A0A087Y5W9_POEFO Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A087Y5W9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 576 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	54.1	Low	80.8	Confident	185 Å²	185	90.5 Å²	90.5	91%	0.911	48%	0.477	S	S	*	.				0	-54.4	0	-150.4	172.9	-67.8	0	0	110.1	I3 L478	M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 3.38Å; M1-L478 HydrophobicContact CG-CD1 3.55Å
2	E	67.4	Low	81.5	Confident	155 Å²	155	82.9 Å²	82.9	72%	0.724	44%	0.437	S	S	*	.	H	α-helix	trans	-56.6	-37.5	166.8	-104.5	172.5	158.6	0	0	114.2	E4 N5 I6	E2-E4 VanDerWaalsContact C-N 3.35Å; E2-E4 PolarHBondContact O-N 2.94Å; E2-N5 PolarHBondContact O-N 3.23Å; E2-I6 HydrophobicContact CB-CD1 4.02Å; E2-I6 HydrophobicContact CG-CD1 4.47Å; E2-I6 VanDerWaalsContact O-CG1 3.25Å; E2-I6 WeakPolarHBondContact O-CG1 3.15Å; E2-I6 PolarHBondContact O-N 2.92Å
3	I	79.2	Confident	82.1	Confident	126 Å²	126	79.3 Å²	79.3	65%	0.646	42%	0.418	S	S	*	.	H	α-helix	trans	-59.1	-41.1	-173.5	-61.7	171.8	0	0	0	112.4	M1 N5 I6 V7	M1-I3 VanDerWaalsContact C-N 3.3Å; M1-I3 PolarHBondContact O-N 3.38Å; I3-N5 PolarHBondContact O-N 3.44Å; I3-I6 PolarHBondContact O-N 2.88Å; I3-V7 HydrophobicContact CG2-CG2 3.97Å; I3-V7 VanDerWaalsContact O-CB 3.29Å; I3-V7 WeakPolarHBondContact O-CB 3.29Å; I3-V7 WeakPolarHBondContact O-CG2 3.12Å; I3-V7 PolarHBondContact O-N 2.89Å
4	E	79.8	Confident	82.6	Confident	131 Å²	131	82.4 Å²	82.4	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-64.5	-43.2	-179.4	-72.1	-177.2	176.6	0	0	111.7	E2 A8	E2-E4 VanDerWaalsContact C-N 3.35Å; E2-E4 PolarHBondContact O-N 2.94Å; E4-A8 WeakPolarHBondContact O-CB 3.25Å; E4-A8 PolarHBondContact O-N 2.83Å
5	N	82.6	Confident	82.9	Confident	19 Å²	19	77.4 Å²	77.4	10%	0.102	40%	0.402	C	S	.	.	H	α-helix	trans	-67.6	-43.4	177.8	-166.5	53.8	0	0	0	111.3	E2 I3 A8 N9 D476 V477	E2-N5 PolarHBondContact O-N 3.23Å; I3-N5 PolarHBondContact O-N 3.44Å; N5-A8 PolarHBondContact O-N 2.84Å; N5-N9 WeakPolarHBondContact O-CB 3.29Å; N5-N9 PolarHBondContact O-N 3.42Å; N5-N9 PolarHBondContact O-ND2 3.43Å; N5-N9 PolarHBondContact O-OD1 2.86Å; N5-D476 PolarHBondContact ND2-OD1 2.88Å; N5-V477 PolarHBondContact OD1-N 3.11Å
6	I	84.5	Confident	83	Confident	89 Å²	89	75.8 Å²	75.8	46%	0.456	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-50.9	176	-67.3	165.8	0	0	0	110.1	E2 I3 A8 N9 T10	E2-I6 HydrophobicContact CB-CD1 4.02Å; E2-I6 HydrophobicContact CG-CD1 4.47Å; E2-I6 VanDerWaalsContact O-CG1 3.25Å; E2-I6 WeakPolarHBondContact O-CG1 3.15Å; E2-I6 PolarHBondContact O-N 2.92Å; I3-I6 PolarHBondContact O-N 2.88Å; I6-A8 PolarHBondContact O-N 3.37Å; I6-N9 PolarHBondContact O-N 3.49Å; I6-T10 WeakPolarHBondContact O-CB 3.41Å; I6-T10 PolarHBondContact O-N 3.23Å; I6-T10 PolarHBondContact O-OG1 3.44Å
7	V	87.4	Confident	82.9	Confident	79 Å²	79	79.8 Å²	79.8	48%	0.479	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-47.4	178.8	170.5	0	0	0	0	110.4	I3 N9 T10 V11	I3-V7 HydrophobicContact CG2-CG2 3.97Å; I3-V7 VanDerWaalsContact O-CB 3.29Å; I3-V7 WeakPolarHBondContact O-CB 3.29Å; I3-V7 WeakPolarHBondContact O-CG2 3.12Å; I3-V7 PolarHBondContact O-N 2.89Å; V7-N9 VanDerWaalsContact C-N 3.31Å; V7-N9 PolarHBondContact O-N 3.3Å; V7-T10 PolarHBondContact O-N 2.61Å; V7-V11 HydrophobicContact CG1-CG2 4.26Å; V7-V11 WeakPolarHBondContact O-CB 3.15Å; V7-V11 WeakPolarHBondContact O-CG2 3.37Å; V7-V11 PolarHBondContact O-N 2.73Å
8	A	86.9	Confident	82	Confident	23 Å²	23	76.3 Å²	76.3	19%	0.19	39%	0.393	C	S	.	.	H	α-helix	trans	-58.5	-41.7	178.3	0	0	0	0	0	112.3	E4 N5 I6 L12 R190 V477	E4-A8 WeakPolarHBondContact O-CB 3.25Å; E4-A8 PolarHBondContact O-N 2.83Å; N5-A8 PolarHBondContact O-N 2.84Å; I6-A8 PolarHBondContact O-N 3.37Å; A8-L12 WeakPolarHBondContact O-CB 3.4Å; A8-L12 PolarHBondContact O-N 2.94Å; A8-L12 VanDerWaalsContact O-N 3.11Å; A8-R190 HydrophobicContact CB-CB 3.91Å; A8-V477 HydrophobicContact CB-CG2 4.34Å
9	N	87.6	Confident	80.8	Confident	30 Å²	30	74.2 Å²	74.2	16%	0.16	39%	0.391	C	S	.	.	H	α-helix	trans	-70.2	-49.6	178.3	-70.3	-9.1	0	0	0	112.1	N5 I6 V7 V11 L12 L13 R190	N5-N9 WeakPolarHBondContact O-CB 3.29Å; N5-N9 PolarHBondContact O-N 3.42Å; N5-N9 PolarHBondContact O-ND2 3.43Å; N5-N9 PolarHBondContact O-OD1 2.86Å; I6-N9 PolarHBondContact O-N 3.49Å; V7-N9 VanDerWaalsContact C-N 3.31Å; V7-N9 PolarHBondContact O-N 3.3Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.37Å; N9-L12 PolarHBondContact O-N 3.34Å; N9-L12 VanDerWaalsContact O-N 3.16Å; N9-L13 WeakPolarHBondContact O-CB 3.31Å; N9-L13 VanDerWaalsContact O-CG 3.31Å; N9-L13 WeakPolarHBondContact O-CG 3.47Å; N9-L13 PolarHBondContact O-N 3.01Å; N9-R190 WeakPolarHBondContact OD1-CD 3.33Å; N9-R190 PolarHBondContact OD1-NH1 3.16Å
10	T	89.1	Confident	79.2	Confident	83 Å²	83	74 Å²	74	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-59.3	-41.4	179	-56.9	0	0	0	0	111.3	I6 V7 K14	I6-T10 WeakPolarHBondContact O-CB 3.41Å; I6-T10 PolarHBondContact O-N 3.23Å; I6-T10 PolarHBondContact O-OG1 3.44Å; V7-T10 PolarHBondContact O-N 2.61Å; T10-K14 VanDerWaalsContact O-CB 3.29Å; T10-K14 WeakPolarHBondContact O-CB 3.36Å; T10-K14 PolarHBondContact O-N 3.45Å
11	V	90.1	Very high	78.3	Confident	75 Å²	75	72.7 Å²	72.7	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-66.4	-42	177.5	176.7	0	0	0	0	111.1	V7 N9 A15 Y189	V7-V11 HydrophobicContact CG1-CG2 4.26Å; V7-V11 WeakPolarHBondContact O-CB 3.15Å; V7-V11 WeakPolarHBondContact O-CG2 3.37Å; V7-V11 PolarHBondContact O-N 2.73Å; N9-V11 VanDerWaalsContact C-N 3.28Å; N9-V11 PolarHBondContact O-N 3.37Å; V11-A15 WeakPolarHBondContact O-CB 3.2Å; V11-A15 PolarHBondContact O-N 3.33Å; V11-Y189 HydrophobicContact CG1-CD1 3.71Å; V11-Y189 HydrophobicContact CG1-CE1 3.8Å
12	L	89.9	Confident	78.7	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-63.8	-48.9	176.8	177.3	63.4	0	0	0	111.8	A8 N9 K14 A15 R16 R190 L192 A202 M211 V472	A8-L12 WeakPolarHBondContact O-CB 3.4Å; A8-L12 PolarHBondContact O-N 2.94Å; A8-L12 VanDerWaalsContact O-N 3.11Å; N9-L12 PolarHBondContact O-N 3.34Å; N9-L12 VanDerWaalsContact O-N 3.16Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.26Å; L12-A15 WeakPolarHBondContact O-CA 3.2Å; L12-A15 WeakPolarHBondContact O-CB 3.39Å; L12-A15 PolarHBondContact O-N 2.92Å; L12-R16 HydrophobicContact CD1-CG 4.47Å; L12-R16 WeakPolarHBondContact O-CG 3.46Å; L12-R16 PolarHBondContact O-N 3.11Å; L12-R190 HydrophobicContact CB-CG 4.22Å; L12-R190 HydrophobicContact CD2-CG 3.7Å; L12-R190 HydrophobicContact CG-CG 4.46Å; L12-L192 HydrophobicContact CD2-CD2 4.25Å; L12-A202 HydrophobicContact CD1-CB 3.64Å; L12-M211 HydrophobicContact CD1-CE 3.8Å; L12-V472 HydrophobicContact CD2-CG1 4.49Å
13	L	89.2	Confident	79	Confident	36 Å²	36	72.7 Å²	72.7	19%	0.188	40%	0.401	C	S	.	.	H	α-helix	trans	-59.3	-44.8	179.9	-69.7	173.3	0	0	0	110.9	N9 A15 R16 E17 P469 R470 V472	N9-L13 WeakPolarHBondContact O-CB 3.31Å; N9-L13 VanDerWaalsContact O-CG 3.31Å; N9-L13 WeakPolarHBondContact O-CG 3.47Å; N9-L13 PolarHBondContact O-N 3.01Å; L13-A15 VanDerWaalsContact C-N 3.27Å; L13-A15 PolarHBondContact O-N 3.07Å; L13-R16 WeakPolarHBondContact O-CB 3.5Å; L13-R16 PolarHBondContact O-N 3.24Å; L13-R16 VanDerWaalsContact O-N 3.13Å; L13-E17 WeakPolarHBondContact O-CG 3.48Å; L13-E17 PolarHBondContact O-N 3.42Å; L13-P469 WeakPolarHBondContact CD2-O 3.37Å; L13-R470 WeakPolarHBondContact CD1-O 3.35Å; L13-V472 HydrophobicContact CD2-CG2 4.06Å; L13-V472 HydrophobicContact CG-CG2 4.27Å
14	K	88.1	Confident	79.2	Confident	123 Å²	123	70.8 Å²	70.8	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-34.5	175	-171.3	171.3	-173.9	171	0	112.8	T10 L12 G19	T10-K14 VanDerWaalsContact O-CB 3.29Å; T10-K14 WeakPolarHBondContact O-CB 3.36Å; T10-K14 PolarHBondContact O-N 3.45Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 3.26Å; K14-G19 WeakPolarHBondContact O-CA 3.48Å; K14-G19 PolarHBondContact O-N 2.74Å
15	A	87.1	Confident	79.6	Confident	7 Å²	7	65.2 Å²	65.2	6%	0.058	37%	0.369	C	S	.	.	H	α-helix	trans	-70.6	-38	175.6	0	0	0	0	0	112.2	V11 L12 L13 G18 Y189 M211	V11-A15 WeakPolarHBondContact O-CB 3.2Å; V11-A15 PolarHBondContact O-N 3.33Å; L12-A15 WeakPolarHBondContact O-CA 3.2Å; L12-A15 WeakPolarHBondContact O-CB 3.39Å; L12-A15 PolarHBondContact O-N 2.92Å; L13-A15 VanDerWaalsContact C-N 3.27Å; L13-A15 PolarHBondContact O-N 3.07Å; A15-G18 PolarHBondContact O-N 3.5Å; A15-Y189 HydrophobicContact CB-CD1 4.42Å; A15-Y189 HydrophobicContact CB-CE1 3.74Å; A15-Y189 HydrophobicContact CB-CE2 4.26Å; A15-M211 HydrophobicContact CB-CE 4.1Å; A15-M211 HydrophobicContact CB-SD 4.03Å
16	R	84.7	Confident	80.2	Confident	51 Å²	51	65.3 Å²	65.3	19%	0.192	37%	0.368	C	S	.	.	H	α-helix	trans	-63	-39.3	174.6	-71.3	178.6	175.5	176.4	-3.9	112.2	L12 L13 G18 N267 A471	L12-R16 HydrophobicContact CD1-CG 4.47Å; L12-R16 WeakPolarHBondContact O-CG 3.46Å; L12-R16 PolarHBondContact O-N 3.11Å; L13-R16 WeakPolarHBondContact O-CB 3.5Å; L13-R16 PolarHBondContact O-N 3.24Å; L13-R16 VanDerWaalsContact O-N 3.13Å; R16-G18 PolarHBondContact O-N 3.23Å; R16-N267 VanDerWaalsContact NE-CG 3.26Å; R16-N267 PolarHBondContact NE-OD1 2.93Å; R16-N267 VanDerWaalsContact NH2-CG 3.28Å; R16-N267 PolarHBondContact NH2-OD1 2.97Å; R16-A471 PolarHBondContact NH1-O 2.65Å
17	E	81.3	Confident	80.6	Confident	144 Å²	144	61.6 Å²	61.6	67%	0.673	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	8.5	175	-67.7	176.4	173	0	0	114.1	L13	L13-E17 WeakPolarHBondContact O-CG 3.48Å; L13-E17 PolarHBondContact O-N 3.42Å
18	G	67.3	Low	80.9	Confident	17 Å²	17	66.4 Å²	66.4	18%	0.175	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	14.4	-178.3	0	0	0	0	0	114	A15 R16 N24 G25	A15-G18 PolarHBondContact O-N 3.5Å; R16-G18 PolarHBondContact O-N 3.23Å; G18-N24 CarbonylContact O-C 3.37Å; G18-N24 VanDerWaalsContact O-C 3.25Å; G18-N24 WeakPolarHBondContact O-CA 3.31Å; G18-G25 PolarHBondContact O-N 2.85Å
19	G	59.8	Low	81.2	Confident	36 Å²	36	71.7 Å²	71.7	37%	0.371	38%	0.383	S	S	.	.	S	Bend	trans	70.1	46	170.8	0	0	0	0	0	114.2	K14 G21	K14-G19 WeakPolarHBondContact O-CA 3.48Å; K14-G19 PolarHBondContact O-N 2.74Å; G19-G21 PolarHBondContact O-N 3.17Å
20	G	48.2	Very low	81.6	Confident	71 Å²	71	71.3 Å²	71.3	73%	0.732	38%	0.38	S	S	*	.	S	Bend	trans	52.8	20.3	161.6	0	0	0	0	0	118
21	G	59.8	Low	81.8	Confident	46 Å²	46	73.3 Å²	73.3	47%	0.474	38%	0.381	S	S	.	.	S	Bend	trans	-163.2	170.5	-177.1	0	0	0	0	0	113.9	G19 R23 N24	G19-G21 PolarHBondContact O-N 3.17Å; G21-R23 PolarHBondContact O-N 2.87Å; G21-N24 PolarHBondContact O-N 3.06Å
22	K	62	Low	82	Confident	216 Å²	216	76.4 Å²	76.4	94%	0.939	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	6.7	-172.9	-60.6	-172.6	177.2	-174	0	116.8
23	R	74.4	Confident	82.3	Confident	125 Å²	125	80.3 Å²	80.3	47%	0.472	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	1.2	-171.6	-64.8	-179	-176.2	175	-0.5	113.4	G21 G25 R26 K28	G21-R23 PolarHBondContact O-N 2.87Å; R23-G25 PolarHBondContact O-N 2.87Å; R23-G25 VanDerWaalsContact O-N 3.13Å; R23-R26 HydrophobicContact CB-CB 4.44Å; R23-R26 WeakPolarHBondContact O-CB 3.48Å; R23-R26 VanDerWaalsContact O-CG 3.22Å; R23-R26 WeakPolarHBondContact O-CG 3.48Å; R23-R26 PolarHBondContact O-N 3.49Å; R23-K28 VanDerWaalsContact NH1-CB 3.33Å
24	N	83.8	Confident	82.6	Confident	86 Å²	86	79.3 Å²	79.3	46%	0.46	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	46.3	176.7	-58.6	-8.8	0	0	0	112.4	G18 G21 R26	G18-N24 CarbonylContact O-C 3.37Å; G18-N24 VanDerWaalsContact O-C 3.25Å; G18-N24 WeakPolarHBondContact O-CA 3.31Å; G21-N24 PolarHBondContact O-N 3.06Å; N24-R26 VanDerWaalsContact C-N 3.31Å; N24-R26 PolarHBondContact O-N 3.25Å
25	G	88.6	Confident	82.9	Confident	13 Å²	13	80.3 Å²	80.3	13%	0.134	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	-9.6	-178.4	0	0	0	0	0	117	G18 R23 R187	G18-G25 PolarHBondContact O-N 2.85Å; R23-G25 PolarHBondContact O-N 2.87Å; R23-G25 VanDerWaalsContact O-N 3.13Å; G25-R187 PolarHBondContact O-NH1 2.62Å
26	R	93.7	Very high	83.3	Confident	21 Å²	21	80.7 Å²	80.7	8%	0.079	41%	0.41	C	S	.	.			trans	-63.9	144.7	-178.6	-61.4	-173.6	-157.6	151.1	12.9	113.2	R23 N24 W30 A207 T208 M518 E523	R23-R26 HydrophobicContact CB-CB 4.44Å; R23-R26 WeakPolarHBondContact O-CB 3.48Å; R23-R26 VanDerWaalsContact O-CG 3.22Å; R23-R26 WeakPolarHBondContact O-CG 3.48Å; R23-R26 PolarHBondContact O-N 3.49Å; N24-R26 VanDerWaalsContact C-N 3.31Å; N24-R26 PolarHBondContact O-N 3.25Å; R26-W30 HydrophobicContact CB-CB 4.24Å; R26-W30 HydrophobicContact CB-CG 4.1Å; R26-A207 VanDerWaalsContact CG-O 3.31Å; R26-A207 WeakPolarHBondContact CG-O 3.44Å; R26-T208 VanDerWaalsContact CG-C 3.45Å; R26-T208 WeakPolarHBondContact CG-O 3.25Å; R26-M518 VanDerWaalsContact CZ-O 3.29Å; R26-M518 PolarHBondContact NH2-O 3.44Å; R26-E523 IonicContact CZ-OE1 3.72Å; R26-E523 VanDerWaalsContact NH1-CD 3.32Å; R26-E523 IonicContact NH1-OE1 2.7Å; R26-E523 PolarHBondContact NH1-OE1 2.92Å; R26-E523 IonicContact NH1-OE2 2.7Å; R26-E523 PolarHBondContact NH1-OE2 2.71Å; R26-E523 IonicContact NH2-OE1 2.7Å; R26-E523 PolarHBondContact NH2-OE1 3.03Å
27	S	94.3	Very high	83.8	Confident	11 Å²	11	78.5 Å²	78.5	8%	0.077	40%	0.403	C	S	.	.			trans	-57.3	148.9	170.6	177	0	0	0	0	111.8	K29 W30 R206	S27-K29 PolarHBondContact O-N 3.44Å; S27-K29 PolarHBondContact OG-N 2.88Å; S27-W30 WeakPolarHBondContact O-CB 3.44Å; S27-W30 PolarHBondContact O-N 2.96Å; S27-W30 VanDerWaalsContact O-N 3.17Å; S27-R206 WeakPolarHBondContact CB-O 3.33Å; S27-R206 PolarHBondContact N-O 2.84Å
28	K	92.7	Very high	84.4	Confident	181 Å²	181	72.2 Å²	72.2	79%	0.787	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.7	173.4	-48.1	-153.3	169.5	171.3	0	112.9	R23	R23-K28 VanDerWaalsContact NH1-CB 3.33Å
29	K	94.3	Very high	85.6	Confident	133 Å²	133	71.4 Å²	71.4	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	19.7	-177	-61.1	-175	172.2	-167.9	0	113.2	S27 K31 E32 M33	S27-K29 PolarHBondContact O-N 3.44Å; S27-K29 PolarHBondContact OG-N 2.88Å; K29-K31 VanDerWaalsContact C-N 3.31Å; K29-K31 PolarHBondContact O-N 3.1Å; K29-E32 HydrophobicContact CB-CB 4.48Å; K29-E32 WeakPolarHBondContact CD-OE2 3.49Å; K29-E32 WeakPolarHBondContact O-CB 3.21Å; K29-E32 PolarHBondContact O-N 3.12Å; K29-M33 WeakPolarHBondContact O-CG 3.41Å; K29-M33 PolarHBondContact O-N 3.18Å; K29-M33 VanDerWaalsContact O-N 3.08Å
30	W	95.3	Very high	87.1	Confident	22 Å²	22	72.6 Å²	72.6	8%	0.083	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-36.6	-171.5	73.8	-88.6	0	0	0	113.9	R26 S27 E32 M33 L34 A207 C520 E523 I524	R26-W30 HydrophobicContact CB-CB 4.24Å; R26-W30 HydrophobicContact CB-CG 4.1Å; S27-W30 WeakPolarHBondContact O-CB 3.44Å; S27-W30 PolarHBondContact O-N 2.96Å; S27-W30 VanDerWaalsContact O-N 3.17Å; W30-E32 VanDerWaalsContact C-N 3.26Å; W30-E32 PolarHBondContact O-N 3.5Å; W30-M33 WeakPolarHBondContact O-CB 3.48Å; W30-M33 PolarHBondContact O-N 2.9Å; W30-M33 VanDerWaalsContact O-N 3.08Å; W30-L34 HydrophobicContact CE3-CD1 4.14Å; W30-L34 HydrophobicContact CZ3-CD1 4.47Å; W30-L34 PolarHBondContact O-N 3Å; W30-A207 WeakPolarHBondContact CB-O 3.21Å; W30-C520 HydrophobicContact CZ3-CB 4.29Å; W30-E523 HydrophobicContact CH2-CB 3.88Å; W30-E523 VanDerWaalsContact CH2-OE2 3.3Å; W30-E523 WeakPolarHBondContact CH2-OE2 3.33Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.47Å; W30-I524 HydrophobicContact CE3-CD1 4.3Å; W30-I524 HydrophobicContact CH2-CD1 4.41Å; W30-I524 HydrophobicContact CH2-CG1 4.25Å; W30-I524 HydrophobicContact CZ3-CD1 3.58Å; W30-I524 HydrophobicContact CZ3-CG1 3.9Å
31	K	94.1	Very high	89.3	Confident	126 Å²	126	73.4 Å²	73.4	55%	0.548	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-29	174.4	-65.2	-166.3	175.2	-168.2	0	113.3	K29 K35	K29-K31 VanDerWaalsContact C-N 3.31Å; K29-K31 PolarHBondContact O-N 3.1Å; K31-K35 PolarHBondContact O-N 3.42Å
32	E	94.1	Very high	90.9	Very high	139 Å²	139	71.2 Å²	71.2	65%	0.65	33%	0.33	S	S	*	.	H	α-helix	trans	-74.4	-35.6	172.6	-59.7	178.3	163.7	0	0	110.8	K29 W30	K29-E32 HydrophobicContact CB-CB 4.48Å; K29-E32 WeakPolarHBondContact CD-OE2 3.49Å; K29-E32 WeakPolarHBondContact O-CB 3.21Å; K29-E32 PolarHBondContact O-N 3.12Å; W30-E32 VanDerWaalsContact C-N 3.26Å; W30-E32 PolarHBondContact O-N 3.5Å
33	M	95.4	Very high	92.4	Very high	82 Å²	82	63.7 Å²	63.7	40%	0.404	30%	0.298	S	S	.	.	H	α-helix	trans	-70.1	-33.3	178.2	-66	171.5	150.6	0	0	112.9	K29 W30 A207	K29-M33 WeakPolarHBondContact O-CG 3.41Å; K29-M33 PolarHBondContact O-N 3.18Å; K29-M33 VanDerWaalsContact O-N 3.08Å; W30-M33 WeakPolarHBondContact O-CB 3.48Å; W30-M33 PolarHBondContact O-N 2.9Å; W30-M33 VanDerWaalsContact O-N 3.08Å; M33-A207 HydrophobicContact CB-CB 4.22Å; M33-A207 HydrophobicContact SD-CB 4.41Å
34	L	96.1	Very high	93.3	Very high	15 Å²	15	65 Å²	65	8%	0.079	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	28.6	179.7	-60.2	-179.2	0	0	0	112.2	W30 L36 A207 T208 M515 C520 I524	W30-L34 HydrophobicContact CE3-CD1 4.14Å; W30-L34 HydrophobicContact CZ3-CD1 4.47Å; W30-L34 PolarHBondContact O-N 3Å; L34-L36 PolarHBondContact O-N 3.47Å; L34-A207 HydrophobicContact CD1-CB 4.04Å; L34-A207 HydrophobicContact CD2-CB 4.02Å; L34-A207 HydrophobicContact CG-CB 3.88Å; L34-T208 HydrophobicContact CD1-CG2 4.25Å; L34-M515 HydrophobicContact CD1-SD 4.02Å; L34-M515 HydrophobicContact CD2-SD 4.47Å; L34-C520 HydrophobicContact CD1-CB 4.12Å; L34-I524 HydrophobicContact CB-CD1 3.47Å; L34-I524 VanDerWaalsContact CB-CD1 3.47Å; L34-I524 HydrophobicContact CD1-CD1 3.99Å; L34-I524 HydrophobicContact CG-CD1 4.39Å
35	K	94.9	Very high	93.8	Very high	144 Å²	144	61.5 Å²	61.5	63%	0.626	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-67.9	121.2	179	-173.1	-174.1	175.7	-167.6	0	109.5	K31	K31-K35 PolarHBondContact O-N 3.42Å
36	L	95.2	Very high	94.1	Very high	15 Å²	15	63.5 Å²	63.5	8%	0.079	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.4	137	175.6	-66	171.4	0	0	0	110.7	L34 Q172 W173 L176 I524	L34-L36 PolarHBondContact O-N 3.47Å; L36-Q172 HydrophobicContact CB-CB 4.35Å; L36-Q172 HydrophobicContact CD2-CB 3.84Å; L36-W173 HydrophobicContact CD2-CD2 4.1Å; L36-W173 HydrophobicContact CD2-CG 4.33Å; L36-W173 HydrophobicContact CD2-CZ2 4.49Å; L36-L176 HydrophobicContact CD2-CD1 3.56Å; L36-L176 HydrophobicContact CD2-CG 4.38Å; L36-L176 HydrophobicContact CG-CD1 4.38Å; L36-I524 HydrophobicContact CD1-CG2 3.79Å; L36-I524 HydrophobicContact CD2-CG2 4.37Å; L36-I524 HydrophobicContact CG-CG2 3.74Å
37	P	94.8	Very high	94.1	Very high	6 Å²	6	71.4 Å²	71.4	4%	0.039	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.5	157.4	175.8	32.1	-38.8	0	0	0	110.6	Q41 Q172 W175	P37-Q41 HydrophobicContact CB-CB 4.15Å; P37-Q172 HydrophobicContact CG-CB 4.13Å; P37-Q172 HydrophobicContact CG-CG 4.21Å; P37-Q172 PolarHBondContact O-NE2 2.95Å; P37-W175 HydrophobicContact CB-CD2 3.81Å; P37-W175 HydrophobicContact CB-CE3 3.76Å; P37-W175 HydrophobicContact CB-CG 4.33Å; P37-W175 HydrophobicContact CB-CH2 4.38Å; P37-W175 HydrophobicContact CB-CZ2 4.41Å; P37-W175 HydrophobicContact CB-CZ3 4.06Å; P37-W175 HydrophobicContact CG-CB 3.93Å; P37-W175 HydrophobicContact CG-CD2 3.58Å; P37-W175 HydrophobicContact CG-CE3 3.51Å; P37-W175 HydrophobicContact CG-CG 3.77Å; P37-W175 HydrophobicContact CG-CZ3 4.24Å
38	H	94.1	Very high	94.1	Very high	11 Å²	11	75 Å²	75	5%	0.051	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-63	139.2	165.6	-174.4	-92.6	0	0	0	109.4	S40 Q41 P535 D538 R541 N543	H38-S40 WeakPolarHBondContact ND1-CB 3.49Å; H38-S40 PolarHBondContact ND1-N 3.41Å; H38-S40 PolarHBondContact ND1-OG 3.46Å; H38-S40 PolarHBondContact O-N 2.91Å; H38-Q41 VanDerWaalsContact O-CB 3.31Å; H38-Q41 WeakPolarHBondContact O-CB 3.45Å; H38-Q41 PolarHBondContact O-N 3.37Å; H38-P535 PolarHBondContact CD2-O 3.14Å; H38-D538 PolarHBondContact NE2-O 3.19Å; H38-R541 PolarHBondContact CE1-O 3.13Å; H38-R541 PolarHBondContact NE2-O 3.37Å; H38-R541 VanDerWaalsContact NE2-O 3.07Å; H38-N543 HydrophobicContact CB-CB 4.25Å
