418-M422 WeakPolarHBondContact O-CG 3.37Å; S418-M422 PolarHBondContact O-N 3.31Å; I419-M422 PolarHBondContact O-N 3.41Å; C420-M422 VanDerWaalsContact C-N 3.33Å; C420-M422 PolarHBondContact O-N 2.9Å; M422-T425 WeakPolarHBondContact O-CB 3.48Å; M422-T425 PolarHBondContact O-OG1 3.42Å; M422-L432 HydrophobicContact CB-CB 3.85Å; M422-L432 HydrophobicContact CB-CD2 4.08Å; M422-L432 HydrophobicContact CE-CB 4.48Å; M422-L432 HydrophobicContact CE-CD1 4.06Å; M422-L432 HydrophobicContact CE-CD2 4.46Å; M422-L432 PolarHBondContact O-N 3.27Å; M422-L432 VanDerWaalsContact O-N 3.15Å
423	L	98.8	Very high	98.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-76.6	-32.5	175.6	-70	170.4	0	0	0	113.2	Y368 L371 I375 I419 C420 K421 T425 R431 L432	Y368-L423 HydrophobicContact CD1-CD2 4.47Å; L371-L423 HydrophobicContact CB-CD1 4.43Å; L371-L423 HydrophobicContact CD2-CD1 4.14Å; L371-L423 HydrophobicContact CG-CD1 4.02Å; I375-L423 HydrophobicContact CD1-CD1 3.75Å; I419-L423 HydrophobicContact CD1-CD1 4.36Å; I419-L423 HydrophobicContact CG1-CD1 3.86Å; I419-L423 HydrophobicContact CG1-CG 4.29Å; I419-L423 WeakPolarHBondContact O-CB 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.17Å; C420-L423 PolarHBondContact O-N 3.07Å; K421-L423 PolarHBondContact O-N 3.22Å; L423-T425 PolarHBondContact O-N 3.25Å; L423-R431 WeakPolarHBondContact O-CD 3.3Å; L423-R431 VanDerWaalsContact O-CG 3.22Å; L423-R431 WeakPolarHBondContact O-CG 3.49Å; L423-R431 PolarHBondContact O-NE 3.18Å; L423-L432 HydrophobicContact CD2-CB 4.13Å; L423-L432 HydrophobicContact CD2-CD2 4.29Å; L423-L432 HydrophobicContact CD2-CG 4.35Å; L423-L432 WeakPolarHBondContact CD2-O 3.38Å; L423-L432 HydrophobicContact CG-CD2 4.32Å
424	L	98.8	Very high	98.3	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	14.4	176.4	-64.2	175.3	0	0	0	112.7	W369 E406 C420 K421 K426	W369-L424 HydrophobicContact CD2-CD2 3.99Å; W369-L424 HydrophobicContact CE3-CD2 4.07Å; W369-L424 HydrophobicContact CH2-CD2 4.17Å; W369-L424 HydrophobicContact CZ2-CD2 4.08Å; W369-L424 HydrophobicContact CZ3-CB 4.26Å; W369-L424 HydrophobicContact CZ3-CD2 4.18Å; W369-L424 WeakPolarHBondContact CZ3-O 3.33Å; E406-L424 HydrophobicContact CG-CD1 3.87Å; C420-L424 VanDerWaalsContact O-CB 3.23Å; C420-L424 WeakPolarHBondContact O-CB 3.46Å; C420-L424 VanDerWaalsContact O-CG 3.31Å; C420-L424 WeakPolarHBondContact O-CG 3.42Å; C420-L424 PolarHBondContact O-N 2.98Å; K421-L424 CarbonylContact O-C 3.47Å; K421-L424 PolarHBondContact O-N 2.79Å; L424-K426 PolarHBondContact O-N 2.85Å
425	T	98.7	Very high	98	Very high	40 Å²	40	46.1 Å²	46.1	25%	0.245	23%	0.231	C	C	.	.			trans	-57.1	121.7	167.4	-57.8	0	0	0	0	109.7	K421 M422 L423 D427 Q430 R431	K421-T425 PolarHBondContact O-N 3.28Å; K421-T425 PolarHBondContact O-OG1 3.02Å; M422-T425 WeakPolarHBondContact O-CB 3.48Å; M422-T425 PolarHBondContact O-OG1 3.42Å; L423-T425 PolarHBondContact O-N 3.25Å; T425-D427 PolarHBondContact O-N 3.32Å; T425-Q430 HydrophobicContact CG2-CB 3.88Å; T425-R431 PolarHBondContact O-NE 3.42Å; T425-R431 PolarHBondContact O-NH2 2.78Å
426	K	98.4	Very high	97.5	Very high	57 Å²	57	53.7 Å²	53.7	25%	0.248	27%	0.266	C	S	.	.	S	Bend	trans	-67.9	-36.7	-174.4	-58.6	-171.6	-171.2	-58.3	0	112.8	P354 W369 V401 L402 T404 L424 A428 R431	P354-K426 HydrophobicContact CG-CB 4.07Å; P354-K426 HydrophobicContact CG-CG 4.33Å; W369-K426 HydrophobicContact CZ3-CG 4.5Å; V401-K426 PolarHBondContact O-NZ 3.26Å; L402-K426 VanDerWaalsContact O-CD 3.23Å; L402-K426 WeakPolarHBondContact O-CD 3.24Å; L402-K426 WeakPolarHBondContact O-CE 3.41Å; T404-K426 PolarHBondContact O-NZ 3.42Å; L424-K426 PolarHBondContact O-N 2.85Å; K426-A428 PolarHBondContact O-N 3.36Å; K426-R431 PolarHBondContact O-NH2 3.1Å
427	D	98.1	Very high	97.1	Very high	85 Å²	85	58.7 Å²	58.7	46%	0.455	29%	0.29	S	S	.	.	S	Bend	trans	-76.7	111.5	171	-176.7	2.3	0	0	0	110.3	T425 K429 Q430 R431	T425-D427 PolarHBondContact O-N 3.32Å; D427-K429 PolarHBondContact O-N 2.92Å; D427-K429 VanDerWaalsContact O-N 3.12Å; D427-K429 WeakPolarHBondContact OD1-CB 3.5Å; D427-K429 PolarHBondContact OD1-N 3.2Å; D427-Q430 PolarHBondContact O-N 2.9Å; D427-R431 PolarHBondContact O-N 3.3Å
428	A	98	Very high	96.9	Very high	20 Å²	20	56.6 Å²	56.6	17%	0.165	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.6	178	0	0	0	0	0	113.2	E355 K426 Q430 R431 C434	E355-A428 HydrophobicContact CG-CB 4.46Å; K426-A428 PolarHBondContact O-N 3.36Å; A428-Q430 VanDerWaalsContact C-N 3.26Å; A428-Q430 PolarHBondContact O-N 2.81Å; A428-R431 PolarHBondContact O-N 3.09Å; A428-C434 WeakPolarHBondContact O-CB 3.3Å
429	K	96.6	Very high	96.8	Very high	157 Å²	157	54.6 Å²	54.6	68%	0.683	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.1	179.2	-64.2	-178.6	179.1	-179.2	0	114.1	D427 Q435	D427-K429 PolarHBondContact O-N 2.92Å; D427-K429 VanDerWaalsContact O-N 3.12Å; D427-K429 WeakPolarHBondContact OD1-CB 3.5Å; D427-K429 PolarHBondContact OD1-N 3.2Å; K429-Q435 PolarHBondContact O-NE2 3.2Å
430	Q	97.7	Very high	96.7	Very high	134 Å²	134	56.5 Å²	56.5	63%	0.626	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-1.9	178.1	-61.8	-59.4	-47.1	0	0	111.6	T425 D427 A428	T425-Q430 HydrophobicContact CG2-CB 3.88Å; D427-Q430 PolarHBondContact O-N 2.9Å; A428-Q430 VanDerWaalsContact C-N 3.26Å; A428-Q430 PolarHBondContact O-N 2.81Å
431	R	98.5	Very high	96.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-73.1	136.5	-178.2	-171.3	-178	-60.5	144.8	8.3	110.6	E355 S365 L423 T425 K426 D427 A428 G433 C434	E355-R431 IonicContact OE1-CZ 2.83Å; E355-R431 IonicContact OE1-NH1 3.86Å; E355-R431 PolarHBondContact OE1-NH1 3.43Å; E355-R431 IonicContact OE1-NH2 3.25Å; E355-R431 IonicContact OE2-CZ 2.64Å; E355-R431 IonicContact OE2-NH1 2.63Å; E355-R431 PolarHBondContact OE2-NH1 3.16Å; E355-R431 IonicContact OE2-NH2 2.73Å; E355-R431 PolarHBondContact OE2-NH2 2.86Å; S365-R431 PolarHBondContact O-NH1 3.05Å; L423-R431 WeakPolarHBondContact O-CD 3.3Å; L423-R431 VanDerWaalsContact O-CG 3.22Å; L423-R431 WeakPolarHBondContact O-CG 3.49Å; L423-R431 PolarHBondContact O-NE 3.18Å; T425-R431 PolarHBondContact O-NE 3.42Å; T425-R431 PolarHBondContact O-NH2 2.78Å; K426-R431 PolarHBondContact O-NH2 3.1Å; D427-R431 PolarHBondContact O-N 3.3Å; A428-R431 PolarHBondContact O-N 3.09Å; R431-G433 PolarHBondContact O-N 2.73Å; R431-C434 HydrophobicContact CB-CB 4.4Å; R431-C434 VanDerWaalsContact O-CB 3.29Å; R431-C434 WeakPolarHBondContact O-CB 3.37Å; R431-C434 PolarHBondContact O-N 3.32Å; R431-C434 VanDerWaalsContact O-N 3.09Å
432	L	98.6	Very high	96.6	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.058	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	135.4	172.9	-178	68.2	0	0	0	110.4	I419 M422 L423 E441 V442 H445	I419-L432 HydrophobicContact CG1-CD2 4.05Å; M422-L432 HydrophobicContact CB-CB 3.85Å; M422-L432 HydrophobicContact CB-CD2 4.08Å; M422-L432 HydrophobicContact CE-CB 4.48Å; M422-L432 HydrophobicContact CE-CD1 4.06Å; M422-L432 HydrophobicContact CE-CD2 4.46Å; M422-L432 PolarHBondContact O-N 3.27Å; M422-L432 VanDerWaalsContact O-N 3.15Å; L423-L432 HydrophobicContact CD2-CB 4.13Å; L423-L432 HydrophobicContact CD2-CD2 4.29Å; L423-L432 HydrophobicContact CD2-CG 4.35Å; L423-L432 WeakPolarHBondContact CD2-O 3.38Å; L423-L432 HydrophobicContact CG-CD2 4.32Å; L432-E441 HydrophobicContact CD1-CB 4.08Å; L432-E441 HydrophobicContact CD1-CG 3.97Å; L432-V442 HydrophobicContact CD2-CG1 4.36Å; L432-V442 HydrophobicContact CG-CG2 4.14Å; L432-H445 HydrophobicContact CD2-CB 4.48Å
433	G	97.5	Very high	96.5	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.031	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-9.3	-172.6	0	0	0	0	0	114.4	Y368 R431 G438 E441	Y368-G433 WeakPolarHBondContact CE2-O 3.49Å; Y368-G433 VanDerWaalsContact CZ-O 3.25Å; Y368-G433 PolarHBondContact OH-O 3.5Å; R431-G433 PolarHBondContact O-N 2.73Å; G433-G438 WeakPolarHBondContact CA-O 3.37Å; G433-G438 WeakPolarHBondContact O-CA 3.26Å; G433-E441 WeakPolarHBondContact CA-OE1 3.35Å; G433-E441 VanDerWaalsContact N-CD 3.34Å; G433-E441 PolarHBondContact N-OE1 2.93Å
434	C	96.4	Very high	96.4	Very high	39 Å²	39	58.7 Å²	58.7	26%	0.264	29%	0.291	S	S	.	.			trans	-104.5	2.6	-174.3	-57.8	0	0	0	0	114.1	S365 A428 R431 E441	S365-C434 WeakPolarHBondContact CB-SG 3.48Å; A428-C434 WeakPolarHBondContact O-CB 3.3Å; R431-C434 HydrophobicContact CB-CB 4.4Å; R431-C434 VanDerWaalsContact O-CB 3.29Å; R431-C434 WeakPolarHBondContact O-CB 3.37Å; R431-C434 PolarHBondContact O-N 3.32Å; R431-C434 VanDerWaalsContact O-N 3.09Å; C434-E441 PolarHBondContact N-OE1 2.73Å; C434-E441 VanDerWaalsContact N-OE1 3.1Å
435	Q	91.6	Very high	96.4	Very high	90 Å²	90	59.1 Å²	59.1	42%	0.421	29%	0.293	S	S	.	.	S	Bend	trans	-84.5	-176.3	172.1	-54.4	-53.6	-45.2	0	0	111.6	K429 E437 G438 E441	K429-Q435 PolarHBondContact O-NE2 3.2Å; Q435-E437 PolarHBondContact O-N 3.42Å; Q435-E437 VanDerWaalsContact O-N 3.11Å; Q435-G438 PolarHBondContact O-N 3.29Å; Q435-G438 VanDerWaalsContact O-N 3.14Å; Q435-E441 PolarHBondContact N-OE1 2.91Å; Q435-E441 VanDerWaalsContact N-OE1 3.1Å
436	E	89.3	Confident	96.4	Very high	206 Å²	206	60.4 Å²	60.4	96%	0.963	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.9	179.6	-64.1	-174.2	171.4	0	0	113.5
437	E	90.4	Very high	96.4	Very high	105 Å²	105	58 Å²	58	49%	0.491	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-11.3	-176.6	-62.8	-158.1	-119.3	0	0	114.7	Q435 A439 A440 E441 R444	Q435-E437 PolarHBondContact O-N 3.42Å; Q435-E437 VanDerWaalsContact O-N 3.11Å; E437-A439 PolarHBondContact O-N 2.76Å; E437-A440 HydrophobicContact CB-CB 4.44Å; E437-A440 VanDerWaalsContact O-CB 3.29Å; E437-A440 WeakPolarHBondContact O-CB 3.33Å; E437-A440 PolarHBondContact O-N 3.31Å; E437-E441 HydrophobicContact CB-CB 4.24Å; E437-E441 HydrophobicContact CB-CG 4.32Å; E437-R444 IonicContact OE1-CZ 2.62Å; E437-R444 IonicContact OE1-NH2 2.68Å; E437-R444 PolarHBondContact OE1-NH2 2.94Å; E437-R444 IonicContact OE2-CZ 2.81Å; E437-R444 IonicContact OE2-NH1 3.08Å; E437-R444 PolarHBondContact OE2-NH1 3.5Å; E437-R444 IonicContact OE2-NH2 2.68Å; E437-R444 PolarHBondContact OE2-NH2 3.33Å
438	G	94.3	Very high	96.4	Very high	18 Å²	18	54.1 Å²	54.1	19%	0.186	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-128	175.2	0	0	0	0	0	113.9	G433 Q435 A440 E441	G433-G438 WeakPolarHBondContact CA-O 3.37Å; G433-G438 WeakPolarHBondContact O-CA 3.26Å; Q435-G438 PolarHBondContact O-N 3.29Å; Q435-G438 VanDerWaalsContact O-N 3.14Å; G438-A440 PolarHBondContact O-N 3.49Å; G438-A440 VanDerWaalsContact O-N 3.15Å; G438-E441 WeakPolarHBondContact O-CG 3.45Å; G438-E441 PolarHBondContact O-N 3.01Å
439	A	96.6	Very high	96.3	Very high	7 Å²	7	60.7 Å²	60.7	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-24.4	179.5	0	0	0	0	0	113.5	L296 E300 Y368 E437 E441 V442 K443	L296-A439 HydrophobicContact CD1-CB 4.08Å; E300-A439 HydrophobicContact CB-CB 3.99Å; E300-A439 HydrophobicContact CG-CB 3.86Å; Y368-A439 PolarHBondContact OH-N 2.73Å; E437-A439 PolarHBondContact O-N 2.76Å; A439-E441 PolarHBondContact O-N 2.86Å; A439-V442 WeakPolarHBondContact O-CB 3.31Å; A439-V442 PolarHBondContact O-N 3.13Å; A439-K443 WeakPolarHBondContact O-CG 3.44Å; A439-K443 PolarHBondContact O-N 2.8Å
440	A	96.1	Very high	96.1	Very high	39 Å²	39	60.4 Å²	60.4	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-35.6	-176.5	0	0	0	0	0	112.8	E437 G438 K443 R444	E437-A440 HydrophobicContact CB-CB 4.44Å; E437-A440 VanDerWaalsContact O-CB 3.29Å; E437-A440 WeakPolarHBondContact O-CB 3.33Å; E437-A440 PolarHBondContact O-N 3.31Å; G438-A440 PolarHBondContact O-N 3.49Å; G438-A440 VanDerWaalsContact O-N 3.15Å; A440-K443 PolarHBondContact O-N 2.85Å; A440-R444 WeakPolarHBondContact O-CG 3.09Å; A440-R444 PolarHBondContact O-N 3.35Å
441	E	96.6	Very high	96	Very high	34 Å²	34	55.2 Å²	55.2	16%	0.159	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-38	173.3	52.3	170.4	177.9	0	0	111.7	L432 G433 C434 Q435 E437 G438 A439 R444 H445	L432-E441 HydrophobicContact CD1-CB 4.08Å; L432-E441 HydrophobicContact CD1-CG 3.97Å; G433-E441 WeakPolarHBondContact CA-OE1 3.35Å; G433-E441 VanDerWaalsContact N-CD 3.34Å; G433-E441 PolarHBondContact N-OE1 2.93Å; C434-E441 PolarHBondContact N-OE1 2.73Å; C434-E441 VanDerWaalsContact N-OE1 3.1Å; Q435-E441 PolarHBondContact N-OE1 2.91Å; Q435-E441 VanDerWaalsContact N-OE1 3.1Å; E437-E441 HydrophobicContact CB-CB 4.24Å; E437-E441 HydrophobicContact CB-CG 4.32Å; G438-E441 WeakPolarHBondContact O-CG 3.45Å; G438-E441 PolarHBondContact O-N 3.01Å; A439-E441 PolarHBondContact O-N 2.86Å; E441-R444 PolarHBondContact O-N 2.96Å; E441-H445 PolarHBondContact O-N 3.02Å
442	V	98.4	Very high	95.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-47.5	175.9	-165.1	0	0	0	0	110.3	L296 Y368 L371 I419 L432 A439 R444 H445 F448	L296-V442 HydrophobicContact CD1-CB 4.01Å; L296-V442 HydrophobicContact CD1-CG1 4.03Å; L296-V442 HydrophobicContact CD1-CG2 4.21Å; L296-V442 HydrophobicContact CD2-CB 3.81Å; L296-V442 HydrophobicContact CD2-CG1 3.67Å; L296-V442 HydrophobicContact CG-CG1 4.49Å; Y368-V442 HydrophobicContact CD1-CG2 4.04Å; Y368-V442 HydrophobicContact CE1-CG2 3.83Å; L371-V442 HydrophobicContact CD2-CG1 4.34Å; I419-V442 HydrophobicContact CD1-CG1 4.43Å; L432-V442 HydrophobicContact CD2-CG1 4.36Å; L432-V442 HydrophobicContact CG-CG2 4.14Å; A439-V442 WeakPolarHBondContact O-CB 3.31Å; A439-V442 PolarHBondContact O-N 3.13Å; V442-R444 PolarHBondContact O-N 3.44Å; V442-H445 VanDerWaalsContact O-CB 3.3Å; V442-H445 WeakPolarHBondContact O-CB 3.05Å; V442-H445 PolarHBondContact O-N 3.39Å; V442-H445 VanDerWaalsContact O-N 3.09Å; V442-F448 HydrophobicContact CG1-CE2 4.17Å; V442-F448 WeakPolarHBondContact O-CD2 3.28Å
443	K	98	Very high	95.5	Very high	38 Å²	38	57.6 Å²	57.6	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-28	179.3	-71.9	-177.3	169.6	176.5	0	113.2	L296 E300 A439 A440 F453 E457	L296-K443 HydrophobicContact CD2-CG 3.68Å; E300-K443 IonicContact OE1-NZ 2.71Å; E300-K443 WeakPolarHBondContact OE2-CE 3.48Å; E300-K443 IonicContact OE2-NZ 3.39Å; E300-K443 PolarHBondContact OE2-NZ 3.37Å; A439-K443 WeakPolarHBondContact O-CG 3.44Å; A439-K443 PolarHBondContact O-N 2.8Å; A440-K443 PolarHBondContact O-N 2.85Å; K443-F453 HydrophobicContact CB-CD2 3.87Å; K443-F453 HydrophobicContact CB-CE2 3.6Å; K443-F453 HydrophobicContact CB-CG 4.46Å; K443-F453 HydrophobicContact CB-CZ 4Å; K443-F453 HydrophobicContact CD-CB 4.25Å; K443-F453 HydrophobicContact CD-CD1 3.9Å; K443-F453 HydrophobicContact CD-CD2 4.05Å; K443-F453 HydrophobicContact CD-CE1 4.24Å; K443-F453 HydrophobicContact CD-CE2 4.39Å; K443-F453 HydrophobicContact CD-CG 3.79Å; K443-F453 HydrophobicContact CD-CZ 4.48Å; K443-F453 HydrophobicContact CG-CD1 3.94Å; K443-F453 HydrophobicContact CG-CD2 3.87Å; K443-F453 HydrophobicContact CG-CE1 3.77Å; K443-F453 HydrophobicContact CG-CE2 3.7Å; K443-F453 HydrophobicContact CG-CG 3.99Å; K443-F453 HydrophobicContact CG-CZ 3.65Å; K443-F453 WeakPolarHBondContact O-CE2 3.43Å; K443-E457 IonicContact NZ-OE1 3.18Å; K443-E457 PolarHBondContact NZ-OE1 3.29Å
444	R	96.4	Very high	95.2	Very high	145 Å²	145	60.4 Å²	60.4	55%	0.547	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-6.9	178.7	-69.6	-167.7	-50.6	-98.3	4.6	114.5	E437 A440 E441 V442	E437-R444 IonicContact OE1-CZ 2.62Å; E437-R444 IonicContact OE1-NH2 2.68Å; E437-R444 PolarHBondContact OE1-NH2 2.94Å; E437-R444 IonicContact OE2-CZ 2.81Å; E437-R444 IonicContact OE2-NH1 3.08Å; E437-R444 PolarHBondContact OE2-NH1 3.5Å; E437-R444 IonicContact OE2-NH2 2.68Å; E437-R444 PolarHBondContact OE2-NH2 3.33Å; A440-R444 WeakPolarHBondContact O-CG 3.09Å; A440-R444 PolarHBondContact O-N 3.35Å; E441-R444 PolarHBondContact O-N 2.96Å; V442-R444 PolarHBondContact O-N 3.44Å
445	H	98.5	Very high	95.1	Very high	13 Å²	13	62 Å²	62	6%	0.06	30%	0.296	C	S	.	.	S	Bend	trans	-59.2	139.8	177.8	-174.6	-84.6	0	0	0	110.5	E415 S418 I419 L432 E441 V442 F447 F448	E415-H445 PolarHBondContact O-CE1 3.46Å; S418-H445 PolarHBondContact OG-NE2 3.4Å; S418-H445 VanDerWaalsContact OG-NE2 3.15Å; I419-H445 VanDerWaalsContact CB-CE1 3.48Å; I419-H445 WeakPolarHBondContact CB-CE1 3.24Å; I419-H445 HydrophobicContact CD1-CB 4.16Å; I419-H445 PolarHBondContact N-CE1 3.04Å; L432-H445 HydrophobicContact CD2-CB 4.48Å; E441-H445 PolarHBondContact O-N 3.02Å; V442-H445 VanDerWaalsContact O-CB 3.3Å; V442-H445 WeakPolarHBondContact O-CB 3.05Å; V442-H445 PolarHBondContact O-N 3.39Å; V442-H445 VanDerWaalsContact O-N 3.09Å; H445-F447 WeakPolarHBondContact ND1-CB 3.25Å; H445-F447 PolarHBondContact ND1-N 2.94Å; H445-F447 PolarHBondContact O-N 3.32Å; H445-F448 PolarHBondContact O-N 3.22Å
446	P	98.5	Very high	95.3	Very high	67 Å²	67	57.7 Å²	57.7	44%	0.435	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-53.6	-25.6	-177.8	-31.3	37.2	0	0	0	115.9	E415 F448 R449	E415-P446 HydrophobicContact CG-CB 3.91Å; P446-F448 PolarHBondContact O-N 3.23Å; P446-R449 VanDerWaalsContact O-CB 3.29Å; P446-R449 WeakPolarHBondContact O-CB 3.48Å; P446-R449 VanDerWaalsContact O-CG 3.23Å; P446-R449 WeakPolarHBondContact O-CG 3.44Å; P446-R449 PolarHBondContact O-N 2.83Å
447	F	98.7	Very high	95.6	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.026	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-51.9	-37	169.8	-178.4	-108.9	0	0	0	112.3	E285 L289 A292 I375 E415 A416 I419 H445	E285-F447 HydrophobicContact CG-CE2 4.02Å; L289-F447 HydrophobicContact CB-CE1 3.93Å; L289-F447 HydrophobicContact CB-CE2 4.25Å; L289-F447 HydrophobicContact CB-CZ 3.62Å; L289-F447 WeakPolarHBondContact CD1-O 3.48Å; L289-F447 HydrophobicContact CG-CD1 4.36Å; L289-F447 HydrophobicContact CG-CE1 3.94Å; L289-F447 HydrophobicContact CG-CZ 4.05Å; A292-F447 HydrophobicContact CB-CE1 4.26Å; I375-F447 HydrophobicContact CD1-CE1 4.5Å; I375-F447 HydrophobicContact CG2-CZ 4.24Å; E415-F447 HydrophobicContact CB-CB 4.44Å; A416-F447 HydrophobicContact CB-CD2 4.07Å; A416-F447 HydrophobicContact CB-CE2 3.9Å; I419-F447 HydrophobicContact CB-CB 4.09Å; I419-F447 HydrophobicContact CB-CG 4.37Å; I419-F447 HydrophobicContact CD1-CB 3.96Å; I419-F447 HydrophobicContact CD1-CD1 3.71Å; I419-F447 HydrophobicContact CD1-CG 4.12Å; I419-F447 HydrophobicContact CG2-CB 4Å; I419-F447 HydrophobicContact CG2-CD1 4.02Å; I419-F447 HydrophobicContact CG2-CD2 4.06Å; I419-F447 HydrophobicContact CG2-CE1 4.5Å; I419-F447 HydrophobicContact CG2-CG 3.77Å; H445-F447 WeakPolarHBondContact ND1-CB 3.25Å; H445-F447 PolarHBondContact ND1-N 2.94Å; H445-F447 PolarHBondContact O-N 3.32Å
448	F	98.4	Very high	95.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.018	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-98.8	16.4	178.8	-63.8	-64.9	0	0	0	114	L289 A292 A293 L296 I419 V442 H445 P446 N450 M451 F453	L289-F448 HydrophobicContact CD2-CD1 4.04Å; L289-F448 HydrophobicContact CD2-CE1 4.41Å; L289-F448 HydrophobicContact CG-CD1 4.08Å; L289-F448 HydrophobicContact CG-CE1 4.29Å; A292-F448 HydrophobicContact CB-CE1 4.16Å; A292-F448 HydrophobicContact CB-CZ 3.97Å; A293-F448 HydrophobicContact CB-CD1 4.07Å; A293-F448 HydrophobicContact CB-CE1 3.72Å; L296-F448 HydrophobicContact CD2-CE2 4.29Å; I419-F448 HydrophobicContact CD1-CD2 4.04Å; I419-F448 HydrophobicContact CD1-CE2 3.49Å; I419-F448 VanDerWaalsContact CD1-CE2 3.49Å; I419-F448 HydrophobicContact CD1-CZ 4.27Å; V442-F448 HydrophobicContact CG1-CE2 4.17Å; V442-F448 WeakPolarHBondContact O-CD2 3.28Å; H445-F448 PolarHBondContact O-N 3.22Å; P446-F448 PolarHBondContact O-N 3.23Å; F448-N450 PolarHBondContact O-N 2.97Å; F448-M451 HydrophobicContact CB-CB 4.14Å; F448-M451 HydrophobicContact CD1-CB 4.37Å; F448-M451 WeakPolarHBondContact O-CB 3.5Å; F448-M451 PolarHBondContact O-N 2.97Å; F448-F453 HydrophobicContact CB-CE2 3.87Å; F448-F453 HydrophobicContact CB-CZ 4.07Å; F448-F453 AromaticContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD2-CZ 4.21Å; F448-F453 HydrophobicContact CE1-CZ 4.45Å; F448-F453 HydrophobicContact CG-CE2 4.15Å; F448-F453 AromaticContact CG-CZ 3.83Å; F448-F453 HydrophobicContact CG-CZ 3.83Å
449	R	95.1	Very high	95.6	Very high	158 Å²	158	48.1 Å²	48.1	60%	0.596	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.5	-173.8	65.2	-175.3	144.1	-159.1	-9.8	115.1	E415 P446	E415-R449 IonicContact OE1-CZ 2.98Å; E415-R449 VanDerWaalsContact OE1-CZ 3.27Å; E415-R449 IonicContact OE1-NH1 2.72Å; E415-R449 PolarHBondContact OE1-NH1 3.3Å; E415-R449 IonicContact OE1-NH2 2.87Å; E415-R449 PolarHBondContact OE1-NH2 2.9Å; E415-R449 IonicContact OE2-NH2 3.71Å; E415-R449 PolarHBondContact OE2-NH2 2.89Å; P446-R449 VanDerWaalsContact O-CB 3.29Å; P446-R449 WeakPolarHBondContact O-CB 3.48Å; P446-R449 VanDerWaalsContact O-CG 3.23Å; P446-R449 WeakPolarHBondContact O-CG 3.44Å; P446-R449 PolarHBondContact O-N 2.83Å
450	N	91.8	Very high	95.5	Very high	152 Å²	152	52.1 Å²	52.1	81%	0.813	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	3.4	-179.4	-63.3	-29.6	0	0	0	113.1	F448	F448-N450 PolarHBondContact O-N 2.97Å
451	M	95.5	Very high	95.4	Very high	25 Å²	25	52 Å²	52	12%	0.123	26%	0.256	C	S	.	.			trans	-92	115.3	-178.3	-178.1	54.2	69	0	0	110.8	L289 F290 A293 F448 F453 L456 L461	L289-M451 HydrophobicContact CD2-CE 3.65Å; F290-M451 HydrophobicContact CD2-CE 4.08Å; A293-M451 HydrophobicContact CB-CE 3.9Å; A293-M451 HydrophobicContact CB-CG 3.95Å; A293-M451 HydrophobicContact CB-SD 4.29Å; F448-M451 HydrophobicContact CB-CB 4.14Å; F448-M451 HydrophobicContact CD1-CB 4.37Å; F448-M451 WeakPolarHBondContact O-CB 3.5Å; F448-M451 PolarHBondContact O-N 2.97Å; M451-F453 HydrophobicContact CB-CD2 4.44Å; M451-F453 HydrophobicContact CB-CE2 4.06Å; M451-F453 HydrophobicContact CB-CZ 4.44Å; M451-F453 HydrophobicContact CG-CD1 4.31Å; M451-F453 HydrophobicContact CG-CD2 3.98Å; M451-F453 HydrophobicContact CG-CE1 4.15Å; M451-F453 HydrophobicContact CG-CE2 3.79Å; M451-F453 HydrophobicContact CG-CG 4.24Å; M451-F453 HydrophobicContact CG-CZ 3.88Å; M451-F453 PolarHBondContact O-N 3.29Å; M451-L456 HydrophobicContact SD-CB 4.14Å; M451-L456 HydrophobicContact SD-CD1 4.3Å; M451-L456 HydrophobicContact SD-CD2 3.97Å; M451-L456 HydrophobicContact SD-CG 4.38Å; M451-L461 HydrophobicContact CE-CD1 4.43Å; M451-L461 HydrophobicContact SD-CD1 3.47Å; M451-L461 WeakPolarHBondContact SD-CD1 3.21Å
452	N	93.3	Very high	95.4	Very high	39 Å²	39	57.7 Å²	57.7	21%	0.209	29%	0.288	C	S	.	.			trans	-87.3	94.8	169.4	-170.8	-50.8	0	0	0	109.9	K454 R455 L456	N452-K454 VanDerWaalsContact C-N 3.31Å; N452-K454 PolarHBondContact O-N 3.19Å; N452-K454 PolarHBondContact OD1-N 3.24Å; N452-R455 HydrophobicContact CB-CB 4.15Å; N452-R455 HydrophobicContact CB-CG 4.26Å; N452-R455 PolarHBondContact O-N 3.34Å; N452-R455 VanDerWaalsContact O-N 3.15Å; N452-R455 WeakPolarHBondContact OD1-CG 3.45Å; N452-R455 PolarHBondContact OD1-N 3.09Å; N452-R455 VanDerWaalsContact OD1-N 3.07Å; N452-L456 PolarHBondContact O-N 3.43Å