39	I	92.2	Very high	94.2	Very high	1 Å²	1	67 Å²	67	1%	0.005	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.9	-27.9	-172.1	-174.7	61.2	0	0	0	113.9	Q41 C42 S168 Q172 D536 M539	I39-Q41 PolarHBondContact O-N 3.08Å; I39-C42 HydrophobicContact CD1-CB 4.15Å; I39-C42 WeakPolarHBondContact O-CB 3.4Å; I39-C42 PolarHBondContact O-N 3.3Å; I39-S168 WeakPolarHBondContact CD1-O 3.41Å; I39-Q172 HydrophobicContact CD1-CG 4.31Å; I39-D536 WeakPolarHBondContact CB-O 3.39Å; I39-D536 PolarHBondContact N-O 3.08Å; I39-M539 HydrophobicContact CB-SD 4.41Å; I39-M539 HydrophobicContact CG1-CE 3.91Å; I39-M539 HydrophobicContact CG1-SD 4.29Å; I39-M539 HydrophobicContact CG2-CE 4.18Å; I39-M539 HydrophobicContact CG2-CG 3.88Å; I39-M539 HydrophobicContact CG2-SD 3.42Å; I39-M539 WeakPolarHBondContact CG2-SD 3.44Å
40	S	91.6	Very high	94.2	Very high	61 Å²	61	67.3 Å²	67.3	43%	0.427	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-62.2	-24.4	173.9	66.1	0	0	0	0	113.9	H38 C42	H38-S40 WeakPolarHBondContact ND1-CB 3.49Å; H38-S40 PolarHBondContact ND1-N 3.41Å; H38-S40 PolarHBondContact ND1-OG 3.46Å; H38-S40 PolarHBondContact O-N 2.91Å; S40-C42 PolarHBondContact O-N 3.05Å
41	Q	93.3	Very high	94.1	Very high	88 Å²	88	73.4 Å²	73.4	41%	0.411	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-75.7	-11	174.5	-59.8	-178.2	-24.3	0	0	112.6	P37 H38 I39 N543	P37-Q41 HydrophobicContact CB-CB 4.15Å; H38-Q41 VanDerWaalsContact O-CB 3.31Å; H38-Q41 WeakPolarHBondContact O-CB 3.45Å; H38-Q41 PolarHBondContact O-N 3.37Å; I39-Q41 PolarHBondContact O-N 3.08Å; Q41-N543 PolarHBondContact NE2-ND2 3.25Å; Q41-N543 VanDerWaalsContact NE2-ND2 3.2Å
42	C	95.1	Very high	94.2	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-97.7	4.2	179.4	-58.1	0	0	0	0	113	I39 S40 E44 L45 R46 L171	I39-C42 HydrophobicContact CD1-CB 4.15Å; I39-C42 WeakPolarHBondContact O-CB 3.4Å; I39-C42 PolarHBondContact O-N 3.3Å; S40-C42 PolarHBondContact O-N 3.05Å; C42-E44 PolarHBondContact O-N 3.05Å; C42-L45 WeakPolarHBondContact O-CB 3.5Å; C42-L45 PolarHBondContact O-N 3.42Å; C42-L45 VanDerWaalsContact O-N 3.17Å; C42-R46 PolarHBondContact O-N 3.49Å; C42-L171 HydrophobicContact CB-CB 3.96Å
43	E	92	Very high	94.4	Very high	57 Å²	57	64.3 Å²	64.3	27%	0.266	30%	0.299	S	S	.	.	H	α-helix	trans	-66.2	-39.2	-173.8	-177.2	55.4	-154.2	0	0	112.7	L45 R46 R47	E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 2.92Å; E43-R46 WeakPolarHBondContact O-CB 3.1Å; E43-R46 PolarHBondContact O-N 3.13Å; E43-R46 IonicContact OE2-NH1 3.76Å; E43-R46 PolarHBondContact OE2-NH1 3.05Å; E43-R46 VanDerWaalsContact OE2-NH1 3.1Å; E43-R47 WeakPolarHBondContact O-CG 3.47Å; E43-R47 PolarHBondContact O-N 2.89Å; E43-R47 IonicContact OE1-CZ 2.95Å; E43-R47 IonicContact OE1-NE 3.43Å; E43-R47 PolarHBondContact OE1-NE 3.13Å; E43-R47 IonicContact OE1-NH2 3.93Å; E43-R47 PolarHBondContact OE1-NH2 2.99Å
44	E	93.7	Very high	94.4	Very high	154 Å²	154	62.1 Å²	62.1	72%	0.72	29%	0.29	S	S	*	.	H	α-helix	trans	-62.8	-42.2	172.2	-175.4	-176.5	171.7	0	0	111.4	C42 R46 R47 T48	C42-E44 PolarHBondContact O-N 3.05Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.42Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-T48 HydrophobicContact CG-CG2 4.46Å; E44-T48 WeakPolarHBondContact O-CG2 3.24Å; E44-T48 PolarHBondContact O-N 2.81Å; E44-T48 PolarHBondContact O-OG1 2.77Å
45	L	94.6	Very high	94.4	Very high	11 Å²	11	62.9 Å²	62.9	6%	0.058	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-40.1	177.7	-176	59.9	0	0	0	111.5	C42 E43 R47 T48 I49 L171 K174 W175 R178	C42-L45 WeakPolarHBondContact O-CB 3.5Å; C42-L45 PolarHBondContact O-N 3.42Å; C42-L45 VanDerWaalsContact O-N 3.17Å; E43-L45 VanDerWaalsContact C-N 3.33Å; E43-L45 PolarHBondContact O-N 2.92Å; L45-R47 PolarHBondContact O-N 2.98Å; L45-T48 PolarHBondContact O-N 3.12Å; L45-I49 VanDerWaalsContact O-CB 3.27Å; L45-I49 WeakPolarHBondContact O-CB 3.46Å; L45-I49 WeakPolarHBondContact O-CG2 3.38Å; L45-I49 PolarHBondContact O-N 2.88Å; L45-L171 HydrophobicContact CD2-CD2 4.32Å; L45-L171 WeakPolarHBondContact CD2-O 3.27Å; L45-L171 HydrophobicContact CG-CD2 4.01Å; L45-K174 HydrophobicContact CD1-CG 4.25Å; L45-K174 HydrophobicContact CD2-CB 3.77Å; L45-K174 HydrophobicContact CD2-CG 3.85Å; L45-K174 HydrophobicContact CG-CG 4.49Å; L45-W175 HydrophobicContact CD2-CB 4.21Å; L45-R178 VanDerWaalsContact CD1-CZ 3.4Å
46	R	94.7	Very high	94.5	Very high	55 Å²	55	56.2 Å²	56.2	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-35.1	175.7	-175.2	177.2	-79.9	161.1	-13.5	112.5	C42 E43 E44 S168 L171 M539	C42-R46 PolarHBondContact O-N 3.49Å; E43-R46 WeakPolarHBondContact O-CB 3.1Å; E43-R46 PolarHBondContact O-N 3.13Å; E43-R46 IonicContact OE2-NH1 3.76Å; E43-R46 PolarHBondContact OE2-NH1 3.05Å; E43-R46 VanDerWaalsContact OE2-NH1 3.1Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.42Å; R46-S168 PolarHBondContact NH2-OG 2.87Å; R46-L171 HydrophobicContact CB-CD1 3.72Å; R46-L171 HydrophobicContact CG-CD1 3.94Å; R46-M539 VanDerWaalsContact NH1-CE 3.26Å
47	R	93.7	Very high	94.6	Very high	188 Å²	188	55.7 Å²	55.7	71%	0.709	27%	0.266	S	S	*	.	H	α-helix	trans	-81.5	-33.4	-179.5	-66.2	173.4	-169.5	-170.9	0.3	113.1	E43 E44 L45	E43-R47 WeakPolarHBondContact O-CG 3.47Å; E43-R47 PolarHBondContact O-N 2.89Å; E43-R47 IonicContact OE1-CZ 2.95Å; E43-R47 IonicContact OE1-NE 3.43Å; E43-R47 PolarHBondContact OE1-NE 3.13Å; E43-R47 IonicContact OE1-NH2 3.93Å; E43-R47 PolarHBondContact OE1-NH2 2.99Å; E44-R47 PolarHBondContact O-N 2.85Å; L45-R47 PolarHBondContact O-N 2.98Å
48	T	94.6	Very high	94.6	Very high	86 Å²	86	58.6 Å²	58.6	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-97.6	-15.6	-171	54.3	0	0	0	0	114.1	E44 L45	E44-T48 HydrophobicContact CG-CG2 4.46Å; E44-T48 WeakPolarHBondContact O-CG2 3.24Å; E44-T48 PolarHBondContact O-N 2.81Å; E44-T48 PolarHBondContact O-OG1 2.77Å; L45-T48 PolarHBondContact O-N 3.12Å
49	I	94.6	Very high	94.7	Very high	14 Å²	14	64.3 Å²	64.3	7%	0.072	30%	0.303	C	S	.	.	S	Bend	trans	-70.4	133.5	-179.1	-163	163	0	0	0	111.7	L45 R51 L56 F167 F170 L171 K174	L45-I49 VanDerWaalsContact O-CB 3.27Å; L45-I49 WeakPolarHBondContact O-CB 3.46Å; L45-I49 WeakPolarHBondContact O-CG2 3.38Å; L45-I49 PolarHBondContact O-N 2.88Å; I49-R51 PolarHBondContact O-N 3.24Å; I49-L56 HydrophobicContact CD1-CD2 4.05Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; I49-F167 HydrophobicContact CG2-CZ 4.13Å; I49-F170 HydrophobicContact CD1-CD1 4.49Å; I49-F170 HydrophobicContact CD1-CE1 3.59Å; I49-F170 HydrophobicContact CD1-CZ 4.35Å; I49-L171 HydrophobicContact CD1-CD2 4.21Å; I49-L171 HydrophobicContact CG2-CD2 4.2Å; I49-K174 HydrophobicContact CD1-CG 4.14Å
50	E	93.7	Very high	94.9	Very high	138 Å²	138	64.8 Å²	64.8	65%	0.645	31%	0.306	S	S	*	.			trans	-64	132	174.2	-176	179	-165.6	0	0	110.7	D52 L56	E50-D52 VanDerWaalsContact C-N 3.35Å; E50-D52 HydrophobicContact CG-CB 4.19Å; E50-D52 PolarHBondContact O-N 2.79Å; E50-L56 WeakPolarHBondContact O-CD1 3.37Å
51	R	93.5	Very high	95.3	Very high	151 Å²	151	62.9 Å²	62.9	57%	0.57	29%	0.291	S	S	*	.			trans	-96.5	52.4	-176.2	-63.8	-170.6	-179.2	-150.9	4.3	111.9	I49	I49-R51 PolarHBondContact O-N 3.24Å
52	D	96.7	Very high	95.5	Very high	58 Å²	58	58.7 Å²	58.7	31%	0.31	27%	0.272	S	S	.	.			trans	-97.3	123.6	175.9	171.1	49.2	0	0	0	111.1	E50 T54 S55 L56	E50-D52 VanDerWaalsContact C-N 3.35Å; E50-D52 HydrophobicContact CG-CB 4.19Å; E50-D52 PolarHBondContact O-N 2.79Å; D52-T54 VanDerWaalsContact C-N 3.33Å; D52-T54 PolarHBondContact O-N 3.42Å; D52-T54 PolarHBondContact OD1-N 2.95Å; D52-T54 PolarHBondContact OD1-OG1 3.48Å; D52-T54 VanDerWaalsContact OD2-CB 3.31Å; D52-T54 WeakPolarHBondContact OD2-CB 3.43Å; D52-T54 PolarHBondContact OD2-N 2.86Å; D52-S55 PolarHBondContact O-N 3.46Å; D52-S55 WeakPolarHBondContact OD2-CB 3.47Å; D52-S55 PolarHBondContact OD2-N 3.19Å; D52-L56 WeakPolarHBondContact O-CB 3.5Å; D52-L56 WeakPolarHBondContact O-CG 3.42Å; D52-L56 PolarHBondContact O-N 2.72Å
53	F	97.4	Very high	95.7	Very high	15 Å²	15	58.7 Å²	58.7	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-42.7	179.8	176	-100.4	0	0	0	111.7	S55 L56 C57 E58 F67 R150 L153 F158	F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.22Å; F53-L56 PolarHBondContact O-N 3Å; F53-C57 HydrophobicContact CD2-CB 3.74Å; F53-C57 HydrophobicContact CE2-CB 3.6Å; F53-C57 HydrophobicContact CG-CB 4.41Å; F53-C57 HydrophobicContact CZ-CB 4.15Å; F53-C57 WeakPolarHBondContact O-CA 3.24Å; F53-C57 WeakPolarHBondContact O-CB 3.11Å; F53-C57 PolarHBondContact O-N 3.42Å; F53-E58 HydrophobicContact CD1-CG 4.27Å; F53-E58 HydrophobicContact CE1-CG 3.84Å; F53-E58 HydrophobicContact CZ-CG 4.47Å; F53-F67 HydrophobicContact CE2-CD1 4.39Å; F53-F67 AromaticContact CE2-CE1 3.76Å; F53-F67 HydrophobicContact CE2-CE1 3.76Å; F53-F67 HydrophobicContact CE2-CE2 4.4Å; F53-F67 AromaticContact CE2-CZ 3.77Å; F53-F67 HydrophobicContact CE2-CZ 3.77Å; F53-F67 HydrophobicContact CZ-CE1 4.13Å; F53-F67 HydrophobicContact CZ-CZ 4.48Å; F53-R150 HydrophobicContact CE1-CG 4.16Å; F53-L153 HydrophobicContact CE2-CB 4.25Å; F53-L153 HydrophobicContact CZ-CB 3.87Å; F53-F158 HydrophobicContact CB-CD1 4.19Å; F53-F158 HydrophobicContact CB-CE1 4.18Å; F53-F158 HydrophobicContact CB-CG 4.36Å; F53-F158 HydrophobicContact CB-CZ 4.34Å; F53-F158 HydrophobicContact CD2-CB 3.95Å; F53-F158 HydrophobicContact CD2-CD1 4.46Å; F53-F158 AromaticContact CD2-CD2 3.73Å; F53-F158 HydrophobicContact CD2-CD2 3.73Å; F53-F158 HydrophobicContact CD2-CE2 4.3Å; F53-F158 AromaticContact CD2-CG 3.81Å; F53-F158 HydrophobicContact CD2-CG 3.81Å
54	T	96.6	Very high	96	Very high	37 Å²	37	61.2 Å²	61.2	23%	0.227	28%	0.279	C	S	.	.	I	π-helix	trans	-59.5	-47.5	-179.3	-43.4	0	0	0	0	110.5	D52 E58 K59 R150	D52-T54 VanDerWaalsContact C-N 3.33Å; D52-T54 PolarHBondContact O-N 3.42Å; D52-T54 PolarHBondContact OD1-N 2.95Å; D52-T54 PolarHBondContact OD1-OG1 3.48Å; D52-T54 VanDerWaalsContact OD2-CB 3.31Å; D52-T54 WeakPolarHBondContact OD2-CB 3.43Å; D52-T54 PolarHBondContact OD2-N 2.86Å; T54-E58 WeakPolarHBondContact CA-OE2 3.43Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.27Å; T54-E58 WeakPolarHBondContact O-CB 2.94Å; T54-E58 PolarHBondContact O-N 3.02Å; T54-K59 HydrophobicContact CG2-CD 4.38Å; T54-K59 HydrophobicContact CG2-CG 4.45Å; T54-K59 PolarHBondContact O-N 3.32Å; T54-R150 PolarHBondContact OG1-NH2 2.95Å
55	S	95.8	Very high	96.2	Very high	31 Å²	31	56.8 Å²	56.8	22%	0.217	26%	0.26	C	S	.	.	I	π-helix	trans	-66.9	-49.1	179.9	-179.9	0	0	0	0	112.3	D52 F53 Q60	D52-S55 PolarHBondContact O-N 3.46Å; D52-S55 WeakPolarHBondContact OD2-CB 3.47Å; D52-S55 PolarHBondContact OD2-N 3.19Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.22Å; S55-Q60 VanDerWaalsContact O-CB 3.32Å; S55-Q60 WeakPolarHBondContact O-CB 3.38Å; S55-Q60 VanDerWaalsContact O-CG 3.29Å; S55-Q60 WeakPolarHBondContact O-CG 3.21Å; S55-Q60 PolarHBondContact O-N 3.42Å; S55-Q60 VanDerWaalsContact O-N 3.14Å; S55-Q60 PolarHBondContact O-NE2 2.87Å; S55-Q60 PolarHBondContact OG-NE2 2.77Å
56	L	96.9	Very high	96.4	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	26%	0.257	C	S	.	.	I	π-helix	trans	-82.2	-38.2	-170.6	-64.5	-177.3	0	0	0	113.5	I49 E50 D52 F53 G63 F158 F167 F170	I49-L56 HydrophobicContact CD1-CD2 4.05Å; I49-L56 HydrophobicContact CG1-CD2 4.33Å; E50-L56 WeakPolarHBondContact O-CD1 3.37Å; D52-L56 WeakPolarHBondContact O-CB 3.5Å; D52-L56 WeakPolarHBondContact O-CG 3.42Å; D52-L56 PolarHBondContact O-N 2.72Å; F53-L56 PolarHBondContact O-N 3Å; L56-G63 CarbonylContact O-C 3.58Å; L56-G63 VanDerWaalsContact O-C 3.24Å; L56-G63 WeakPolarHBondContact O-CA 3.29Å; L56-F158 HydrophobicContact CB-CE2 4.46Å; L56-F158 HydrophobicContact CD1-CE2 4.3Å; L56-F158 HydrophobicContact CD1-CZ 4.03Å; L56-F167 HydrophobicContact CD1-CE2 4.08Å; L56-F170 HydrophobicContact CD2-CE1 3.66Å; L56-F170 HydrophobicContact CD2-CZ 3.67Å
57	C	97.8	Very high	96.6	Very high	5 Å²	5	54 Å²	54	3%	0.034	25%	0.249	C	C	.	.	I	π-helix	trans	-110.4	-16.8	-169.4	-62.9	0	0	0	0	113.6	F53 R64 F67	F53-C57 HydrophobicContact CD2-CB 3.74Å; F53-C57 HydrophobicContact CE2-CB 3.6Å; F53-C57 HydrophobicContact CG-CB 4.41Å; F53-C57 HydrophobicContact CZ-CB 4.15Å; F53-C57 WeakPolarHBondContact O-CA 3.24Å; F53-C57 WeakPolarHBondContact O-CB 3.11Å; F53-C57 PolarHBondContact O-N 3.42Å; C57-R64 VanDerWaalsContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CB 3.42Å; C57-R64 WeakPolarHBondContact O-CG 3.41Å; C57-F67 HydrophobicContact CB-CB 4.16Å; C57-F67 HydrophobicContact CB-CD1 4Å; C57-F67 HydrophobicContact CB-CG 3.98Å
58	E	94.9	Very high	96.8	Very high	66 Å²	66	47.4 Å²	47.4	31%	0.308	22%	0.224	S	C	.	.	I	π-helix	trans	-110	-53	178.8	-54.8	-178.2	135.6	0	0	112.2	F53 T54 R150	F53-E58 HydrophobicContact CD1-CG 4.27Å; F53-E58 HydrophobicContact CE1-CG 3.84Å; F53-E58 HydrophobicContact CZ-CG 4.47Å; T54-E58 WeakPolarHBondContact CA-OE2 3.43Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.27Å; T54-E58 WeakPolarHBondContact O-CB 2.94Å; T54-E58 PolarHBondContact O-N 3.02Å; E58-R150 WeakPolarHBondContact OE1-CD 3.33Å; E58-R150 IonicContact OE1-CZ 3.33Å; E58-R150 IonicContact OE1-NE 2.68Å; E58-R150 PolarHBondContact OE1-NE 3.01Å; E58-R150 IonicContact OE1-NH2 3.41Å; E58-R150 IonicContact OE2-CZ 2.65Å; E58-R150 IonicContact OE2-NE 2.7Å; E58-R150 PolarHBondContact OE2-NE 3.34Å; E58-R150 VanDerWaalsContact OE2-NE 3.16Å; E58-R150 IonicContact OE2-NH2 2.98Å; E58-R150 PolarHBondContact OE2-NH2 2.64Å
59	K	95.2	Very high	96.9	Very high	131 Å²	131	46.1 Å²	46.1	57%	0.57	21%	0.212	S	C	*	.	I	π-helix	trans	-80.2	-41.6	-173.6	-70.1	-177	176.3	-178.7	0	113.9	T54 P61 I509	T54-K59 HydrophobicContact CG2-CD 4.38Å; T54-K59 HydrophobicContact CG2-CG 4.45Å; T54-K59 PolarHBondContact O-N 3.32Å; K59-P61 VanDerWaalsContact O-CD 3.31Å; K59-P61 WeakPolarHBondContact O-CD 3.47Å; K59-I509 HydrophobicContact CB-CD1 4.35Å
60	Q	97.6	Very high	97	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.056	21%	0.21	C	C	.	.	S	Bend	trans	-79.7	115.4	-178.4	-81.1	179.8	77.9	0	0	111.1	S55 I62 G63 R64 S508	S55-Q60 VanDerWaalsContact O-CB 3.32Å; S55-Q60 WeakPolarHBondContact O-CB 3.38Å; S55-Q60 VanDerWaalsContact O-CG 3.29Å; S55-Q60 WeakPolarHBondContact O-CG 3.21Å; S55-Q60 PolarHBondContact O-N 3.42Å; S55-Q60 VanDerWaalsContact O-N 3.14Å; S55-Q60 PolarHBondContact O-NE2 2.87Å; S55-Q60 PolarHBondContact OG-NE2 2.77Å; Q60-I62 PolarHBondContact O-N 3.2Å; Q60-G63 PolarHBondContact O-N 3Å; Q60-G63 VanDerWaalsContact O-N 3.15Å; Q60-R64 WeakPolarHBondContact O-CB 3.42Å; Q60-R64 PolarHBondContact O-N 3.03Å; Q60-S508 PolarHBondContact OE1-OG 2.58Å
61	P	98.1	Very high	97.2	Very high	20 Å²	20	39.1 Å²	39.1	13%	0.13	18%	0.179	C	C	.	.	H	α-helix	trans	-57	-46.7	-172.7	-26.9	33.8	0	0	0	115	K59 L65 I509 Q512 N513 I516	K59-P61 VanDerWaalsContact O-CD 3.31Å; K59-P61 WeakPolarHBondContact O-CD 3.47Å; P61-L65 WeakPolarHBondContact O-CG 3.19Å; P61-L65 PolarHBondContact O-N 3.06Å; P61-I509 HydrophobicContact CG-CG2 4.11Å; P61-Q512 HydrophobicContact CB-CB 4.06Å; P61-Q512 HydrophobicContact CG-CB 4.03Å; P61-Q512 VanDerWaalsContact N-OE1 3.17Å; P61-N513 WeakPolarHBondContact CB-OD1 3.28Å; P61-N513 WeakPolarHBondContact CG-OD1 3.18Å; P61-I516 HydrophobicContact CB-CD1 3.47Å; P61-I516 VanDerWaalsContact CB-CD1 3.47Å
62	I	98.6	Very high	97.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-40.4	178.3	-74.1	178.8	0	0	0	110.3	Q60 L65 L66 F170 W173 W511 Q512 M515 I516 F521	Q60-I62 PolarHBondContact O-N 3.2Å; I62-L65 PolarHBondContact O-N 2.72Å; I62-L66 HydrophobicContact CG2-CD1 3.56Å; I62-L66 HydrophobicContact CG2-CG 4.18Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.27Å; I62-L66 WeakPolarHBondContact O-CG 3.18Å; I62-L66 PolarHBondContact O-N 3.34Å; I62-F170 HydrophobicContact CG2-CD2 4.4Å; I62-W173 HydrophobicContact CD1-CB 4.47Å; I62-W173 HydrophobicContact CD1-CD2 4.02Å; I62-W173 HydrophobicContact CD1-CE3 3.87Å; I62-W173 HydrophobicContact CD1-CG 4.29Å; I62-W173 HydrophobicContact CD1-CZ3 4.47Å; I62-W173 HydrophobicContact CG2-CB 4.09Å; I62-W173 HydrophobicContact CG2-CG 4Å; I62-W511 HydrophobicContact CD1-CZ3 4.24Å; I62-Q512 HydrophobicContact CB-CB 4.36Å; I62-Q512 HydrophobicContact CB-CG 4.15Å; I62-Q512 HydrophobicContact CD1-CB 4.11Å; I62-Q512 HydrophobicContact CD1-CG 3.96Å; I62-Q512 HydrophobicContact CG1-CB 3.93Å; I62-Q512 HydrophobicContact CG1-CG 4.06Å; I62-M515 HydrophobicContact CD1-CB 4.06Å; I62-M515 HydrophobicContact CD1-CG 4.41Å; I62-I516 HydrophobicContact CG1-CD1 4.01Å; I62-I516 HydrophobicContact CG1-CG1 4.12Å; I62-F521 HydrophobicContact CB-CE2 4.42Å; I62-F521 HydrophobicContact CD1-CD2 3.86Å; I62-F521 HydrophobicContact CD1-CE2 4.45Å; I62-F521 HydrophobicContact CG1-CD2 3.86Å; I62-F521 HydrophobicContact CG1-CE2 4.17Å; I62-F521 HydrophobicContact CG1-CG 4.43Å; I62-F521 HydrophobicContact CG2-CD2 4.13Å; I62-F521 HydrophobicContact CG2-CE2 3.65Å; I62-F521 HydrophobicContact CG2-CZ 4.44Å
63	G	98.3	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.6	-42.2	177.5	0	0	0	0	0	112.6	L56 Q60 L66 F67	L56-G63 CarbonylContact O-C 3.58Å; L56-G63 VanDerWaalsContact O-C 3.24Å; L56-G63 WeakPolarHBondContact O-CA 3.29Å; Q60-G63 PolarHBondContact O-N 3Å; Q60-G63 VanDerWaalsContact O-N 3.15Å; G63-L66 PolarHBondContact O-N 3.45Å; G63-F67 WeakPolarHBondContact O-CB 3.16Å; G63-F67 PolarHBondContact O-N 3.19Å
64	R	98.3	Very high	97.2	Very high	111 Å²	111	39.9 Å²	39.9	42%	0.419	19%	0.192	S	C	.	.	H	α-helix	trans	-59.3	-46	171.8	-178.2	176.3	174.5	-145	-2.9	112.2	C57 Q60 F67 R68	C57-R64 VanDerWaalsContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CA 3.26Å; C57-R64 WeakPolarHBondContact O-CB 3.42Å; C57-R64 WeakPolarHBondContact O-CG 3.41Å; Q60-R64 WeakPolarHBondContact O-CB 3.42Å; Q60-R64 PolarHBondContact O-N 3.03Å; R64-F67 PolarHBondContact O-N 2.83Å; R64-R68 WeakPolarHBondContact O-CB 3.17Å; R64-R68 WeakPolarHBondContact O-CG 3.32Å; R64-R68 PolarHBondContact O-N 3.4Å
65	L	98.4	Very high	97	Very high	61 Å²	61	42.7 Å²	42.7	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-63.3	-44.1	178.1	-73.9	177.4	0	0	0	112.2	P61 I62 R68 Q69 I516 F521	P61-L65 WeakPolarHBondContact O-CG 3.19Å; P61-L65 PolarHBondContact O-N 3.06Å; I62-L65 PolarHBondContact O-N 2.72Å; L65-R68 PolarHBondContact O-N 3.3Å; L65-Q69 WeakPolarHBondContact O-CG 3.25Å; L65-Q69 PolarHBondContact O-N 3.13Å; L65-I516 HydrophobicContact CD1-CD1 3.54Å; L65-I516 HydrophobicContact CD1-CG1 3.83Å; L65-I516 HydrophobicContact CD1-CG2 4.39Å; L65-F521 HydrophobicContact CB-CE1 4.29Å; L65-F521 HydrophobicContact CB-CZ 4.4Å; L65-F521 HydrophobicContact CD1-CD1 4.08Å; L65-F521 HydrophobicContact CD1-CE1 3.87Å
66	L	98.4	Very high	96.9	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-37.7	179.6	-69.9	170.2	0	0	0	112	I62 G63 Q69 Y70 R169 F170 F521 Y527	I62-L66 HydrophobicContact CG2-CD1 3.56Å; I62-L66 HydrophobicContact CG2-CG 4.18Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.27Å; I62-L66 WeakPolarHBondContact O-CG 3.18Å; I62-L66 PolarHBondContact O-N 3.34Å; G63-L66 PolarHBondContact O-N 3.45Å; L66-Q69 PolarHBondContact O-N 2.93Å; L66-Y70 PolarHBondContact O-N 2.72Å; L66-R169 HydrophobicContact CD1-CG 4.48Å; L66-R169 HydrophobicContact CD2-CB 4.48Å; L66-R169 HydrophobicContact CD2-CG 4Å; L66-F170 VanDerWaalsContact CD1-CA 3.43Å; L66-F170 HydrophobicContact CD1-CB 3.55Å; L66-F170 HydrophobicContact CD1-CD2 4.18Å; L66-F170 HydrophobicContact CD1-CG 4.37Å; L66-F521 HydrophobicContact CD2-CE2 4.32Å; L66-F521 HydrophobicContact CD2-CZ 3.98Å; L66-F521 HydrophobicContact CG-CE2 4.37Å; L66-F521 HydrophobicContact CG-CZ 4.13Å; L66-Y527 WeakPolarHBondContact CD2-OH 2.92Å
67	F	98.4	Very high	96.9	Very high	6 Å²	6	45 Å²	45	3%	0.026	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-40.5	172.7	-176.3	-111.5	0	0	0	111.6	F53 C57 G63 R64 Y70 C71 I81 L153 Y161	F53-F67 HydrophobicContact CE2-CD1 4.39Å; F53-F67 AromaticContact CE2-CE1 3.76Å; F53-F67 HydrophobicContact CE2-CE1 3.76Å; F53-F67 HydrophobicContact CE2-CE2 4.4Å; F53-F67 AromaticContact CE2-CZ 3.77Å; F53-F67 HydrophobicContact CE2-CZ 3.77Å; F53-F67 HydrophobicContact CZ-CE1 4.13Å; F53-F67 HydrophobicContact CZ-CZ 4.48Å; C57-F67 HydrophobicContact CB-CB 4.16Å; C57-F67 HydrophobicContact CB-CD1 4Å; C57-F67 HydrophobicContact CB-CG 3.98Å; G63-F67 WeakPolarHBondContact O-CB 3.16Å; G63-F67 PolarHBondContact O-N 3.19Å; R64-F67 PolarHBondContact O-N 2.83Å; F67-Y70 HydrophobicContact CD2-CD1 4.35Å; F67-Y70 HydrophobicContact CE2-CD1 4.29Å; F67-Y70 WeakPolarHBondContact O-CB 3.36Å; F67-Y70 PolarHBondContact O-N 2.83Å; F67-C71 PolarHBondContact O-N 2.88Å; F67-C71 PolarHBondContact O-SG 3.09Å; F67-I81 HydrophobicContact CE1-CD1 4.42Å; F67-L153 HydrophobicContact CE1-CD2 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.46Å; F67-L153 HydrophobicContact CZ-CD2 4.35Å; F67-Y161 HydrophobicContact CB-CE2 4.29Å; F67-Y161 AromaticContact CD2-CD1 3.82Å; F67-Y161 HydrophobicContact CD2-CD1 3.82Å; F67-Y161 AromaticContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CE1 4.28Å; F67-Y161 HydrophobicContact CD2-CE2 4.34Å; F67-Y161 AromaticContact CD2-CG 3.58Å; F67-Y161 HydrophobicContact CD2-CG 3.58Å; F67-Y161 HydrophobicContact CE2-CD1 4.45Å; F67-Y161 HydrophobicContact CE2-CG 4.13Å