453	F	95	Very high	95.3	Very high	22 Å²	22	58.4 Å²	58.4	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-60.3	-34	-176	-78.6	-83.4	0	0	0	114.2	A293 L296 K443 F448 M451 R455 L456 E457	A293-F453 HydrophobicContact CB-CE1 3.77Å; A293-F453 HydrophobicContact CB-CZ 4.1Å; L296-F453 HydrophobicContact CD2-CE1 4.16Å; L296-F453 HydrophobicContact CD2-CZ 4.19Å; K443-F453 HydrophobicContact CB-CD2 3.87Å; K443-F453 HydrophobicContact CB-CE2 3.6Å; K443-F453 HydrophobicContact CB-CG 4.46Å; K443-F453 HydrophobicContact CB-CZ 4Å; K443-F453 HydrophobicContact CD-CB 4.25Å; K443-F453 HydrophobicContact CD-CD1 3.9Å; K443-F453 HydrophobicContact CD-CD2 4.05Å; K443-F453 HydrophobicContact CD-CE1 4.24Å; K443-F453 HydrophobicContact CD-CE2 4.39Å; K443-F453 HydrophobicContact CD-CG 3.79Å; K443-F453 HydrophobicContact CD-CZ 4.48Å; K443-F453 HydrophobicContact CG-CD1 3.94Å; K443-F453 HydrophobicContact CG-CD2 3.87Å; K443-F453 HydrophobicContact CG-CE1 3.77Å; K443-F453 HydrophobicContact CG-CE2 3.7Å; K443-F453 HydrophobicContact CG-CG 3.99Å; K443-F453 HydrophobicContact CG-CZ 3.65Å; K443-F453 WeakPolarHBondContact O-CE2 3.43Å; F448-F453 HydrophobicContact CB-CE2 3.87Å; F448-F453 HydrophobicContact CB-CZ 4.07Å; F448-F453 AromaticContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD2-CZ 4.21Å; F448-F453 HydrophobicContact CE1-CZ 4.45Å; F448-F453 HydrophobicContact CG-CE2 4.15Å; F448-F453 AromaticContact CG-CZ 3.83Å; F448-F453 HydrophobicContact CG-CZ 3.83Å; M451-F453 HydrophobicContact CB-CD2 4.44Å; M451-F453 HydrophobicContact CB-CE2 4.06Å; M451-F453 HydrophobicContact CB-CZ 4.44Å; M451-F453 HydrophobicContact CG-CD1 4.31Å; M451-F453 HydrophobicContact CG-CD2 3.98Å; M451-F453 HydrophobicContact CG-CE1 4.15Å; M451-F453 HydrophobicContact CG-CE2 3.79Å; M451-F453 HydrophobicContact CG-CG 4.24Å; M451-F453 HydrophobicContact CG-CZ 3.88Å; M451-F453 PolarHBondContact O-N 3.29Å; F453-R455 PolarHBondContact O-N 3.38Å; F453-L456 HydrophobicContact CD1-CD2 4.23Å; F453-L456 HydrophobicContact CE1-CD2 4.44Å; F453-L456 WeakPolarHBondContact O-CB 3.23Å; F453-L456 PolarHBondContact O-N 3.07Å; F453-E457 WeakPolarHBondContact O-CB 3.46Å; F453-E457 WeakPolarHBondContact O-CG 3.4Å; F453-E457 PolarHBondContact O-N 3.02Å
454	K	91.3	Very high	95.3	Very high	61 Å²	61	59.2 Å²	59.2	27%	0.265	30%	0.302	S	S	.	.	H	α-helix	trans	-65.7	-39.4	176.6	-69.7	-64.1	-171.8	167.6	0	112.1	K139 E140 N452 A458	K139-K454 HydrophobicContact CB-CG 4.26Å; K139-K454 HydrophobicContact CG-CG 4.04Å; E140-K454 WeakPolarHBondContact OE1-CE 3.27Å; E140-K454 IonicContact OE1-NZ 3.06Å; E140-K454 PolarHBondContact OE1-NZ 3.08Å; N452-K454 VanDerWaalsContact C-N 3.31Å; N452-K454 PolarHBondContact O-N 3.19Å; N452-K454 PolarHBondContact OD1-N 3.24Å; K454-A458 WeakPolarHBondContact O-CB 3.14Å; K454-A458 PolarHBondContact O-N 2.87Å
455	R	94	Very high	95.2	Very high	72 Å²	72	54.3 Å²	54.3	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-69.6	-36.7	173.8	-69.3	177	63.2	110.3	1	111.9	V92 N452 F453 A458 G459 M460 L461	V92-R455 HydrophobicContact CB-CG 4.46Å; V92-R455 WeakPolarHBondContact O-CG 3.36Å; N452-R455 HydrophobicContact CB-CB 4.15Å; N452-R455 HydrophobicContact CB-CG 4.26Å; N452-R455 PolarHBondContact O-N 3.34Å; N452-R455 VanDerWaalsContact O-N 3.15Å; N452-R455 WeakPolarHBondContact OD1-CG 3.45Å; N452-R455 PolarHBondContact OD1-N 3.09Å; N452-R455 VanDerWaalsContact OD1-N 3.07Å; F453-R455 PolarHBondContact O-N 3.38Å; R455-A458 PolarHBondContact O-N 3.16Å; R455-G459 PolarHBondContact O-N 3.21Å; R455-M460 HydrophobicContact CB-CB 4.26Å; R455-M460 WeakPolarHBondContact O-CB 3.34Å; R455-M460 PolarHBondContact O-N 3.25Å; R455-L461 HydrophobicContact CB-CD1 4.48Å; R455-L461 HydrophobicContact CB-CD2 3.91Å; R455-L461 HydrophobicContact CB-CG 4.03Å
456	L	95.9	Very high	95.1	Very high	1 Å²	1	58 Å²	58	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-62	-50.6	173.8	-173.2	69.1	0	0	0	111	F245 F290 A293 E294 M451 N452 F453 A458 G459 L461	F245-L456 HydrophobicContact CZ-CG 4.31Å; F290-L456 HydrophobicContact CE2-CD1 3.89Å; F290-L456 HydrophobicContact CZ-CD1 3.85Å; A293-L456 HydrophobicContact CB-CD2 3.53Å; E294-L456 HydrophobicContact CG-CD1 3.83Å; E294-L456 HydrophobicContact CG-CD2 4.12Å; E294-L456 HydrophobicContact CG-CG 4.23Å; M451-L456 HydrophobicContact SD-CB 4.14Å; M451-L456 HydrophobicContact SD-CD1 4.3Å; M451-L456 HydrophobicContact SD-CD2 3.97Å; M451-L456 HydrophobicContact SD-CG 4.38Å; N452-L456 PolarHBondContact O-N 3.43Å; F453-L456 HydrophobicContact CD1-CD2 4.23Å; F453-L456 HydrophobicContact CE1-CD2 4.44Å; F453-L456 WeakPolarHBondContact O-CB 3.23Å; F453-L456 PolarHBondContact O-N 3.07Å; L456-A458 PolarHBondContact O-N 3.5Å; L456-G459 PolarHBondContact O-N 3.23Å; L456-L461 HydrophobicContact CB-CD1 3.96Å; L456-L461 HydrophobicContact CD1-CB 4.4Å; L456-L461 HydrophobicContact CD1-CD1 4.15Å
457	E	94.8	Very high	94.9	Very high	49 Å²	49	55 Å²	55	23%	0.229	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-29.4	177.4	-72.9	164.9	175.1	0	0	112.7	Q244 F245 K443 F453 G459	Q244-E457 PolarHBondContact NE2-O 3.15Å; F245-E457 HydrophobicContact CE2-CG 4.15Å; K443-E457 IonicContact NZ-OE1 3.18Å; K443-E457 PolarHBondContact NZ-OE1 3.29Å; F453-E457 WeakPolarHBondContact O-CB 3.46Å; F453-E457 WeakPolarHBondContact O-CG 3.4Å; F453-E457 PolarHBondContact O-N 3.02Å; E457-G459 VanDerWaalsContact C-N 3.33Å
458	A	92.1	Very high	94.5	Very high	41 Å²	41	58.5 Å²	58.5	34%	0.339	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-0.6	173.6	0	0	0	0	0	114.2	V92 K454 R455 L456 M460	V92-A458 HydrophobicContact CG1-CB 3.65Å; K454-A458 WeakPolarHBondContact O-CB 3.14Å; K454-A458 PolarHBondContact O-N 2.87Å; R455-A458 PolarHBondContact O-N 3.16Å; L456-A458 PolarHBondContact O-N 3.5Å; A458-M460 VanDerWaalsContact C-N 3.32Å; A458-M460 HydrophobicContact CB-CE 4.23Å; A458-M460 HydrophobicContact CB-CG 3.91Å; A458-M460 HydrophobicContact CB-SD 4.28Å; A458-M460 PolarHBondContact O-N 3.42Å
459	G	93.1	Very high	93.9	Very high	37 Å²	37	62.5 Å²	62.5	38%	0.381	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	30	-178.3	0	0	0	0	0	113.8	R455 L456 E457	R455-G459 PolarHBondContact O-N 3.21Å; L456-G459 PolarHBondContact O-N 3.23Å; E457-G459 VanDerWaalsContact C-N 3.33Å
460	M	94.1	Very high	93.6	Very high	91 Å²	91	64.5 Å²	64.5	45%	0.448	34%	0.341	S	S	.	.			trans	-101.3	5.5	-175.3	-62.4	-169.3	173.7	0	0	114.3	V92 R455 A458	V92-M460 HydrophobicContact CB-CE 4.09Å; V92-M460 HydrophobicContact CB-SD 3.7Å; V92-M460 HydrophobicContact CG1-CE 4.11Å; V92-M460 HydrophobicContact CG1-SD 4.05Å; V92-M460 HydrophobicContact CG2-CE 3.76Å; V92-M460 HydrophobicContact CG2-SD 3.87Å; R455-M460 HydrophobicContact CB-CB 4.26Å; R455-M460 WeakPolarHBondContact O-CB 3.34Å; R455-M460 PolarHBondContact O-N 3.25Å; A458-M460 VanDerWaalsContact C-N 3.32Å; A458-M460 HydrophobicContact CB-CE 4.23Å; A458-M460 HydrophobicContact CB-CG 3.91Å; A458-M460 HydrophobicContact CB-SD 4.28Å; A458-M460 PolarHBondContact O-N 3.42Å
461	L	94.9	Very high	93.4	Very high	38 Å²	38	58.5 Å²	58.5	20%	0.199	31%	0.313	C	S	.	.	S	Bend	trans	-110.4	123.2	177	-58.6	-174.9	0	0	0	108.8	F290 H324 M451 R455 L456	F290-L461 HydrophobicContact CE2-CB 3.94Å; H324-L461 PolarHBondContact CE1-O 2.87Å; H324-L461 VanDerWaalsContact CE1-O 3.31Å; M451-L461 HydrophobicContact CE-CD1 4.43Å; M451-L461 HydrophobicContact SD-CD1 3.47Å; M451-L461 WeakPolarHBondContact SD-CD1 3.21Å; R455-L461 HydrophobicContact CB-CD1 4.48Å; R455-L461 HydrophobicContact CB-CD2 3.91Å; R455-L461 HydrophobicContact CB-CG 4.03Å; L456-L461 HydrophobicContact CB-CD1 3.96Å; L456-L461 HydrophobicContact CD1-CB 4.4Å; L456-L461 HydrophobicContact CD1-CD1 4.15Å
462	D	95.6	Very high	93	Very high	153 Å²	153	59 Å²	59	82%	0.818	32%	0.317	S	S	*	.			trans	-68.7	129.8	177.6	-64.8	-46.5	0	0	0	110
463	P	96.9	Very high	92.6	Very high	14 Å²	14	58.7 Å²	58.7	9%	0.091	31%	0.313	C	S	.	.			trans	-62.8	143.1	174.9	-26.2	36.8	0	0	0	112	F290 Y322 H324 F465	F290-P463 HydrophobicContact CD1-CB 4.42Å; F290-P463 HydrophobicContact CE1-CB 3.81Å; F290-P463 HydrophobicContact CE1-CG 3.87Å; F290-P463 HydrophobicContact CZ-CB 4.07Å; F290-P463 HydrophobicContact CZ-CG 3.89Å; Y322-P463 WeakPolarHBondContact O-CG 3.34Å; H324-P463 VanDerWaalsContact CE1-CG 3.48Å; H324-P463 WeakPolarHBondContact CE1-CG 3.25Å; P463-F465 PolarHBondContact O-N 2.96Å; P463-F465 VanDerWaalsContact O-N 3.09Å
464	P	96.5	Very high	91.9	Very high	56 Å²	56	59.3 Å²	59.3	36%	0.364	32%	0.32	S	S	.	.	S	Bend	trans	-70.1	-6.8	178.6	27.5	-33.8	0	0	0	113.3	E286 R287 F290	E286-P464 HydrophobicContact CG-CB 4.39Å; R287-P464 HydrophobicContact CB-CG 4.06Å; R287-P464 HydrophobicContact CG-CG 4.26Å; F290-P464 HydrophobicContact CB-CG 3.87Å; F290-P464 VanDerWaalsContact CG-CD 3.46Å; F290-P464 HydrophobicContact CG-CG 4.15Å
465	F	95.9	Very high	91.5	Very high	42 Å²	42	63.5 Å²	63.5	18%	0.184	34%	0.338	C	S	.	.			trans	-142.8	127.6	176.2	170.7	-90.6	0	0	0	110.3	H274 M278 L319 G323 P463 P467	H274-F465 AromaticContact CE1-CE1 3.38Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.34Å; H274-F465 AromaticContact CE1-CZ 3.8Å; H274-F465 AromaticContact ND1-CE1 3.64Å; H274-F465 AromaticContact ND1-CZ 3.97Å; M278-F465 HydrophobicContact CE-CE2 3.66Å; M278-F465 HydrophobicContact CE-CZ 3.63Å; M278-F465 HydrophobicContact SD-CE2 4.44Å; M278-F465 HydrophobicContact SD-CZ 4Å; L319-F465 HydrophobicContact CD2-CD1 4.09Å; L319-F465 HydrophobicContact CD2-CE1 4.18Å; G323-F465 WeakPolarHBondContact CA-O 3.15Å; P463-F465 PolarHBondContact O-N 2.96Å; P463-F465 VanDerWaalsContact O-N 3.09Å; F465-P467 HydrophobicContact CD1-CG 4.49Å; F465-P467 HydrophobicContact CE1-CB 4.29Å; F465-P467 HydrophobicContact CE1-CG 3.87Å
466	V	95.4	Very high	91	Very high	91 Å²	91	63.8 Å²	63.8	55%	0.552	35%	0.345	S	S	*	.			trans	-113.2	123.7	175.6	-175.7	0	0	0	0	109
467	P	93.6	Very high	90.3	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.019	36%	0.358	C	S	.	.			trans	-61.2	148.9	175.2	-21.5	31.9	0	0	0	112.7	L319 D320 F465 P469 Y473	L319-P467 HydrophobicContact CB-CG 4.46Å; L319-P467 HydrophobicContact CD2-CG 4.3Å; D320-P467 WeakPolarHBondContact O-CG 3.3Å; F465-P467 HydrophobicContact CD1-CG 4.49Å; F465-P467 HydrophobicContact CE1-CB 4.29Å; F465-P467 HydrophobicContact CE1-CG 3.87Å; P467-P469 WeakPolarHBondContact O-CD 3.31Å; P467-Y473 HydrophobicContact CB-CD2 4.23Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å
468	D	91.7	Very high	89.6	Confident	79 Å²	79	67.6 Å²	67.6	42%	0.422	37%	0.368	S	S	.	.			trans	-68.2	119.6	174	-179.8	-7.8	0	0	0	109.8	R470 A471 Y473	D468-R470 PolarHBondContact O-N 3.33Å; D468-R470 VanDerWaalsContact O-N 3.12Å; D468-R470 WeakPolarHBondContact OD1-CB 3.46Å; D468-R470 PolarHBondContact OD1-N 2.68Å; D468-A471 HydrophobicContact CB-CB 3.91Å; D468-A471 WeakPolarHBondContact O-CB 3.25Å; D468-A471 PolarHBondContact O-N 3.05Å; D468-Y473 PolarHBondContact N-OH 3.3Å