68	R	97.9	Very high	96.8	Very high	50 Å²	50	48.1 Å²	48.1	19%	0.189	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-45.2	174.4	-75.5	-178.9	169.8	-134.1	-5.4	112.7	R64 L65 Y70 C71 D72 I81 D85	R64-R68 WeakPolarHBondContact O-CB 3.17Å; R64-R68 WeakPolarHBondContact O-CG 3.32Å; R64-R68 PolarHBondContact O-N 3.4Å; L65-R68 PolarHBondContact O-N 3.3Å; R68-Y70 PolarHBondContact O-N 3.45Å; R68-C71 CarbonylContact O-C 3.57Å; R68-C71 WeakPolarHBondContact O-CB 3.43Å; R68-C71 PolarHBondContact O-N 2.9Å; R68-D72 PolarHBondContact O-N 2.87Å; R68-I81 HydrophobicContact CG-CG2 4.07Å; R68-D85 IonicContact CZ-OD1 3.16Å; R68-D85 VanDerWaalsContact CZ-OD1 3.3Å; R68-D85 IonicContact CZ-OD2 2.88Å; R68-D85 VanDerWaalsContact NH1-CG 3.32Å; R68-D85 IonicContact NH1-OD1 2.83Å; R68-D85 PolarHBondContact NH1-OD1 2.8Å; R68-D85 IonicContact NH1-OD2 3.83Å; R68-D85 PolarHBondContact NH1-OD2 3.11Å; R68-D85 IonicContact NH2-OD1 2.85Å; R68-D85 PolarHBondContact NH2-OD1 3.29Å; R68-D85 IonicContact NH2-OD2 3.46Å
69	Q	97.3	Very high	96.8	Very high	60 Å²	60	48.7 Å²	48.7	28%	0.28	23%	0.23	S	C	.	.	H	α-helix	trans	-57.4	-38.1	174.4	-73.8	174.7	-3.7	0	0	111.7	L65 L66 Y166 Y527	L65-Q69 WeakPolarHBondContact O-CG 3.25Å; L65-Q69 PolarHBondContact O-N 3.13Å; L66-Q69 PolarHBondContact O-N 2.93Å; Q69-Y166 HydrophobicContact CB-CD1 3.94Å; Q69-Y166 HydrophobicContact CB-CE1 3.74Å; Q69-Y527 PolarHBondContact OE1-OH 3.24Å; Q69-Y527 VanDerWaalsContact OE1-OH 3.13Å
70	Y	97.4	Very high	96.8	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-49.3	171.6	169.1	-102.1	0	0	0	112.4	L66 F67 R68 D72 T73 R74 L77 S160 Y161 Y166	L66-Y70 PolarHBondContact O-N 2.72Å; F67-Y70 HydrophobicContact CD2-CD1 4.35Å; F67-Y70 HydrophobicContact CE2-CD1 4.29Å; F67-Y70 WeakPolarHBondContact O-CB 3.36Å; F67-Y70 PolarHBondContact O-N 2.83Å; R68-Y70 PolarHBondContact O-N 3.45Å; Y70-D72 VanDerWaalsContact C-N 3.27Å; Y70-D72 PolarHBondContact O-N 2.86Å; Y70-T73 WeakPolarHBondContact O-CB 3.45Å; Y70-T73 PolarHBondContact O-N 3.12Å; Y70-T73 VanDerWaalsContact O-N 3.14Å; Y70-T73 PolarHBondContact O-OG1 3.32Å; Y70-R74 VanDerWaalsContact CZ-CZ 3.44Å; Y70-R74 VanDerWaalsContact CZ-NH1 3.31Å; Y70-R74 PolarHBondContact OH-NH1 3.3Å; Y70-R74 PolarHBondContact OH-NH2 2.85Å; Y70-L77 HydrophobicContact CD1-CD1 4.35Å; Y70-L77 HydrophobicContact CE1-CD1 3.86Å; Y70-S160 WeakPolarHBondContact OH-CB 3.42Å; Y70-S160 PolarHBondContact OH-O 3.35Å; Y70-S160 VanDerWaalsContact OH-O 3.13Å; Y70-Y161 HydrophobicContact CD1-CD2 4.05Å; Y70-Y161 HydrophobicContact CD1-CG 4.38Å; Y70-Y161 HydrophobicContact CD2-CD2 4.45Å; Y70-Y161 AromaticContact CG-CD2 3.87Å; Y70-Y161 HydrophobicContact CG-CD2 3.87Å; Y70-Y161 PolarHBondContact OH-N 2.87Å; Y70-Y161 VanDerWaalsContact OH-N 3.12Å; Y70-Y166 AromaticContact CD2-CD2 3.73Å; Y70-Y166 HydrophobicContact CD2-CD2 3.73Å; Y70-Y166 HydrophobicContact CD2-CE2 4.13Å; Y70-Y166 HydrophobicContact CG-CD2 4.26Å
71	C	97.3	Very high	96.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-34.8	177.5	-67.5	0	0	0	0	112.8	F67 R68 T73 R74 L77 K78 I81	F67-C71 PolarHBondContact O-N 2.88Å; F67-C71 PolarHBondContact O-SG 3.09Å; R68-C71 CarbonylContact O-C 3.57Å; R68-C71 WeakPolarHBondContact O-CB 3.43Å; R68-C71 PolarHBondContact O-N 2.9Å; C71-T73 PolarHBondContact O-N 3.18Å; C71-R74 CarbonylContact O-C 3.57Å; C71-R74 PolarHBondContact O-N 2.49Å; C71-L77 HydrophobicContact CB-CB 3.77Å; C71-K78 PolarHBondContact O-N 2.82Å; C71-I81 HydrophobicContact CB-CG1 3.74Å
72	D	96.3	Very high	96.7	Very high	83 Å²	83	44.4 Å²	44.4	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-62.5	-22.5	178.3	-74.4	-33.8	0	0	0	113	R68 Y70 R74 K78	R68-D72 PolarHBondContact O-N 2.87Å; Y70-D72 VanDerWaalsContact C-N 3.27Å; Y70-D72 PolarHBondContact O-N 2.86Å; D72-R74 PolarHBondContact O-N 3.15Å; D72-K78 IonicContact OD1-NZ 3.05Å
73	T	95.6	Very high	96.6	Very high	77 Å²	77	44.4 Å²	44.4	47%	0.472	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-7.9	174.7	69.2	0	0	0	0	113.9	Y70 C71 Y166	Y70-T73 WeakPolarHBondContact O-CB 3.45Å; Y70-T73 PolarHBondContact O-N 3.12Å; Y70-T73 VanDerWaalsContact O-N 3.14Å; Y70-T73 PolarHBondContact O-OG1 3.32Å; C71-T73 PolarHBondContact O-N 3.18Å; T73-Y166 HydrophobicContact CG2-CE2 4.32Å; T73-Y166 VanDerWaalsContact CG2-OH 3.28Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.3Å
74	R	95.3	Very high	96.5	Very high	79 Å²	79	46.3 Å²	46.3	30%	0.298	22%	0.223	S	C	.	.	S	Bend	trans	-133.5	109.1	-170.4	-72.7	-178.6	-174.5	179.1	2.2	110.7	Y70 C71 D72 E76 L77 K78	Y70-R74 VanDerWaalsContact CZ-CZ 3.44Å; Y70-R74 VanDerWaalsContact CZ-NH1 3.31Å; Y70-R74 PolarHBondContact OH-NH1 3.3Å; Y70-R74 PolarHBondContact OH-NH2 2.85Å; C71-R74 CarbonylContact O-C 3.57Å; C71-R74 PolarHBondContact O-N 2.49Å; D72-R74 PolarHBondContact O-N 3.15Å; R74-E76 WeakPolarHBondContact CB-OE1 3.44Å; R74-E76 PolarHBondContact O-N 2.89Å; R74-E76 VanDerWaalsContact O-N 3.12Å; R74-L77 HydrophobicContact CB-CB 4.18Å; R74-L77 HydrophobicContact CB-CD1 4.18Å; R74-L77 HydrophobicContact CB-CG 4.01Å; R74-L77 PolarHBondContact O-N 3.14Å; R74-K78 WeakPolarHBondContact O-CB 3.41Å; R74-K78 PolarHBondContact O-N 2.83Å
75	P	93.9	Very high	96.4	Very high	97 Å²	97	43.7 Å²	43.7	63%	0.63	22%	0.217	S	C	*	.	H	α-helix	trans	-53.9	-35.8	-174.7	-28	35.5	0	0	0	114.4	R79	P75-R79 VanDerWaalsContact O-CG 3.3Å; P75-R79 WeakPolarHBondContact O-CG 3.34Å; P75-R79 PolarHBondContact O-N 3.14Å; P75-R79 PolarHBondContact O-NE 2.94Å
76	E	93.6	Very high	96.3	Very high	80 Å²	80	41.9 Å²	41.9	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-65	-45	177.7	71.5	-73.1	-179.5	0	0	112.6	R74	R74-E76 WeakPolarHBondContact CB-OE1 3.44Å; R74-E76 PolarHBondContact O-N 2.89Å; R74-E76 VanDerWaalsContact O-N 3.12Å
77	L	95.8	Very high	96.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-75	-37	179	-56.5	-171.6	0	0	0	111.4	Y70 C71 R74 R79 C80 I81 Y152 L153 P157	Y70-L77 HydrophobicContact CD1-CD1 4.35Å; Y70-L77 HydrophobicContact CE1-CD1 3.86Å; C71-L77 HydrophobicContact CB-CB 3.77Å; R74-L77 HydrophobicContact CB-CB 4.18Å; R74-L77 HydrophobicContact CB-CD1 4.18Å; R74-L77 HydrophobicContact CB-CG 4.01Å; R74-L77 PolarHBondContact O-N 3.14Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 2.82Å; L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 2.83Å; L77-C80 VanDerWaalsContact O-N 3.14Å; L77-I81 PolarHBondContact O-N 2.75Å; L77-I81 VanDerWaalsContact O-N 3.09Å; L77-Y152 HydrophobicContact CD2-CE1 3.8Å; L77-L153 HydrophobicContact CD2-CD2 4.32Å; L77-P157 HydrophobicContact CD1-CB 4.06Å; L77-P157 HydrophobicContact CD2-CB 3.79Å; L77-P157 HydrophobicContact CD2-CG 3.7Å
78	K	95.7	Very high	95.9	Very high	71 Å²	71	43.7 Å²	43.7	31%	0.309	23%	0.227	S	C	.	.	H	α-helix	trans	-56.2	-46.2	177.1	177.2	162	176.2	43.4	0	111.5	C71 D72 R74 C80 I81 D82	C71-K78 PolarHBondContact O-N 2.82Å; D72-K78 IonicContact OD1-NZ 3.05Å; R74-K78 WeakPolarHBondContact O-CB 3.41Å; R74-K78 PolarHBondContact O-N 2.83Å; K78-C80 VanDerWaalsContact C-N 3.29Å; K78-C80 PolarHBondContact O-N 2.69Å; K78-I81 PolarHBondContact O-N 3.36Å; K78-I81 VanDerWaalsContact O-N 3.11Å; K78-D82 WeakPolarHBondContact CE-OD2 3.46Å; K78-D82 WeakPolarHBondContact CG-OD2 3.09Å; K78-D82 VanDerWaalsContact NZ-CG 3.28Å; K78-D82 IonicContact NZ-OD1 3.1Å; K78-D82 PolarHBondContact NZ-OD1 3.46Å; K78-D82 IonicContact NZ-OD2 3.92Å; K78-D82 PolarHBondContact NZ-OD2 3.4Å; K78-D82 VanDerWaalsContact O-CG 3.26Å; K78-D82 PolarHBondContact O-N 2.9Å
79	R	95.2	Very high	95.7	Very high	78 Å²	78	47.2 Å²	47.2	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-36.9	177.5	-70.1	179.6	-61.9	163.9	11.7	112.7	P75 L77 F83 A115 H117 L118	P75-R79 VanDerWaalsContact O-CG 3.3Å; P75-R79 WeakPolarHBondContact O-CG 3.34Å; P75-R79 PolarHBondContact O-N 3.14Å; P75-R79 PolarHBondContact O-NE 2.94Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 2.82Å; R79-F83 WeakPolarHBondContact O-CB 3.32Å; R79-F83 PolarHBondContact O-N 3.2Å; R79-A115 WeakPolarHBondContact CD-O 3.43Å; R79-A115 PolarHBondContact NH1-O 3Å; R79-A115 VanDerWaalsContact NH1-O 3.14Å; R79-H117 PolarHBondContact NH1-O 3.19Å; R79-H117 VanDerWaalsContact NH1-O 3.13Å; R79-L118 HydrophobicContact CB-CD2 4.21Å
80	C	96.2	Very high	95.5	Very high	10 Å²	10	44.4 Å²	44.4	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-45	173.3	-64.8	0	0	0	0	111.9	L77 K78 F83 M84 V149 L153	L77-C80 WeakPolarHBondContact O-CB 3.49Å; L77-C80 PolarHBondContact O-N 2.83Å; L77-C80 VanDerWaalsContact O-N 3.14Å; K78-C80 VanDerWaalsContact C-N 3.29Å; K78-C80 PolarHBondContact O-N 2.69Å; C80-F83 PolarHBondContact O-N 3.31Å; C80-M84 VanDerWaalsContact O-CG 3.23Å; C80-M84 WeakPolarHBondContact O-CG 3.36Å; C80-M84 PolarHBondContact O-N 3.34Å; C80-M84 VanDerWaalsContact O-N 3.13Å; C80-V149 HydrophobicContact CB-CG1 3.65Å; C80-L153 HydrophobicContact CB-CD1 4.28Å; C80-L153 HydrophobicContact CB-CD2 4.1Å; C80-L153 HydrophobicContact CB-CG 4.36Å
81	I	96.5	Very high	95.2	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.062	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-44.9	177.9	-61.6	-58.5	0	0	0	111.1	F67 R68 C71 L77 K78 F83 M84 D85 L153	F67-I81 HydrophobicContact CE1-CD1 4.42Å; R68-I81 HydrophobicContact CG-CG2 4.07Å; C71-I81 HydrophobicContact CB-CG1 3.74Å; L77-I81 PolarHBondContact O-N 2.75Å; L77-I81 VanDerWaalsContact O-N 3.09Å; K78-I81 PolarHBondContact O-N 3.36Å; K78-I81 VanDerWaalsContact O-N 3.11Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.23Å; I81-M84 WeakPolarHBondContact O-CB 3.11Å; I81-M84 PolarHBondContact O-N 2.91Å; I81-M84 VanDerWaalsContact O-N 3.15Å; I81-D85 PolarHBondContact O-N 3.44Å; I81-L153 HydrophobicContact CD1-CD1 3.96Å
82	D	96.4	Very high	94.9	Very high	51 Å²	51	49.6 Å²	49.6	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-37.7	179.7	-66	-20.3	0	0	0	111.2	K78 D85 A86 Y109	K78-D82 WeakPolarHBondContact CE-OD2 3.46Å; K78-D82 WeakPolarHBondContact CG-OD2 3.09Å; K78-D82 VanDerWaalsContact NZ-CG 3.28Å; K78-D82 IonicContact NZ-OD1 3.1Å; K78-D82 PolarHBondContact NZ-OD1 3.46Å; K78-D82 IonicContact NZ-OD2 3.92Å; K78-D82 PolarHBondContact NZ-OD2 3.4Å; K78-D82 VanDerWaalsContact O-CG 3.26Å; K78-D82 PolarHBondContact O-N 2.9Å; D82-D85 PolarHBondContact O-N 3.07Å; D82-A86 WeakPolarHBondContact O-CB 3.47Å; D82-A86 PolarHBondContact O-N 3.07Å; D82-Y109 HydrophobicContact CB-CE1 4.4Å; D82-Y109 PolarHBondContact O-OH 2.95Å; D82-Y109 VanDerWaalsContact O-OH 3.07Å
83	F	97	Very high	94.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-47.7	171.8	168.6	-105.4	0	0	0	112.4	R79 C80 I81 D85 A86 V87 V105 Y109 F110 L118 C145 V149	R79-F83 WeakPolarHBondContact O-CB 3.32Å; R79-F83 PolarHBondContact O-N 3.2Å; C80-F83 PolarHBondContact O-N 3.31Å; I81-F83 VanDerWaalsContact C-N 3.29Å; I81-F83 PolarHBondContact O-N 3.23Å; F83-D85 VanDerWaalsContact C-N 3.25Å; F83-D85 PolarHBondContact O-N 3.43Å; F83-A86 WeakPolarHBondContact O-CB 3.43Å; F83-A86 PolarHBondContact O-N 3.45Å; F83-A86 VanDerWaalsContact O-N 3.11Å; F83-V87 HydrophobicContact CD2-CG2 4.18Å; F83-V87 HydrophobicContact CE1-CG2 4.02Å; F83-V87 HydrophobicContact CE2-CG2 3.59Å; F83-V87 HydrophobicContact CZ-CG2 3.49Å; F83-V87 VanDerWaalsContact CZ-CG2 3.49Å; F83-V87 WeakPolarHBondContact O-CG2 3.27Å; F83-V87 PolarHBondContact O-N 3.06Å; F83-V105 HydrophobicContact CD2-CG1 4.27Å; F83-V105 HydrophobicContact CE2-CG1 3.84Å; F83-Y109 HydrophobicContact CB-CD1 3.72Å; F83-Y109 HydrophobicContact CB-CD2 4.43Å; F83-Y109 HydrophobicContact CB-CE1 3.74Å; F83-Y109 HydrophobicContact CB-CE2 4.45Å; F83-Y109 HydrophobicContact CB-CG 4.08Å; F83-Y109 HydrophobicContact CD2-CD1 4.21Å; F83-Y109 AromaticContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CE2 4.35Å; F83-Y109 AromaticContact CD2-CG 3.68Å; F83-Y109 HydrophobicContact CD2-CG 3.68Å; F83-Y109 HydrophobicContact CG-CD1 4.41Å; F83-Y109 HydrophobicContact CG-CG 4.32Å; F83-Y109 PolarHBondContact N-OH 3.44Å; F83-F110 HydrophobicContact CD2-CZ 4.19Å; F83-F110 HydrophobicContact CE2-CE1 4.29Å; F83-F110 AromaticContact CE2-CE2 3.98Å; F83-F110 HydrophobicContact CE2-CE2 3.98Å; F83-F110 AromaticContact CE2-CZ 3.4Å; F83-F110 HydrophobicContact CE2-CZ 3.4Å; F83-F110 VanDerWaalsContact CE2-CZ 3.4Å; F83-F110 AromaticContact CZ-CZ 3.74Å; F83-F110 HydrophobicContact CZ-CZ 3.74Å; F83-L118 HydrophobicContact CB-CD1 3.72Å; F83-L118 HydrophobicContact CD1-CD1 3.89Å; F83-L118 HydrophobicContact CD2-CD1 4.05Å; F83-L118 HydrophobicContact CG-CD1 3.59Å; F83-C145 HydrophobicContact CE1-CB 4.11Å; F83-C145 HydrophobicContact CZ-CB 3.61Å; F83-V149 HydrophobicContact CD1-CB 4.37Å; F83-V149 HydrophobicContact CD1-CG1 4.48Å; F83-V149 HydrophobicContact CD1-CG2 3.76Å; F83-V149 HydrophobicContact CE1-CG2 3.86Å
84	M	96.2	Very high	94.2	Very high	41 Å²	41	44.2 Å²	44.2	20%	0.202	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-38	178.9	-64.1	-72.2	-72.4	0	0	111.4	C80 I81 V87 A88 T146 V149	C80-M84 VanDerWaalsContact O-CG 3.23Å; C80-M84 WeakPolarHBondContact O-CG 3.36Å; C80-M84 PolarHBondContact O-N 3.34Å; C80-M84 VanDerWaalsContact O-N 3.13Å; I81-M84 WeakPolarHBondContact O-CB 3.11Å; I81-M84 PolarHBondContact O-N 2.91Å; I81-M84 VanDerWaalsContact O-N 3.15Å; M84-V87 PolarHBondContact O-N 3.45Å; M84-A88 PolarHBondContact O-N 3.04Å; M84-A88 VanDerWaalsContact O-N 3.07Å; M84-T146 HydrophobicContact CE-CG2 3.45Å; M84-T146 VanDerWaalsContact CE-CG2 3.45Å; M84-T146 HydrophobicContact SD-CG2 3.62Å; M84-V149 HydrophobicContact CG-CG1 4.04Å; M84-V149 HydrophobicContact SD-CB 4.18Å; M84-V149 HydrophobicContact SD-CG1 4.03Å
85	D	95.7	Very high	93.7	Very high	55 Å²	55	45.5 Å²	45.5	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-67.6	-40.1	174.6	-73.6	-17.6	0	0	0	112	R68 I81 D82 F83 V87 A88 M89	R68-D85 IonicContact CZ-OD1 3.16Å; R68-D85 VanDerWaalsContact CZ-OD1 3.3Å; R68-D85 IonicContact CZ-OD2 2.88Å; R68-D85 VanDerWaalsContact NH1-CG 3.32Å; R68-D85 IonicContact NH1-OD1 2.83Å; R68-D85 PolarHBondContact NH1-OD1 2.8Å; R68-D85 IonicContact NH1-OD2 3.83Å; R68-D85 PolarHBondContact NH1-OD2 3.11Å; R68-D85 IonicContact NH2-OD1 2.85Å; R68-D85 PolarHBondContact NH2-OD1 3.29Å; R68-D85 IonicContact NH2-OD2 3.46Å; I81-D85 PolarHBondContact O-N 3.44Å; D82-D85 PolarHBondContact O-N 3.07Å; F83-D85 VanDerWaalsContact C-N 3.25Å; F83-D85 PolarHBondContact O-N 3.43Å; D85-V87 PolarHBondContact O-N 3.33Å; D85-A88 PolarHBondContact O-N 2.83Å; D85-M89 WeakPolarHBondContact O-CG 3.46Å; D85-M89 PolarHBondContact O-N 2.9Å
86	A	96.5	Very high	93.5	Very high	23 Å²	23	49.2 Å²	49.2	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-39.4	175.9	0	0	0	0	0	112.3	D82 F83 M89 Y90 V105 Y109	D82-A86 WeakPolarHBondContact O-CB 3.47Å; D82-A86 PolarHBondContact O-N 3.07Å; F83-A86 WeakPolarHBondContact O-CB 3.43Å; F83-A86 PolarHBondContact O-N 3.45Å; F83-A86 VanDerWaalsContact O-N 3.11Å; A86-M89 PolarHBondContact O-N 2.9Å; A86-Y90 PolarHBondContact O-N 3.18Å; A86-V105 HydrophobicContact CB-CG2 4.07Å; A86-Y109 HydrophobicContact CB-CE2 3.63Å
87	V	95.5	Very high	93.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-40.9	173.8	174	0	0	0	0	111.4	F83 M84 D85 M89 Y90 Q91 V105 F142	F83-V87 HydrophobicContact CD2-CG2 4.18Å; F83-V87 HydrophobicContact CE1-CG2 4.02Å; F83-V87 HydrophobicContact CE2-CG2 3.59Å; F83-V87 HydrophobicContact CZ-CG2 3.49Å; F83-V87 VanDerWaalsContact CZ-CG2 3.49Å; F83-V87 WeakPolarHBondContact O-CG2 3.27Å; F83-V87 PolarHBondContact O-N 3.06Å; M84-V87 PolarHBondContact O-N 3.45Å; D85-V87 PolarHBondContact O-N 3.33Å; V87-M89 VanDerWaalsContact C-N 3.3Å; V87-M89 PolarHBondContact O-N 2.8Å; V87-Y90 WeakPolarHBondContact O-CB 3.23Å; V87-Y90 PolarHBondContact O-N 2.99Å; V87-Q91 WeakPolarHBondContact O-CG 3.43Å; V87-Q91 PolarHBondContact O-N 3.2Å; V87-V105 HydrophobicContact CG2-CG1 4.43Å; V87-F142 HydrophobicContact CG1-CB 3.88Å; V87-F142 HydrophobicContact CG2-CB 3.79Å; V87-F142 HydrophobicContact CG2-CD2 4.25Å; V87-F142 HydrophobicContact CG2-CG 4.1Å
88	A	92.5	Very high	93.1	Very high	41 Å²	41	52.4 Å²	52.4	34%	0.339	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-41	174.9	0	0	0	0	0	111.5	M84 D85 Q91 L92	M84-A88 PolarHBondContact O-N 3.04Å; M84-A88 VanDerWaalsContact O-N 3.07Å; D85-A88 PolarHBondContact O-N 2.83Å; A88-Q91 PolarHBondContact O-N 3.3Å; A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 2.95Å
89	M	93.3	Very high	93	Very high	124 Å²	124	54.2 Å²	54.2	61%	0.611	27%	0.27	S	S	*	.	H	α-helix	trans	-64.7	-38.5	174.4	-68.2	-59.1	-65.2	0	0	112.5	D85 A86 V87 L92 A93	D85-M89 WeakPolarHBondContact O-CG 3.46Å; D85-M89 PolarHBondContact O-N 2.9Å; A86-M89 PolarHBondContact O-N 2.9Å; V87-M89 VanDerWaalsContact C-N 3.3Å; V87-M89 PolarHBondContact O-N 2.8Å; M89-L92 PolarHBondContact O-N 3.13Å; M89-A93 PolarHBondContact O-N 3.26Å
90	Y	94	Very high	92.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-43.7	173.4	169	-92.6	0	0	0	112.4	A86 V87 L92 A93 R98 C101 L133 C138 L141 F142	A86-Y90 PolarHBondContact O-N 3.18Å; V87-Y90 WeakPolarHBondContact O-CB 3.23Å; V87-Y90 PolarHBondContact O-N 2.99Å; Y90-L92 PolarHBondContact O-N 3.28Å; Y90-A93 VanDerWaalsContact O-CB 3.29Å; Y90-A93 WeakPolarHBondContact O-CB 3.21Å; Y90-A93 PolarHBondContact O-N 2.91Å; Y90-A93 VanDerWaalsContact O-N 3.13Å; Y90-R98 HydrophobicContact CD2-CG 4.14Å; Y90-R98 HydrophobicContact CE1-CG 4.4Å; Y90-R98 HydrophobicContact CE2-CG 3.42Å; Y90-R98 VanDerWaalsContact CE2-CG 3.42Å; Y90-R98 VanDerWaalsContact CE2-O 3.24Å; Y90-R98 WeakPolarHBondContact CE2-O 3.39Å; Y90-C101 VanDerWaalsContact CA-SG 3.53Å; Y90-C101 HydrophobicContact CD2-CB 4.15Å; Y90-L133 HydrophobicContact CE2-CD1 4.42Å; Y90-C138 VanDerWaalsContact CE1-O 3.32Å; Y90-C138 WeakPolarHBondContact CE1-O 3.36Å; Y90-C138 PolarHBondContact OH-O 2.9Å; Y90-L141 HydrophobicContact CE1-CB 3.94Å; Y90-L141 HydrophobicContact CE1-CD2 4.5Å; Y90-L141 HydrophobicContact CE2-CD2 4.37Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.42Å; Y90-F142 AromaticContact CD1-CD2 3.77Å; Y90-F142 HydrophobicContact CD1-CD2 3.77Å; Y90-F142 AromaticContact CD1-CE2 3.94Å; Y90-F142 HydrophobicContact CD1-CE2 3.94Å; Y90-F142 AromaticContact CD2-CE2 3.92Å; Y90-F142 HydrophobicContact CD2-CE2 3.92Å; Y90-F142 HydrophobicContact CE1-CD2 4.01Å; Y90-F142 HydrophobicContact CE1-CE2 4.08Å; Y90-F142 HydrophobicContact CE2-CE2 4.03Å; Y90-F142 HydrophobicContact CG-CD2 4.09Å; Y90-F142 AromaticContact CG-CE2 3.87Å; Y90-F142 HydrophobicContact CG-CE2 3.87Å
91	Q	90.9	Very high	92.9	Very high	66 Å²	66	56.8 Å²	56.8	31%	0.308	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-29.2	178.9	-72.6	175.8	-15	0	0	112.9	V87 A88 K139	V87-Q91 WeakPolarHBondContact O-CG 3.43Å; V87-Q91 PolarHBondContact O-N 3.2Å; A88-Q91 PolarHBondContact O-N 3.3Å; Q91-K139 WeakPolarHBondContact CG-O 3.5Å
92	L	90.4	Very high	92.8	Very high	48 Å²	48	56.2 Å²	56.2	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-88.6	-10.7	177.5	-63.8	174.5	0	0	0	113.5	A88 M89 Y90 A458 M460	A88-L92 WeakPolarHBondContact O-CG 3.46Å; A88-L92 PolarHBondContact O-N 2.95Å; M89-L92 PolarHBondContact O-N 3.13Å; Y90-L92 PolarHBondContact O-N 3.28Å; L92-A458 HydrophobicContact CD2-CB 3.61Å; L92-M460 HydrophobicContact CB-SD 4.3Å; L92-M460 HydrophobicContact CD1-SD 4.03Å; L92-M460 HydrophobicContact CD2-SD 4.22Å; L92-M460 HydrophobicContact CG-SD 4.42Å
93	A	90.3	Very high	92.7	Very high	10 Å²	10	56.9 Å²	56.9	8%	0.083	29%	0.292	C	S	.	.	S	Bend	trans	-62.5	137.5	-178.4	0	0	0	0	0	111.4	M89 Y90 R98 C101	M89-A93 PolarHBondContact O-N 3.26Å; Y90-A93 VanDerWaalsContact O-CB 3.29Å; Y90-A93 WeakPolarHBondContact O-CB 3.21Å; Y90-A93 PolarHBondContact O-N 2.91Å; Y90-A93 VanDerWaalsContact O-N 3.13Å; A93-R98 PolarHBondContact O-NH2 2.89Å; A93-C101 HydrophobicContact CB-CB 4.27Å