469	P	86.3	Confident	89.1	Confident	89 Å²	89	70.8 Å²	70.8	58%	0.578	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.1	-179.8	25.8	-35.3	0	0	0	113.5	L13 R16 P467	L13-P469 WeakPolarHBondContact CD2-O 3.48Å; R16-P469 PolarHBondContact NH1-O 3.49Å; R16-P469 PolarHBondContact NH2-O 2.94Å; P467-P469 WeakPolarHBondContact O-CD 3.31Å
470	R	87.4	Confident	88.5	Confident	199 Å²	199	70 Å²	70	75%	0.751	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.7	177.2	-60.3	178.1	177.7	171.5	2	112.9	L13 D468	L13-R470 WeakPolarHBondContact CD1-O 3.45Å; D468-R470 PolarHBondContact O-N 3.33Å; D468-R470 VanDerWaalsContact O-N 3.12Å; D468-R470 WeakPolarHBondContact OD1-CB 3.46Å; D468-R470 PolarHBondContact OD1-N 2.68Å
471	A	87.4	Confident	87.8	Confident	27 Å²	27	72.5 Å²	72.5	22%	0.223	38%	0.377	C	S	.	.			trans	-85.9	153	176.5	0	0	0	0	0	111.4	R16 D468 Y473	R16-A471 PolarHBondContact NH1-O 2.92Å; D468-A471 HydrophobicContact CB-CB 3.91Å; D468-A471 WeakPolarHBondContact O-CB 3.25Å; D468-A471 PolarHBondContact O-N 3.05Å; A471-Y473 HydrophobicContact CB-CD2 4.17Å; A471-Y473 HydrophobicContact CB-CE1 4.47Å; A471-Y473 HydrophobicContact CB-CE2 3.57Å
472	V	87.1	Confident	86.9	Confident	35 Å²	35	79.1 Å²	79.1	21%	0.212	41%	0.407	C	S	.	.			trans	-116.6	104.5	170.9	179.8	0	0	0	0	107.1	N9 L13 C474	N9-V472 HydrophobicContact CB-CG2 4.4Å; L13-V472 HydrophobicContact CD2-CG2 4.06Å; L13-V472 HydrophobicContact CG-CG2 4.23Å; V472-C474 WeakPolarHBondContact CG1-SG 3.22Å; V472-C474 PolarHBondContact O-N 3.26Å
473	Y	85.3	Confident	85.9	Confident	33 Å²	33	74.3 Å²	74.3	13%	0.129	38%	0.379	C	S	.	.			trans	-83.6	52.8	-175.2	-65.8	-86.6	0	0	0	112.2	G268 G269 F273 M278 P467 D468 A471	G268-Y473 VanDerWaalsContact O-CB 3.32Å; G268-Y473 WeakPolarHBondContact O-CB 3.42Å; G269-Y473 WeakPolarHBondContact CA-O 3.44Å; F273-Y473 HydrophobicContact CD1-CD1 4.11Å; F273-Y473 AromaticContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CD1 3.72Å; F273-Y473 HydrophobicContact CE1-CE1 4.31Å; M278-Y473 HydrophobicContact SD-CE1 4.49Å; P467-Y473 HydrophobicContact CB-CD2 4.23Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å; D468-Y473 PolarHBondContact N-OH 3.3Å; A471-Y473 HydrophobicContact CB-CD2 4.17Å; A471-Y473 HydrophobicContact CB-CE1 4.47Å; A471-Y473 HydrophobicContact CB-CE2 3.57Å
474	C	81.6	Confident	85.1	Confident	35 Å²	35	78.2 Å²	78.2	24%	0.236	41%	0.406	C	S	.	.	S	Bend	trans	-147	163.4	172	67.6	0	0	0	0	111.3	R190 L192 V472	R190-C474 PolarHBondContact NH2-SG 3Å; L192-C474 WeakPolarHBondContact O-CB 3.45Å; V472-C474 WeakPolarHBondContact CG1-SG 3.22Å; V472-C474 PolarHBondContact O-N 3.26Å
475	K	82.6	Confident	84.5	Confident	149 Å²	149	81.3 Å²	81.3	65%	0.648	42%	0.424	S	S	*	.			trans	-58.4	154.7	179.1	-65.4	-176.2	178.9	-177.7	0	111.4	R190 D479 I480	R190-K475 PolarHBondContact NH2-O 3.08Å; K475-D479 HydrophobicContact CB-CB 4.29Å; K475-I480 HydrophobicContact CB-CG1 4.14Å
476	D	83.4	Confident	84.1	Confident	77 Å²	77	80 Å²	80	41%	0.412	42%	0.42	S	S	.	.			trans	-58.6	145.6	171.7	-75.7	-15.6	0	0	0	110.9	N5 L478 D479 I480	N5-D476 PolarHBondContact ND2-OD1 2.88Å; D476-L478 PolarHBondContact O-N 3.31Å; D476-D479 HydrophobicContact CB-CB 4.45Å; D476-D479 WeakPolarHBondContact O-CB 3.37Å; D476-D479 PolarHBondContact O-N 2.99Å; D476-I480 PolarHBondContact O-N 3.24Å
477	V	80.9	Confident	83.7	Confident	46 Å²	46	84.2 Å²	84.2	28%	0.279	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-32.8	-173.8	175.9	0	0	0	0	112.2	N5 A8 R190	N5-V477 PolarHBondContact OD1-N 3.47Å; A8-V477 HydrophobicContact CB-CG2 4.39Å; R190-V477 HydrophobicContact CB-CG2 4.34Å
478	L	79.6	Confident	83.5	Confident	84 Å²	84	88.1 Å²	88.1	44%	0.44	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.6	-179.8	-60	174.5	0	0	0	113.3	M1 D476 I480	M1-L478 HydrophobicContact CB-CD1 4.46Å; M1-L478 HydrophobicContact CG-CD1 3.26Å; M1-L478 HydrophobicContact SD-CD1 4.26Å; D476-L478 PolarHBondContact O-N 3.31Å; L478-I480 VanDerWaalsContact C-N 3.27Å
479	D	82.6	Confident	83.5	Confident	108 Å²	108	85.5 Å²	85.5	58%	0.578	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.3	175.7	-67.5	-21.9	0	0	0	112.3	K475 D476 E481	K475-D479 HydrophobicContact CB-CB 4.29Å; D476-D479 HydrophobicContact CB-CB 4.45Å; D476-D479 WeakPolarHBondContact O-CB 3.37Å; D476-D479 PolarHBondContact O-N 2.99Å; D479-E481 PolarHBondContact O-N 2.83Å; D479-E481 VanDerWaalsContact O-N 3.16Å
480	I	80.1	Confident	83.7	Confident	20 Å²	20	87.8 Å²	87.8	10%	0.103	47%	0.465	C	S	.	.	S	Bend	trans	-77.9	100	170.7	-57.9	175.7	0	0	0	107.4	V191 K194 K475 D476 L478 Q482	V191-I480 HydrophobicContact CB-CD1 4.2Å; V191-I480 HydrophobicContact CG1-CD1 3.82Å; V191-I480 HydrophobicContact CG1-CG2 4.2Å; K194-I480 HydrophobicContact CB-CG2 3.98Å; K475-I480 HydrophobicContact CB-CG1 4.14Å; D476-I480 PolarHBondContact O-N 3.24Å; L478-I480 VanDerWaalsContact C-N 3.27Å; I480-Q482 PolarHBondContact O-N 3.46Å
481	E	78.4	Confident	83.9	Confident	145 Å²	145	81.4 Å²	81.4	68%	0.678	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-46.4	123.4	-179.1	-70.4	-179.6	179.2	0	0	112.5	K194 D479	K194-E481 HydrophobicContact CD-CB 4.28Å; K194-E481 WeakPolarHBondContact CD-O 3.5Å; K194-E481 WeakPolarHBondContact CE-O 3.29Å; K194-E481 PolarHBondContact NZ-O 3.33Å; K194-E481 IonicContact NZ-OE2 2.68Å; K194-E481 PolarHBondContact NZ-OE2 3.39Å; D479-E481 PolarHBondContact O-N 2.83Å; D479-E481 VanDerWaalsContact O-N 3.16Å
482	Q	76.7	Confident	84	Confident	176 Å²	176	83.4 Å²	83.4	82%	0.822	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-72.1	148.3	175.1	-66.1	-176.3	0.1	0	0	111.5	I480	I480-Q482 PolarHBondContact O-N 3.46Å
483	F	74.5	Confident	83.9	Confident	53 Å²	53	88.6 Å²	88.6	23%	0.232	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-78.5	140.5	172.2	-85.3	-61.9	0	0	0	111.4	K194 G195 G198 R221	K194-F483 HydrophobicContact CD-CE2 3.99Å; K194-F483 HydrophobicContact CD-CZ 4.04Å; K194-F483 HydrophobicContact CG-CD2 4.35Å; K194-F483 HydrophobicContact CG-CE2 3.52Å; K194-F483 HydrophobicContact CG-CZ 3.79Å; G195-F483 VanDerWaalsContact O-CZ 3.23Å; G195-F483 WeakPolarHBondContact O-CZ 3.04Å; G198-F483 WeakPolarHBondContact O-CE2 3.46Å; R221-F483 VanDerWaalsContact NH2-CB 3.34Å
484	S	80.8	Confident	83.9	Confident	95 Å²	95	91 Å²	91	66%	0.664	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-65.9	136.1	165.6	53.7	0	0	0	0	110.4	R221 V486	R221-S484 PolarHBondContact NH2-O 2.94Å; S484-V486 PolarHBondContact O-N 3.38Å
485	T	83.6	Confident	84.3	Confident	122 Å²	122	89.9 Å²	89.9	75%	0.748	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-60.4	128.9	178.3	-48.9	0	0	0	0	110.6	K487	T485-K487 PolarHBondContact O-N 3.39Å
486	V	86.5	Confident	84.6	Confident	14 Å²	14	87.2 Å²	87.2	9%	0.085	48%	0.477	C	S	.	.			trans	-76.3	107.2	176.7	-176.5	0	0	0	0	109.7	K220 R221 K224 S484 V489	K220-V486 HydrophobicContact CB-CB 4.01Å; K220-V486 HydrophobicContact CB-CG1 4.04Å; R221-V486 HydrophobicContact CB-CG2 4.26Å; K224-V486 HydrophobicContact CB-CG1 4.31Å; K224-V486 HydrophobicContact CD-CG1 3.81Å; S484-V486 PolarHBondContact O-N 3.38Å; V486-V489 HydrophobicContact CG1-CB 4.05Å; V486-V489 HydrophobicContact CG1-CG2 3.56Å
487	K	87.9	Confident	84.9	Confident	180 Å²	180	88.6 Å²	88.6	78%	0.783	49%	0.485	S	S	*	.			trans	-94.8	155.5	172.6	-63	-175	-179.6	-178.4	0	111	T485 V489	T485-K487 PolarHBondContact O-N 3.39Å; K487-V489 VanDerWaalsContact C-N 3.33Å; K487-V489 PolarHBondContact O-N 3.41Å
488	G	89.4	Confident	85.5	Confident	85 Å²	85	87.4 Å²	87.4	88%	0.876	48%	0.476	S	S	*	.	S	Bend	trans	75	14.6	173.4	0	0	0	0	0	115.6
489	V	91.4	Very high	86.2	Confident	23 Å²	23	83.6 Å²	83.6	14%	0.139	46%	0.456	C	S	.	.			trans	-116.1	119	176.5	179.7	0	0	0	0	108.9	K220 K223 K224 V486 K487	K220-V489 HydrophobicContact CB-CB 4.42Å; K220-V489 HydrophobicContact CB-CG1 4.29Å; K220-V489 HydrophobicContact CG-CG1 4.44Å; K223-V489 HydrophobicContact CB-CG1 4.09Å; K223-V489 HydrophobicContact CD-CG1 3.91Å; K223-V489 HydrophobicContact CG-CG1 4.09Å; K224-V489 HydrophobicContact CB-CG2 4.18Å; V486-V489 HydrophobicContact CG1-CB 4.05Å; V486-V489 HydrophobicContact CG1-CG2 3.56Å; K487-V489 VanDerWaalsContact C-N 3.33Å; K487-V489 PolarHBondContact O-N 3.41Å
490	N	91.1	Very high	86.7	Confident	137 Å²	137	82.2 Å²	82.2	73%	0.733	45%	0.454	S	S	*	.			trans	-103.8	137.3	173.5	-65.6	-29.5	0	0	0	109.2	K223	K223-N490 WeakPolarHBondContact CE-O 3.37Å; K223-N490 PolarHBondContact NZ-O 3.26Å
491	L	91.6	Very high	87.3	Confident	66 Å²	66	87.8 Å²	87.8	35%	0.346	48%	0.478	S	S	.	.			trans	-86.1	137.9	170.7	-54	-177.9	0	0	0	107.8	K219 K220 K223 D495 Y499	K219-L491 HydrophobicContact CB-CD1 3.86Å; K219-L491 HydrophobicContact CB-CD2 4.38Å; K219-L491 HydrophobicContact CD-CD1 4.01Å; K220-L491 HydrophobicContact CG-CD2 4.35Å; K223-L491 HydrophobicContact CD-CD2 4.01Å; L491-D495 VanDerWaalsContact CA-OD2 3.23Å; L491-D495 WeakPolarHBondContact CA-OD2 3.4Å; L491-Y499 HydrophobicContact CD1-CE2 4.47Å; L491-Y499 WeakPolarHBondContact CD2-OH 3.49Å
492	D	88.5	Confident	88.2	Confident	68 Å²	68	80.9 Å²	80.9	36%	0.364	45%	0.445	S	S	.	.			trans	-132	175.4	-179	63.2	58.5	0	0	0	110.4	K223 T494 D495	K223-D492 IonicContact NZ-OD1 2.78Å; K223-D492 IonicContact NZ-OD2 3.53Å; K223-D492 PolarHBondContact NZ-OD2 3.05Å; D492-T494 PolarHBondContact O-N 3.27Å; D492-T494 VanDerWaalsContact O-N 3.12Å; D492-T494 WeakPolarHBondContact OD1-CB 3.17Å; D492-T494 PolarHBondContact OD1-N 3.17Å; D492-T494 PolarHBondContact OD1-OG1 2.91Å; D492-D495 PolarHBondContact N-OD2 2.75Å; D492-D495 VanDerWaalsContact O-CB 3.32Å; D492-D495 WeakPolarHBondContact O-CB 3.46Å; D492-D495 PolarHBondContact O-N 3.18Å
493	H	86.6	Confident	89.1	Confident	144 Å²	144	74.1 Å²	74.1	67%	0.667	42%	0.417	S	S	*	.	H	α-helix	trans	-60	-23.4	-174.2	67.6	-80.3	0	0	0	114.3	D495 D496	H493-D495 PolarHBondContact O-N 2.93Å; H493-D496 PolarHBondContact O-N 2.93Å
494	T	83.6	Confident	90.1	Very high	85 Å²	85	74.8 Å²	74.8	52%	0.521	43%	0.426	S	S	.	.	H	α-helix	trans	-70.6	-21.9	177.5	68.9	0	0	0	0	111.9	D492	D492-T494 PolarHBondContact O-N 3.27Å; D492-T494 VanDerWaalsContact O-N 3.12Å; D492-T494 WeakPolarHBondContact OD1-CB 3.17Å; D492-T494 PolarHBondContact OD1-N 3.17Å; D492-T494 PolarHBondContact OD1-OG1 2.91Å
495	D	90.6	Very high	91	Very high	10 Å²	10	70.8 Å²	70.8	5%	0.053	40%	0.4	C	S	.	.	H	α-helix	trans	-76.1	-26.9	175	-55.6	-63.9	0	0	0	112.3	K223 L491 D492 H493 D497 F498 Y499	K223-D495 WeakPolarHBondContact CD-OD1 3.12Å; K223-D495 WeakPolarHBondContact CE-OD1 3.36Å; K223-D495 IonicContact NZ-OD1 2.7Å; K223-D495 PolarHBondContact NZ-OD1 3.26Å; K223-D495 IonicContact NZ-OD2 3.78Å; K223-D495 PolarHBondContact NZ-OD2 2.89Å; L491-D495 VanDerWaalsContact CA-OD2 3.23Å; L491-D495 WeakPolarHBondContact CA-OD2 3.4Å; D492-D495 PolarHBondContact N-OD2 2.75Å; D492-D495 VanDerWaalsContact O-CB 3.32Å; D492-D495 WeakPolarHBondContact O-CB 3.46Å; D492-D495 PolarHBondContact O-N 3.18Å; H493-D495 PolarHBondContact O-N 2.93Å; D495-D497 PolarHBondContact O-N 3.09Å; D495-F498 WeakPolarHBondContact O-CB 3.33Å; D495-F498 PolarHBondContact O-N 3.35Å; D495-F498 VanDerWaalsContact O-N 3.14Å; D495-Y499 HydrophobicContact CB-CD2 4.29Å; D495-Y499 HydrophobicContact CB-CE1 4.3Å; D495-Y499 HydrophobicContact CB-CE2 3.54Å; D495-Y499 WeakPolarHBondContact CB-OH 3.35Å; D495-Y499 WeakPolarHBondContact O-CD1 3.43Å; D495-Y499 VanDerWaalsContact O-CD2 3.3Å; D495-Y499 WeakPolarHBondContact O-CD2 3.4Å; D495-Y499 PolarHBondContact O-N 3.14Å