94	P	87.2	Confident	92.6	Very high	37 Å²	37	61.7 Å²	61.7	24%	0.24	32%	0.317	C	S	.	.			trans	-53.1	149.6	167.4	-20.8	29.9	0	0	0	111	E96 K97 R98	P94-E96 PolarHBondContact O-N 3.44Å; P94-K97 CarbonylContact O-C 3.22Å; P94-K97 PolarHBondContact O-N 3.43Å; P94-R98 PolarHBondContact O-N 3.33Å
95	D	85.6	Confident	92.6	Very high	106 Å²	106	60 Å²	60	57%	0.567	31%	0.309	S	S	*	.	H	α-helix	trans	-54.1	-42.4	-177.1	-70.1	23.4	0	0	0	111.8	K97 R98	D95-K97 VanDerWaalsContact C-N 3.28Å; D95-K97 PolarHBondContact O-N 3.4Å; D95-R98 VanDerWaalsContact CG-NH1 3.31Å; D95-R98 WeakPolarHBondContact O-CB 3.47Å; D95-R98 PolarHBondContact O-N 3.23Å; D95-R98 IonicContact OD1-CZ 2.85Å; D95-R98 VanDerWaalsContact OD1-CZ 3.24Å; D95-R98 IonicContact OD1-NH1 3.58Å; D95-R98 PolarHBondContact OD1-NH1 2.92Å; D95-R98 IonicContact OD1-NH2 3.58Å; D95-R98 PolarHBondContact OD1-NH2 3.12Å; D95-R98 IonicContact OD2-NH1 2.67Å
96	E	89.1	Confident	92.5	Very high	176 Å²	176	57.4 Å²	57.4	82%	0.822	30%	0.295	S	S	*	.	H	α-helix	trans	-60.3	-31.8	177.4	-60.9	149.5	-175.8	0	0	113.7	P94	P94-E96 PolarHBondContact O-N 3.44Å
97	K	90.9	Very high	92.4	Very high	134 Å²	134	60.1 Å²	60.1	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-102	-5.3	-177.1	-64.5	-171.8	177.7	-176.6	0	113.1	P94 D95 R99 D100 C101	P94-K97 CarbonylContact O-C 3.22Å; P94-K97 PolarHBondContact O-N 3.43Å; D95-K97 VanDerWaalsContact C-N 3.28Å; D95-K97 PolarHBondContact O-N 3.4Å; K97-R99 VanDerWaalsContact C-N 3.34Å; K97-R99 PolarHBondContact O-N 3Å; K97-D100 PolarHBondContact O-N 3.17Å; K97-C101 WeakPolarHBondContact O-CB 3Å; K97-C101 PolarHBondContact O-N 3.34Å
98	R	91	Very high	92.4	Very high	13 Å²	13	62 Å²	62	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-41.8	-172.8	-174.1	172.3	-63.9	123.5	14.2	111.4	Y90 A93 P94 D95 C101 G102 P137	Y90-R98 HydrophobicContact CD2-CG 4.14Å; Y90-R98 HydrophobicContact CE1-CG 4.4Å; Y90-R98 HydrophobicContact CE2-CG 3.42Å; Y90-R98 VanDerWaalsContact CE2-CG 3.42Å; Y90-R98 VanDerWaalsContact CE2-O 3.24Å; Y90-R98 WeakPolarHBondContact CE2-O 3.39Å; A93-R98 PolarHBondContact O-NH2 2.89Å; P94-R98 PolarHBondContact O-N 3.33Å; D95-R98 VanDerWaalsContact CG-NH1 3.31Å; D95-R98 WeakPolarHBondContact O-CB 3.47Å; D95-R98 PolarHBondContact O-N 3.23Å; D95-R98 IonicContact OD1-CZ 2.85Å; D95-R98 VanDerWaalsContact OD1-CZ 3.24Å; D95-R98 IonicContact OD1-NH1 3.58Å; D95-R98 PolarHBondContact OD1-NH1 2.92Å; D95-R98 IonicContact OD1-NH2 3.58Å; D95-R98 PolarHBondContact OD1-NH2 3.12Å; D95-R98 IonicContact OD2-NH1 2.67Å; R98-C101 PolarHBondContact O-N 3.39Å; R98-G102 PolarHBondContact O-N 2.85Å; R98-P137 WeakPolarHBondContact CD-O 3.45Å; R98-P137 HydrophobicContact CG-CB 4.05Å
99	R	93.1	Very high	92.5	Very high	110 Å²	110	61.2 Å²	61.2	42%	0.415	31%	0.307	S	S	.	.	H	α-helix	trans	-58.8	-52.1	179.4	-169.8	-179.8	-179	110.5	-2	111.6	K97 C101 G102 L103 E134 P137	K97-R99 VanDerWaalsContact C-N 3.34Å; K97-R99 PolarHBondContact O-N 3Å; R99-C101 VanDerWaalsContact C-N 3.33Å; R99-C101 PolarHBondContact O-N 2.9Å; R99-G102 PolarHBondContact O-N 3.31Å; R99-G102 VanDerWaalsContact O-N 3.14Å; R99-L103 PolarHBondContact O-N 3.35Å; R99-E134 PolarHBondContact NH1-O 3.28Å; R99-P137 HydrophobicContact CB-CG 4.28Å
100	D	93.6	Very high	92.5	Very high	108 Å²	108	55.6 Å²	55.6	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-62.7	-40.5	-179.6	-61.4	-18.6	0	0	0	112	K97 G102 L103 N104	K97-D100 PolarHBondContact O-N 3.17Å; D100-G102 VanDerWaalsContact C-N 3.34Å; D100-G102 PolarHBondContact O-N 3.36Å; D100-L103 PolarHBondContact O-N 3.12Å; D100-N104 PolarHBondContact O-N 3.1Å
101	C	94.4	Very high	92.2	Very high	33 Å²	33	59.6 Å²	59.6	22%	0.223	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-42	175.1	-171.7	0	0	0	0	111.6	Y90 A93 K97 R98 R99 N104 V105	Y90-C101 VanDerWaalsContact CA-SG 3.53Å; Y90-C101 HydrophobicContact CD2-CB 4.15Å; A93-C101 HydrophobicContact CB-CB 4.27Å; K97-C101 WeakPolarHBondContact O-CB 3Å; K97-C101 PolarHBondContact O-N 3.34Å; R98-C101 PolarHBondContact O-N 3.39Å; R99-C101 VanDerWaalsContact C-N 3.33Å; R99-C101 PolarHBondContact O-N 2.9Å; C101-N104 PolarHBondContact O-N 3.13Å; C101-V105 WeakPolarHBondContact O-CG2 3.47Å; C101-V105 PolarHBondContact O-N 2.82Å
102	G	95.1	Very high	91.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.8	0	0	0	0	0	112.7	R98 R99 D100 V105 L106	R98-G102 PolarHBondContact O-N 2.85Å; R99-G102 PolarHBondContact O-N 3.31Å; R99-G102 VanDerWaalsContact O-N 3.14Å; D100-G102 VanDerWaalsContact C-N 3.34Å; D100-G102 PolarHBondContact O-N 3.36Å; G102-V105 PolarHBondContact O-N 2.81Å; G102-L106 WeakPolarHBondContact O-CG 3.46Å; G102-L106 PolarHBondContact O-N 3.2Å
103	L	94.6	Very high	90.9	Very high	66 Å²	66	63.3 Å²	63.3	35%	0.346	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-45	174.9	-72.3	173	0	0	0	111	R99 D100 V105 L106 D107 L133	R99-L103 PolarHBondContact O-N 3.35Å; D100-L103 PolarHBondContact O-N 3.12Å; L103-V105 VanDerWaalsContact C-N 3.33Å; L103-V105 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 3.27Å; L103-L106 VanDerWaalsContact O-N 3.15Å; L103-D107 WeakPolarHBondContact O-CB 3.42Å; L103-D107 VanDerWaalsContact O-CG 3.31Å; L103-D107 PolarHBondContact O-N 2.92Å; L103-L133 HydrophobicContact CD2-CD2 3.8Å; L103-L133 HydrophobicContact CG-CD2 3.87Å
104	N	95.1	Very high	90.7	Very high	101 Å²	101	64.4 Å²	64.4	54%	0.54	35%	0.346	S	S	.	.	H	α-helix	trans	-60.1	-41.5	177.2	-171.1	10.4	0	0	0	112.4	D100 C101 T108	D100-N104 PolarHBondContact O-N 3.1Å; C101-N104 PolarHBondContact O-N 3.13Å; N104-T108 WeakPolarHBondContact O-CB 3.35Å; N104-T108 PolarHBondContact O-N 3.32Å; N104-T108 PolarHBondContact O-OG1 3.47Å; N104-T108 PolarHBondContact OD1-OG1 3.46Å; N104-T108 VanDerWaalsContact OD1-OG1 3.1Å
105	V	96	Very high	90.4	Very high	6 Å²	6	67 Å²	67	4%	0.036	37%	0.372	C	S	.	.	H	α-helix	trans	-61.1	-47.7	174.1	172.9	0	0	0	0	110.7	F83 A86 V87 C101 G102 L103 D107 Y109 F142	F83-V105 HydrophobicContact CD2-CG1 4.27Å; F83-V105 HydrophobicContact CE2-CG1 3.84Å; A86-V105 HydrophobicContact CB-CG2 4.07Å; V87-V105 HydrophobicContact CG2-CG1 4.43Å; C101-V105 WeakPolarHBondContact O-CG2 3.47Å; C101-V105 PolarHBondContact O-N 2.82Å; G102-V105 PolarHBondContact O-N 2.81Å; L103-V105 VanDerWaalsContact C-N 3.33Å; L103-V105 PolarHBondContact O-N 2.86Å; V105-D107 PolarHBondContact O-N 3.44Å; V105-Y109 HydrophobicContact CG1-CD2 4.27Å; V105-Y109 WeakPolarHBondContact O-CD2 3.3Å; V105-Y109 PolarHBondContact O-N 3.29Å; V105-F142 HydrophobicContact CB-CE1 4.46Å; V105-F142 HydrophobicContact CB-CE2 4.09Å; V105-F142 HydrophobicContact CB-CZ 3.84Å; V105-F142 HydrophobicContact CG1-CD1 4.3Å; V105-F142 HydrophobicContact CG1-CD2 4.4Å; V105-F142 HydrophobicContact CG1-CE1 3.87Å; V105-F142 HydrophobicContact CG1-CE2 3.98Å; V105-F142 HydrophobicContact CG1-CZ 3.7Å; V105-F142 HydrophobicContact CG2-CE2 4.43Å
106	L	94.3	Very high	90.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-42.7	-179.3	-71.6	162.5	0	0	0	112.5	G102 L103 F110 C129 R130 L133 F142	G102-L106 WeakPolarHBondContact O-CG 3.46Å; G102-L106 PolarHBondContact O-N 3.2Å; L103-L106 PolarHBondContact O-N 3.27Å; L103-L106 VanDerWaalsContact O-N 3.15Å; L106-F110 HydrophobicContact CD2-CD2 3.81Å; L106-F110 HydrophobicContact CD2-CE2 4.28Å; L106-F110 CarbonylContact O-C 3.51Å; L106-F110 WeakPolarHBondContact O-CA 3.31Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 2.86Å; L106-C129 HydrophobicContact CD2-CB 3.94Å; L106-R130 HydrophobicContact CD1-CG 3.95Å; L106-R130 HydrophobicContact CD2-CG 3.99Å; L106-R130 PolarHBondContact O-NH2 2.97Å; L106-L133 HydrophobicContact CD1-CD2 3.44Å; L106-L133 VanDerWaalsContact CD1-CD2 3.44Å; L106-F142 HydrophobicContact CD2-CE1 3.84Å; L106-F142 HydrophobicContact CD2-CZ 4.43Å; L106-F142 HydrophobicContact CG-CE1 3.99Å; L106-F142 HydrophobicContact CG-CZ 4.09Å
107	D	93.4	Very high	90.6	Very high	79 Å²	79	56 Å²	56	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-76.5	-35.2	-176.3	-66.7	-16.3	0	0	0	112	L103 V105 N111 R130	L103-D107 WeakPolarHBondContact O-CB 3.42Å; L103-D107 VanDerWaalsContact O-CG 3.31Å; L103-D107 PolarHBondContact O-N 2.92Å; V105-D107 PolarHBondContact O-N 3.44Å; D107-N111 WeakPolarHBondContact O-CB 3.48Å; D107-R130 IonicContact OD1-NH1 3.98Å; D107-R130 PolarHBondContact OD1-NH1 2.85Å; D107-R130 IonicContact OD1-NH2 3.28Å
108	T	94.7	Very high	90.6	Very high	44 Å²	44	50.1 Å²	50.1	27%	0.27	30%	0.295	S	S	.	.	H	α-helix	trans	-71.7	-43.6	178.4	-60.8	0	0	0	0	112	N104 S114 A116	N104-T108 WeakPolarHBondContact O-CB 3.35Å; N104-T108 PolarHBondContact O-N 3.32Å; N104-T108 PolarHBondContact O-OG1 3.47Å; N104-T108 PolarHBondContact OD1-OG1 3.46Å; N104-T108 VanDerWaalsContact OD1-OG1 3.1Å; T108-S114 WeakPolarHBondContact O-CB 3.4Å; T108-S114 PolarHBondContact O-OG 2.55Å; T108-A116 HydrophobicContact CG2-CB 3.89Å
109	Y	95.4	Very high	90.2	Very high	24 Å²	24	53.1 Å²	53.1	9%	0.094	32%	0.317	C	S	.	.	H	α-helix	trans	-105.8	-20.2	-169	-63	-78.2	0	0	0	114.3	D82 F83 A86 V105 A116 H117 L118	D82-Y109 HydrophobicContact CB-CE1 4.4Å; D82-Y109 PolarHBondContact O-OH 2.95Å; D82-Y109 VanDerWaalsContact O-OH 3.07Å; F83-Y109 HydrophobicContact CB-CD1 3.72Å; F83-Y109 HydrophobicContact CB-CD2 4.43Å; F83-Y109 HydrophobicContact CB-CE1 3.74Å; F83-Y109 HydrophobicContact CB-CE2 4.45Å; F83-Y109 HydrophobicContact CB-CG 4.08Å; F83-Y109 HydrophobicContact CD2-CD1 4.21Å; F83-Y109 AromaticContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CE2 4.35Å; F83-Y109 AromaticContact CD2-CG 3.68Å; F83-Y109 HydrophobicContact CD2-CG 3.68Å; F83-Y109 HydrophobicContact CG-CD1 4.41Å; F83-Y109 HydrophobicContact CG-CG 4.32Å; F83-Y109 PolarHBondContact N-OH 3.44Å; A86-Y109 HydrophobicContact CB-CE2 3.63Å; V105-Y109 HydrophobicContact CG1-CD2 4.27Å; V105-Y109 WeakPolarHBondContact O-CD2 3.3Å; V105-Y109 PolarHBondContact O-N 3.29Å; Y109-A116 HydrophobicContact CD1-CB 4.05Å; Y109-A116 WeakPolarHBondContact CD1-O 3.43Å; Y109-A116 HydrophobicContact CE1-CB 3.99Å; Y109-H117 WeakPolarHBondContact O-CA 3.46Å; Y109-H117 PolarHBondContact O-ND1 2.87Å; Y109-L118 HydrophobicContact CD1-CD1 4.41Å; Y109-L118 HydrophobicContact CD1-CG 4.42Å; Y109-L118 PolarHBondContact O-N 3.33Å
110	F	93	Very high	90	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-121	10.1	-174.8	-50.5	-49.8	0	0	0	114.5	F83 L106 L118 I121 I126 F142 C145	F83-F110 HydrophobicContact CD2-CZ 4.19Å; F83-F110 HydrophobicContact CE2-CE1 4.29Å; F83-F110 AromaticContact CE2-CE2 3.98Å; F83-F110 HydrophobicContact CE2-CE2 3.98Å; F83-F110 AromaticContact CE2-CZ 3.4Å; F83-F110 HydrophobicContact CE2-CZ 3.4Å; F83-F110 VanDerWaalsContact CE2-CZ 3.4Å; F83-F110 AromaticContact CZ-CZ 3.74Å; F83-F110 HydrophobicContact CZ-CZ 3.74Å; L106-F110 HydrophobicContact CD2-CD2 3.81Å; L106-F110 HydrophobicContact CD2-CE2 4.28Å; L106-F110 CarbonylContact O-C 3.51Å; L106-F110 WeakPolarHBondContact O-CA 3.31Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 2.86Å; F110-L118 HydrophobicContact CE1-CB 4.38Å; F110-L118 HydrophobicContact CE1-CD1 4.25Å; F110-I121 HydrophobicContact CD1-CB 4.38Å; F110-I121 HydrophobicContact CE1-CB 4.09Å; F110-I121 HydrophobicContact CE1-CG1 3.86Å; F110-I121 HydrophobicContact CE1-CG2 4.1Å; F110-I126 HydrophobicContact CB-CD1 3.9Å; F110-I126 HydrophobicContact CB-CG1 4.08Å; F110-I126 HydrophobicContact CB-CG2 3.8Å; F110-I126 HydrophobicContact CD1-CD1 3.93Å; F110-I126 HydrophobicContact CD1-CG1 4.02Å; F110-I126 HydrophobicContact CD2-CG1 4.28Å; F110-I126 HydrophobicContact CD2-CG2 4.34Å; F110-I126 HydrophobicContact CG-CD1 3.99Å; F110-I126 HydrophobicContact CG-CG1 3.86Å; F110-I126 HydrophobicContact CG-CG2 4.21Å; F110-F142 HydrophobicContact CE2-CD1 4.39Å; F110-F142 HydrophobicContact CE2-CE1 4.29Å; F110-C145 HydrophobicContact CZ-CB 4.09Å
111	N	88.4	Confident	89.9	Confident	85 Å²	85	49 Å²	49	46%	0.455	30%	0.302	S	S	.	.			trans	-93	128.1	169.3	-168.6	0.3	0	0	0	110.6	D107 G113 S114 H117	D107-N111 WeakPolarHBondContact O-CB 3.48Å; N111-G113 PolarHBondContact O-N 2.97Å; N111-S114 WeakPolarHBondContact O-CB 3.36Å; N111-S114 PolarHBondContact O-N 3.44Å; N111-H117 PolarHBondContact O-ND1 3.3Å
112	N	75.3	Confident	89.9	Confident	119 Å²	119	50 Å²	50	64%	0.636	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.8	-174.8	-69	-6.7	0	0	0	114	H117	N112-H117 PolarHBondContact OD1-CE1 3.21Å; N112-H117 PolarHBondContact OD1-NE2 2.84Å
113	G	77.7	Confident	89.7	Confident	72 Å²	72	55.2 Å²	55.2	74%	0.742	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.4	176.2	0	0	0	0	0	115.4	N111	N111-G113 PolarHBondContact O-N 2.97Å
114	S	85.9	Confident	89.7	Confident	33 Å²	33	56.4 Å²	56.4	23%	0.231	34%	0.34	C	S	.	.			trans	-82.5	137.3	-177.6	178.7	0	0	0	0	112.2	T108 N111 A116 H117	T108-S114 WeakPolarHBondContact O-CB 3.4Å; T108-S114 PolarHBondContact O-OG 2.55Å; N111-S114 WeakPolarHBondContact O-CB 3.36Å; N111-S114 PolarHBondContact O-N 3.44Å; S114-A116 PolarHBondContact O-N 3.17Å; S114-A116 PolarHBondContact OG-N 3.07Å; S114-A116 VanDerWaalsContact OG-N 3.12Å; S114-H117 WeakPolarHBondContact O-CB 3.39Å; S114-H117 PolarHBondContact O-N 3.28Å; S114-H117 VanDerWaalsContact O-N 3.08Å
115	A	82.6	Confident	89.7	Confident	93 Å²	93	52.1 Å²	52.1	77%	0.769	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.9	170.9	0	0	0	0	0	112.4	R79 H117	R79-A115 WeakPolarHBondContact CD-O 3.43Å; R79-A115 PolarHBondContact NH1-O 3Å; R79-A115 VanDerWaalsContact NH1-O 3.14Å; A115-H117 VanDerWaalsContact C-N 3.31Å
116	A	88.1	Confident	89.6	Confident	23 Å²	23	52 Å²	52	19%	0.19	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	7.2	178.5	0	0	0	0	0	113.7	T108 Y109 S114 L118	T108-A116 HydrophobicContact CG2-CB 3.89Å; Y109-A116 HydrophobicContact CD1-CB 4.05Å; Y109-A116 WeakPolarHBondContact CD1-O 3.43Å; Y109-A116 HydrophobicContact CE1-CB 3.99Å; S114-A116 PolarHBondContact O-N 3.17Å; S114-A116 PolarHBondContact OG-N 3.07Å; S114-A116 VanDerWaalsContact OG-N 3.12Å; A116-L118 PolarHBondContact O-N 2.79Å
117	H	90.1	Very high	89.5	Confident	27 Å²	27	54.6 Å²	54.6	13%	0.125	34%	0.338	C	S	.	.			trans	-57.4	134.1	-174.8	-177.8	56.1	0	0	0	113.4	R79 Y109 N111 N112 S114 A115 P119	R79-H117 PolarHBondContact NH1-O 3.19Å; R79-H117 VanDerWaalsContact NH1-O 3.13Å; Y109-H117 WeakPolarHBondContact O-CA 3.46Å; Y109-H117 PolarHBondContact O-ND1 2.87Å; N111-H117 PolarHBondContact O-ND1 3.3Å; N112-H117 PolarHBondContact OD1-CE1 3.21Å; N112-H117 PolarHBondContact OD1-NE2 2.84Å; S114-H117 WeakPolarHBondContact O-CB 3.39Å; S114-H117 PolarHBondContact O-N 3.28Å; S114-H117 VanDerWaalsContact O-N 3.08Å; A115-H117 VanDerWaalsContact C-N 3.31Å; H117-P119 WeakPolarHBondContact O-CD 3.38Å
118	L	91.1	Very high	89.5	Confident	11 Å²	11	55 Å²	55	6%	0.058	33%	0.333	C	S	.	.			trans	-102	95	174	-65.6	178.8	0	0	0	109.7	R79 F83 Y109 F110 A116 D120 I121 V149	R79-L118 HydrophobicContact CB-CD2 4.21Å; F83-L118 HydrophobicContact CB-CD1 3.72Å; F83-L118 HydrophobicContact CD1-CD1 3.89Å; F83-L118 HydrophobicContact CD2-CD1 4.05Å; F83-L118 HydrophobicContact CG-CD1 3.59Å; Y109-L118 HydrophobicContact CD1-CD1 4.41Å; Y109-L118 HydrophobicContact CD1-CG 4.42Å; Y109-L118 PolarHBondContact O-N 3.33Å; F110-L118 HydrophobicContact CE1-CB 4.38Å; F110-L118 HydrophobicContact CE1-CD1 4.25Å; A116-L118 PolarHBondContact O-N 2.79Å; L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 2.93Å; L118-I121 HydrophobicContact CB-CG1 4.05Å; L118-V149 HydrophobicContact CD1-CG2 4.1Å
119	P	82.8	Confident	89.5	Confident	76 Å²	76	53.1 Å²	53.1	49%	0.494	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-22.7	-172.2	29.8	-36.2	0	0	0	113.6	H117 I121	H117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-I121 VanDerWaalsContact C-N 3.27Å; P119-I121 PolarHBondContact O-N 2.84Å
120	D	87.5	Confident	89.5	Confident	122 Å²	122	55.9 Å²	55.9	65%	0.652	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.4	-172.9	-57	-52	0	0	0	113.6	L118	L118-D120 VanDerWaalsContact C-N 3.29Å; L118-D120 PolarHBondContact O-N 2.93Å
121	I	92.1	Very high	89.5	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.041	36%	0.355	C	S	.	.	S	Bend	trans	-85.4	122.4	176.7	-55.5	-62.5	0	0	0	109.3	F110 L118 P119 I126 I148 V149	F110-I121 HydrophobicContact CD1-CB 4.38Å; F110-I121 HydrophobicContact CE1-CB 4.09Å; F110-I121 HydrophobicContact CE1-CG1 3.86Å; F110-I121 HydrophobicContact CE1-CG2 4.1Å; L118-I121 HydrophobicContact CB-CG1 4.05Å; P119-I121 VanDerWaalsContact C-N 3.27Å; P119-I121 PolarHBondContact O-N 2.84Å; I121-I126 HydrophobicContact CB-CD1 4.26Å; I121-I126 HydrophobicContact CG2-CD1 4.08Å; I121-I126 HydrophobicContact CG2-CG1 3.84Å; I121-I148 HydrophobicContact CD1-CB 3.8Å; I121-I148 HydrophobicContact CD1-CD1 4.45Å; I121-I148 HydrophobicContact CD1-CG2 3.57Å; I121-V149 HydrophobicContact CD1-CG2 3.85Å
122	P	94.2	Very high	89.7	Confident	54 Å²	54	62.8 Å²	62.8	35%	0.351	36%	0.356	S	S	.	.			trans	-59.2	138.2	-178.4	-25.2	34.9	0	0	0	113.2	D124 V125 I126 I148	P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 WeakPolarHBondContact CB-OD1 3.24Å; P122-D124 PolarHBondContact O-N 3.25Å; P122-V125 HydrophobicContact CB-CG2 3.93Å; P122-V125 HydrophobicContact CG-CG2 4.18Å; P122-V125 WeakPolarHBondContact O-CB 3.32Å; P122-V125 PolarHBondContact O-N 2.75Å; P122-V125 VanDerWaalsContact O-N 3.08Å; P122-I126 PolarHBondContact O-N 2.99Å; P122-I148 HydrophobicContact CG-CD1 4.33Å
123	Q	92.3	Very high	90.5	Very high	111 Å²	111	57.2 Å²	57.2	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-30	-176.4	-69.1	-62.8	-31.7	0	0	113.2	I126 A127	Q123-I126 PolarHBondContact O-N 2.98Å; Q123-A127 WeakPolarHBondContact O-CB 3.29Å; Q123-A127 PolarHBondContact O-N 3.29Å
124	D	94	Very high	91.1	Very high	91 Å²	91	59.9 Å²	59.9	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-37	174.8	66.7	-65.3	0	0	0	112.1	P122 A127 R128	P122-D124 VanDerWaalsContact C-N 3.26Å; P122-D124 WeakPolarHBondContact CB-OD1 3.24Å; P122-D124 PolarHBondContact O-N 3.25Å; D124-A127 PolarHBondContact O-N 2.94Å; D124-R128 WeakPolarHBondContact O-CG 3.44Å; D124-R128 PolarHBondContact O-N 3.32Å; D124-R128 IonicContact OD2-CZ 2.74Å; D124-R128 IonicContact OD2-NH1 2.76Å; D124-R128 PolarHBondContact OD2-NH1 2.83Å
125	V	94.3	Very high	91.3	Very high	10 Å²	10	64.9 Å²	64.9	6%	0.061	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-44	175.7	-178.6	0	0	0	0	109.9	P122 R128 C129 D144 I148	P122-V125 HydrophobicContact CB-CG2 3.93Å; P122-V125 HydrophobicContact CG-CG2 4.18Å; P122-V125 WeakPolarHBondContact O-CB 3.32Å; P122-V125 PolarHBondContact O-N 2.75Å; P122-V125 VanDerWaalsContact O-N 3.08Å; V125-R128 PolarHBondContact O-N 3.05Å; V125-C129 PolarHBondContact O-N 3.19Å; V125-C129 VanDerWaalsContact O-N 3.07Å; V125-C129 PolarHBondContact O-SG 2.96Å; V125-D144 HydrophobicContact CG1-CB 3.8Å; V125-I148 HydrophobicContact CG2-CD1 4.24Å
126	I	93.6	Very high	91.5	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-63.3	-44.9	177.7	-62.9	161.2	0	0	0	110.3	F110 I121 P122 Q123 R128 C129 R130	F110-I126 HydrophobicContact CB-CD1 3.9Å; F110-I126 HydrophobicContact CB-CG1 4.08Å; F110-I126 HydrophobicContact CB-CG2 3.8Å; F110-I126 HydrophobicContact CD1-CD1 3.93Å; F110-I126 HydrophobicContact CD1-CG1 4.02Å; F110-I126 HydrophobicContact CD2-CG1 4.28Å; F110-I126 HydrophobicContact CD2-CG2 4.34Å; F110-I126 HydrophobicContact CG-CD1 3.99Å; F110-I126 HydrophobicContact CG-CG1 3.86Å; F110-I126 HydrophobicContact CG-CG2 4.21Å; I121-I126 HydrophobicContact CB-CD1 4.26Å; I121-I126 HydrophobicContact CG2-CD1 4.08Å; I121-I126 HydrophobicContact CG2-CG1 3.84Å; P122-I126 PolarHBondContact O-N 2.99Å; Q123-I126 PolarHBondContact O-N 2.98Å; I126-R128 PolarHBondContact O-N 3.34Å; I126-C129 WeakPolarHBondContact O-CB 3.27Å; I126-C129 PolarHBondContact O-N 3.44Å; I126-C129 VanDerWaalsContact O-N 3.14Å; I126-R130 PolarHBondContact O-N 2.9Å
127	A	93.1	Very high	91.3	Very high	56 Å²	56	65.2 Å²	65.2	46%	0.463	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-44.9	177.6	0	0	0	0	0	111.9	Q123 D124 C129 R130 E131	Q123-A127 WeakPolarHBondContact O-CB 3.29Å; Q123-A127 PolarHBondContact O-N 3.29Å; D124-A127 PolarHBondContact O-N 2.94Å; A127-C129 VanDerWaalsContact C-N 3.3Å; A127-C129 PolarHBondContact O-N 3.49Å; A127-R130 PolarHBondContact O-N 3.03Å; A127-E131 PolarHBondContact O-N 2.78Å
128	R	94.1	Very high	91.3	Very high	86 Å²	86	66 Å²	66	33%	0.325	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-38.7	174.3	-71.3	-168.1	-52.5	-93	7.8	112.6	D124 V125 I126 R132 D144	D124-R128 WeakPolarHBondContact O-CG 3.44Å; D124-R128 PolarHBondContact O-N 3.32Å; D124-R128 IonicContact OD2-CZ 2.74Å; D124-R128 IonicContact OD2-NH1 2.76Å; D124-R128 PolarHBondContact OD2-NH1 2.83Å; V125-R128 PolarHBondContact O-N 3.05Å; I126-R128 PolarHBondContact O-N 3.34Å; R128-R132 WeakPolarHBondContact O-CB 3.37Å; R128-R132 WeakPolarHBondContact O-CG 3.22Å; R128-R132 PolarHBondContact O-N 2.89Å; R128-D144 IonicContact NH2-OD2 3.81Å; R128-D144 PolarHBondContact NH2-OD2 3.4Å
129	C	94.4	Very high	91	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.034	35%	0.348	C	S	.	.	H	α-helix	trans	-65	-42.2	176.4	-65.5	0	0	0	0	111.4	L106 V125 I126 A127 L133 L141 F142	L106-C129 HydrophobicContact CD2-CB 3.94Å; V125-C129 PolarHBondContact O-N 3.19Å; V125-C129 VanDerWaalsContact O-N 3.07Å; V125-C129 PolarHBondContact O-SG 2.96Å; I126-C129 WeakPolarHBondContact O-CB 3.27Å; I126-C129 PolarHBondContact O-N 3.44Å; I126-C129 VanDerWaalsContact O-N 3.14Å; A127-C129 VanDerWaalsContact C-N 3.3Å; A127-C129 PolarHBondContact O-N 3.49Å; C129-L133 VanDerWaalsContact O-CB 3.29Å; C129-L133 WeakPolarHBondContact O-CB 3.2Å; C129-L133 PolarHBondContact O-N 3.09Å; C129-L141 HydrophobicContact CB-CD1 4.47Å; C129-F142 HydrophobicContact CB-CE1 4.29Å
130	R	94.2	Very high	91.4	Very high	82 Å²	82	68.5 Å²	68.5	31%	0.309	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-49.1	176.7	-68.8	-172	-175.4	-82.2	-1.3	111.5	L106 D107 I126 A127 R132 L133 E134	L106-R130 HydrophobicContact CD1-CG 3.95Å; L106-R130 HydrophobicContact CD2-CG 3.99Å; L106-R130 PolarHBondContact O-NH2 2.97Å; D107-R130 IonicContact OD1-NH1 3.98Å; D107-R130 PolarHBondContact OD1-NH1 2.85Å; D107-R130 IonicContact OD1-NH2 3.28Å; I126-R130 PolarHBondContact O-N 2.9Å; A127-R130 PolarHBondContact O-N 3.03Å; R130-R132 PolarHBondContact O-N 3.24Å; R130-L133 PolarHBondContact O-N 3.08Å; R130-E134 PolarHBondContact O-N 3.3Å; R130-E134 VanDerWaalsContact O-N 3.14Å
131	E	93.3	Very high	91.7	Very high	106 Å²	106	63 Å²	63	50%	0.495	32%	0.317	S	S	.	.	H	α-helix	trans	-59.4	-48.9	179.3	-176.8	-174.1	-179.3	0	0	112	A127 L133 E134 Q135	A127-E131 PolarHBondContact O-N 2.78Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 2.99Å; E131-E134 PolarHBondContact O-N 2.89Å; E131-Q135 VanDerWaalsContact CG-NE2 3.33Å; E131-Q135 WeakPolarHBondContact O-CG 3.33Å; E131-Q135 PolarHBondContact O-N 2.76Å; E131-Q135 VanDerWaalsContact O-N 3.1Å; E131-Q135 PolarHBondContact OE1-NE2 2.98Å
132	R	92.9	Very high	91.9	Very high	130 Å²	130	62.7 Å²	62.7	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-65	-36	179.8	-75.1	-178.8	178.6	-175.7	0.6	112.6	R128 R130 E134 Q135 S136 L141	R128-R132 WeakPolarHBondContact O-CB 3.37Å; R128-R132 WeakPolarHBondContact O-CG 3.22Å; R128-R132 PolarHBondContact O-N 2.89Å; R130-R132 PolarHBondContact O-N 3.24Å; R132-E134 VanDerWaalsContact C-N 3.28Å; R132-E134 PolarHBondContact O-N 3.33Å; R132-Q135 PolarHBondContact O-N 2.78Å; R132-S136 CarbonylContact O-C 3.6Å; R132-S136 VanDerWaalsContact O-C 3.22Å; R132-S136 PolarHBondContact O-N 2.7Å; R132-S136 VanDerWaalsContact O-O 3.12Å; R132-L141 HydrophobicContact CB-CD1 3.5Å
133	L	92.9	Very high	91.9	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-35.3	176	-173.4	66.4	0	0	0	111.8	Y90 L103 L106 C129 R130 E131 P137 L141	Y90-L133 HydrophobicContact CE2-CD1 4.42Å; L103-L133 HydrophobicContact CD2-CD2 3.8Å; L103-L133 HydrophobicContact CG-CD2 3.87Å; L106-L133 HydrophobicContact CD1-CD2 3.44Å; L106-L133 VanDerWaalsContact CD1-CD2 3.44Å; C129-L133 VanDerWaalsContact O-CB 3.29Å; C129-L133 WeakPolarHBondContact O-CB 3.2Å; C129-L133 PolarHBondContact O-N 3.09Å; R130-L133 PolarHBondContact O-N 3.08Å; E131-L133 VanDerWaalsContact C-N 3.32Å; E131-L133 PolarHBondContact O-N 2.99Å; L133-P137 HydrophobicContact CD1-CB 4.04Å; L133-P137 HydrophobicContact CD1-CG 4.15Å; L133-P137 WeakPolarHBondContact O-CG 3.41Å; L133-L141 HydrophobicContact CB-CD2 3.92Å; L133-L141 HydrophobicContact CD1-CD2 3.67Å; L133-L141 HydrophobicContact CG-CD2 4.28Å
134	E	89.8	Confident	92	Very high	129 Å²	129	61.9 Å²	61.9	60%	0.603	31%	0.311	S	S	*	.	H	α-helix	trans	-70.6	-42.2	177	-73.2	178.1	-178	0	0	112.3	R99 R130 E131 R132	R99-E134 PolarHBondContact NH1-O 3.28Å; R130-E134 PolarHBondContact O-N 3.3Å; R130-E134 VanDerWaalsContact O-N 3.14Å; E131-E134 PolarHBondContact O-N 2.89Å; R132-E134 VanDerWaalsContact C-N 3.28Å; R132-E134 PolarHBondContact O-N 3.33Å
135	Q	89.3	Confident	92.1	Very high	137 Å²	137	57.5 Å²	57.5	64%	0.64	29%	0.288	S	S	*	.	H	α-helix	trans	-76.5	-55.3	-177.1	-67.5	174.7	9.6	0	0	113	E131 R132	E131-Q135 VanDerWaalsContact CG-NE2 3.33Å; E131-Q135 WeakPolarHBondContact O-CG 3.33Å; E131-Q135 PolarHBondContact O-N 2.76Å; E131-Q135 VanDerWaalsContact O-N 3.1Å; E131-Q135 PolarHBondContact OE1-NE2 2.98Å; R132-Q135 PolarHBondContact O-N 2.78Å
136	S	86.8	Confident	92.2	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	29%	0.294	S	S	*	.			trans	-159	97.6	-175.6	-173.2	0	0	0	0	111.2	R132 C138	R132-S136 CarbonylContact O-C 3.6Å; R132-S136 VanDerWaalsContact O-C 3.22Å; R132-S136 PolarHBondContact O-N 2.7Å; R132-S136 VanDerWaalsContact O-O 3.12Å; S136-C138 PolarHBondContact O-N 3.21Å
137	P	85.6	Confident	92.3	Very high	39 Å²	39	64.7 Å²	64.7	25%	0.253	32%	0.321	S	S	.	.			trans	-61	101.4	176.9	-21.3	30.5	0	0	0	112.7	R98 R99 L133	R98-P137 WeakPolarHBondContact CD-O 3.45Å; R98-P137 HydrophobicContact CG-CB 4.05Å; R99-P137 HydrophobicContact CB-CG 4.28Å; L133-P137 HydrophobicContact CD1-CB 4.04Å; L133-P137 HydrophobicContact CD1-CG 4.15Å; L133-P137 WeakPolarHBondContact O-CG 3.41Å
138	C	88.4	Confident	92.5	Very high	43 Å²	43	64.5 Å²	64.5	29%	0.291	31%	0.311	S	S	.	.			trans	-97.9	163.6	170.7	69.3	0	0	0	0	111.7	Y90 S136 E140 L141	Y90-C138 VanDerWaalsContact CE1-O 3.32Å; Y90-C138 WeakPolarHBondContact CE1-O 3.36Å; Y90-C138 PolarHBondContact OH-O 2.9Å; S136-C138 PolarHBondContact O-N 3.21Å; C138-E140 VanDerWaalsContact C-N 3.26Å; C138-E140 PolarHBondContact O-N 2.69Å; C138-L141 WeakPolarHBondContact O-CB 3.34Å
139	K	86.1	Confident	92.6	Very high	41 Å²	41	60.7 Å²	60.7	18%	0.178	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-22.7	-176.3	-58.8	-174.7	-174.9	174	0	111.9	Q91 L141 N452 K454	Q91-K139 WeakPolarHBondContact CG-O 3.5Å; K139-L141 VanDerWaalsContact C-N 3.27Å; K139-L141 PolarHBondContact O-N 3.34Å; K139-N452 PolarHBondContact NZ-OD1 3.49Å; K139-K454 HydrophobicContact CD-CB 4.44Å; K139-K454 HydrophobicContact CD-CG 3.71Å
140	E	90.6	Very high	92.7	Very high	100 Å²	100	63.8 Å²	63.8	47%	0.467	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	3.7	-176.3	-61	70.1	-153	0	0	112.6	C138 F142 N143	C138-E140 VanDerWaalsContact C-N 3.26Å; C138-E140 PolarHBondContact O-N 2.69Å; E140-F142 VanDerWaalsContact C-N 3.28Å; E140-F142 PolarHBondContact O-N 3.17Å; E140-F142 VanDerWaalsContact O-N 3.17Å; E140-N143 WeakPolarHBondContact CB-ND2 3.13Å; E140-N143 WeakPolarHBondContact O-CB 3.44Å; E140-N143 VanDerWaalsContact O-CG 3.29Å; E140-N143 PolarHBondContact O-N 3.39Å; E140-N143 VanDerWaalsContact O-N 3.1Å
141	L	93.8	Very high	92.8	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-45.3	-172.3	-177.5	65.5	0	0	0	113.5	Y90 C129 R132 L133 C138 K139	Y90-L141 HydrophobicContact CE1-CB 3.94Å; Y90-L141 HydrophobicContact CE1-CD2 4.5Å; Y90-L141 HydrophobicContact CE2-CD2 4.37Å; Y90-L141 WeakPolarHBondContact OH-CD2 3.42Å; C129-L141 HydrophobicContact CB-CD1 4.47Å; R132-L141 HydrophobicContact CB-CD1 3.5Å; L133-L141 HydrophobicContact CB-CD2 3.92Å; L133-L141 HydrophobicContact CD1-CD2 3.67Å; L133-L141 HydrophobicContact CG-CD2 4.28Å; C138-L141 WeakPolarHBondContact O-CB 3.34Å; K139-L141 VanDerWaalsContact C-N 3.27Å; K139-L141 PolarHBondContact O-N 3.34Å
142	F	96.1	Very high	93	Very high	1 Å²	1	63.1 Å²	63.1	0%	0.004	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	14	-174.5	-60.9	-68.9	0	0	0	114	V87 Y90 V105 L106 F110 C129 E140 D144 C145 T146	V87-F142 HydrophobicContact CG1-CB 3.88Å; V87-F142 HydrophobicContact CG2-CB 3.79Å; V87-F142 HydrophobicContact CG2-CD2 4.25Å; V87-F142 HydrophobicContact CG2-CG 4.1Å; Y90-F142 AromaticContact CD1-CD2 3.77Å; Y90-F142 HydrophobicContact CD1-CD2 3.77Å; Y90-F142 AromaticContact CD1-CE2 3.94Å; Y90-F142 HydrophobicContact CD1-CE2 3.94Å; Y90-F142 AromaticContact CD2-CE2 3.92Å; Y90-F142 HydrophobicContact CD2-CE2 3.92Å; Y90-F142 HydrophobicContact CE1-CD2 4.01Å; Y90-F142 HydrophobicContact CE1-CE2 4.08Å; Y90-F142 HydrophobicContact CE2-CE2 4.03Å; Y90-F142 HydrophobicContact CG-CD2 4.09Å; Y90-F142 AromaticContact CG-CE2 3.87Å; Y90-F142 HydrophobicContact CG-CE2 3.87Å; V105-F142 HydrophobicContact CB-CE1 4.46Å; V105-F142 HydrophobicContact CB-CE2 4.09Å; V105-F142 HydrophobicContact CB-CZ 3.84Å; V105-F142 HydrophobicContact CG1-CD1 4.3Å; V105-F142 HydrophobicContact CG1-CD2 4.4Å; V105-F142 HydrophobicContact CG1-CE1 3.87Å; V105-F142 HydrophobicContact CG1-CE2 3.98Å; V105-F142 HydrophobicContact CG1-CZ 3.7Å; V105-F142 HydrophobicContact CG2-CE2 4.43Å; L106-F142 HydrophobicContact CD2-CE1 3.84Å; L106-F142 HydrophobicContact CD2-CZ 4.43Å; L106-F142 HydrophobicContact CG-CE1 3.99Å; L106-F142 HydrophobicContact CG-CZ 4.09Å; F110-F142 HydrophobicContact CE2-CD1 4.39Å; F110-F142 HydrophobicContact CE2-CE1 4.29Å; C129-F142 HydrophobicContact CB-CE1 4.29Å; E140-F142 VanDerWaalsContact C-N 3.28Å; E140-F142 PolarHBondContact O-N 3.17Å; E140-F142 VanDerWaalsContact O-N 3.17Å; F142-D144 VanDerWaalsContact C-N 3.32Å; F142-D144 PolarHBondContact O-N 2.92Å; F142-C145 PolarHBondContact O-N 3.16Å; F142-T146 WeakPolarHBondContact O-CB 3.24Å; F142-T146 PolarHBondContact O-N 2.97Å; F142-T146 PolarHBondContact O-OG1 2.83Å
143	N	94.3	Very high	93.2	Very high	74 Å²	74	57.2 Å²	57.2	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-40.3	-176.5	-77.3	0.5	0	0	0	112.6	E140 T146 K147	E140-N143 WeakPolarHBondContact CB-ND2 3.13Å; E140-N143 WeakPolarHBondContact O-CB 3.44Å; E140-N143 VanDerWaalsContact O-CG 3.29Å; E140-N143 PolarHBondContact O-N 3.39Å; E140-N143 VanDerWaalsContact O-N 3.1Å; N143-T146 PolarHBondContact O-N 2.86Å; N143-K147 WeakPolarHBondContact O-CB 3.39Å; N143-K147 PolarHBondContact O-N 2.64Å
144	D	94.8	Very high	93.4	Very high	74 Å²	74	59.1 Å²	59.1	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-63.5	-47.2	177.1	-72	-8.5	0	0	0	111.2	V125 R128 F142 T146 K147 I148	V125-D144 HydrophobicContact CG1-CB 3.8Å; R128-D144 IonicContact NH2-OD2 3.81Å; R128-D144 PolarHBondContact NH2-OD2 3.4Å; F142-D144 VanDerWaalsContact C-N 3.32Å; F142-D144 PolarHBondContact O-N 2.92Å; D144-T146 VanDerWaalsContact C-N 3.35Å; D144-T146 PolarHBondContact O-N 2.95Å; D144-K147 WeakPolarHBondContact O-CB 3.45Å; D144-K147 PolarHBondContact O-N 2.61Å; D144-I148 WeakPolarHBondContact O-CG1 3.27Å; D144-I148 PolarHBondContact O-N 3.36Å; D144-I148 VanDerWaalsContact O-N 3.08Å
145	C	96	Very high	93.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-44.5	176.9	-58.7	0	0	0	0	111.5	F83 F110 F142 K147 I148 V149	F83-C145 HydrophobicContact CE1-CB 4.11Å; F83-C145 HydrophobicContact CZ-CB 3.61Å; F110-C145 HydrophobicContact CZ-CB 4.09Å; F142-C145 PolarHBondContact O-N 3.16Å; C145-K147 VanDerWaalsContact C-N 3.3Å; C145-K147 PolarHBondContact O-N 2.95Å; C145-I148 PolarHBondContact O-N 2.96Å; C145-V149 WeakPolarHBondContact O-CG2 3.16Å; C145-V149 PolarHBondContact O-N 3.16Å
146	T	95.6	Very high	94.1	Very high	30 Å²	30	51.4 Å²	51.4	18%	0.184	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-42.7	177.2	-57.9	0	0	0	0	110.8	M84 F142 N143 D144 R150	M84-T146 HydrophobicContact CE-CG2 3.45Å; M84-T146 VanDerWaalsContact CE-CG2 3.45Å; M84-T146 HydrophobicContact SD-CG2 3.62Å; F142-T146 WeakPolarHBondContact O-CB 3.24Å; F142-T146 PolarHBondContact O-N 2.97Å; F142-T146 PolarHBondContact O-OG1 2.83Å; N143-T146 PolarHBondContact O-N 2.86Å; D144-T146 VanDerWaalsContact C-N 3.35Å; D144-T146 PolarHBondContact O-N 2.95Å; T146-R150 VanDerWaalsContact O-CB 3.22Å; T146-R150 WeakPolarHBondContact O-CB 3.33Å; T146-R150 PolarHBondContact O-N 2.9Å
147	K	95.9	Very high	94.6	Very high	133 Å²	133	47.7 Å²	47.7	58%	0.578	26%	0.259	S	S	*	.	H	α-helix	trans	-62.5	-46.3	177.2	-176.1	-179.8	176.3	-175.4	0	111.8	N143 D144 C145 V149 R150 D151	N143-K147 WeakPolarHBondContact O-CB 3.39Å; N143-K147 PolarHBondContact O-N 2.64Å; D144-K147 WeakPolarHBondContact O-CB 3.45Å; D144-K147 PolarHBondContact O-N 2.61Å; C145-K147 VanDerWaalsContact C-N 3.3Å; C145-K147 PolarHBondContact O-N 2.95Å; K147-V149 PolarHBondContact O-N 2.81Å; K147-R150 WeakPolarHBondContact O-CB 3.15Å; K147-R150 PolarHBondContact O-N 3.23Å; K147-D151 WeakPolarHBondContact O-CB 3.31Å; K147-D151 PolarHBondContact O-N 2.97Å
148	I	96.8	Very high	95.2	Very high	52 Å²	52	46.3 Å²	46.3	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-62.4	-46.2	179.8	-63.2	165.8	0	0	0	111	I121 P122 V125 D144 C145 R150 D151 Y152	I121-I148 HydrophobicContact CD1-CB 3.8Å; I121-I148 HydrophobicContact CD1-CD1 4.45Å; I121-I148 HydrophobicContact CD1-CG2 3.57Å; P122-I148 HydrophobicContact CG-CD1 4.33Å; V125-I148 HydrophobicContact CG2-CD1 4.24Å; D144-I148 WeakPolarHBondContact O-CG1 3.27Å; D144-I148 PolarHBondContact O-N 3.36Å; D144-I148 VanDerWaalsContact O-N 3.08Å; C145-I148 PolarHBondContact O-N 2.96Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 3.39Å; I148-D151 PolarHBondContact O-N 3.21Å; I148-Y152 PolarHBondContact O-N 3.25Å
149	V	96.6	Very high	95.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-41.9	176.9	174.3	0	0	0	0	111.2	C80 F83 M84 L118 I121 C145 K147 Y152 L153	C80-V149 HydrophobicContact CB-CG1 3.65Å; F83-V149 HydrophobicContact CD1-CB 4.37Å; F83-V149 HydrophobicContact CD1-CG1 4.48Å; F83-V149 HydrophobicContact CD1-CG2 3.76Å; F83-V149 HydrophobicContact CE1-CG2 3.86Å; M84-V149 HydrophobicContact CG-CG1 4.04Å; M84-V149 HydrophobicContact SD-CB 4.18Å; M84-V149 HydrophobicContact SD-CG1 4.03Å; L118-V149 HydrophobicContact CD1-CG2 4.1Å; I121-V149 HydrophobicContact CD1-CG2 3.85Å; C145-V149 WeakPolarHBondContact O-CG2 3.16Å; C145-V149 PolarHBondContact O-N 3.16Å; K147-V149 PolarHBondContact O-N 2.81Å; V149-Y152 PolarHBondContact O-N 2.79Å; V149-L153 HydrophobicContact CG1-CD1 4Å; V149-L153 HydrophobicContact CG1-CG 4.4Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 2.78Å
150	R	96.6	Very high	96.2	Very high	71 Å²	71	47.4 Å²	47.4	27%	0.268	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-45.7	176.7	-178	-176.2	-178.7	-89.8	-2.1	112	F53 T54 E58 T146 K147 I148 Y152 L153 S154	F53-R150 HydrophobicContact CE1-CG 4.16Å; T54-R150 PolarHBondContact OG1-NH2 2.95Å; E58-R150 WeakPolarHBondContact OE1-CD 3.33Å; E58-R150 IonicContact OE1-CZ 3.33Å; E58-R150 IonicContact OE1-NE 2.68Å; E58-R150 PolarHBondContact OE1-NE 3.01Å; E58-R150 IonicContact OE1-NH2 3.41Å; E58-R150 IonicContact OE2-CZ 2.65Å; E58-R150 IonicContact OE2-NE 2.7Å; E58-R150 PolarHBondContact OE2-NE 3.34Å; E58-R150 VanDerWaalsContact OE2-NE 3.16Å; E58-R150 IonicContact OE2-NH2 2.98Å; E58-R150 PolarHBondContact OE2-NH2 2.64Å; T146-R150 VanDerWaalsContact O-CB 3.22Å; T146-R150 WeakPolarHBondContact O-CB 3.33Å; T146-R150 PolarHBondContact O-N 2.9Å; K147-R150 WeakPolarHBondContact O-CB 3.15Å; K147-R150 PolarHBondContact O-N 3.23Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 3.39Å; R150-Y152 VanDerWaalsContact C-N 3.31Å; R150-Y152 PolarHBondContact O-N 3.13Å; R150-L153 PolarHBondContact O-N 3.15Å; R150-S154 WeakPolarHBondContact O-CB 3.19Å; R150-S154 PolarHBondContact O-N 2.78Å; R150-S154 PolarHBondContact O-OG 2.65Å
151	D	96.6	Very high	96.6	Very high	79 Å²	79	42.7 Å²	42.7	42%	0.422	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-42.4	179.9	-69.9	-14	0	0	0	110.3	K147 I148 S154 G155	K147-D151 WeakPolarHBondContact O-CB 3.31Å; K147-D151 PolarHBondContact O-N 2.97Å; I148-D151 PolarHBondContact O-N 3.21Å; D151-S154 PolarHBondContact O-N 2.7Å; D151-S154 PolarHBondContact O-OG 3.37Å; D151-G155 PolarHBondContact O-N 3.02Å
152	Y	96.8	Very high	96.7	Very high	94 Å²	94	43.5 Å²	43.5	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-58.6	-52.4	171.8	170.2	-107.8	0	0	0	112.5	L77 I148 V149 R150 S154 G155 P157	L77-Y152 HydrophobicContact CD2-CE1 3.8Å; I148-Y152 PolarHBondContact O-N 3.25Å; V149-Y152 PolarHBondContact O-N 2.79Å; R150-Y152 VanDerWaalsContact C-N 3.31Å; R150-Y152 PolarHBondContact O-N 3.13Å; Y152-S154 PolarHBondContact O-N 2.68Å; Y152-G155 PolarHBondContact O-N 3.18Å; Y152-G155 VanDerWaalsContact O-N 3.1Å; Y152-P157 HydrophobicContact CD1-CG 4.38Å; Y152-P157 HydrophobicContact CE1-CG 3.91Å; Y152-P157 HydrophobicContact CE2-CG 4.21Å; Y152-P157 WeakPolarHBondContact O-CD 3.49Å
153	L	97.3	Very high	96.7	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-33.8	-179.5	-71.4	172.5	0	0	0	112.6	F53 F67 L77 C80 I81 V149 R150 G155 F158	F53-L153 HydrophobicContact CE2-CB 4.25Å; F53-L153 HydrophobicContact CZ-CB 3.87Å; F67-L153 HydrophobicContact CE1-CD2 4.46Å; F67-L153 HydrophobicContact CZ-CB 4.46Å; F67-L153 HydrophobicContact CZ-CD2 4.35Å; L77-L153 HydrophobicContact CD2-CD2 4.32Å; C80-L153 HydrophobicContact CB-CD1 4.28Å; C80-L153 HydrophobicContact CB-CD2 4.1Å; C80-L153 HydrophobicContact CB-CG 4.36Å; I81-L153 HydrophobicContact CD1-CD1 3.96Å; V149-L153 HydrophobicContact CG1-CD1 4Å; V149-L153 HydrophobicContact CG1-CG 4.4Å; V149-L153 WeakPolarHBondContact O-CG 3.31Å; V149-L153 PolarHBondContact O-N 2.78Å; R150-L153 PolarHBondContact O-N 3.15Å; L153-G155 PolarHBondContact O-N 3.47Å; L153-F158 WeakPolarHBondContact O-CB 3.27Å; L153-F158 PolarHBondContact O-N 3.33Å
154	S	97.4	Very high	96.7	Very high	43 Å²	43	49 Å²	49	30%	0.301	27%	0.269	S	S	.	.	H	α-helix	trans	-73.4	-12.8	179.2	78.7	0	0	0	0	114.4	R150 D151 Y152	R150-S154 WeakPolarHBondContact O-CB 3.19Å; R150-S154 PolarHBondContact O-N 2.78Å; R150-S154 PolarHBondContact O-OG 2.65Å; D151-S154 PolarHBondContact O-N 2.7Å; D151-S154 PolarHBondContact O-OG 3.37Å; Y152-S154 PolarHBondContact O-N 2.68Å
155	G	97.1	Very high	96.7	Very high	32 Å²	32	48.8 Å²	48.8	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-123	-179.9	0	0	0	0	0	113.3	D151 Y152 L153 P157 F158 S159	D151-G155 PolarHBondContact O-N 3.02Å; Y152-G155 PolarHBondContact O-N 3.18Å; Y152-G155 VanDerWaalsContact O-N 3.1Å; L153-G155 PolarHBondContact O-N 3.47Å; G155-P157 VanDerWaalsContact C-CD 3.43Å; G155-F158 PolarHBondContact O-N 2.89Å; G155-F158 VanDerWaalsContact O-N 3.08Å; G155-S159 PolarHBondContact O-N 3.2Å; G155-S159 VanDerWaalsContact O-N 3.14Å
156	A	96.8	Very high	96.8	Very high	71 Å²	71	50.6 Å²	50.6	59%	0.587	27%	0.273	S	S	*	.	H	α-helix	trans	-55.6	-38.3	-176.4	0	0	0	0	0	115	F158 S159 S160	A156-F158 VanDerWaalsContact C-N 3.34Å; A156-F158 PolarHBondContact O-N 3.05Å; A156-S159 PolarHBondContact O-N 3.04Å; A156-S160 WeakPolarHBondContact O-CB 3.13Å; A156-S160 PolarHBondContact O-N 2.69Å; A156-S160 PolarHBondContact O-OG 3.14Å
157	P	97.8	Very high	96.8	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.039	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-41.1	174.1	-24.8	36.3	0	0	0	113.1	L77 Y152 G155 S160 Y161	L77-P157 HydrophobicContact CD1-CB 4.06Å; L77-P157 HydrophobicContact CD2-CB 3.79Å; L77-P157 HydrophobicContact CD2-CG 3.7Å; Y152-P157 HydrophobicContact CD1-CG 4.38Å; Y152-P157 HydrophobicContact CE1-CG 3.91Å; Y152-P157 HydrophobicContact CE2-CG 4.21Å; Y152-P157 WeakPolarHBondContact O-CD 3.49Å; G155-P157 VanDerWaalsContact C-CD 3.43Å; P157-S160 PolarHBondContact O-N 3.13Å; P157-Y161 WeakPolarHBondContact O-CB 3.33Å; P157-Y161 PolarHBondContact O-N 3.44Å