496	D	89.8	Confident	91.6	Very high	93 Å²	93	66 Å²	66	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-68.3	-33.8	-174.8	-68.5	-25.6	0	0	0	112.3	H493 F498 Y499 S500	H493-D496 PolarHBondContact O-N 2.93Å; D496-F498 VanDerWaalsContact C-N 3.29Å; D496-F498 PolarHBondContact O-N 3.16Å; D496-Y499 PolarHBondContact O-N 3.25Å; D496-S500 WeakPolarHBondContact O-CB 3.39Å; D496-S500 PolarHBondContact O-N 3.29Å; D496-S500 PolarHBondContact O-OG 3.11Å
497	D	89.9	Confident	92.2	Very high	106 Å²	106	65.9 Å²	65.9	57%	0.567	37%	0.371	S	S	*	.	H	α-helix	trans	-62.2	-37.8	172.4	-80	-3.9	0	0	0	111.8	D495 S500 K501	D495-D497 PolarHBondContact O-N 3.09Å; D497-S500 PolarHBondContact O-OG 3.35Å; D497-K501 WeakPolarHBondContact O-CD 3.45Å; D497-K501 VanDerWaalsContact O-CG 3.22Å; D497-K501 WeakPolarHBondContact O-CG 3.19Å; D497-K501 PolarHBondContact O-N 3.26Å
498	F	92.7	Very high	92.6	Very high	21 Å²	21	58.6 Å²	58.6	9%	0.092	34%	0.343	C	S	.	.	H	α-helix	trans	-70.5	-43.4	175.2	160.7	-115.4	0	0	0	111	I222 E228 A231 L232 L259 D495 D496 S500 K501 F502	I222-F498 HydrophobicContact CG2-CE1 4.14Å; I222-F498 HydrophobicContact CG2-CZ 4.39Å; E228-F498 HydrophobicContact CB-CD1 4.26Å; E228-F498 HydrophobicContact CB-CD2 3.99Å; E228-F498 HydrophobicContact CB-CE1 4.18Å; E228-F498 HydrophobicContact CB-CE2 3.91Å; E228-F498 HydrophobicContact CB-CG 4.17Å; E228-F498 HydrophobicContact CB-CZ 4.02Å; E228-F498 HydrophobicContact CG-CD1 3.97Å; E228-F498 HydrophobicContact CG-CE1 4.01Å; E228-F498 HydrophobicContact CG-CG 4.25Å; E228-F498 HydrophobicContact CG-CZ 4.35Å; E228-F498 VanDerWaalsContact O-CE2 3.25Å; E228-F498 WeakPolarHBondContact O-CE2 3.4Å; A231-F498 HydrophobicContact CB-CZ 4.18Å; L232-F498 HydrophobicContact CB-CE2 4.1Å; L259-F498 HydrophobicContact CD1-CD1 4.48Å; L259-F498 HydrophobicContact CD1-CE1 3.5Å; L259-F498 VanDerWaalsContact CD1-CE1 3.5Å; L259-F498 HydrophobicContact CD1-CZ 3.53Å; D495-F498 WeakPolarHBondContact O-CB 3.33Å; D495-F498 PolarHBondContact O-N 3.35Å; D495-F498 VanDerWaalsContact O-N 3.14Å; D496-F498 VanDerWaalsContact C-N 3.29Å; D496-F498 PolarHBondContact O-N 3.16Å; F498-S500 PolarHBondContact O-N 3.04Å; F498-K501 PolarHBondContact O-N 3.01Å; F498-F502 WeakPolarHBondContact O-CB 3.38Å; F498-F502 PolarHBondContact O-N 2.93Å
499	Y	93.8	Very high	93	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-65.3	-38.6	-179.5	-58.8	-25.9	0	0	0	113.3	K219 E254 L259 L491 D495 D496 F502 S503	K219-Y499 HydrophobicContact CB-CE1 4.44Å; K219-Y499 HydrophobicContact CD-CD1 4.47Å; K219-Y499 HydrophobicContact CD-CD2 4.28Å; K219-Y499 HydrophobicContact CD-CE1 3.97Å; K219-Y499 HydrophobicContact CD-CE2 3.73Å; K219-Y499 HydrophobicContact CG-CE1 3.86Å; K219-Y499 HydrophobicContact CG-CE2 4.46Å; K219-Y499 VanDerWaalsContact NZ-CD2 3.27Å; E254-Y499 WeakPolarHBondContact OE2-CB 3.29Å; L259-Y499 HydrophobicContact CD1-CD1 4.08Å; L259-Y499 HydrophobicContact CD1-CE1 4.4Å; L259-Y499 HydrophobicContact CD2-CD1 3.8Å; L259-Y499 HydrophobicContact CD2-CG 4.31Å; L259-Y499 HydrophobicContact CG-CD1 4.27Å; L491-Y499 HydrophobicContact CD1-CE2 4.47Å; L491-Y499 WeakPolarHBondContact CD2-OH 3.49Å; D495-Y499 HydrophobicContact CB-CD2 4.29Å; D495-Y499 HydrophobicContact CB-CE1 4.3Å; D495-Y499 HydrophobicContact CB-CE2 3.54Å; D495-Y499 WeakPolarHBondContact CB-OH 3.35Å; D495-Y499 WeakPolarHBondContact O-CD1 3.43Å; D495-Y499 VanDerWaalsContact O-CD2 3.3Å; D495-Y499 WeakPolarHBondContact O-CD2 3.4Å; D495-Y499 PolarHBondContact O-N 3.14Å; D496-Y499 PolarHBondContact O-N 3.25Å; Y499-F502 PolarHBondContact O-N 3.43Å; Y499-S503 WeakPolarHBondContact O-CB 3.15Å; Y499-S503 PolarHBondContact O-N 3.18Å; Y499-S503 PolarHBondContact O-OG 3.3Å
500	S	92.4	Very high	93.3	Very high	78 Å²	78	56.1 Å²	56.1	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-41.6	175.9	59.1	0	0	0	0	112.1	D496 D497 F498 F502 S503	D496-S500 WeakPolarHBondContact O-CB 3.39Å; D496-S500 PolarHBondContact O-N 3.29Å; D496-S500 PolarHBondContact O-OG 3.11Å; D497-S500 PolarHBondContact O-OG 3.35Å; F498-S500 PolarHBondContact O-N 3.04Å; S500-F502 VanDerWaalsContact C-N 3.27Å; S500-F502 PolarHBondContact O-N 2.84Å; S500-S503 PolarHBondContact O-N 2.88Å
501	K	94.1	Very high	93.7	Very high	137 Å²	137	50.1 Å²	50.1	60%	0.596	28%	0.276	S	S	*	.	H	α-helix	trans	-63.2	-32.9	173.5	-72.3	170.6	-170.9	172.8	0	112.9	L232 D497 F498	L232-K501 HydrophobicContact CD1-CB 4.38Å; D497-K501 WeakPolarHBondContact O-CD 3.45Å; D497-K501 VanDerWaalsContact O-CG 3.22Å; D497-K501 WeakPolarHBondContact O-CG 3.19Å; D497-K501 PolarHBondContact O-N 3.26Å; F498-K501 PolarHBondContact O-N 3.01Å
502	F	96.3	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-75.1	-41.6	179.2	-173.4	-82.3	0	0	0	112.5	L217 A231 K235 A252 L259 L261 F498 Y499 S500 T504	L217-F502 HydrophobicContact CD1-CE2 4.34Å; L217-F502 HydrophobicContact CD1-CZ 4.22Å; A231-F502 HydrophobicContact CB-CE2 4.44Å; K235-F502 HydrophobicContact CB-CD2 4.19Å; K235-F502 HydrophobicContact CB-CE2 3.87Å; K235-F502 HydrophobicContact CB-CZ 4.45Å; K235-F502 HydrophobicContact CG-CD2 4.36Å; K235-F502 HydrophobicContact CG-CE2 4.22Å; K235-F502 HydrophobicContact CG-CZ 4.47Å; A252-F502 HydrophobicContact CB-CE1 4.35Å; A252-F502 WeakPolarHBondContact CB-O 3.36Å; L259-F502 HydrophobicContact CB-CD1 3.96Å; L259-F502 HydrophobicContact CB-CE1 3.62Å; L259-F502 HydrophobicContact CB-CE2 4.45Å; L259-F502 HydrophobicContact CB-CZ 3.86Å; L259-F502 HydrophobicContact CD1-CB 4.32Å; L259-F502 HydrophobicContact CD1-CD1 4.1Å; L259-F502 HydrophobicContact CD1-CD2 3.93Å; L259-F502 HydrophobicContact CD1-CE1 4.4Å; L259-F502 HydrophobicContact CD1-CE2 4.2Å; L259-F502 HydrophobicContact CD1-CG 3.85Å; L259-F502 HydrophobicContact CD1-CZ 4.4Å; L259-F502 HydrophobicContact CD2-CD1 3.99Å; L259-F502 HydrophobicContact CD2-CE1 4.5Å; L259-F502 HydrophobicContact CD2-CG 4.35Å; L259-F502 HydrophobicContact CG-CD1 4.24Å; L259-F502 HydrophobicContact CG-CE1 4.39Å; L259-F502 HydrophobicContact CG-CG 4.47Å; L261-F502 HydrophobicContact CD1-CZ 4.39Å; L261-F502 HydrophobicContact CD2-CE1 3.9Å; L261-F502 HydrophobicContact CD2-CE2 4.11Å; L261-F502 HydrophobicContact CD2-CZ 3.36Å; L261-F502 HydrophobicContact CG-CE1 4.46Å; L261-F502 HydrophobicContact CG-CZ 3.72Å; F498-F502 WeakPolarHBondContact O-CB 3.38Å; F498-F502 PolarHBondContact O-N 2.93Å; Y499-F502 PolarHBondContact O-N 3.43Å; S500-F502 VanDerWaalsContact C-N 3.27Å; S500-F502 PolarHBondContact O-N 2.84Å; F502-T504 PolarHBondContact O-N 2.98Å
503	S	95.9	Very high	94.5	Very high	34 Å²	34	46.4 Å²	46.4	24%	0.238	26%	0.256	C	S	.	.			trans	-86.3	67.1	-166.8	-56.4	0	0	0	0	112.8	A252 E254 Y499 S500 G505	A252-S503 CarbonylContact O-C 3.5Å; E254-S503 WeakPolarHBondContact CB-OG 3.44Å; E254-S503 PolarHBondContact N-OG 3.24Å; Y499-S503 WeakPolarHBondContact O-CB 3.15Å; Y499-S503 PolarHBondContact O-N 3.18Å; Y499-S503 PolarHBondContact O-OG 3.3Å; S500-S503 PolarHBondContact O-N 2.88Å; S503-G505 VanDerWaalsContact C-N 3.28Å; S503-G505 PolarHBondContact O-N 3.45Å
504	T	96.8	Very high	95	Very high	67 Å²	67	39.5 Å²	39.5	41%	0.411	23%	0.225	S	C	.	.			trans	-78.7	-4.7	-176.9	57.1	0	0	0	0	115.1	K235 E239 A252 F502	K235-T504 VanDerWaalsContact CE-OG1 3.24Å; K235-T504 WeakPolarHBondContact CE-OG1 3.42Å; K235-T504 PolarHBondContact NZ-OG1 3.4Å; E239-T504 PolarHBondContact OE1-OG1 3.05Å; E239-T504 VanDerWaalsContact OE1-OG1 3.05Å; A252-T504 PolarHBondContact O-N 3.32Å; F502-T504 PolarHBondContact O-N 2.98Å
505	G	97.7	Very high	95.8	Very high	12 Å²	12	35.6 Å²	35.6	12%	0.124	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.8	-137	-176.6	0	0	0	0	0	111.7	Y251 A252 S503	Y251-G505 CarbonylContact C-O 3.53Å; Y251-G505 VanDerWaalsContact CA-O 3.29Å; Y251-G505 WeakPolarHBondContact CA-O 3.48Å; A252-G505 PolarHBondContact N-O 2.92Å; A252-G505 WeakPolarHBondContact O-CA 3.49Å; A252-G505 PolarHBondContact O-N 3.22Å; S503-G505 VanDerWaalsContact C-N 3.28Å; S503-G505 PolarHBondContact O-N 3.45Å
506	S	98.1	Very high	96.1	Very high	21 Å²	21	37.5 Å²	37.5	15%	0.147	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	140.5	-178.9	-43.9	0	0	0	0	111.8	E177	E177-S506 WeakPolarHBondContact O-CB 3.39Å; E177-S506 PolarHBondContact O-OG 3.25Å
507	V	98.2	Very high	96.4	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.073	21%	0.212	C	C	.	.			trans	-91.9	129.1	169.8	-177.2	0	0	0	0	108.8	E239 L249 A250 P510 W511	E239-V507 HydrophobicContact CG-CG1 4.11Å; E239-V507 HydrophobicContact CG-CG2 4.2Å; L249-V507 HydrophobicContact CB-CG2 4.48Å; L249-V507 HydrophobicContact CD2-CG2 3.95Å; L249-V507 HydrophobicContact CG-CG2 3.83Å; L249-V507 WeakPolarHBondContact O-CB 3.36Å; L249-V507 WeakPolarHBondContact O-CG2 3.32Å; A250-V507 PolarHBondContact O-N 3.45Å; V507-P510 HydrophobicContact CG1-CG 4.31Å; V507-P510 WeakPolarHBondContact O-CD 3.4Å; V507-W511 WeakPolarHBondContact O-CB 3.4Å; V507-W511 PolarHBondContact O-N 2.53Å
508	S	97.2	Very high	96.7	Very high	27 Å²	27	34.7 Å²	34.7	19%	0.189	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-57	-161.7	-170.7	0	0	0	0	114.5	Q60 K174 E177 W511 Q512	Q60-S508 PolarHBondContact OE1-OG 3.26Å; K174-S508 PolarHBondContact NZ-OG 3.1Å; E177-S508 VanDerWaalsContact CD-OG 3.28Å; E177-S508 PolarHBondContact OE1-OG 3.49Å; E177-S508 VanDerWaalsContact OE2-CA 3.27Å; E177-S508 WeakPolarHBondContact OE2-CA 3.28Å; E177-S508 WeakPolarHBondContact OE2-CB 3.4Å; E177-S508 PolarHBondContact OE2-OG 2.92Å; S508-W511 PolarHBondContact O-N 3.25Å; S508-Q512 WeakPolarHBondContact O-CB 3.46Å; S508-Q512 VanDerWaalsContact O-CG 3.27Å; S508-Q512 WeakPolarHBondContact O-CG 3.26Å; S508-Q512 PolarHBondContact O-N 3.22Å; S508-Q512 PolarHBondContact OG-NE2 2.97Å; S508-Q512 VanDerWaalsContact OG-NE2 3.1Å
509	I	97.6	Very high	96.9	Very high	39 Å²	39	37.4 Å²	37.4	20%	0.2	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-51	-175.2	-63.4	173.3	0	0	0	111.6	K59 P61 W511 Q512 N513	K59-I509 HydrophobicContact CB-CD1 4.48Å; P61-I509 HydrophobicContact CG-CG2 4.03Å; I509-W511 VanDerWaalsContact C-N 3.33Å; I509-W511 PolarHBondContact O-N 3.34Å; I509-Q512 PolarHBondContact O-N 2.94Å; I509-N513 PolarHBondContact O-N 2.99Å
510	P	98	Very high	97.1	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.104	20%	0.204	C	C	.	.	H	α-helix	trans	-65.7	-32.8	179.9	-25.5	39.3	0	0	0	113.7	N248 L249 A250 V507 E514	N248-P510 HydrophobicContact CB-CG 4.14Å; L249-P510 WeakPolarHBondContact O-CG 3.32Å; A250-P510 HydrophobicContact CB-CB 4.04Å; V507-P510 HydrophobicContact CG1-CG 4.31Å; V507-P510 WeakPolarHBondContact O-CD 3.4Å; P510-E514 WeakPolarHBondContact O-CB 3.16Å; P510-E514 PolarHBondContact O-N 3.16Å