158	F	98.3	Very high	96.9	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-67.2	-44.4	177.3	176.9	-124.7	0	0	0	112.4	F53 L56 L153 G155 A156 S160 Y161 Q162	F53-F158 HydrophobicContact CB-CD1 4.19Å; F53-F158 HydrophobicContact CB-CE1 4.18Å; F53-F158 HydrophobicContact CB-CG 4.36Å; F53-F158 HydrophobicContact CB-CZ 4.34Å; F53-F158 HydrophobicContact CD2-CB 3.95Å; F53-F158 HydrophobicContact CD2-CD1 4.46Å; F53-F158 AromaticContact CD2-CD2 3.73Å; F53-F158 HydrophobicContact CD2-CD2 3.73Å; F53-F158 HydrophobicContact CD2-CE2 4.3Å; F53-F158 AromaticContact CD2-CG 3.81Å; F53-F158 HydrophobicContact CD2-CG 3.81Å; L56-F158 HydrophobicContact CB-CE2 4.46Å; L56-F158 HydrophobicContact CD1-CE2 4.3Å; L56-F158 HydrophobicContact CD1-CZ 4.03Å; L153-F158 WeakPolarHBondContact O-CB 3.27Å; L153-F158 PolarHBondContact O-N 3.33Å; G155-F158 PolarHBondContact O-N 2.89Å; G155-F158 VanDerWaalsContact O-N 3.08Å; A156-F158 VanDerWaalsContact C-N 3.34Å; A156-F158 PolarHBondContact O-N 3.05Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 2.88Å; F158-Y161 HydrophobicContact CD2-CD1 4.09Å; F158-Y161 HydrophobicContact CE2-CD1 4.29Å; F158-Y161 WeakPolarHBondContact O-CB 3.47Å; F158-Y161 PolarHBondContact O-N 3.42Å; F158-Y161 VanDerWaalsContact O-N 3.13Å; F158-Q162 HydrophobicContact CD2-CG 4.47Å; F158-Q162 HydrophobicContact CE2-CG 4.2Å; F158-Q162 HydrophobicContact CZ-CG 4.35Å; F158-Q162 VanDerWaalsContact CZ-NE2 3.29Å; F158-Q162 WeakPolarHBondContact O-CG 3.47Å; F158-Q162 PolarHBondContact O-N 2.71Å
159	S	97.8	Very high	96.9	Very high	61 Å²	61	41.2 Å²	41.2	43%	0.427	23%	0.23	S	C	.	.	H	α-helix	trans	-57.8	-44.8	174.1	-59.6	0	0	0	0	111.6	G155 A156 Y161 Q162 E163	G155-S159 PolarHBondContact O-N 3.2Å; G155-S159 VanDerWaalsContact O-N 3.14Å; A156-S159 PolarHBondContact O-N 3.04Å; S159-Y161 VanDerWaalsContact C-N 3.3Å; S159-Y161 PolarHBondContact O-N 2.93Å; S159-Q162 WeakPolarHBondContact O-CB 3.4Å; S159-Q162 PolarHBondContact O-N 3.47Å; S159-E163 PolarHBondContact O-N 2.97Å
160	S	98	Very high	96.9	Very high	46 Å²	46	41 Å²	41	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-67.5	-30.7	178.3	-57.6	0	0	0	0	112.4	Y70 A156 P157 F158	Y70-S160 WeakPolarHBondContact OH-CB 3.42Å; Y70-S160 PolarHBondContact OH-O 3.35Å; Y70-S160 VanDerWaalsContact OH-O 3.13Å; A156-S160 WeakPolarHBondContact O-CB 3.13Å; A156-S160 PolarHBondContact O-N 2.69Å; A156-S160 PolarHBondContact O-OG 3.14Å; P157-S160 PolarHBondContact O-N 3.13Å; F158-S160 VanDerWaalsContact C-N 3.3Å; F158-S160 PolarHBondContact O-N 2.88Å
161	Y	97.9	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-41.3	173.3	161.8	-108.5	0	0	0	110.9	F67 Y70 P157 F158 S159 E163 S164 F167	F67-Y161 HydrophobicContact CB-CE2 4.29Å; F67-Y161 AromaticContact CD2-CD1 3.82Å; F67-Y161 HydrophobicContact CD2-CD1 3.82Å; F67-Y161 AromaticContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CD2 3.86Å; F67-Y161 HydrophobicContact CD2-CE1 4.28Å; F67-Y161 HydrophobicContact CD2-CE2 4.34Å; F67-Y161 AromaticContact CD2-CG 3.58Å; F67-Y161 HydrophobicContact CD2-CG 3.58Å; F67-Y161 HydrophobicContact CE2-CD1 4.45Å; F67-Y161 HydrophobicContact CE2-CG 4.13Å; Y70-Y161 HydrophobicContact CD1-CD2 4.05Å; Y70-Y161 HydrophobicContact CD1-CG 4.38Å; Y70-Y161 HydrophobicContact CD2-CD2 4.45Å; Y70-Y161 AromaticContact CG-CD2 3.87Å; Y70-Y161 HydrophobicContact CG-CD2 3.87Å; Y70-Y161 PolarHBondContact OH-N 2.87Å; Y70-Y161 VanDerWaalsContact OH-N 3.12Å; P157-Y161 WeakPolarHBondContact O-CB 3.33Å; P157-Y161 PolarHBondContact O-N 3.44Å; F158-Y161 HydrophobicContact CD2-CD1 4.09Å; F158-Y161 HydrophobicContact CE2-CD1 4.29Å; F158-Y161 WeakPolarHBondContact O-CB 3.47Å; F158-Y161 PolarHBondContact O-N 3.42Å; F158-Y161 VanDerWaalsContact O-N 3.13Å; S159-Y161 VanDerWaalsContact C-N 3.3Å; S159-Y161 PolarHBondContact O-N 2.93Å; Y161-E163 PolarHBondContact O-N 2.74Å; Y161-S164 VanDerWaalsContact O-CB 3.28Å; Y161-S164 WeakPolarHBondContact O-CB 3.32Å; Y161-S164 PolarHBondContact O-N 3.23Å; Y161-S164 PolarHBondContact O-OG 3.43Å; Y161-F167 HydrophobicContact CD1-CB 4.47Å; Y161-F167 HydrophobicContact CD1-CD2 4.26Å; Y161-F167 HydrophobicContact CE1-CB 4.2Å; Y161-F167 AromaticContact CE1-CD2 3.6Å; Y161-F167 HydrophobicContact CE1-CD2 3.6Å; Y161-F167 HydrophobicContact CE1-CE2 4.44Å; Y161-F167 HydrophobicContact CE1-CG 4.33Å; Y161-F167 HydrophobicContact CE2-CB 4.3Å; Y161-F167 AromaticContact CZ-CD2 3.99Å; Y161-F167 WeakPolarHBondContact O-CB 3.36Å
162	Q	96.9	Very high	97.1	Very high	23 Å²	23	33.9 Å²	33.9	11%	0.107	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-23.8	-179.8	-68.4	177	-41	0	0	113.5	F158 S159 F167	F158-Q162 HydrophobicContact CD2-CG 4.47Å; F158-Q162 HydrophobicContact CE2-CG 4.2Å; F158-Q162 HydrophobicContact CZ-CG 4.35Å; F158-Q162 VanDerWaalsContact CZ-NE2 3.29Å; F158-Q162 WeakPolarHBondContact O-CG 3.47Å; F158-Q162 PolarHBondContact O-N 2.71Å; S159-Q162 WeakPolarHBondContact O-CB 3.4Å; S159-Q162 PolarHBondContact O-N 3.47Å; Q162-F167 HydrophobicContact CB-CD1 4.24Å; Q162-F167 HydrophobicContact CB-CE1 4.44Å; Q162-F167 HydrophobicContact CB-CG 4.45Å; Q162-F167 HydrophobicContact CG-CE2 4.48Å; Q162-F167 HydrophobicContact CG-CZ 4.49Å; Q162-F167 WeakPolarHBondContact O-CD1 3.37Å
163	E	95.4	Very high	97.1	Very high	172 Å²	172	29.5 Å²	29.5	80%	0.804	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.2	175.4	-64.2	178.4	178.6	0	0	113	S159 Y161	S159-E163 PolarHBondContact O-N 2.97Å; Y161-E163 PolarHBondContact O-N 2.74Å
164	S	95.2	Very high	97.2	Very high	18 Å²	18	30 Å²	30	13%	0.126	18%	0.181	C	C	.	.	S	Bend	trans	-83.4	165.4	-174.7	80.2	0	0	0	0	113.7	Y161 Y166 F167 S168	Y161-S164 VanDerWaalsContact O-CB 3.28Å; Y161-S164 WeakPolarHBondContact O-CB 3.32Å; Y161-S164 PolarHBondContact O-N 3.23Å; Y161-S164 PolarHBondContact O-OG 3.43Å; S164-Y166 PolarHBondContact O-N 3.25Å; S164-Y166 PolarHBondContact OG-N 3.31Å; S164-F167 PolarHBondContact O-N 3.14Å; S164-S168 PolarHBondContact O-N 3.26Å; S164-S168 PolarHBondContact O-OG 3.47Å
165	M	94.8	Very high	97.2	Very high	71 Å²	71	31.3 Å²	31.3	35%	0.35	18%	0.179	S	C	.	.	H	α-helix	trans	-62.6	-25.5	171.2	72.8	171.7	-158.7	0	0	113	S168 R169 Y527 L533	M165-S168 WeakPolarHBondContact O-CB 3.49Å; M165-S168 PolarHBondContact O-N 3.45Å; M165-R169 WeakPolarHBondContact O-CB 3.14Å; M165-R169 PolarHBondContact O-N 2.9Å; M165-Y527 HydrophobicContact CE-CD1 3.43Å; M165-Y527 VanDerWaalsContact CE-CD1 3.43Å; M165-Y527 HydrophobicContact CE-CE1 3.93Å; M165-Y527 HydrophobicContact CE-CG 3.81Å; M165-Y527 HydrophobicContact SD-CD1 4.05Å; M165-L533 HydrophobicContact SD-CD1 4.22Å
166	Y	96.6	Very high	97.2	Very high	37 Å²	37	30.4 Å²	30.4	15%	0.145	17%	0.167	C	C	.	.	H	α-helix	trans	-67.9	-39.5	179.2	-61.7	-86.8	0	0	0	111.4	Q69 Y70 T73 S164 R169 F170 Y527	Q69-Y166 HydrophobicContact CB-CD1 3.94Å; Q69-Y166 HydrophobicContact CB-CE1 3.74Å; Y70-Y166 AromaticContact CD2-CD2 3.73Å; Y70-Y166 HydrophobicContact CD2-CD2 3.73Å; Y70-Y166 HydrophobicContact CD2-CE2 4.13Å; Y70-Y166 HydrophobicContact CG-CD2 4.26Å; T73-Y166 HydrophobicContact CG2-CE2 4.32Å; T73-Y166 VanDerWaalsContact CG2-OH 3.28Å; T73-Y166 WeakPolarHBondContact CG2-OH 3.3Å; S164-Y166 PolarHBondContact O-N 3.25Å; S164-Y166 PolarHBondContact OG-N 3.31Å; Y166-R169 WeakPolarHBondContact O-CB 3.42Å; Y166-R169 PolarHBondContact O-N 2.88Å; Y166-F170 PolarHBondContact O-N 3.47Å; Y166-Y527 HydrophobicContact CD1-CE1 4.24Å; Y166-Y527 AromaticContact CD1-CZ 3.95Å; Y166-Y527 HydrophobicContact CE1-CE1 4.43Å; Y166-Y527 HydrophobicContact CE1-CE2 4.49Å
167	F	97.2	Very high	97.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-70.5	-36.8	172.8	-172.7	-111.7	0	0	0	111.8	I49 L56 Y161 Q162 S164 R169 F170 L171	I49-F167 HydrophobicContact CG2-CZ 4.13Å; L56-F167 HydrophobicContact CD1-CE2 4.08Å; Y161-F167 HydrophobicContact CD1-CB 4.47Å; Y161-F167 HydrophobicContact CD1-CD2 4.26Å; Y161-F167 HydrophobicContact CE1-CB 4.2Å; Y161-F167 AromaticContact CE1-CD2 3.6Å; Y161-F167 HydrophobicContact CE1-CD2 3.6Å; Y161-F167 HydrophobicContact CE1-CE2 4.44Å; Y161-F167 HydrophobicContact CE1-CG 4.33Å; Y161-F167 HydrophobicContact CE2-CB 4.3Å; Y161-F167 AromaticContact CZ-CD2 3.99Å; Y161-F167 WeakPolarHBondContact O-CB 3.36Å; Q162-F167 HydrophobicContact CB-CD1 4.24Å; Q162-F167 HydrophobicContact CB-CE1 4.44Å; Q162-F167 HydrophobicContact CB-CG 4.45Å; Q162-F167 HydrophobicContact CG-CE2 4.48Å; Q162-F167 HydrophobicContact CG-CZ 4.49Å; Q162-F167 WeakPolarHBondContact O-CD1 3.37Å; S164-F167 PolarHBondContact O-N 3.14Å; F167-R169 VanDerWaalsContact C-N 3.27Å; F167-R169 PolarHBondContact O-N 3.26Å; F167-F170 HydrophobicContact CD2-CB 4.4Å; F167-F170 AromaticContact CD2-CD1 3.95Å; F167-F170 HydrophobicContact CD2-CD1 3.95Å; F167-F170 AromaticContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CE1 4.19Å; F167-F170 WeakPolarHBondContact O-CB 3.39Å; F167-F170 PolarHBondContact O-N 3.2Å; F167-F170 VanDerWaalsContact O-N 3.11Å; F167-L171 HydrophobicContact CD1-CD1 4.1Å; F167-L171 HydrophobicContact CD1-CG 4.33Å; F167-L171 HydrophobicContact CE1-CD1 3.95Å; F167-L171 HydrophobicContact CE1-CD2 4.14Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CZ-CD2 4.07Å; F167-L171 HydrophobicContact CZ-CG 4.41Å; F167-L171 WeakPolarHBondContact O-CG 3.44Å; F167-L171 PolarHBondContact O-N 3.48Å
168	S	96.1	Very high	97.2	Very high	16 Å²	16	33.9 Å²	33.9	11%	0.112	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-41.5	171.3	-64.8	0	0	0	0	111.8	I39 R46 S164 M165 L171 Q172	I39-S168 WeakPolarHBondContact CD1-O 3.41Å; R46-S168 PolarHBondContact NH2-OG 2.87Å; S164-S168 PolarHBondContact O-N 3.26Å; S164-S168 PolarHBondContact O-OG 3.47Å; M165-S168 WeakPolarHBondContact O-CB 3.49Å; M165-S168 PolarHBondContact O-N 3.45Å; S168-L171 WeakPolarHBondContact O-CB 3.48Å; S168-L171 PolarHBondContact O-N 3.43Å; S168-Q172 PolarHBondContact O-N 3.15Å
169	R	97.2	Very high	97.1	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-40	172.8	179.9	50.4	62.1	94.7	-13.2	112.5	L66 M165 Y166 F167 L171 Q172 W173 N525 I526 Y527 D536 L537	L66-R169 HydrophobicContact CD1-CG 4.48Å; L66-R169 HydrophobicContact CD2-CB 4.48Å; L66-R169 HydrophobicContact CD2-CG 4Å; M165-R169 WeakPolarHBondContact O-CB 3.14Å; M165-R169 PolarHBondContact O-N 2.9Å; Y166-R169 WeakPolarHBondContact O-CB 3.42Å; Y166-R169 PolarHBondContact O-N 2.88Å; F167-R169 VanDerWaalsContact C-N 3.27Å; F167-R169 PolarHBondContact O-N 3.26Å; R169-L171 VanDerWaalsContact C-N 3.28Å; R169-L171 PolarHBondContact O-N 2.59Å; R169-Q172 WeakPolarHBondContact O-CB 3.36Å; R169-Q172 PolarHBondContact O-N 3.34Å; R169-W173 VanDerWaalsContact O-CD1 3.25Å; R169-W173 PolarHBondContact O-N 2.87Å; R169-W173 VanDerWaalsContact O-N 3.11Å; R169-N525 WeakPolarHBondContact CD-OD1 3.43Å; R169-N525 WeakPolarHBondContact CG-OD1 3.48Å; R169-N525 PolarHBondContact NH1-OD1 3.08Å; R169-N525 VanDerWaalsContact NH1-OD1 3.11Å; R169-I526 PolarHBondContact NH1-O 3.39Å; R169-I526 PolarHBondContact NH2-O 3.18Å; R169-Y527 HydrophobicContact CB-CE1 3.94Å; R169-Y527 HydrophobicContact CG-CE1 3.97Å; R169-D536 IonicContact CZ-OD2 2.64Å; R169-D536 IonicContact NH2-OD2 3.79Å; R169-D536 PolarHBondContact NH2-OD2 2.93Å; R169-L537 HydrophobicContact CB-CD2 4.38Å; R169-L537 VanDerWaalsContact NH2-CD1 3.3Å
170	F	98.1	Very high	97	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-42.5	172.8	172.7	-102.4	0	0	0	111.5	I49 L56 I62 L66 Y166 F167 Q172 W173 K174	I49-F170 HydrophobicContact CD1-CD1 4.49Å; I49-F170 HydrophobicContact CD1-CE1 3.59Å; I49-F170 HydrophobicContact CD1-CZ 4.35Å; L56-F170 HydrophobicContact CD2-CE1 3.66Å; L56-F170 HydrophobicContact CD2-CZ 3.67Å; I62-F170 HydrophobicContact CG2-CD2 4.4Å; L66-F170 VanDerWaalsContact CD1-CA 3.43Å; L66-F170 HydrophobicContact CD1-CB 3.55Å; L66-F170 HydrophobicContact CD1-CD2 4.18Å; L66-F170 HydrophobicContact CD1-CG 4.37Å; Y166-F170 PolarHBondContact O-N 3.47Å; F167-F170 HydrophobicContact CD2-CB 4.4Å; F167-F170 AromaticContact CD2-CD1 3.95Å; F167-F170 HydrophobicContact CD2-CD1 3.95Å; F167-F170 AromaticContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CD1 3.72Å; F167-F170 HydrophobicContact CE2-CE1 4.19Å; F167-F170 WeakPolarHBondContact O-CB 3.39Å; F167-F170 PolarHBondContact O-N 3.2Å; F167-F170 VanDerWaalsContact O-N 3.11Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 2.96Å; F170-W173 WeakPolarHBondContact O-CB 3.39Å; F170-W173 PolarHBondContact O-N 3.42Å; F170-K174 HydrophobicContact CZ-CD 4.27Å; F170-K174 WeakPolarHBondContact O-CB 3.48Å; F170-K174 PolarHBondContact O-N 3.48Å
171	L	97.9	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-37	177.4	-64.1	171.4	0	0	0	112.6	C42 L45 R46 I49 F167 S168 R169 K174 W175	C42-L171 HydrophobicContact CB-CB 3.96Å; L45-L171 HydrophobicContact CD2-CD2 4.32Å; L45-L171 WeakPolarHBondContact CD2-O 3.27Å; L45-L171 HydrophobicContact CG-CD2 4.01Å; R46-L171 HydrophobicContact CB-CD1 3.72Å; R46-L171 HydrophobicContact CG-CD1 3.94Å; I49-L171 HydrophobicContact CD1-CD2 4.21Å; I49-L171 HydrophobicContact CG2-CD2 4.2Å; F167-L171 HydrophobicContact CD1-CD1 4.1Å; F167-L171 HydrophobicContact CD1-CG 4.33Å; F167-L171 HydrophobicContact CE1-CD1 3.95Å; F167-L171 HydrophobicContact CE1-CD2 4.14Å; F167-L171 HydrophobicContact CE1-CG 4.12Å; F167-L171 HydrophobicContact CZ-CD2 4.07Å; F167-L171 HydrophobicContact CZ-CG 4.41Å; F167-L171 WeakPolarHBondContact O-CG 3.44Å; F167-L171 PolarHBondContact O-N 3.48Å; S168-L171 WeakPolarHBondContact O-CB 3.48Å; S168-L171 PolarHBondContact O-N 3.43Å; R169-L171 VanDerWaalsContact C-N 3.28Å; R169-L171 PolarHBondContact O-N 2.59Å; L171-K174 PolarHBondContact O-N 3.17Å; L171-W175 WeakPolarHBondContact O-CB 3.4Å; L171-W175 PolarHBondContact O-N 2.8Å
172	Q	97.9	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-42.3	173.6	-67	173.9	-54.8	0	0	112	L36 P37 I39 S168 R169 F170 W175 L176 D536	L36-Q172 HydrophobicContact CB-CB 4.35Å; L36-Q172 HydrophobicContact CD2-CB 3.84Å; P37-Q172 HydrophobicContact CG-CB 4.13Å; P37-Q172 HydrophobicContact CG-CG 4.21Å; P37-Q172 PolarHBondContact O-NE2 2.95Å; I39-Q172 HydrophobicContact CD1-CG 4.31Å; S168-Q172 PolarHBondContact O-N 3.15Å; R169-Q172 WeakPolarHBondContact O-CB 3.36Å; R169-Q172 PolarHBondContact O-N 3.34Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 2.96Å; Q172-W175 WeakPolarHBondContact O-CB 3.43Å; Q172-W175 PolarHBondContact O-N 2.7Å; Q172-L176 PolarHBondContact O-N 2.63Å; Q172-L176 VanDerWaalsContact O-N 3.11Å; Q172-D536 PolarHBondContact NE2-O 3.08Å; Q172-D536 VanDerWaalsContact NE2-O 3.12Å; Q172-D536 PolarHBondContact NE2-OD2 2.99Å; Q172-D536 PolarHBondContact OE1-OD2 3.03Å
173	W	98.3	Very high	96.9	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-42.2	173.7	-79.6	108.6	0	0	0	112.1	L36 I62 R169 F170 W175 L176 E177 W511 M515 F521 I524 N525	L36-W173 HydrophobicContact CD2-CD2 4.1Å; L36-W173 HydrophobicContact CD2-CG 4.33Å; L36-W173 HydrophobicContact CD2-CZ2 4.49Å; I62-W173 HydrophobicContact CD1-CB 4.47Å; I62-W173 HydrophobicContact CD1-CD2 4.02Å; I62-W173 HydrophobicContact CD1-CE3 3.87Å; I62-W173 HydrophobicContact CD1-CG 4.29Å; I62-W173 HydrophobicContact CD1-CZ3 4.47Å; I62-W173 HydrophobicContact CG2-CB 4.09Å; I62-W173 HydrophobicContact CG2-CG 4Å; R169-W173 VanDerWaalsContact O-CD1 3.25Å; R169-W173 PolarHBondContact O-N 2.87Å; R169-W173 VanDerWaalsContact O-N 3.11Å; F170-W173 WeakPolarHBondContact O-CB 3.39Å; F170-W173 PolarHBondContact O-N 3.42Å; W173-W175 VanDerWaalsContact C-N 3.29Å; W173-W175 PolarHBondContact O-N 3.33Å; W173-L176 HydrophobicContact CE3-CD1 4.3Å; W173-L176 HydrophobicContact CZ3-CD1 4.36Å; W173-L176 WeakPolarHBondContact O-CB 3.47Å; W173-L176 PolarHBondContact O-N 3.02Å; W173-E177 PolarHBondContact O-N 2.6Å; W173-W511 AromaticContact CE3-CH2 3.96Å; W173-W511 HydrophobicContact CE3-CH2 3.96Å; W173-W511 HydrophobicContact CE3-CZ3 4.26Å; W173-W511 HydrophobicContact CZ3-CH2 4.39Å; W173-M515 HydrophobicContact CZ3-CB 4.32Å; W173-M515 HydrophobicContact CZ3-CG 4.09Å; W173-M515 HydrophobicContact CZ3-SD 4.41Å; W173-F521 HydrophobicContact CD2-CD2 4.12Å; W173-F521 HydrophobicContact CD2-CE2 4.48Å; W173-F521 AromaticContact CE2-CD2 3.5Å; W173-F521 VanDerWaalsContact CE2-CD2 3.5Å; W173-F521 AromaticContact CE2-CE2 3.83Å; W173-F521 HydrophobicContact CH2-CB 4.36Å; W173-F521 HydrophobicContact CH2-CD2 4.19Å; W173-F521 HydrophobicContact CZ2-CB 4.4Å; W173-F521 AromaticContact CZ2-CD2 3.56Å; W173-F521 HydrophobicContact CZ2-CD2 3.56Å; W173-F521 HydrophobicContact CZ2-CE2 4.24Å; W173-F521 HydrophobicContact CZ2-CG 4.34Å; W173-F521 AromaticContact NE1-CD2 3.68Å; W173-F521 AromaticContact NE1-CE2 3.47Å; W173-I524 HydrophobicContact CH2-CB 3.85Å; W173-I524 HydrophobicContact CH2-CD1 4.25Å; W173-I524 HydrophobicContact CH2-CG2 3.92Å; W173-I524 HydrophobicContact CZ2-CB 3.92Å; W173-I524 HydrophobicContact CZ2-CG2 3.84Å; W173-N525 HydrophobicContact CZ2-CB 4.12Å; W173-N525 PolarHBondContact NE1-OD1 3.39Å
174	K	97.9	Very high	96.9	Very high	17 Å²	17	42.3 Å²	42.3	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-31.8	177.8	-167.8	69.8	171.7	178.5	0	112.2	L45 I49 F170 L171 E177 R178 S508	L45-K174 HydrophobicContact CD1-CG 4.25Å; L45-K174 HydrophobicContact CD2-CB 3.77Å; L45-K174 HydrophobicContact CD2-CG 3.85Å; L45-K174 HydrophobicContact CG-CG 4.49Å; I49-K174 HydrophobicContact CD1-CG 4.14Å; F170-K174 HydrophobicContact CZ-CD 4.27Å; F170-K174 WeakPolarHBondContact O-CB 3.48Å; F170-K174 PolarHBondContact O-N 3.48Å; L171-K174 PolarHBondContact O-N 3.17Å; K174-E177 WeakPolarHBondContact CD-OE1 3.5Å; K174-E177 VanDerWaalsContact CE-OE1 3.23Å; K174-E177 WeakPolarHBondContact CE-OE1 3.47Å; K174-E177 IonicContact NZ-OE1 3.91Å; K174-E177 PolarHBondContact NZ-OE1 3.06Å; K174-E177 IonicContact NZ-OE2 3.5Å; K174-R178 WeakPolarHBondContact O-CG 3.37Å; K174-R178 PolarHBondContact O-N 3.31Å; K174-S508 PolarHBondContact NZ-OG 3Å
175	W	97.6	Very high	97.1	Very high	70 Å²	70	43.2 Å²	43.2	27%	0.265	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-40.6	171.5	-177.1	99.9	0	0	0	112	P37 L45 L171 Q172 W173 R178 Q179	P37-W175 HydrophobicContact CB-CD2 3.81Å; P37-W175 HydrophobicContact CB-CE3 3.76Å; P37-W175 HydrophobicContact CB-CG 4.33Å; P37-W175 HydrophobicContact CB-CH2 4.38Å; P37-W175 HydrophobicContact CB-CZ2 4.41Å; P37-W175 HydrophobicContact CB-CZ3 4.06Å; P37-W175 HydrophobicContact CG-CB 3.93Å; P37-W175 HydrophobicContact CG-CD2 3.58Å; P37-W175 HydrophobicContact CG-CE3 3.51Å; P37-W175 HydrophobicContact CG-CG 3.77Å; P37-W175 HydrophobicContact CG-CZ3 4.24Å; L45-W175 HydrophobicContact CD2-CB 4.21Å; L171-W175 WeakPolarHBondContact O-CB 3.4Å; L171-W175 PolarHBondContact O-N 2.8Å; Q172-W175 WeakPolarHBondContact O-CB 3.43Å; Q172-W175 PolarHBondContact O-N 2.7Å; W173-W175 VanDerWaalsContact C-N 3.29Å; W173-W175 PolarHBondContact O-N 3.33Å; W175-R178 PolarHBondContact O-N 2.97Å; W175-Q179 VanDerWaalsContact CD2-NE2 3.35Å; W175-Q179 HydrophobicContact CE3-CG 4.15Å; W175-Q179 VanDerWaalsContact CH2-CD 3.43Å; W175-Q179 HydrophobicContact CH2-CG 4.24Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.27Å; W175-Q179 HydrophobicContact CZ3-CG 3.85Å; W175-Q179 PolarHBondContact O-NE2 3.33Å
176	L	97.7	Very high	97.2	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-43.1	174.2	-80	179.3	0	0	0	111.9	L36 Q172 W173 R178 Q179 W511	L36-L176 HydrophobicContact CD2-CD1 3.56Å; L36-L176 HydrophobicContact CD2-CG 4.38Å; L36-L176 HydrophobicContact CG-CD1 4.38Å; Q172-L176 PolarHBondContact O-N 2.63Å; Q172-L176 VanDerWaalsContact O-N 3.11Å; W173-L176 HydrophobicContact CE3-CD1 4.3Å; W173-L176 HydrophobicContact CZ3-CD1 4.36Å; W173-L176 WeakPolarHBondContact O-CB 3.47Å; W173-L176 PolarHBondContact O-N 3.02Å; L176-R178 PolarHBondContact O-N 3.36Å; L176-Q179 WeakPolarHBondContact O-CB 3.46Å; L176-Q179 WeakPolarHBondContact O-CG 3.12Å; L176-Q179 PolarHBondContact O-N 2.93Å; L176-Q179 VanDerWaalsContact O-N 3.16Å; L176-W511 HydrophobicContact CB-CH2 3.91Å; L176-W511 HydrophobicContact CB-CZ2 4.13Å
177	E	97.7	Very high	97.2	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-55.1	-41	176.6	-174.5	-172.2	87.8	0	0	111.8	W173 K174 Q179 S506 S508 W511 Q512	W173-E177 PolarHBondContact O-N 2.6Å; K174-E177 WeakPolarHBondContact CD-OE1 3.5Å; K174-E177 VanDerWaalsContact CE-OE1 3.23Å; K174-E177 WeakPolarHBondContact CE-OE1 3.47Å; K174-E177 IonicContact NZ-OE1 3.91Å; K174-E177 PolarHBondContact NZ-OE1 3.06Å; K174-E177 IonicContact NZ-OE2 3.5Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 2.84Å; E177-S506 WeakPolarHBondContact O-CB 3.27Å; E177-S506 PolarHBondContact O-OG 2.96Å; E177-S508 VanDerWaalsContact CD-OG 3.27Å; E177-S508 WeakPolarHBondContact OE1-CB 3.45Å; E177-S508 PolarHBondContact OE1-OG 3.06Å; E177-S508 VanDerWaalsContact OE2-CA 3.22Å; E177-S508 WeakPolarHBondContact OE2-CA 3.37Å; E177-S508 VanDerWaalsContact OE2-CB 3.32Å; E177-S508 WeakPolarHBondContact OE2-CB 3.28Å; E177-S508 PolarHBondContact OE2-OG 3.45Å; E177-W511 HydrophobicContact CB-CD2 3.98Å; E177-W511 HydrophobicContact CB-CE3 3.68Å; E177-W511 HydrophobicContact CB-CH2 4Å; E177-W511 HydrophobicContact CB-CZ2 4.26Å; E177-W511 HydrophobicContact CB-CZ3 3.7Å; E177-W511 HydrophobicContact CG-CB 4.48Å; E177-W511 HydrophobicContact CG-CD2 3.82Å; E177-W511 HydrophobicContact CG-CE3 3.69Å; E177-W511 HydrophobicContact CG-CG 4.16Å; E177-W511 HydrophobicContact CG-CZ3 4.24Å; E177-Q512 PolarHBondContact OE2-NE2 3.45Å
178	R	96.1	Very high	97.1	Very high	141 Å²	141	45.9 Å²	45.9	53%	0.532	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	1.2	-177.9	-71.6	-173.2	177.2	-173.6	3.1	114.7	L45 K174 W175 L176	L45-R178 VanDerWaalsContact CD1-CZ 3.4Å; K174-R178 WeakPolarHBondContact O-CG 3.37Å; K174-R178 PolarHBondContact O-N 3.31Å; W175-R178 PolarHBondContact O-N 2.97Å; L176-R178 PolarHBondContact O-N 3.36Å
179	Q	96.6	Very high	97	Very high	74 Å²	74	47.6 Å²	47.6	35%	0.346	23%	0.226	S	C	.	.	S	Bend	trans	-66.3	146.3	177.3	-66	-53.9	-65.3	0	0	111.6	W175 L176 E177 V181	W175-Q179 VanDerWaalsContact CD2-NE2 3.35Å; W175-Q179 HydrophobicContact CE3-CG 4.15Å; W175-Q179 VanDerWaalsContact CH2-CD 3.43Å; W175-Q179 HydrophobicContact CH2-CG 4.24Å; W175-Q179 VanDerWaalsContact CZ2-NE2 3.27Å; W175-Q179 HydrophobicContact CZ3-CG 3.85Å; W175-Q179 PolarHBondContact O-NE2 3.33Å; L176-Q179 WeakPolarHBondContact O-CB 3.46Å; L176-Q179 WeakPolarHBondContact O-CG 3.12Å; L176-Q179 PolarHBondContact O-N 2.93Å; L176-Q179 VanDerWaalsContact O-N 3.16Å; E177-Q179 VanDerWaalsContact C-N 3.3Å; E177-Q179 PolarHBondContact O-N 2.84Å; Q179-V181 PolarHBondContact O-N 3.28Å
180	P	96.3	Very high	96.7	Very high	107 Å²	107	48.2 Å²	48.2	70%	0.695	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-57.6	132.4	-178.2	-26	34.5	0	0	0	113.3
181	V	97.7	Very high	96.4	Very high	18 Å²	18	49.4 Å²	49.4	11%	0.109	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-95.2	129.9	176.1	-177.8	0	0	0	0	109.1	Q179 T185 F186 Y251 Y253	Q179-V181 PolarHBondContact O-N 3.28Å; V181-T185 HydrophobicContact CG1-CG2 4.48Å; V181-F186 HydrophobicContact CG1-CE2 3.63Å; V181-F186 HydrophobicContact CG1-CZ 3.9Å; V181-Y251 HydrophobicContact CG1-CD1 4.08Å; V181-Y251 HydrophobicContact CG2-CD1 3.8Å; V181-Y251 HydrophobicContact CG2-CE1 4.38Å; V181-Y253 HydrophobicContact CG1-CD1 4.05Å; V181-Y253 HydrophobicContact CG1-CG 4.03Å
182	T	96.4	Very high	96.1	Very high	60 Å²	60	51 Å²	51	37%	0.368	24%	0.244	S	C	.	.			trans	-136.4	174	179.4	69.8	0	0	0	0	110.5	N184 T185	T182-N184 PolarHBondContact O-N 2.51Å; T182-N184 PolarHBondContact OG1-N 3.42Å; T182-T185 PolarHBondContact N-OG1 2.98Å; T182-T185 VanDerWaalsContact O-CB 3.27Å; T182-T185 WeakPolarHBondContact O-CB 3.37Å; T182-T185 PolarHBondContact O-N 3.05Å; T182-T185 PolarHBondContact O-OG1 3.08Å
183	K	95.9	Very high	95.6	Very high	131 Å²	131	52.1 Å²	52.1	57%	0.57	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-51.7	-26.4	171.3	72.1	178.2	-176.2	178.7	0	113.6	T185 F186 T255	K183-T185 VanDerWaalsContact C-N 3.26Å; K183-T185 PolarHBondContact O-N 2.6Å; K183-F186 PolarHBondContact O-N 3.36Å; K183-T255 HydrophobicContact CB-CG2 4.34Å
184	N	96.4	Very high	95.1	Very high	100 Å²	100	55.4 Å²	55.4	54%	0.535	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-77.2	-11.6	-178.1	-65.7	-30.8	0	0	0	113.4	T182 F186 R206	T182-N184 PolarHBondContact O-N 2.51Å; T182-N184 PolarHBondContact OG1-N 3.42Å; N184-F186 VanDerWaalsContact C-N 3.27Å; N184-R206 WeakPolarHBondContact O-CD 3.48Å; N184-R206 PolarHBondContact O-NH1 3.22Å
185	T	97.9	Very high	94.4	Very high	37 Å²	37	55.6 Å²	55.6	23%	0.227	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-68.9	-28.3	173.7	-54.8	0	0	0	0	111.2	V181 T182 K183 V205 R206	V181-T185 HydrophobicContact CG1-CG2 4.48Å; T182-T185 PolarHBondContact N-OG1 2.98Å; T182-T185 VanDerWaalsContact O-CB 3.27Å; T182-T185 WeakPolarHBondContact O-CB 3.37Å; T182-T185 PolarHBondContact O-N 3.05Å; T182-T185 PolarHBondContact O-OG1 3.08Å; K183-T185 VanDerWaalsContact C-N 3.26Å; K183-T185 PolarHBondContact O-N 2.6Å; T185-V205 HydrophobicContact CG2-CG1 4.4Å; T185-R206 WeakPolarHBondContact O-CB 3.31Å; T185-R206 WeakPolarHBondContact O-CG 3.35Å; T185-R206 PolarHBondContact O-N 2.82Å
186	F	97.9	Very high	93.7	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.044	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151	-169.4	-51.3	-81.6	0	0	0	113.6	V181 K183 N184 C203 Q204 V205 Y251 Y253 V262	V181-F186 HydrophobicContact CG1-CE2 3.63Å; V181-F186 HydrophobicContact CG1-CZ 3.9Å; K183-F186 PolarHBondContact O-N 3.36Å; N184-F186 VanDerWaalsContact C-N 3.27Å; F186-C203 HydrophobicContact CB-CB 4.41Å; F186-Q204 CarbonylContact C-O 3.55Å; F186-Q204 VanDerWaalsContact CA-O 3.27Å; F186-Q204 WeakPolarHBondContact CA-O 3.4Å; F186-V205 HydrophobicContact CD1-CG2 3.89Å; F186-V205 HydrophobicContact CE1-CG2 3.62Å; F186-Y251 AromaticContact CE1-CD2 3.89Å; F186-Y251 HydrophobicContact CE1-CD2 3.89Å; F186-Y251 HydrophobicContact CE1-CE2 4.11Å; F186-Y251 HydrophobicContact CE1-CG 4.29Å; F186-Y251 HydrophobicContact CZ-CD1 4.16Å; F186-Y251 AromaticContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CE2 4.35Å; F186-Y251 AromaticContact CZ-CG 3.74Å; F186-Y251 HydrophobicContact CZ-CG 3.74Å; F186-Y253 AromaticContact CD2-CE1 3.82Å; F186-Y253 HydrophobicContact CD2-CE1 3.82Å; F186-Y253 AromaticContact CD2-CZ 3.84Å; F186-Y253 AromaticContact CE2-CD1 3.78Å; F186-Y253 HydrophobicContact CE2-CD1 3.78Å; F186-Y253 AromaticContact CE2-CE1 3.37Å; F186-Y253 HydrophobicContact CE2-CE1 3.37Å; F186-Y253 AromaticContact CE2-CZ 3.85Å; F186-Y253 HydrophobicContact CZ-CD1 4.43Å; F186-Y253 HydrophobicContact CZ-CE1 4.15Å; F186-V262 HydrophobicContact CE1-CG1 4.04Å; F186-V262 HydrophobicContact CE1-CG2 4.04Å; F186-V262 HydrophobicContact CE2-CG2 4.26Å; F186-V262 HydrophobicContact CZ-CG2 3.79Å
187	R	96.6	Very high	93.3	Very high	80 Å²	80	55 Å²	55	30%	0.302	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.9	156.7	-55.6	-174	-171.9	107.3	-1	108.1	G25 Y189 C203 Q204 R206	G25-R187 PolarHBondContact O-NH1 2.62Å; R187-Y189 HydrophobicContact CB-CE2 4.26Å; R187-C203 CarbonylContact O-C 3.54Å; R187-C203 WeakPolarHBondContact O-CA 3.4Å; R187-C203 WeakPolarHBondContact O-CB 3.39Å; R187-Q204 PolarHBondContact N-O 2.93Å; R187-Q204 PolarHBondContact O-N 2.79Å; R187-R206 HydrophobicContact CG-CG 3.67Å
188	H	94.9	Very high	93	Very high	75 Å²	75	54.8 Å²	54.8	35%	0.347	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	146.7	178.8	-67.2	67	0	0	0	110.1
189	Y	94.1	Very high	92.9	Very high	53 Å²	53	51.3 Å²	51.3	21%	0.208	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-154.8	-180	-61.9	-83.1	0	0	0	109.4	V11 A15 R187 A202 Q204 M211	V11-Y189 HydrophobicContact CG1-CD1 3.71Å; V11-Y189 HydrophobicContact CG1-CE1 3.8Å; A15-Y189 HydrophobicContact CB-CD1 4.42Å; A15-Y189 HydrophobicContact CB-CE1 3.74Å; A15-Y189 HydrophobicContact CB-CE2 4.26Å; R187-Y189 HydrophobicContact CB-CE2 4.26Å; Y189-A202 PolarHBondContact N-O 2.84Å; Y189-Q204 HydrophobicContact CE2-CB 3.62Å; Y189-Q204 PolarHBondContact OH-OE1 3.16Å; Y189-M211 HydrophobicContact CD2-CE 4.09Å; Y189-M211 HydrophobicContact CE2-CE 4.14Å; Y189-M211 HydrophobicContact CE2-SD 4.19Å
190	R	90.4	Very high	92.8	Very high	13 Å²	13	49.4 Å²	49.4	5%	0.049	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	152.8	-176.5	70.5	163.3	-73.1	-177.2	-0.9	113.4	A8 N9 L12 L192 C201 A202 C474 K475 V477	A8-R190 HydrophobicContact CB-CB 3.91Å; N9-R190 WeakPolarHBondContact OD1-CD 3.33Å; N9-R190 PolarHBondContact OD1-NH1 3.16Å; L12-R190 HydrophobicContact CB-CG 4.22Å; L12-R190 HydrophobicContact CD2-CG 3.7Å; L12-R190 HydrophobicContact CG-CG 4.46Å; R190-L192 HydrophobicContact CG-CD2 4.34Å; R190-C201 WeakPolarHBondContact O-CA 3.4Å; R190-C201 WeakPolarHBondContact O-CB 3.2Å; R190-A202 PolarHBondContact O-N 3.08Å; R190-C474 VanDerWaalsContact CZ-SG 3.56Å; R190-C474 PolarHBondContact NH2-SG 3.39Å; R190-K475 PolarHBondContact NH2-O 3.28Å; R190-V477 HydrophobicContact CB-CG2 4.39Å
191	V	91.9	Very high	92.7	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.158	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.1	166.9	-177.3	0	0	0	0	108.8	G193 E199 V200 C201 I480	V191-G193 WeakPolarHBondContact CG1-O 3.17Å; V191-E199 HydrophobicContact CG1-CB 4.21Å; V191-V200 WeakPolarHBondContact CG1-O 3.42Å; V191-C201 HydrophobicContact CG2-CB 4.47Å; V191-I480 HydrophobicContact CB-CD1 4.25Å; V191-I480 HydrophobicContact CG1-CD1 3.85Å; V191-I480 HydrophobicContact CG1-CG2 4.2Å
192	L	90.8	Very high	92.7	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.183	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-32.7	179.7	-58.4	176.9	0	0	0	111.2	L12 R190 V200 A202 A213 L265 C474	L12-L192 HydrophobicContact CD2-CD2 4.25Å; R190-L192 HydrophobicContact CG-CD2 4.34Å; L192-V200 PolarHBondContact N-O 2.86Å; L192-A202 HydrophobicContact CD1-CB 4.11Å; L192-A202 HydrophobicContact CD2-CB 4.28Å; L192-A202 HydrophobicContact CG-CB 4.32Å; L192-A213 HydrophobicContact CD1-CB 4.46Å; L192-L265 HydrophobicContact CD1-CD1 3.62Å; L192-C474 WeakPolarHBondContact O-CB 3.35Å
193	G	88.8	Confident	92.7	Very high	22 Å²	22	40.7 Å²	40.7	23%	0.227	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-177.8	-178.9	0	0	0	0	0	113.2	V191 V200	V191-G193 WeakPolarHBondContact CG1-O 3.17Å; G193-V200 PolarHBondContact N-O 3.45Å; G193-V200 PolarHBondContact O-N 3.45Å
194	K	86.3	Confident	92.8	Very high	73 Å²	73	34.6 Å²	34.6	32%	0.317	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	127.2	-177.6	-176.9	-170.3	-172.4	169.6	0	109.5	I480 E481 F483	K194-I480 HydrophobicContact CB-CG2 4.03Å; K194-E481 HydrophobicContact CD-CB 4.17Å; K194-E481 WeakPolarHBondContact CD-O 3.13Å; K194-E481 WeakPolarHBondContact CE-O 3.45Å; K194-E481 PolarHBondContact NZ-O 3.15Å; K194-E481 IonicContact NZ-OE2 3.76Å; K194-E481 PolarHBondContact NZ-OE2 3.13Å; K194-F483 HydrophobicContact CD-CE2 4.04Å; K194-F483 HydrophobicContact CD-CZ 4.07Å; K194-F483 HydrophobicContact CG-CD2 4.33Å; K194-F483 HydrophobicContact CG-CE2 3.56Å; K194-F483 HydrophobicContact CG-CZ 3.88Å
195	G	83.7	Confident	92.9	Very high	20 Å²	20	30 Å²	30	21%	0.206	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-179.1	173.9	0	0	0	0	0	112.4	F197 G198 F483	G195-F197 VanDerWaalsContact C-N 3.31Å; G195-F197 PolarHBondContact O-N 3.36Å; G195-G198 CarbonylContact C-O 3.42Å; G195-G198 PolarHBondContact N-O 3.08Å; G195-G198 VanDerWaalsContact O-O 3.13Å; G195-F483 VanDerWaalsContact O-CZ 3.23Å; G195-F483 WeakPolarHBondContact O-CZ 3.34Å
196	G	84.4	Confident	92.8	Very high	43 Å²	43	32.1 Å²	32.1	44%	0.443	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-33.9	-176.9	0	0	0	0	0	114.9	R225	G196-R225 PolarHBondContact O-NH1 2.9Å
197	F	89.4	Confident	92.8	Very high	29 Å²	29	32.2 Å²	32.2	13%	0.127	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	2.4	-174.8	-60.1	-75.2	0	0	0	114.6	G195 L217 E218 V222 R225 M230	G195-F197 VanDerWaalsContact C-N 3.31Å; G195-F197 PolarHBondContact O-N 3.36Å; F197-L217 HydrophobicContact CB-CB 4.14Å; F197-L217 HydrophobicContact CB-CD2 3.83Å; F197-L217 HydrophobicContact CD2-CD2 4.34Å; F197-E218 PolarHBondContact O-N 3.36Å; F197-V222 HydrophobicContact CB-CG2 4.15Å; F197-V222 HydrophobicContact CD1-CG2 4.03Å; F197-V222 HydrophobicContact CG-CG2 4.17Å; F197-R225 HydrophobicContact CE1-CB 3.96Å; F197-M230 HydrophobicContact CE2-SD 3.81Å; F197-M230 HydrophobicContact CZ-SD 4.06Å
198	G	91.2	Very high	92.8	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-150	-179	0	0	0	0	0	112.1	G195 K216	G195-G198 CarbonylContact C-O 3.42Å; G195-G198 PolarHBondContact N-O 3.08Å; G195-G198 VanDerWaalsContact O-O 3.13Å; G198-K216 CarbonylContact C-O 3.52Å; G198-K216 VanDerWaalsContact CA-O 3.27Å; G198-K216 WeakPolarHBondContact CA-O 3.26Å
199	E	93	Very high	92.8	Very high	69 Å²	69	25 Å²	25	32%	0.322	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	159.9	-173	63.3	177.2	-155.2	0	0	112.5	V191 K216	V191-E199 HydrophobicContact CG1-CB 4.21Å; E199-K216 HydrophobicContact CG-CB 4.33Å; E199-K216 HydrophobicContact CG-CD 4.17Å; E199-K216 PolarHBondContact N-O 3.09Å; E199-K216 PolarHBondContact O-N 3.36Å; E199-K216 IonicContact OE1-NZ 2.96Å; E199-K216 PolarHBondContact OE1-NZ 3.26Å
200	V	94.6	Very high	92.9	Very high	34 Å²	34	24.1 Å²	24.1	21%	0.206	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127	167.5	-175.2	0	0	0	0	107.6	V191 L192 G193 A213 C214 K215	V191-V200 WeakPolarHBondContact CG1-O 3.42Å; L192-V200 PolarHBondContact N-O 2.86Å; G193-V200 PolarHBondContact N-O 3.45Å; G193-V200 PolarHBondContact O-N 3.45Å; V200-A213 HydrophobicContact CG1-CB 4.06Å; V200-C214 WeakPolarHBondContact CA-O 3.43Å; V200-K215 HydrophobicContact CG2-CB 4.13Å; V200-K215 HydrophobicContact CG2-CG 4.02Å
201	C	95.1	Very high	93.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.9	177.8	63.4	0	0	0	0	111.1	R190 V191 A213 C214 K216	R190-C201 WeakPolarHBondContact O-CA 3.4Å; R190-C201 WeakPolarHBondContact O-CB 3.2Å; V191-C201 HydrophobicContact CG2-CB 4.47Å; C201-A213 CarbonylContact O-C 3.56Å; C201-C214 PolarHBondContact N-O 3.34Å; C201-C214 PolarHBondContact O-N 2.93Å; C201-K216 WeakPolarHBondContact SG-CE 3.3Å
202	A	96.3	Very high	93.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.2	171.5	0	0	0	0	0	110.1	L12 Y189 R190 L192 M211 Y212	L12-A202 HydrophobicContact CD1-CB 3.64Å; Y189-A202 PolarHBondContact N-O 2.84Å; R190-A202 PolarHBondContact O-N 3.08Å; L192-A202 HydrophobicContact CD1-CB 4.11Å; L192-A202 HydrophobicContact CD2-CB 4.28Å; L192-A202 HydrophobicContact CG-CB 4.32Å; A202-M211 HydrophobicContact CB-CE 4.45Å; A202-Y212 WeakPolarHBondContact CA-O 3.34Å
203	C	97.3	Very high	93.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.8	173.5	72.6	0	0	0	0	111.4	F186 R187 M211 Y212 C214	F186-C203 HydrophobicContact CB-CB 4.41Å; R187-C203 CarbonylContact O-C 3.54Å; R187-C203 WeakPolarHBondContact O-CA 3.4Å; R187-C203 WeakPolarHBondContact O-CB 3.39Å; C203-M211 WeakPolarHBondContact O-CA 3.35Å; C203-Y212 PolarHBondContact N-O 3.33Å; C203-Y212 PolarHBondContact O-N 3.42Å; C203-C214 HydrophobicContact CB-CB 4.23Å
204	Q	97.6	Very high	94.2	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.9	178.1	-176.4	179.5	55.5	0	0	110.7	F186 R187 Y189 R206 G209 K210 M211	F186-Q204 CarbonylContact C-O 3.55Å; F186-Q204 VanDerWaalsContact CA-O 3.27Å; F186-Q204 WeakPolarHBondContact CA-O 3.4Å; R187-Q204 PolarHBondContact N-O 2.93Å; R187-Q204 PolarHBondContact O-N 2.79Å; Y189-Q204 HydrophobicContact CE2-CB 3.62Å; Y189-Q204 PolarHBondContact OH-OE1 3.16Å; Q204-R206 PolarHBondContact O-N 3.09Å; Q204-G209 VanDerWaalsContact CG-O 3.3Å; Q204-G209 WeakPolarHBondContact CG-O 3.45Å; Q204-G209 PolarHBondContact NE2-O 3.3Å; Q204-K210 CarbonylContact C-O 3.58Å; Q204-K210 VanDerWaalsContact CA-O 3.27Å; Q204-K210 WeakPolarHBondContact CA-O 3.14Å; Q204-M211 HydrophobicContact CB-SD 3.66Å; Q204-M211 HydrophobicContact CG-SD 3.9Å
205	V	98.1	Very high	94.7	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.024	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.3	172	177.7	0	0	0	0	108.8	T185 F186 A207 T208 G209 K210 Y212 Y251 E514	T185-V205 HydrophobicContact CG2-CG1 4.4Å; F186-V205 HydrophobicContact CD1-CG2 3.89Å; F186-V205 HydrophobicContact CE1-CG2 3.62Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 HydrophobicContact CG1-CB 4.4Å; V205-A207 PolarHBondContact O-N 3.3Å; V205-T208 WeakPolarHBondContact CB-OG1 3.18Å; V205-T208 HydrophobicContact CG1-CG2 4.3Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.43Å; V205-G209 WeakPolarHBondContact O-CA 3.36Å; V205-G209 PolarHBondContact O-N 3.33Å; V205-K210 PolarHBondContact N-O 3.2Å; V205-Y212 HydrophobicContact CG2-CD2 3.93Å; V205-Y212 HydrophobicContact CG2-CE2 3.93Å; V205-Y251 HydrophobicContact CG2-CE2 3.88Å; V205-E514 WeakPolarHBondContact CB-OE1 3.4Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.31Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.46Å
206	R	97.3	Very high	95.4	Very high	80 Å²	80	20.5 Å²	20.5	30%	0.302	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.1	-173.6	-73	173.1	73.4	-168.3	4.6	113.1	S27 N184 T185 R187 Q204	S27-R206 WeakPolarHBondContact CB-O 3.33Å; S27-R206 PolarHBondContact N-O 2.84Å; N184-R206 WeakPolarHBondContact O-CD 3.48Å; N184-R206 PolarHBondContact O-NH1 3.22Å; T185-R206 WeakPolarHBondContact O-CB 3.31Å; T185-R206 WeakPolarHBondContact O-CG 3.35Å; T185-R206 PolarHBondContact O-N 2.82Å; R187-R206 HydrophobicContact CG-CG 3.67Å; Q204-R206 PolarHBondContact O-N 3.09Å
207	A	96.8	Very high	95.9	Very high	12 Å²	12	18.6 Å²	18.6	10%	0.099	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-48.5	-176.7	0	0	0	0	0	111.4	R26 W30 M33 L34 V205	R26-A207 VanDerWaalsContact CG-O 3.31Å; R26-A207 WeakPolarHBondContact CG-O 3.44Å; W30-A207 WeakPolarHBondContact CB-O 3.21Å; M33-A207 HydrophobicContact CB-CB 4.22Å; M33-A207 HydrophobicContact SD-CB 4.41Å; L34-A207 HydrophobicContact CD1-CB 4.04Å; L34-A207 HydrophobicContact CD2-CB 4.02Å; L34-A207 HydrophobicContact CG-CB 3.88Å; V205-A207 VanDerWaalsContact C-N 3.29Å; V205-A207 HydrophobicContact CG1-CB 4.4Å; V205-A207 PolarHBondContact O-N 3.3Å
208	T	96.8	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-23	-171.2	63.4	0	0	0	0	113.8	R26 L34 V205 K210 E514 M515 M518	R26-T208 VanDerWaalsContact CG-C 3.45Å; R26-T208 WeakPolarHBondContact CG-O 3.25Å; L34-T208 HydrophobicContact CD1-CG2 4.25Å; V205-T208 WeakPolarHBondContact CB-OG1 3.18Å; V205-T208 HydrophobicContact CG1-CG2 4.3Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.43Å; T208-K210 VanDerWaalsContact C-N 3.26Å; T208-K210 PolarHBondContact OG1-N 2.85Å; T208-E514 VanDerWaalsContact CB-OE1 3.28Å; T208-E514 WeakPolarHBondContact CB-OE1 3.42Å; T208-E514 HydrophobicContact CG2-CG 3.98Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.48Å; T208-E514 PolarHBondContact OG1-OE1 3.17Å; T208-M515 HydrophobicContact CG2-CE 3.38Å; T208-M515 HydrophobicContact CG2-SD 3.81Å; T208-M518 WeakPolarHBondContact O-CE 3.3Å
209	G	95.3	Very high	96.5	Very high	5 Å²	5	20.7 Å²	20.7	5%	0.052	10%	0.099	C	C	.	.			trans	81.2	-0.2	-173.4	0	0	0	0	0	114	Q204 V205	Q204-G209 VanDerWaalsContact CG-O 3.3Å; Q204-G209 WeakPolarHBondContact CG-O 3.45Å; Q204-G209 PolarHBondContact NE2-O 3.3Å; V205-G209 WeakPolarHBondContact O-CA 3.36Å; V205-G209 PolarHBondContact O-N 3.33Å
210	K	95.9	Very high	96.6	Very high	33 Å²	33	21.6 Å²	21.6	14%	0.143	10%	0.102	C	C	.	.			trans	-66.5	135.5	-179.2	-167.6	161.6	175.4	172.7	0	111.6	Q204 V205 T208 Y212 E514 E517 M518	Q204-K210 CarbonylContact C-O 3.58Å; Q204-K210 VanDerWaalsContact CA-O 3.27Å; Q204-K210 WeakPolarHBondContact CA-O 3.14Å; V205-K210 PolarHBondContact N-O 3.2Å; T208-K210 VanDerWaalsContact C-N 3.26Å; T208-K210 PolarHBondContact OG1-N 2.85Å; K210-Y212 HydrophobicContact CB-CD2 4.4Å; K210-Y212 HydrophobicContact CB-CE2 3.85Å; K210-Y212 HydrophobicContact CD-CE2 3.75Å; K210-Y212 WeakPolarHBondContact CD-OH 3.09Å; K210-Y212 VanDerWaalsContact CE-OH 3.31Å; K210-Y212 WeakPolarHBondContact CE-OH 3.47Å; K210-Y212 HydrophobicContact CG-CD2 4.18Å; K210-Y212 HydrophobicContact CG-CE2 3.58Å; K210-E514 HydrophobicContact CB-CG 3.9Å; K210-E514 HydrophobicContact CD-CB 3.66Å; K210-E514 HydrophobicContact CD-CG 3.52Å; K210-E514 HydrophobicContact CG-CG 4.32Å; K210-E517 WeakPolarHBondContact CE-OE2 3.29Å; K210-E517 VanDerWaalsContact NZ-CD 3.35Å; K210-E517 IonicContact NZ-OE1 3.91Å; K210-E517 PolarHBondContact NZ-OE1 2.93Å; K210-E517 IonicContact NZ-OE2 2.63Å; K210-E517 PolarHBondContact NZ-OE2 3.41Å; K210-M518 HydrophobicContact CB-CG 3.78Å; K210-M518 HydrophobicContact CB-SD 3.97Å; K210-M518 HydrophobicContact CD-CG 4.25Å; K210-M518 HydrophobicContact CD-SD 4.46Å; K210-M518 HydrophobicContact CG-CG 4.36Å; K210-M518 HydrophobicContact CG-SD 4.22Å