511	W	98.5	Very high	97.4	Very high	11 Å²	11	34.1 Å²	34.1	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-43.1	174.1	-177.2	91.9	0	0	0	111.8	I62 W173 L176 E177 Y251 V507 S508 I509 E514 M515	I62-W511 HydrophobicContact CD1-CZ3 4.26Å; W173-W511 AromaticContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CH2 3.79Å; W173-W511 HydrophobicContact CE3-CZ3 4.07Å; W173-W511 HydrophobicContact CZ3-CH2 4.2Å; L176-W511 HydrophobicContact CB-CH2 3.85Å; L176-W511 HydrophobicContact CB-CZ2 4.06Å; E177-W511 HydrophobicContact CB-CD2 3.96Å; E177-W511 HydrophobicContact CB-CE3 3.66Å; E177-W511 HydrophobicContact CB-CH2 3.96Å; E177-W511 HydrophobicContact CB-CZ2 4.24Å; E177-W511 HydrophobicContact CB-CZ3 3.67Å; E177-W511 HydrophobicContact CG-CD2 3.84Å; E177-W511 HydrophobicContact CG-CE3 3.71Å; E177-W511 HydrophobicContact CG-CG 4.19Å; E177-W511 HydrophobicContact CG-CZ3 4.25Å; Y251-W511 AromaticContact CE1-CD1 3.66Å; Y251-W511 AromaticContact CZ-CD1 3.78Å; Y251-W511 VanDerWaalsContact OH-CD1 3.31Å; V507-W511 WeakPolarHBondContact O-CB 3.4Å; V507-W511 PolarHBondContact O-N 2.53Å; S508-W511 PolarHBondContact O-N 3.25Å; I509-W511 VanDerWaalsContact C-N 3.33Å; I509-W511 PolarHBondContact O-N 3.34Å; W511-E514 WeakPolarHBondContact O-CB 3.29Å; W511-E514 PolarHBondContact O-N 3.11Å; W511-M515 HydrophobicContact CD2-CE 3.98Å; W511-M515 HydrophobicContact CD2-CG 4.19Å; W511-M515 VanDerWaalsContact CE2-CE 3.42Å; W511-M515 HydrophobicContact CE3-CG 4.01Å; W511-M515 HydrophobicContact CG-CE 4.3Å; W511-M515 HydrophobicContact CH2-CE 4.48Å; W511-M515 HydrophobicContact CH2-CG 3.83Å; W511-M515 HydrophobicContact CH2-SD 4.29Å; W511-M515 HydrophobicContact CZ2-CE 3.71Å; W511-M515 HydrophobicContact CZ2-CG 4Å; W511-M515 HydrophobicContact CZ2-SD 3.98Å; W511-M515 HydrophobicContact CZ3-CG 3.83Å; W511-M515 WeakPolarHBondContact O-CG 3.3Å; W511-M515 PolarHBondContact O-N 2.88Å; W511-M515 VanDerWaalsContact O-N 3.07Å
512	Q	98.7	Very high	97.5	Very high	3 Å²	3	35 Å²	35	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-66.4	-43.1	177.7	-70.9	-177.9	30.4	0	0	111.7	P61 I62 E177 S508 I509 E514 M515 I516	P61-Q512 HydrophobicContact CB-CB 4.1Å; P61-Q512 HydrophobicContact CG-CB 4.09Å; I62-Q512 HydrophobicContact CB-CB 4.33Å; I62-Q512 HydrophobicContact CB-CG 4.14Å; I62-Q512 HydrophobicContact CD1-CB 4.1Å; I62-Q512 HydrophobicContact CD1-CG 3.99Å; I62-Q512 HydrophobicContact CG1-CB 3.93Å; I62-Q512 HydrophobicContact CG1-CG 4.09Å; E177-Q512 PolarHBondContact OE2-NE2 2.96Å; S508-Q512 WeakPolarHBondContact O-CB 3.46Å; S508-Q512 VanDerWaalsContact O-CG 3.27Å; S508-Q512 WeakPolarHBondContact O-CG 3.26Å; S508-Q512 PolarHBondContact O-N 3.22Å; S508-Q512 PolarHBondContact OG-NE2 2.97Å; S508-Q512 VanDerWaalsContact OG-NE2 3.1Å; I509-Q512 PolarHBondContact O-N 2.94Å; Q512-E514 VanDerWaalsContact C-N 3.31Å; Q512-E514 PolarHBondContact O-N 3.49Å; Q512-M515 PolarHBondContact O-N 2.72Å; Q512-M515 VanDerWaalsContact O-N 3.15Å; Q512-I516 WeakPolarHBondContact O-CG1 3.49Å; Q512-I516 PolarHBondContact O-N 3.16Å; Q512-I516 VanDerWaalsContact O-N 3.1Å
513	N	98	Very high	97.5	Very high	53 Å²	53	39 Å²	39	28%	0.283	20%	0.204	S	C	.	.	H	α-helix	trans	-58.5	-42.6	172.4	-78.2	-25.2	0	0	0	111.6	P61 I509 M515 I516 E517	P61-N513 VanDerWaalsContact CB-OD1 3.32Å; P61-N513 WeakPolarHBondContact CB-OD1 3.4Å; P61-N513 WeakPolarHBondContact CG-OD1 3.34Å; I509-N513 PolarHBondContact O-N 2.99Å; N513-M515 VanDerWaalsContact C-N 3.35Å; N513-M515 PolarHBondContact O-N 3.45Å; N513-I516 PolarHBondContact O-N 2.99Å; N513-I516 VanDerWaalsContact O-N 3.17Å; N513-E517 WeakPolarHBondContact O-CB 3.39Å; N513-E517 VanDerWaalsContact O-CG 3.26Å; N513-E517 WeakPolarHBondContact O-CG 3.31Å; N513-E517 PolarHBondContact O-N 3.46Å
514	E	98	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-55.9	-46.2	172.7	169.5	178.8	169.7	0	0	112.7	V205 T208 K210 Y212 Y251 P510 W511 Q512 I516 T518	V205-E514 WeakPolarHBondContact CB-OE1 3.4Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.42Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.46Å; T208-E514 VanDerWaalsContact CB-OE1 3.27Å; T208-E514 WeakPolarHBondContact CB-OE1 3.33Å; T208-E514 HydrophobicContact CG2-CG 4Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.31Å; T208-E514 PolarHBondContact OG1-OE1 3.44Å; K210-E514 HydrophobicContact CB-CG 3.92Å; K210-E514 HydrophobicContact CD-CB 3.65Å; K210-E514 HydrophobicContact CD-CG 3.53Å; K210-E514 HydrophobicContact CG-CG 4.34Å; Y212-E514 VanDerWaalsContact CE2-OE2 3.3Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.4Å; Y212-E514 PolarHBondContact OH-OE2 3.48Å; Y212-E514 VanDerWaalsContact OH-OE2 3.07Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.3Å; Y251-E514 VanDerWaalsContact OH-CD 3.26Å; Y251-E514 PolarHBondContact OH-OE1 2.97Å; Y251-E514 PolarHBondContact OH-OE2 2.94Å; P510-E514 WeakPolarHBondContact O-CB 3.16Å; P510-E514 PolarHBondContact O-N 3.16Å; W511-E514 WeakPolarHBondContact O-CB 3.29Å; W511-E514 PolarHBondContact O-N 3.11Å; Q512-E514 VanDerWaalsContact C-N 3.31Å; Q512-E514 PolarHBondContact O-N 3.49Å; E514-I516 VanDerWaalsContact C-N 3.26Å; E514-I516 PolarHBondContact O-N 3.09Å; E514-T518 HydrophobicContact CG-CG2 4.49Å; E514-T518 WeakPolarHBondContact O-CB 3.1Å; E514-T518 WeakPolarHBondContact O-CG2 3.48Å; E514-T518 PolarHBondContact O-N 3.15Å; E514-T518 VanDerWaalsContact O-N 3.07Å; E514-T518 PolarHBondContact O-OG1 2.83Å
515	M	98.7	Very high	97.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.015	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-36.2	179.2	-62.3	-56.1	129.2	0	0	111.8	L34 I62 W173 T208 W511 Q512 N513 C520 F521	L34-M515 HydrophobicContact CD1-SD 4Å; I62-M515 HydrophobicContact CD1-CB 4.04Å; I62-M515 HydrophobicContact CD1-CG 4.41Å; W173-M515 HydrophobicContact CE3-CG 4.47Å; W173-M515 HydrophobicContact CZ3-CB 4.1Å; W173-M515 HydrophobicContact CZ3-CG 3.89Å; W173-M515 HydrophobicContact CZ3-SD 4.29Å; T208-M515 HydrophobicContact CG2-CE 3.5Å; T208-M515 VanDerWaalsContact CG2-CE 3.5Å; T208-M515 HydrophobicContact CG2-SD 3.81Å; W511-M515 HydrophobicContact CD2-CE 3.98Å; W511-M515 HydrophobicContact CD2-CG 4.19Å; W511-M515 VanDerWaalsContact CE2-CE 3.42Å; W511-M515 HydrophobicContact CE3-CG 4.01Å; W511-M515 HydrophobicContact CG-CE 4.3Å; W511-M515 HydrophobicContact CH2-CE 4.48Å; W511-M515 HydrophobicContact CH2-CG 3.83Å; W511-M515 HydrophobicContact CH2-SD 4.29Å; W511-M515 HydrophobicContact CZ2-CE 3.71Å; W511-M515 HydrophobicContact CZ2-CG 4Å; W511-M515 HydrophobicContact CZ2-SD 3.98Å; W511-M515 HydrophobicContact CZ3-CG 3.83Å; W511-M515 WeakPolarHBondContact O-CG 3.3Å; W511-M515 PolarHBondContact O-N 2.88Å; W511-M515 VanDerWaalsContact O-N 3.07Å; Q512-M515 PolarHBondContact O-N 2.72Å; Q512-M515 VanDerWaalsContact O-N 3.15Å; N513-M515 VanDerWaalsContact C-N 3.35Å; N513-M515 PolarHBondContact O-N 3.45Å; M515-C520 WeakPolarHBondContact O-CA 3.34Å; M515-C520 WeakPolarHBondContact O-CB 3.46Å; M515-C520 PolarHBondContact O-N 3Å; M515-C520 HydrophobicContact SD-CB 4.19Å; M515-F521 HydrophobicContact CB-CB 4.43Å; M515-F521 PolarHBondContact O-N 3.43Å
516	I	98.3	Very high	97.4	Very high	50 Å²	50	39.8 Å²	39.8	26%	0.256	20%	0.202	S	C	.	.	H	α-helix	trans	-71.6	-56.7	178.7	-65	161.7	0	0	0	110.5	P61 I62 L65 Q512 N513 E514 T518 E519 F521	P61-I516 HydrophobicContact CB-CD1 3.51Å; I62-I516 HydrophobicContact CG1-CD1 4.07Å; I62-I516 HydrophobicContact CG1-CG1 4.16Å; L65-I516 HydrophobicContact CD1-CD1 3.52Å; L65-I516 HydrophobicContact CD1-CG1 3.8Å; L65-I516 HydrophobicContact CD1-CG2 4.45Å; Q512-I516 WeakPolarHBondContact O-CG1 3.49Å; Q512-I516 PolarHBondContact O-N 3.16Å; Q512-I516 VanDerWaalsContact O-N 3.1Å; N513-I516 PolarHBondContact O-N 2.99Å; N513-I516 VanDerWaalsContact O-N 3.17Å; E514-I516 VanDerWaalsContact C-N 3.26Å; E514-I516 PolarHBondContact O-N 3.09Å; I516-T518 PolarHBondContact O-N 3.48Å; I516-E519 WeakPolarHBondContact O-CA 3.46Å; I516-E519 PolarHBondContact O-N 3.22Å; I516-F521 HydrophobicContact CG1-CB 4.07Å; I516-F521 HydrophobicContact CG1-CD1 4.5Å; I516-F521 HydrophobicContact CG1-CG 4.26Å
517	E	95.6	Very high	97.1	Very high	116 Å²	116	40.6 Å²	40.6	54%	0.542	20%	0.203	S	C	.	.	H	α-helix	trans	-59.7	-32.6	-176.9	-69.4	166.2	-141.9	0	0	113.1	K210 N513 E519	K210-E517 VanDerWaalsContact CE-OE2 3.26Å; K210-E517 WeakPolarHBondContact CE-OE2 3.12Å; K210-E517 IonicContact NZ-OE1 2.85Å; K210-E517 PolarHBondContact NZ-OE1 3Å; K210-E517 VanDerWaalsContact NZ-OE1 3.08Å; K210-E517 IonicContact NZ-OE2 3.77Å; K210-E517 PolarHBondContact NZ-OE2 3.41Å; N513-E517 WeakPolarHBondContact O-CB 3.39Å; N513-E517 VanDerWaalsContact O-CG 3.26Å; N513-E517 WeakPolarHBondContact O-CG 3.31Å; N513-E517 PolarHBondContact O-N 3.46Å; E517-E519 PolarHBondContact O-N 2.92Å
518	T	95.8	Very high	96.7	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.8	177.6	62.2	0	0	0	0	113.3	K26 K210 E514 I516 C520	K26-T518 WeakPolarHBondContact CE-O 3.39Å; K26-T518 PolarHBondContact NZ-O 3.32Å; K210-T518 HydrophobicContact CB-CG2 3.87Å; K210-T518 HydrophobicContact CD-CG2 4.47Å; E514-T518 HydrophobicContact CG-CG2 4.49Å; E514-T518 WeakPolarHBondContact O-CB 3.1Å; E514-T518 WeakPolarHBondContact O-CG2 3.48Å; E514-T518 PolarHBondContact O-N 3.15Å; E514-T518 VanDerWaalsContact O-N 3.07Å; E514-T518 PolarHBondContact O-OG1 2.83Å; I516-T518 PolarHBondContact O-N 3.48Å; T518-C520 PolarHBondContact O-N 3.05Å; T518-C520 PolarHBondContact OG1-SG 3.34Å
519	E	97	Very high	96.2	Very high	78 Å²	78	44.1 Å²	44.1	36%	0.364	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	9.3	-177.7	-55.7	-67.8	159.8	0	0	113.9	I516 E517 F521 K522 E523	I516-E519 WeakPolarHBondContact O-CA 3.46Å; I516-E519 PolarHBondContact O-N 3.22Å; E517-E519 PolarHBondContact O-N 2.92Å; E519-F521 VanDerWaalsContact C-N 3.3Å; E519-F521 PolarHBondContact O-N 3.44Å; E519-K522 PolarHBondContact O-N 3.11Å; E519-K522 WeakPolarHBondContact OE2-CD 3.26Å; E519-E523 WeakPolarHBondContact O-CB 3.23Å; E519-E523 VanDerWaalsContact O-CG 3.3Å; E519-E523 WeakPolarHBondContact O-CG 3.43Å; E519-E523 PolarHBondContact O-N 3.49Å
520	C	97.8	Very high	95.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-39.4	177	-64.7	0	0	0	0	110.9	K26 W30 L34 M515 T518 L524	K26-C520 PolarHBondContact NZ-SG 3.27Å; W30-C520 HydrophobicContact CZ3-CB 4.23Å; L34-C520 HydrophobicContact CD1-CB 4.34Å; M515-C520 WeakPolarHBondContact O-CA 3.34Å; M515-C520 WeakPolarHBondContact O-CB 3.46Å; M515-C520 PolarHBondContact O-N 3Å; M515-C520 HydrophobicContact SD-CB 4.19Å; T518-C520 PolarHBondContact O-N 3.05Å; T518-C520 PolarHBondContact OG1-SG 3.34Å; C520-L524 VanDerWaalsContact O-CB 3.27Å; C520-L524 WeakPolarHBondContact O-CB 3.44Å; C520-L524 WeakPolarHBondContact O-CG 3.37Å; C520-L524 PolarHBondContact O-N 3.19Å
521	F	98.3	Very high	94.5	Very high	14 Å²	14	51.8 Å²	51.8	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-56.2	174.1	178.3	-100.9	0	0	0	110.7	I62 L65 L66 W173 M515 I516 E519 E523 L524 N525	I62-F521 HydrophobicContact CB-CE2 4.4Å; I62-F521 HydrophobicContact CD1-CD2 3.88Å; I62-F521 HydrophobicContact CG1-CD2 3.79Å; I62-F521 HydrophobicContact CG1-CE2 4.12Å; I62-F521 HydrophobicContact CG1-CG 4.46Å; I62-F521 HydrophobicContact CG2-CD2 4.19Å; I62-F521 HydrophobicContact CG2-CE2 3.77Å; L65-F521 HydrophobicContact CB-CE1 4.18Å; L65-F521 HydrophobicContact CB-CZ 4.09Å; L65-F521 HydrophobicContact CD1-CD1 3.98Å; L65-F521 HydrophobicContact CD1-CE1 3.72Å; L65-F521 HydrophobicContact CD1-CZ 4.26Å; L66-F521 HydrophobicContact CD2-CZ 4.38Å; L66-F521 HydrophobicContact CG-CE2 4.41Å; L66-F521 HydrophobicContact CG-CZ 4.33Å; W173-F521 HydrophobicContact CD2-CD2 4.32Å; W173-F521 AromaticContact CE2-CD2 3.54Å; W173-F521 AromaticContact CE2-CE2 3.94Å; W173-F521 HydrophobicContact CH2-CB 4.33Å; W173-F521 HydrophobicContact CH2-CD2 4.27Å; W173-F521 HydrophobicContact CZ2-CB 4.26Å; W173-F521 AromaticContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CD2 3.53Å; W173-F521 HydrophobicContact CZ2-CE2 4.29Å; W173-F521 HydrophobicContact CZ2-CG 4.27Å; W173-F521 AromaticContact NE1-CD2 3.67Å; W173-F521 AromaticContact NE1-CE2 3.55Å; M515-F521 HydrophobicContact CB-CB 4.43Å; M515-F521 PolarHBondContact O-N 3.43Å; I516-F521 HydrophobicContact CG1-CB 4.07Å; I516-F521 HydrophobicContact CG1-CD1 4.5Å; I516-F521 HydrophobicContact CG1-CG 4.26Å; E519-F521 VanDerWaalsContact C-N 3.3Å; E519-F521 PolarHBondContact O-N 3.44Å; F521-E523 VanDerWaalsContact C-N 3.32Å; F521-E523 PolarHBondContact O-N 3.48Å; F521-L524 PolarHBondContact O-N 3.25Å; F521-N525 HydrophobicContact CD2-CB 4.06Å; F521-N525 HydrophobicContact CE1-CB 4.33Å; F521-N525 HydrophobicContact CE2-CB 3.85Å; F521-N525 HydrophobicContact CG-CB 4.38Å; F521-N525 HydrophobicContact CZ-CB 4.01Å; F521-N525 VanDerWaalsContact CZ-ND2 3.25Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.34Å; F521-N525 WeakPolarHBondContact O-CA 3.47Å; F521-N525 WeakPolarHBondContact O-CB 3.35Å; F521-N525 PolarHBondContact O-N 3.05Å
522	K	96.9	Very high	94	Very high	155 Å²	155	54.9 Å²	54.9	67%	0.674	30%	0.3	S	S	*	.	H	α-helix	trans	-59	-40.9	-179.1	-172.9	179.3	-175.7	172.9	0	113	E519	E519-K522 PolarHBondContact O-N 3.11Å; E519-K522 WeakPolarHBondContact OE2-CD 3.26Å
523	E	96.2	Very high	93.7	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	32%	0.32	S	S	.	.	H	α-helix	trans	-76.1	-26.8	-177.9	-73.2	-172.7	-112.4	0	0	114.3	K26 W30 E519 F521	K26-E523 IonicContact NZ-OE1 3.67Å; K26-E523 PolarHBondContact NZ-OE1 2.92Å; W30-E523 HydrophobicContact CH2-CB 3.83Å; W30-E523 HydrophobicContact CZ2-CB 4.43Å; W30-E523 VanDerWaalsContact CZ2-OE2 3.23Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.39Å; E519-E523 WeakPolarHBondContact O-CB 3.23Å; E519-E523 VanDerWaalsContact O-CG 3.3Å; E519-E523 WeakPolarHBondContact O-CG 3.43Å; E519-E523 PolarHBondContact O-N 3.49Å; F521-E523 VanDerWaalsContact C-N 3.32Å; F521-E523 PolarHBondContact O-N 3.48Å
524	L	96.8	Very high	93.4	Very high	27 Å²	27	56.5 Å²	56.5	14%	0.141	31%	0.309	C	S	.	.	H	α-helix	trans	-101.4	-31.2	-178.4	-66	177.6	0	0	0	113	W30 K31 L34 F36 W173 C520 F521 V526	W30-L524 HydrophobicContact CE3-CD1 4.5Å; W30-L524 HydrophobicContact CH2-CD1 4.49Å; W30-L524 HydrophobicContact CH2-CD2 4.03Å; W30-L524 HydrophobicContact CH2-CG 3.99Å; W30-L524 HydrophobicContact CZ3-CD1 3.69Å; W30-L524 HydrophobicContact CZ3-CD2 3.89Å; W30-L524 HydrophobicContact CZ3-CG 3.68Å; K31-L524 HydrophobicContact CG-CD2 4.23Å; L34-L524 HydrophobicContact CB-CD1 3.67Å; L34-L524 HydrophobicContact CD1-CD1 4.28Å; F36-L524 HydrophobicContact CE2-CB 4.28Å; F36-L524 WeakPolarHBondContact CE2-O 3.3Å; F36-L524 HydrophobicContact CZ-CB 4.31Å; W173-L524 HydrophobicContact CH2-CB 4.15Å; W173-L524 HydrophobicContact CH2-CD1 4.15Å; W173-L524 HydrophobicContact CZ2-CB 4.14Å; C520-L524 VanDerWaalsContact O-CB 3.27Å; C520-L524 WeakPolarHBondContact O-CB 3.44Å; C520-L524 WeakPolarHBondContact O-CG 3.37Å; C520-L524 PolarHBondContact O-N 3.19Å; F521-L524 PolarHBondContact O-N 3.25Å; L524-V526 PolarHBondContact O-N 3.36Å
525	N	96.6	Very high	93.1	Very high	14 Å²	14	61.4 Å²	61.4	8%	0.075	34%	0.341	C	S	.	.			trans	-76.1	66	-176.7	-170.1	50.9	0	0	0	111.7	Q69 R169 W173 F521	Q69-N525 PolarHBondContact OE1-ND2 2.61Å; R169-N525 VanDerWaalsContact CD-OD1 3.31Å; R169-N525 WeakPolarHBondContact CD-OD1 3.48Å; R169-N525 WeakPolarHBondContact CG-OD1 3.15Å; R169-N525 PolarHBondContact NH1-OD1 3.1Å; W173-N525 HydrophobicContact CZ2-CB 4.21Å; F521-N525 HydrophobicContact CD2-CB 4.06Å; F521-N525 HydrophobicContact CE1-CB 4.33Å; F521-N525 HydrophobicContact CE2-CB 3.85Å; F521-N525 HydrophobicContact CG-CB 4.38Å; F521-N525 HydrophobicContact CZ-CB 4.01Å; F521-N525 VanDerWaalsContact CZ-ND2 3.25Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.34Å; F521-N525 WeakPolarHBondContact O-CA 3.47Å; F521-N525 WeakPolarHBondContact O-CB 3.35Å; F521-N525 PolarHBondContact O-N 3.05Å
526	V	94.3	Very high	92.9	Very high	88 Å²	88	63.2 Å²	63.2	53%	0.533	35%	0.351	S	S	.	.			trans	-111.5	137.6	-179.3	-175.8	0	0	0	0	109	R169 L524	R169-V526 PolarHBondContact NH1-O 2.97Å; R169-V526 PolarHBondContact NH2-O 3.25Å; L524-V526 PolarHBondContact O-N 3.36Å
527	F	93.4	Very high	92.7	Very high	38 Å²	38	60.9 Å²	60.9	17%	0.167	34%	0.339	C	S	.	.			trans	-102.6	174.6	173.9	-64.8	-83.4	0	0	0	110.1	L66 M165 Y166 R169 L537	L66-F527 HydrophobicContact CD2-CZ 4.41Å; M165-F527 HydrophobicContact CE-CB 4.22Å; M165-F527 HydrophobicContact CE-CD1 3.44Å; M165-F527 VanDerWaalsContact CE-CD1 3.44Å; M165-F527 HydrophobicContact CE-CD2 4.39Å; M165-F527 HydrophobicContact CE-CE1 3.8Å; M165-F527 HydrophobicContact CE-CG 3.77Å; M165-F527 HydrophobicContact CE-CZ 4.42Å; M165-F527 HydrophobicContact CG-CD1 4.47Å; M165-F527 HydrophobicContact CG-CE1 4.18Å; M165-F527 HydrophobicContact SD-CD1 3.89Å; M165-F527 HydrophobicContact SD-CE1 4.2Å; Y166-F527 HydrophobicContact CD1-CE2 4.14Å; Y166-F527 AromaticContact CD1-CZ 3.79Å; Y166-F527 HydrophobicContact CD1-CZ 3.79Å; Y166-F527 AromaticContact CE1-CE2 3.95Å; Y166-F527 HydrophobicContact CE1-CE2 3.95Å; Y166-F527 AromaticContact CE1-CZ 3.98Å; Y166-F527 HydrophobicContact CE1-CZ 3.98Å; R169-F527 HydrophobicContact CB-CE1 3.98Å; R169-F527 HydrophobicContact CB-CZ 3.96Å; R169-F527 HydrophobicContact CG-CE1 4.24Å; R169-F527 HydrophobicContact CG-CZ 3.91Å; F527-L537 HydrophobicContact CD1-CD1 3.92Å; F527-L537 HydrophobicContact CE1-CD1 3.86Å
528	G	89.8	Confident	92.6	Very high	13 Å²	13	57.1 Å²	57.1	13%	0.134	32%	0.322	C	S	.	.			trans	-63.7	167.5	173.6	0	0	0	0	0	112.3	G531 T532	G528-G531 PolarHBondContact O-N 3.24Å; G528-T532 VanDerWaalsContact CA-O 3.3Å; G528-T532 WeakPolarHBondContact CA-O 3.46Å; G528-T532 WeakPolarHBondContact CA-OG1 3.4Å; G528-T532 PolarHBondContact N-O 3.39Å
529	P	86.5	Confident	92.3	Very high	100 Å²	100	61.9 Å²	61.9	65%	0.649	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-50.9	143.7	175	-24.2	33.8	0	0	0	111.6	G531 T532	P529-G531 PolarHBondContact O-N 3.25Å; P529-G531 VanDerWaalsContact O-N 3.1Å; P529-T532 WeakPolarHBondContact O-CB 3.46Å; P529-T532 VanDerWaalsContact O-CG2 3.31Å; P529-T532 WeakPolarHBondContact O-CG2 3.46Å; P529-T532 PolarHBondContact O-N 2.9Å; P529-T532 VanDerWaalsContact O-N 3.08Å; P529-T532 PolarHBondContact O-OG1 3.12Å
530	D	81.1	Confident	91.8	Very high	170 Å²	170	64.7 Å²	64.7	91%	0.909	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	54.4	29.4	177.2	-50	-43.8	0	0	0	114.7
531	G	78.3	Confident	91.1	Very high	47 Å²	47	70.7 Å²	70.7	49%	0.485	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	79.3	17.8	178.7	0	0	0	0	0	114.5	M165 G528 P529	M165-G531 VanDerWaalsContact CE-O 3.29Å; M165-G531 WeakPolarHBondContact CE-O 3.38Å; G528-G531 PolarHBondContact O-N 3.24Å; P529-G531 PolarHBondContact O-N 3.25Å; P529-G531 VanDerWaalsContact O-N 3.1Å
532	T	88.5	Confident	90	Very high	76 Å²	76	74.5 Å²	74.5	47%	0.466	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-79.5	172.5	176.7	58.9	0	0	0	0	113.1	G528 P529	G528-T532 VanDerWaalsContact CA-O 3.3Å; G528-T532 WeakPolarHBondContact CA-O 3.46Å; G528-T532 WeakPolarHBondContact CA-OG1 3.4Å; G528-T532 PolarHBondContact N-O 3.39Å; P529-T532 WeakPolarHBondContact O-CB 3.46Å; P529-T532 VanDerWaalsContact O-CG2 3.31Å; P529-T532 WeakPolarHBondContact O-CG2 3.46Å; P529-T532 PolarHBondContact O-N 2.9Å; P529-T532 VanDerWaalsContact O-N 3.08Å; P529-T532 PolarHBondContact O-OG1 3.12Å
533	L	90.9	Very high	88.9	Confident	82 Å²	82	70.6 Å²	70.6	43%	0.429	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-66.6	133.4	177.3	-64.5	174.8	0	0	0	111.8	M165 L537	M165-L533 HydrophobicContact CB-CD2 3.62Å; M165-L533 HydrophobicContact CG-CD2 4.41Å; M165-L533 HydrophobicContact SD-CD2 3.92Å; L533-L537 HydrophobicContact CB-CB 4.45Å; L533-L537 HydrophobicContact CD2-CB 4.08Å
534	S	92.8	Very high	87.5	Confident	7 Å²	7	74.5 Å²	74.5	5%	0.049	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-72.3	159	166.5	64.9	0	0	0	0	110.8	R169 D536 L537 N538	R169-S534 PolarHBondContact NH2-OG 3.06Å; S534-D536 WeakPolarHBondContact CB-OD1 3.43Å; S534-D536 PolarHBondContact O-N 2.67Å; S534-D536 PolarHBondContact OG-OD1 3.38Å; S534-D536 PolarHBondContact OG-OD2 3.01Å; S534-L537 PolarHBondContact O-N 3.31Å; S534-N538 PolarHBondContact O-N 3.18Å; S534-N538 VanDerWaalsContact O-N 3.17Å
535	P	91.7	Very high	85.7	Confident	103 Å²	103	78.5 Å²	78.5	67%	0.669	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-34.8	-178.9	-28	35.8	0	0	0	114.4	L537 N538	P535-L537 VanDerWaalsContact C-N 3.28Å; P535-L537 PolarHBondContact O-N 3.43Å; P535-N538 PolarHBondContact O-N 3.46Å
536	D	93.7	Very high	83.9	Confident	41 Å²	41	83.5 Å²	83.5	22%	0.219	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.1	177.6	55.3	-85.9	0	0	0	114.1	H38 I39 R169 Q172 S534	H38-D536 WeakPolarHBondContact CA-O 3.28Å; I39-D536 PolarHBondContact N-O 2.96Å; R169-D536 IonicContact NH2-OD2 3.6Å; R169-D536 PolarHBondContact NH2-OD2 3.17Å; Q172-D536 PolarHBondContact NE2-O 3.22Å; Q172-D536 PolarHBondContact NE2-OD2 3.25Å; Q172-D536 PolarHBondContact OE1-OD2 3.13Å; S534-D536 WeakPolarHBondContact CB-OD1 3.43Å; S534-D536 PolarHBondContact O-N 2.67Å; S534-D536 PolarHBondContact OG-OD1 3.38Å; S534-D536 PolarHBondContact OG-OD2 3.01Å
537	L	95.2	Very high	82	Confident	2 Å²	2	88.1 Å²	88.1	1%	0.01	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-13.1	175.2	-69.7	174	0	0	0	112.9	I39 D168 Q172 F527 L533 S534 P535 R539	I39-L537 HydrophobicContact CB-CD2 4.48Å; I39-L537 HydrophobicContact CD1-CD2 4.31Å; D168-L537 HydrophobicContact CB-CD2 3.74Å; Q172-L537 HydrophobicContact CG-CD2 4.46Å; Q172-L537 VanDerWaalsContact OE1-CD2 3.26Å; F527-L537 HydrophobicContact CD1-CD1 3.92Å; F527-L537 HydrophobicContact CE1-CD1 3.86Å; L533-L537 HydrophobicContact CB-CB 4.45Å; L533-L537 HydrophobicContact CD2-CB 4.08Å; S534-L537 PolarHBondContact O-N 3.31Å; P535-L537 VanDerWaalsContact C-N 3.28Å; P535-L537 PolarHBondContact O-N 3.43Å; L537-R539 PolarHBondContact O-N 2.78Å; L537-R539 VanDerWaalsContact O-N 3.16Å
538	N	92.1	Very high	79.9	Confident	36 Å²	36	92.7 Å²	92.7	19%	0.193	51%	0.512	C	S	.	.			trans	-82.7	99.3	-175	-169.8	-22.5	0	0	0	111.7	H38 S534 P535 N540 H541	H38-N538 PolarHBondContact NE2-O 3.16Å; H38-N538 VanDerWaalsContact NE2-O 3.14Å; S534-N538 PolarHBondContact O-N 3.18Å; S534-N538 VanDerWaalsContact O-N 3.17Å; P535-N538 PolarHBondContact O-N 3.46Å; N538-N540 PolarHBondContact O-N 2.79Å; N538-N540 WeakPolarHBondContact OD1-CB 3.25Å; N538-N540 PolarHBondContact OD1-N 2.87Å; N538-H541 HydrophobicContact CB-CB 4.48Å; N538-H541 VanDerWaalsContact CG-ND1 3.3Å; N538-H541 PolarHBondContact ND2-ND1 3.04Å; N538-H541 PolarHBondContact O-N 2.63Å
539	R	89.8	Confident	78.1	Confident	123 Å²	123	94.1 Å²	94.1	46%	0.464	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-26.6	178.8	-67.1	177.9	177	-101.3	-6.4	114.6	I39 E43 L537 H541	I39-R539 HydrophobicContact CG2-CG 3.71Å; E43-R539 IonicContact OE1-CZ 2.72Å; E43-R539 IonicContact OE1-NH1 3.1Å; E43-R539 PolarHBondContact OE1-NH1 3.17Å; E43-R539 IonicContact OE1-NH2 2.64Å; E43-R539 PolarHBondContact OE1-NH2 3.11Å; L537-R539 PolarHBondContact O-N 2.78Å; L537-R539 VanDerWaalsContact O-N 3.16Å; R539-H541 VanDerWaalsContact C-N 3.29Å
540	N	88.1	Confident	76.4	Confident	138 Å²	138	95.7 Å²	95.7	74%	0.738	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.3	-179.4	-61.7	-30.1	0	0	0	113.2	N538 P542	N538-N540 PolarHBondContact O-N 2.79Å; N538-N540 WeakPolarHBondContact OD1-CB 3.25Å; N538-N540 PolarHBondContact OD1-N 2.87Å; N540-P542 VanDerWaalsContact C-CD 3.49Å; N540-P542 WeakPolarHBondContact O-CD 3.42Å
541	H	82.9	Confident	74.6	Confident	125 Å²	125	93.5 Å²	93.5	58%	0.579	52%	0.517	S	S	*	.	S	Bend	trans	-119.5	73.3	179.8	-66.4	113.9	0	0	0	110.7	H38 N538 R539	H38-H541 PolarHBondContact NE2-O 2.99Å; N538-H541 HydrophobicContact CB-CB 4.48Å; N538-H541 VanDerWaalsContact CG-ND1 3.3Å; N538-H541 PolarHBondContact ND2-ND1 3.04Å; N538-H541 PolarHBondContact O-N 2.63Å; R539-H541 VanDerWaalsContact C-N 3.29Å
542	P	74.3	Confident	73.3	Confident	94 Å²	94	97 Å²	97	61%	0.61	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-60.3	153.5	-179	26.3	-34.6	0	0	0	111.7	N540 E544	N540-P542 VanDerWaalsContact C-CD 3.49Å; N540-P542 WeakPolarHBondContact O-CD 3.42Å; P542-E544 PolarHBondContact O-N 3.3Å
543	P	73.9	Confident	71.4	Confident	74 Å²	74	101.1 Å²	101.1	48%	0.481	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-61.8	139.6	-173.4	22.9	-31	0	0	0	111.5	H38	H38-P543 HydrophobicContact CB-CB 4.32Å; H38-P543 HydrophobicContact CB-CG 3.91Å
544	E	66.1	Low	69.6	Low	166 Å²	166	101.4 Å²	101.4	78%	0.776	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-55.7	136.8	172.7	-71.8	-171.5	166.6	0	0	110.3	P542	P542-E544 PolarHBondContact O-N 3.3Å
545	P	59.5	Low	67.6	Low	112 Å²	112	107.1 Å²	107.1	73%	0.727	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-57.8	142.5	177.6	22.3	-31.3	0	0	0	110.1	K547	P545-K547 PolarHBondContact O-N 3.41Å
546	P	58.5	Low	65.6	Low	119 Å²	119	109.1 Å²	109.1	77%	0.773	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-53.6	131.3	-175.5	18.4	-29.9	0	0	0	110.5	K548	P546-K548 PolarHBondContact O-N 2.95Å
547	K	54.9	Low	63.2	Low	184 Å²	184	116.5 Å²	116.5	80%	0.8	58%	0.575	S	S	*	*			trans	-55.3	109.8	179.3	-74.7	-175.5	179	177.1	0	108.8	P545 G549	P545-K547 PolarHBondContact O-N 3.41Å; K547-G549 PolarHBondContact O-N 3.42Å
548	K	49.9	Very low	61	Low	134 Å²	134	122.3 Å²	122.3	58%	0.583	60%	0.603	S	S	*	*			trans	-51.6	122.7	177	-66.2	-174.4	179.4	-179	0	109.3	P546 Q552	P546-K548 PolarHBondContact O-N 2.95Å; K548-Q552 HydrophobicContact CB-CB 4.3Å
549	G	52.3	Low	58.5	Low	44 Å²	44	128 Å²	128	45%	0.454	63%	0.628	S	S	.	*			trans	-57.8	157.3	-178	0	0	0	0	0	112.5	K547 L551 Q552 R553	K547-G549 PolarHBondContact O-N 3.42Å; G549-L551 PolarHBondContact O-N 3.44Å; G549-L551 VanDerWaalsContact O-N 3.07Å; G549-Q552 PolarHBondContact O-N 3.34Å; G549-R553 PolarHBondContact O-N 3.4Å
550	L	49.3	Very low	56.4	Low	133 Å²	133	129 Å²	129	70%	0.696	64%	0.638	S	S	*	*	H	α-helix	trans	-50.8	-37.3	-176.7	-150	86.2	0	0	0	112.5	Q552 R553 I554	L550-Q552 PolarHBondContact O-N 3.06Å; L550-R553 PolarHBondContact O-N 3.46Å; L550-I554 HydrophobicContact CD2-CD1 4.43Å; L550-I554 WeakPolarHBondContact O-CG1 3.33Å; L550-I554 PolarHBondContact O-N 3Å; L550-I554 VanDerWaalsContact O-N 3.08Å
551	L	44.5	Very low	54.1	Low	124 Å²	124	129 Å²	129	65%	0.649	64%	0.637	S	S	*	*	H	α-helix	trans	-60.8	-43.8	177.4	-72.1	164	0	0	0	112.5	G549 R553 I554 F555	G549-L551 PolarHBondContact O-N 3.44Å; G549-L551 VanDerWaalsContact O-N 3.07Å; L551-R553 VanDerWaalsContact C-N 3.3Å; L551-R553 PolarHBondContact O-N 3.01Å; L551-I554 PolarHBondContact O-N 3.29Å; L551-I554 VanDerWaalsContact O-N 3.15Å; L551-F555 HydrophobicContact CB-CE2 4.49Å; L551-F555 HydrophobicContact CD2-CE2 4.48Å; L551-F555 WeakPolarHBondContact O-CD2 3.47Å; L551-F555 PolarHBondContact O-N 3.05Å
552	Q	50.8	Low	52	Low	119 Å²	119	129.8 Å²	129.8	56%	0.556	65%	0.646	S	S	*	*	H	α-helix	trans	-68	-28.1	177.1	-79.4	-178.1	-9.5	0	0	112.9	K548 G549 L550 K556	K548-Q552 HydrophobicContact CB-CB 4.3Å; G549-Q552 PolarHBondContact O-N 3.34Å; L550-Q552 PolarHBondContact O-N 3.06Å; Q552-K556 PolarHBondContact O-N 3.01Å
553	R	48.9	Very low	50.2	Low	164 Å²	164	129.8 Å²	129.8	62%	0.619	65%	0.648	S	S	*	*	H	α-helix	trans	-71.1	-34.1	171.8	-75.5	-177.5	-175.8	166.3	0.1	112.2	G549 L550 L551 R557	G549-R553 PolarHBondContact O-N 3.4Å; L550-R553 PolarHBondContact O-N 3.46Å; L551-R553 VanDerWaalsContact C-N 3.3Å; L551-R553 PolarHBondContact O-N 3.01Å; R553-R557 PolarHBondContact O-N 3.05Å
554	I	52.3	Low	48.4	Very low	88 Å²	88	135.7 Å²	135.7	45%	0.451	67%	0.666	S	S	.	*	H	α-helix	trans	-71.5	-45.3	177.5	-65.9	165.6	0	0	0	110.6	L550 L551 K556 R557 Q558	L550-I554 HydrophobicContact CD2-CD1 4.43Å; L550-I554 WeakPolarHBondContact O-CG1 3.33Å; L550-I554 PolarHBondContact O-N 3Å; L550-I554 VanDerWaalsContact O-N 3.08Å; L551-I554 PolarHBondContact O-N 3.29Å; L551-I554 VanDerWaalsContact O-N 3.15Å; I554-K556 VanDerWaalsContact C-N 3.34Å; I554-K556 PolarHBondContact O-N 3.42Å; I554-R557 PolarHBondContact O-N 3.36Å; I554-R557 VanDerWaalsContact O-N 3.13Å; I554-Q558 PolarHBondContact O-N 3.1Å
555	F	51	Low	46.7	Very low	127 Å²	127	133.3 Å²	133.3	56%	0.557	67%	0.668	S	S	*	*	H	α-helix	trans	-66.2	-31.9	178.7	-75.4	-69.2	0	0	0	113.5	L551 R557 H559	L551-F555 HydrophobicContact CB-CE2 4.49Å; L551-F555 HydrophobicContact CD2-CE2 4.48Å; L551-F555 WeakPolarHBondContact O-CD2 3.47Å; L551-F555 PolarHBondContact O-N 3.05Å; F555-R557 VanDerWaalsContact C-N 3.34Å; F555-H559 PolarHBondContact O-N 3.2Å
556	K	48.8	Very low	45.3	Very low	144 Å²	144	133.4 Å²	133.4	63%	0.626	67%	0.671	S	S	*	*	H	α-helix	trans	-70.4	-30.5	173.2	-125.1	-172.2	-177.8	-164.2	0	113	Q552 I554 H559 Q560	Q552-K556 PolarHBondContact O-N 3.01Å; I554-K556 VanDerWaalsContact C-N 3.34Å; I554-K556 PolarHBondContact O-N 3.42Å; K556-H559 PolarHBondContact O-N 2.96Å; K556-Q560 PolarHBondContact O-N 2.84Å
557	R	45.1	Very low	44.8	Very low	197 Å²	197	133.3 Å²	133.3	74%	0.743	67%	0.67	S	S	*	*	H	α-helix	trans	-72.9	-31.7	178.1	-132.1	177	178.5	-176.3	-1.8	112	R553 I554 F555	R553-R557 PolarHBondContact O-N 3.05Å; I554-R557 PolarHBondContact O-N 3.36Å; I554-R557 VanDerWaalsContact O-N 3.13Å; F555-R557 VanDerWaalsContact C-N 3.34Å
558	Q	47.1	Very low	43.5	Very low	124 Å²	124	129.7 Å²	129.7	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-70.2	-36.2	171.5	-86.4	-178.9	-23.6	0	0	112.6	I554 Q560 N561	I554-Q558 PolarHBondContact O-N 3.1Å; Q558-Q560 PolarHBondContact O-N 3.3Å; Q558-N561 PolarHBondContact O-N 3.18Å
559	H	41.2	Very low	42.4	Very low	155 Å²	155	128 Å²	128	72%	0.718	67%	0.674	S	S	*	*	H	α-helix	trans	-71.5	-26.1	178.2	-103	-47.3	0	0	0	114.7	F555 K556	F555-H559 PolarHBondContact O-N 3.2Å; K556-H559 PolarHBondContact O-N 2.96Å
560	Q	44.6	Very low	41.3	Very low	145 Å²	145	135.2 Å²	135.2	68%	0.678	69%	0.693	S	S	*	*	H	α-helix	trans	-80.8	-18.9	175.4	-80.8	-176.3	-19.2	0	0	113.9	K556 Q558 S563	K556-Q560 PolarHBondContact O-N 2.84Å; Q558-Q560 PolarHBondContact O-N 3.3Å; Q560-S563 PolarHBondContact O-OG 3.22Å
561	N	39.5	Very low	40.3	Very low	137 Å²	137	135.4 Å²	135.4	73%	0.733	70%	0.699	S	S	*	*	H	α-helix	trans	-85.8	-13.4	177.4	-83.9	1.3	0	0	0	113.8	Q558	Q558-N561 PolarHBondContact O-N 3.18Å
562	N	39.2	Very low	39.6	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	70%	0.704	S	S	*	*	S	Bend	trans	-94.7	4.1	179.4	-85.1	5.3	0	0	0	114.6
563	S	36.4	Very low	38.6	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	72%	0.72	S	S	*	*	S	Bend	trans	-104.8	18.3	-177	60.7	0	0	0	0	115.2	Q560	Q560-S563 PolarHBondContact O-OG 3.22Å
564	K	36.3	Very low	37.7	Very low	199 Å²	199	139.3 Å²	139.3	87%	0.865	73%	0.728	S	S	*	*			trans	-118.9	73.8	171.8	-75.8	-171.7	176.8	-177.8	0	112.1
565	S	30.9	Very low	36.7	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	75%	0.745	S	S	*	*			trans	-164.7	113.1	151.9	56.2	0	0	0	0	110.3
566	S	29.9	Very low	35.7	Very low	114 Å²	114	145 Å²	145	80%	0.797	75%	0.753	S	S	*	*			trans	-124.1	171.1	157	52.7	0	0	0	0	106.6
567	P	49	Very low	34.9	Very low	116 Å²	116	144.4 Å²	144.4	75%	0.753	76%	0.756	S	S	*	*			cis	-137.8	171.2	2.6	37.5	-18.8	0	0	0	114.9
568	S	25.7	Very low	34.1	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	76%	0.758	S	S	*	*				162	125.6	125.9	63.8	0	0	0	0	116.3
569	S	28.1	Very low	33.3	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	77%	0.768	S	S	*	*			trans	62.3	124.3	139.3	65.2	0	0	0	0	125.5
570	K	29.3	Very low	32.8	Very low	195 Å²	195	141.4 Å²	141.4	85%	0.848	77%	0.773	S	S	*	*			trans	66.1	141.1	140.1	-67.6	179.4	180	179.8	0	117
571	T	27.9	Very low	32.3	Very low	136 Å²	136	142.6 Å²	142.6	83%	0.834	78%	0.778	S	S	*	*			cis	-170.6	164.8	30.1	-4.9	0	0	0	0	110.8
572	N	29.9	Very low	32.1	Very low	139 Å²	139	141.5 Å²	141.5	74%	0.743	78%	0.776	S	S	*	*			trans	-47.8	154.5	175.3	-71	-23.6	0	0	0	117.8
573	F	29.1	Very low	31.7	Very low	206 Å²	206	139.4 Å²	139.4	90%	0.904	77%	0.772	S	S	*	*				175.6	146.4	108.5	-105.3	-82.9	0	0	0	114.1
574	N	30.6	Very low	31.6	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	77%	0.774	S	S	*	*			trans	-76.6	153.6	175.2	-84.3	-27.7	0	0	0	113.7
575	H	30.5	Very low	31.6	Very low	175 Å²	175	137.7 Å²	137.7	81%	0.81	77%	0.773	S	S	*	*				-175.8	122.9	125.5	-104.6	-67	0	0	0	114.2
576	H	30.1	Very low	31.8	Very low	160 Å²	160	136.7 Å²	136.7	74%	0.741	77%	0.766	S	S	*	*			trans	4.5	154.5	133.5	-79.5	-53.2	0	0	0	120.3
577	I	32.9	Very low	32.1	Very low	131 Å²	131	137.9 Å²	137.9	67%	0.672	77%	0.768	S	S	*	*			cis	-173.4	157.1	26.7	-119.6	159.8	0	0	0	111.9
578	N	28.8	Very low	31.3	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	77%	0.768	S	S	*	*			trans	61.3	132	150.9	-74.1	-6.6	0	0	0	126.1
579	S	29.2	Very low	32.4	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	77%	0.772	S	S	*	*			trans	-150.5	121.3	132.5	60.1	0	0	0	0	110.8
580	N	31	Very low	33.2	Very low	152 Å²	152	141 Å²	141	81%	0.813	80%	0.804	S	S	*	*			trans	-148.6	123.3	167.5	-112.1	-2.6	0	0	0	109.9
581	H	33.6	Very low	33.4	Very low	169 Å²	169	138.3 Å²	138.3	78%	0.782	80%	0.802	S	S	*	*			trans	162.6	110.9	137.2	-96.5	-65.1	0	0	0	108.3
582	V	35.4	Very low	33.7	Very low	115 Å²	115	138.4 Å²	138.4	70%	0.697	80%	0.8	S	S	*	*				67.2	122.3	81	-178.2	0	0	0	0	110.1
583	S	31.9	Very low	33.9	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	80%	0.803	S	S	*	*				-168.8	128.2	77.4	-39.1	0	0	0	0	110
584	S	33.4	Very low	34.2	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	80%	0.798	S	S	*	*				87.7	107.1	101	67.6	0	0	0	0	113
585	N	35.5	Very low	34.4	Very low	159 Å²	159	133.7 Å²	133.7	85%	0.85	80%	0.799	S	S	*	*				63.4	137.4	92.1	-78.2	0.5	0	0	0	111.5
586	S	36.9	Very low	34.7	Very low	94 Å²	94	130.9 Å²	130.9	66%	0.657	80%	0.798	S	S	*	*			cis	174.1	141.9	11.3	41.6	0	0	0	0	102.3
587	T	35.8	Very low	35	Very low	139 Å²	139	128.9 Å²	128.9	85%	0.853	80%	0.802	S	S	*	*				166.3	143.9	98.2	42.7	0	0	0	0	103.5
588	G	32.8	Very low	35.2	Very low	73 Å²	73	128.7 Å²	128.7	75%	0.753	81%	0.812	S	S	*	*				139.9	130.9	65.1	0	0	0	0	0	106.2
589	S	47.6	Very low	35.7	Very low	118 Å²	118	127.1 Å²	127.1	83%	0.825	81%	0.814	S	S	*	*			trans	-65.1	155.3	-167.1	-38.1	0	0	0	0	114.7
590	S	45.6	Very low	36.3	Very low	198 Å²	198	128.4 Å²	128.4	100%	1.385	82%	0.816	S	S	*	*				-165.9	0	107.6	-71.3	0	0	0	0	109.8

Retrieved 590 of 590 residues in 117.9 ms (Link to these results)

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