211	M	96	Very high	96.6	Very high	30 Å²	30	20.8 Å²	20.8	15%	0.148	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	141.1	177.5	-65.3	-66.7	-65.7	0	0	110.8	L12 A15 Y189 A202 C203 Q204 L265	L12-M211 HydrophobicContact CD1-CE 3.8Å; A15-M211 HydrophobicContact CB-CE 4.1Å; A15-M211 HydrophobicContact CB-SD 4.03Å; Y189-M211 HydrophobicContact CD2-CE 4.09Å; Y189-M211 HydrophobicContact CE2-CE 4.14Å; Y189-M211 HydrophobicContact CE2-SD 4.19Å; A202-M211 HydrophobicContact CB-CE 4.45Å; C203-M211 WeakPolarHBondContact O-CA 3.35Å; Q204-M211 HydrophobicContact CB-SD 3.66Å; Q204-M211 HydrophobicContact CG-SD 3.9Å; M211-L265 HydrophobicContact CB-CD2 3.7Å; M211-L265 HydrophobicContact CE-CD2 4.26Å
212	Y	97.9	Very high	96.6	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.02	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167.4	179.6	-75.6	-79	0	0	0	111	A202 C203 V205 K210 A250 Y251 V262 L263 E514	A202-Y212 WeakPolarHBondContact CA-O 3.34Å; C203-Y212 PolarHBondContact N-O 3.33Å; C203-Y212 PolarHBondContact O-N 3.42Å; V205-Y212 HydrophobicContact CG2-CD2 3.93Å; V205-Y212 HydrophobicContact CG2-CE2 3.93Å; K210-Y212 HydrophobicContact CB-CD2 4.4Å; K210-Y212 HydrophobicContact CB-CE2 3.85Å; K210-Y212 HydrophobicContact CD-CE2 3.75Å; K210-Y212 WeakPolarHBondContact CD-OH 3.09Å; K210-Y212 VanDerWaalsContact CE-OH 3.31Å; K210-Y212 WeakPolarHBondContact CE-OH 3.47Å; K210-Y212 HydrophobicContact CG-CD2 4.18Å; K210-Y212 HydrophobicContact CG-CE2 3.58Å; Y212-A250 HydrophobicContact CD1-CB 4.22Å; Y212-A250 HydrophobicContact CE1-CB 3.49Å; Y212-A250 VanDerWaalsContact CE1-CB 3.49Å; Y212-Y251 HydrophobicContact CE2-CE2 4.15Å; Y212-V262 HydrophobicContact CD1-CG1 4Å; Y212-V262 HydrophobicContact CD2-CG1 4.1Å; Y212-V262 HydrophobicContact CG-CG1 3.58Å; Y212-L263 VanDerWaalsContact CD1-O 3.31Å; Y212-L263 WeakPolarHBondContact CD1-O 3.5Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.43Å; Y212-E514 PolarHBondContact OH-OE2 3.22Å; Y212-E514 VanDerWaalsContact OH-OE2 3.08Å
213	A	97.6	Very high	96.6	Very high	10 Å²	10	22.9 Å²	22.9	8%	0.083	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.2	164.2	0	0	0	0	0	109.5	L192 V200 C201 V262 L263 L265	L192-A213 HydrophobicContact CD1-CB 4.46Å; V200-A213 HydrophobicContact CG1-CB 4.06Å; C201-A213 CarbonylContact O-C 3.56Å; A213-V262 CarbonylContact O-C 3.55Å; A213-V262 WeakPolarHBondContact O-CA 3.1Å; A213-L263 PolarHBondContact N-O 3.26Å; A213-L263 PolarHBondContact O-N 2.98Å; A213-L265 HydrophobicContact CB-CD1 4.05Å
214	C	98	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	103.9	175.4	-178.8	0	0	0	0	109.5	V200 C201 C203 K216 L261	V200-C214 WeakPolarHBondContact CA-O 3.43Å; C201-C214 PolarHBondContact N-O 3.34Å; C201-C214 PolarHBondContact O-N 2.93Å; C203-C214 HydrophobicContact CB-CB 4.23Å; C214-K216 PolarHBondContact O-N 3.39Å; C214-L261 WeakPolarHBondContact CA-O 3.3Å
215	K	97.3	Very high	96.3	Very high	21 Å²	21	35.8 Å²	35.8	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	109.7	170.8	-173.6	179.4	-166.4	-170.9	0	108.2	V200 L217 E234 C260 L261 L263 D329	V200-K215 HydrophobicContact CG2-CB 4.13Å; V200-K215 HydrophobicContact CG2-CG 4.02Å; K215-L217 HydrophobicContact CD-CD2 4.47Å; K215-L217 HydrophobicContact CG-CD2 4.18Å; K215-E234 IonicContact NZ-OE1 2.69Å; K215-E234 PolarHBondContact NZ-OE1 3.3Å; K215-E234 IonicContact NZ-OE2 2.86Å; K215-E234 PolarHBondContact NZ-OE2 3.4Å; K215-C260 WeakPolarHBondContact O-CA 3.45Å; K215-L261 HydrophobicContact CB-CB 4.36Å; K215-L261 PolarHBondContact N-O 2.94Å; K215-L261 PolarHBondContact O-N 3.27Å; K215-L263 HydrophobicContact CB-CD1 4.23Å; K215-L263 HydrophobicContact CD-CD1 4.45Å; K215-D329 IonicContact NZ-OD1 2.72Å; K215-D329 PolarHBondContact NZ-OD1 3.36Å
216	K	96.8	Very high	96.1	Very high	48 Å²	48	44.2 Å²	44.2	21%	0.209	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.5	179.5	-60.3	180	-166.4	155.2	0	109.6	G198 E199 C201 C214 A258 L259	G198-K216 CarbonylContact C-O 3.52Å; G198-K216 VanDerWaalsContact CA-O 3.27Å; G198-K216 WeakPolarHBondContact CA-O 3.26Å; E199-K216 HydrophobicContact CG-CB 4.33Å; E199-K216 HydrophobicContact CG-CD 4.17Å; E199-K216 PolarHBondContact N-O 3.09Å; E199-K216 PolarHBondContact O-N 3.36Å; E199-K216 IonicContact OE1-NZ 2.96Å; E199-K216 PolarHBondContact OE1-NZ 3.26Å; C201-K216 WeakPolarHBondContact SG-CE 3.3Å; C214-K216 PolarHBondContact O-N 3.39Å; K216-A258 HydrophobicContact CB-CB 4.29Å; K216-L259 CarbonylContact C-O 3.5Å; K216-L259 WeakPolarHBondContact CA-O 3.28Å
217	L	96.5	Very high	96	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.1	175.7	-46.4	173.2	0	0	0	107.9	F197 K215 K219 V222 A231 A258 L259 F502	F197-L217 HydrophobicContact CB-CB 4.14Å; F197-L217 HydrophobicContact CB-CD2 3.83Å; F197-L217 HydrophobicContact CD2-CD2 4.34Å; K215-L217 HydrophobicContact CD-CD2 4.47Å; K215-L217 HydrophobicContact CG-CD2 4.18Å; L217-K219 PolarHBondContact O-N 3.07Å; L217-V222 HydrophobicContact CB-CG2 3.96Å; L217-A231 HydrophobicContact CD1-CB 3.81Å; L217-A258 CarbonylContact O-C 3.54Å; L217-A258 WeakPolarHBondContact O-CA 3.32Å; L217-A258 WeakPolarHBondContact O-CB 3.44Å; L217-L259 HydrophobicContact CB-CB 4.32Å; L217-L259 PolarHBondContact N-O 3.14Å; L217-L259 PolarHBondContact O-N 3.01Å; L217-F502 HydrophobicContact CD1-CE2 4.22Å; L217-F502 HydrophobicContact CD1-CZ 4.15Å
218	E	96.1	Very high	95.9	Very high	62 Å²	62	42.5 Å²	42.5	29%	0.29	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	118.4	-179.6	-70.6	170.8	-157.7	0	0	110.4	F197 K220 R221 V222	F197-E218 PolarHBondContact O-N 3.36Å; E218-K220 VanDerWaalsContact C-N 3.32Å; E218-K220 PolarHBondContact O-N 3.31Å; E218-R221 HydrophobicContact CB-CB 3.78Å; E218-R221 WeakPolarHBondContact O-CA 3.31Å; E218-R221 WeakPolarHBondContact O-CB 3.24Å; E218-R221 PolarHBondContact O-N 3.46Å; E218-R221 IonicContact OE1-NE 2.7Å; E218-R221 IonicContact OE1-NH2 2.6Å; E218-R221 IonicContact OE2-CZ 3.06Å; E218-R221 IonicContact OE2-NE 2.79Å; E218-R221 PolarHBondContact OE2-NE 2.92Å; E218-R221 IonicContact OE2-NH2 3.05Å; E218-R221 PolarHBondContact OE2-NH2 2.55Å; E218-V222 WeakPolarHBondContact O-CG2 3.35Å; E218-V222 PolarHBondContact O-N 2.97Å
219	K	96.1	Very high	95.7	Very high	13 Å²	13	46.2 Å²	46.2	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-53.6	-46.9	-174.5	-76.3	-179.6	169	-169.4	0	112.7	L217 R221 V222 K223 E254 T255 D257 L259 L491 Y499	L217-K219 PolarHBondContact O-N 3.07Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.43Å; K219-V222 PolarHBondContact O-N 2.69Å; K219-K223 PolarHBondContact O-N 3.44Å; K219-E254 WeakPolarHBondContact CE-OE2 3.31Å; K219-E254 IonicContact NZ-OE2 3.74Å; K219-E254 PolarHBondContact NZ-OE2 3.29Å; K219-T255 PolarHBondContact NZ-O 3.18Å; K219-D257 PolarHBondContact N-O 3.23Å; K219-L259 HydrophobicContact CG-CG 4.3Å; K219-L491 HydrophobicContact CB-CD1 3.89Å; K219-L491 HydrophobicContact CB-CD2 4.28Å; K219-L491 HydrophobicContact CD-CD1 3.96Å; K219-Y499 HydrophobicContact CD-CD2 4.47Å; K219-Y499 HydrophobicContact CD-CE1 4.03Å; K219-Y499 HydrophobicContact CD-CE2 3.82Å; K219-Y499 HydrophobicContact CG-CE1 3.93Å
220	K	95.3	Very high	95.5	Very high	88 Å²	88	49.9 Å²	49.9	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-33	177.4	-67	-174.5	177.9	-176.4	0	112.9	E218 K224 V486 V489 L491	E218-K220 VanDerWaalsContact C-N 3.32Å; E218-K220 PolarHBondContact O-N 3.31Å; K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.48Å; K220-K224 PolarHBondContact O-N 3.19Å; K220-V486 HydrophobicContact CB-CB 4.07Å; K220-V486 HydrophobicContact CB-CG1 4.12Å; K220-V489 HydrophobicContact CB-CB 4.45Å; K220-V489 HydrophobicContact CB-CG1 4.33Å; K220-L491 HydrophobicContact CG-CD2 4.3Å; K220-L491 HydrophobicContact CG-CG 4.5Å
221	R	94.9	Very high	95.5	Very high	18 Å²	18	48.3 Å²	48.3	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-76.7	-40.4	179.1	-170.4	176.4	-59.7	-79	-19.2	111.6	E218 K219 K223 K224 R225 F483 S484 V486	E218-R221 HydrophobicContact CB-CB 3.78Å; E218-R221 WeakPolarHBondContact O-CA 3.31Å; E218-R221 WeakPolarHBondContact O-CB 3.24Å; E218-R221 PolarHBondContact O-N 3.46Å; E218-R221 IonicContact OE1-NE 2.7Å; E218-R221 IonicContact OE1-NH2 2.6Å; E218-R221 IonicContact OE2-CZ 3.06Å; E218-R221 IonicContact OE2-NE 2.79Å; E218-R221 PolarHBondContact OE2-NE 2.92Å; E218-R221 IonicContact OE2-NH2 3.05Å; E218-R221 PolarHBondContact OE2-NH2 2.55Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.43Å; R221-K223 VanDerWaalsContact C-N 3.35Å; R221-K224 PolarHBondContact O-N 2.96Å; R221-R225 WeakPolarHBondContact O-CB 3.26Å; R221-R225 PolarHBondContact O-N 3.03Å; R221-R225 VanDerWaalsContact O-N 3.12Å; R221-F483 VanDerWaalsContact CZ-CD1 3.48Å; R221-F483 VanDerWaalsContact CZ-CG 3.48Å; R221-F483 VanDerWaalsContact NH2-CB 3.29Å; R221-S484 PolarHBondContact NH2-O 2.98Å; R221-V486 HydrophobicContact CB-CG2 4.15Å
222	V	95.3	Very high	95.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-55.8	-53	172.1	175	0	0	0	0	109.1	F197 L217 E218 K219 K224 R225 K226 G227 E228 F498	F197-V222 HydrophobicContact CB-CG2 4.15Å; F197-V222 HydrophobicContact CD1-CG2 4.03Å; F197-V222 HydrophobicContact CG-CG2 4.17Å; L217-V222 HydrophobicContact CB-CG2 3.96Å; E218-V222 WeakPolarHBondContact O-CG2 3.35Å; E218-V222 PolarHBondContact O-N 2.97Å; K219-V222 PolarHBondContact O-N 2.69Å; V222-K224 PolarHBondContact O-N 3.31Å; V222-R225 CarbonylContact O-C 3.59Å; V222-R225 PolarHBondContact O-N 3.02Å; V222-K226 PolarHBondContact O-N 3.38Å; V222-G227 PolarHBondContact O-N 2.87Å; V222-E228 HydrophobicContact CG1-CG 4.09Å; V222-F498 HydrophobicContact CG1-CE1 4.13Å; V222-F498 HydrophobicContact CG1-CZ 4.29Å
223	K	95.2	Very high	95.3	Very high	42 Å²	42	49.9 Å²	49.9	18%	0.183	24%	0.238	C	C	.	.	H	α-helix	trans	-59	-48.4	178.1	-171	170.5	-168.2	168.7	0	113.2	K219 R221 R225 K226 E228 V489 N490 L491 D492 D495	K219-K223 PolarHBondContact O-N 3.44Å; R221-K223 VanDerWaalsContact C-N 3.35Å; K223-R225 PolarHBondContact O-N 3.39Å; K223-R225 VanDerWaalsContact O-N 3.15Å; K223-K226 PolarHBondContact O-N 3.27Å; K223-K226 VanDerWaalsContact O-N 3.13Å; K223-E228 WeakPolarHBondContact CA-OE1 3.47Å; K223-V489 HydrophobicContact CB-CG1 4.14Å; K223-V489 HydrophobicContact CD-CG1 3.92Å; K223-V489 HydrophobicContact CG-CG1 4.12Å; K223-N490 PolarHBondContact NZ-O 3.1Å; K223-L491 HydrophobicContact CD-CD2 4.07Å; K223-D492 VanDerWaalsContact NZ-CG 3.33Å; K223-D492 IonicContact NZ-OD1 2.9Å; K223-D492 IonicContact NZ-OD2 3.66Å; K223-D492 PolarHBondContact NZ-OD2 2.65Å; K223-D495 WeakPolarHBondContact CD-OD1 3.42Å; K223-D495 WeakPolarHBondContact CE-OD1 3.4Å; K223-D495 IonicContact NZ-OD1 2.8Å; K223-D495 PolarHBondContact NZ-OD1 2.85Å; K223-D495 IonicContact NZ-OD2 3.85Å; K223-D495 PolarHBondContact NZ-OD2 2.83Å
224	K	94.5	Very high	95.2	Very high	139 Å²	139	49.7 Å²	49.7	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-56.4	-34.4	178.7	-176.6	167.2	175.3	174.9	0	113	K220 R221 V222 V486 V489	K220-K224 VanDerWaalsContact O-CB 3.31Å; K220-K224 WeakPolarHBondContact O-CB 3.48Å; K220-K224 PolarHBondContact O-N 3.19Å; R221-K224 PolarHBondContact O-N 2.96Å; V222-K224 PolarHBondContact O-N 3.31Å; K224-V486 HydrophobicContact CB-CG1 4.28Å; K224-V486 HydrophobicContact CD-CG1 3.72Å; K224-V489 HydrophobicContact CB-CG2 4.14Å; K224-V489 HydrophobicContact CD-CG2 4.48Å; K224-V489 HydrophobicContact CG-CG2 4.49Å
225	R	94	Very high	95.1	Very high	137 Å²	137	50 Å²	50	52%	0.517	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	2.2	-176.4	-69.4	-173.8	175.9	-174.3	1.1	113.5	G196 F197 R221 V222 K223 G227	G196-R225 PolarHBondContact O-NH1 2.9Å; F197-R225 HydrophobicContact CE1-CB 3.96Å; R221-R225 WeakPolarHBondContact O-CB 3.26Å; R221-R225 PolarHBondContact O-N 3.03Å; R221-R225 VanDerWaalsContact O-N 3.12Å; V222-R225 CarbonylContact O-C 3.59Å; V222-R225 PolarHBondContact O-N 3.02Å; K223-R225 PolarHBondContact O-N 3.39Å; K223-R225 VanDerWaalsContact O-N 3.15Å; R225-G227 PolarHBondContact O-N 3.3Å
226	K	94.6	Very high	95.1	Very high	181 Å²	181	55.8 Å²	55.8	79%	0.787	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	43.3	-173.2	-54.6	-177.1	179.1	-174.8	0	112.1	V222 K223 E228	V222-K226 PolarHBondContact O-N 3.38Å; K223-K226 PolarHBondContact O-N 3.27Å; K223-K226 VanDerWaalsContact O-N 3.13Å; K226-E228 WeakPolarHBondContact CA-OE2 3.38Å
227	G	94.4	Very high	95.1	Very high	3 Å²	3	53.9 Å²	53.9	3%	0.031	25%	0.25	C	C	.	.			trans	-90.3	6.8	-173	0	0	0	0	0	115.1	V222 R225 M230 A231	V222-G227 PolarHBondContact O-N 2.87Å; R225-G227 PolarHBondContact O-N 3.3Å; G227-M230 PolarHBondContact O-N 2.85Å; G227-A231 WeakPolarHBondContact O-CB 3.15Å; G227-A231 PolarHBondContact O-N 3.39Å
228	E	94.7	Very high	95.1	Very high	52 Å²	52	53.9 Å²	53.9	24%	0.243	25%	0.25	C	C	.	.	H	α-helix	trans	-60.6	-49.2	-172.1	-60.1	82.4	177.7	0	0	111.3	V222 K223 K226 M230 A231 L232 F498	V222-E228 HydrophobicContact CG1-CG 4.09Å; K223-E228 WeakPolarHBondContact CA-OE1 3.47Å; K226-E228 WeakPolarHBondContact CA-OE2 3.38Å; E228-M230 VanDerWaalsContact C-N 3.32Å; E228-M230 PolarHBondContact O-N 3.18Å; E228-A231 PolarHBondContact O-N 3.34Å; E228-L232 WeakPolarHBondContact O-CB 3.28Å; E228-L232 PolarHBondContact O-N 3.36Å; E228-F498 HydrophobicContact CB-CD1 4.24Å; E228-F498 HydrophobicContact CB-CD2 3.88Å; E228-F498 HydrophobicContact CB-CE1 4.16Å; E228-F498 HydrophobicContact CB-CE2 3.81Å; E228-F498 HydrophobicContact CB-CG 4.11Å; E228-F498 HydrophobicContact CB-CZ 3.96Å; E228-F498 HydrophobicContact CG-CD1 3.89Å; E228-F498 HydrophobicContact CG-CD2 4.42Å; E228-F498 HydrophobicContact CG-CE1 3.93Å; E228-F498 HydrophobicContact CG-CE2 4.46Å; E228-F498 HydrophobicContact CG-CG 4.15Å; E228-F498 HydrophobicContact CG-CZ 4.24Å; E228-F498 VanDerWaalsContact O-CE2 3.26Å; E228-F498 WeakPolarHBondContact O-CE2 3.4Å
229	A	92.6	Very high	95.1	Very high	79 Å²	79	54.1 Å²	54.1	65%	0.653	25%	0.251	S	S	*	.	H	α-helix	trans	-61.9	-40.1	179.3	0	0	0	0	0	112	N233	A229-N233 WeakPolarHBondContact O-CB 3.4Å; A229-N233 PolarHBondContact O-N 3.4Å
230	M	92.8	Very high	94.9	Very high	81 Å²	81	57.7 Å²	57.7	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-45.5	178.4	-172.9	-178.5	-69.5	0	0	111.5	F197 G227 E228 N233 E234 G331 L332	F197-M230 HydrophobicContact CE2-SD 3.81Å; F197-M230 HydrophobicContact CZ-SD 4.06Å; G227-M230 PolarHBondContact O-N 2.85Å; E228-M230 VanDerWaalsContact C-N 3.32Å; E228-M230 PolarHBondContact O-N 3.18Å; M230-N233 PolarHBondContact O-N 2.93Å; M230-E234 PolarHBondContact O-N 3.25Å; M230-G331 VanDerWaalsContact CG-O 3.32Å; M230-G331 WeakPolarHBondContact CG-O 3.48Å; M230-L332 HydrophobicContact CE-CD2 4.2Å
231	A	95.3	Very high	94.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-42.8	178	0	0	0	0	0	112.1	L217 G227 E228 K235 F498 F502	L217-A231 HydrophobicContact CD1-CB 3.81Å; G227-A231 WeakPolarHBondContact O-CB 3.15Å; G227-A231 PolarHBondContact O-N 3.39Å; E228-A231 PolarHBondContact O-N 3.34Å; A231-K235 WeakPolarHBondContact O-CB 3.32Å; A231-K235 PolarHBondContact O-N 3.47Å; A231-K235 VanDerWaalsContact O-N 3.12Å; A231-F498 HydrophobicContact CB-CZ 4.19Å; A231-F502 HydrophobicContact CB-CE2 4.32Å
232	L	94.9	Very high	94.6	Very high	19 Å²	19	58.2 Å²	58.2	10%	0.099	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-38.5	177.7	-170.1	60.5	0	0	0	111.8	E228 K235 R236 F498 K501	E228-L232 WeakPolarHBondContact O-CB 3.28Å; E228-L232 PolarHBondContact O-N 3.36Å; L232-K235 PolarHBondContact O-N 3.27Å; L232-R236 WeakPolarHBondContact O-CB 3.35Å; L232-R236 VanDerWaalsContact O-CG 3.29Å; L232-R236 WeakPolarHBondContact O-CG 3.33Å; L232-R236 PolarHBondContact O-N 3.1Å; L232-F498 HydrophobicContact CB-CE2 4.16Å; L232-K501 HydrophobicContact CD1-CB 4.22Å; L232-K501 HydrophobicContact CD2-CB 4.43Å
233	N	94.6	Very high	94.6	Very high	49 Å²	49	58.5 Å²	58.5	26%	0.262	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-48	176.6	-179.5	72.8	0	0	0	111.7	A229 M230 K235 R236 I237 A333	A229-N233 WeakPolarHBondContact O-CB 3.4Å; A229-N233 PolarHBondContact O-N 3.4Å; M230-N233 PolarHBondContact O-N 2.93Å; N233-K235 VanDerWaalsContact C-N 3.3Å; N233-K235 PolarHBondContact O-N 2.97Å; N233-R236 PolarHBondContact O-N 3.36Å; N233-I237 WeakPolarHBondContact O-CG1 3.39Å; N233-I237 PolarHBondContact O-N 2.95Å; N233-A333 PolarHBondContact ND2-O 3.49Å
234	E	95.7	Very high	94.6	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-54.9	-48.7	175.2	-174.3	177.4	-173.1	0	0	110.8	K215 M230 R236 I237 L238 L261 L330	K215-E234 IonicContact NZ-OE1 2.69Å; K215-E234 PolarHBondContact NZ-OE1 3.3Å; K215-E234 IonicContact NZ-OE2 2.86Å; K215-E234 PolarHBondContact NZ-OE2 3.4Å; M230-E234 PolarHBondContact O-N 3.25Å; E234-R236 PolarHBondContact O-N 2.88Å; E234-I237 PolarHBondContact O-N 2.93Å; E234-L238 HydrophobicContact CG-CD1 3.84Å; E234-L238 WeakPolarHBondContact O-CB 3.34Å; E234-L238 WeakPolarHBondContact O-CG 3.28Å; E234-L238 PolarHBondContact O-N 3.31Å; E234-L261 HydrophobicContact CG-CD1 4.44Å; E234-L330 HydrophobicContact CG-CB 4.34Å
235	K	96.5	Very high	94.8	Very high	5 Å²	5	52 Å²	52	2%	0.022	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-48.8	178.4	-178.2	-90	-179.5	-179.8	0	112	A231 L232 N233 I237 L238 E239 L249 A252 L261 F502 T504	A231-K235 WeakPolarHBondContact O-CB 3.32Å; A231-K235 PolarHBondContact O-N 3.47Å; A231-K235 VanDerWaalsContact O-N 3.12Å; L232-K235 PolarHBondContact O-N 3.27Å; N233-K235 VanDerWaalsContact C-N 3.3Å; N233-K235 PolarHBondContact O-N 2.97Å; K235-I237 PolarHBondContact O-N 3.47Å; K235-L238 PolarHBondContact O-N 2.96Å; K235-E239 HydrophobicContact CD-CG 4.38Å; K235-E239 WeakPolarHBondContact CE-OE1 3.43Å; K235-E239 VanDerWaalsContact CE-OE2 3.28Å; K235-E239 WeakPolarHBondContact CE-OE2 3.41Å; K235-E239 IonicContact NZ-OE1 2.97Å; K235-E239 PolarHBondContact NZ-OE1 3.08Å; K235-E239 IonicContact NZ-OE2 3.09Å; K235-E239 PolarHBondContact NZ-OE2 3.34Å; K235-E239 WeakPolarHBondContact O-CG 3.49Å; K235-E239 PolarHBondContact O-N 2.8Å; K235-L249 HydrophobicContact CG-CD2 4.18Å; K235-A252 HydrophobicContact CG-CB 4.28Å; K235-L261 HydrophobicContact CB-CD2 3.97Å; K235-L261 HydrophobicContact CG-CD2 3.8Å; K235-F502 HydrophobicContact CB-CD2 4.27Å; K235-F502 HydrophobicContact CB-CE2 3.95Å; K235-F502 VanDerWaalsContact CE-O 3.31Å; K235-F502 WeakPolarHBondContact CE-O 3.43Å; K235-F502 HydrophobicContact CG-CD2 4.39Å; K235-F502 HydrophobicContact CG-CE2 4.27Å; K235-T504 WeakPolarHBondContact CE-OG1 3.41Å; K235-T504 PolarHBondContact NZ-OG1 3.1Å
236	R	96.3	Very high	95	Very high	144 Å²	144	45.6 Å²	45.6	54%	0.543	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-42.1	-178.1	-78	174.2	175.7	175.4	-2.3	112.4	L232 N233 E234 E239 K240	L232-R236 WeakPolarHBondContact O-CB 3.35Å; L232-R236 VanDerWaalsContact O-CG 3.29Å; L232-R236 WeakPolarHBondContact O-CG 3.33Å; L232-R236 PolarHBondContact O-N 3.1Å; N233-R236 PolarHBondContact O-N 3.36Å; E234-R236 PolarHBondContact O-N 2.88Å; R236-E239 PolarHBondContact O-N 3.4Å; R236-K240 PolarHBondContact O-N 3Å
237	I	96.7	Very high	95.1	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-47.5	176.9	-72.1	173.8	0	0	0	110	N233 E234 K235 E239 K240 V241 I307 L330 A333	N233-I237 WeakPolarHBondContact O-CG1 3.39Å; N233-I237 PolarHBondContact O-N 2.95Å; E234-I237 PolarHBondContact O-N 2.93Å; K235-I237 PolarHBondContact O-N 3.47Å; I237-E239 VanDerWaalsContact C-N 3.28Å; I237-E239 PolarHBondContact O-N 3.41Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-K240 VanDerWaalsContact O-N 3.08Å; I237-V241 HydrophobicContact CG2-CG2 4.08Å; I237-V241 WeakPolarHBondContact O-CG2 3.5Å; I237-V241 PolarHBondContact O-N 3.34Å; I237-I307 HydrophobicContact CD1-CG2 4.25Å; I237-I307 HydrophobicContact CG1-CD1 4.36Å; I237-I307 HydrophobicContact CG2-CD1 3.91Å; I237-I307 HydrophobicContact CG2-CG2 4.25Å; I237-L330 HydrophobicContact CG2-CB 4.29Å; I237-L330 HydrophobicContact CG2-CD2 3.4Å; I237-L330 HydrophobicContact CG2-CG 4.45Å; I237-A333 HydrophobicContact CD1-CB 3.73Å; I237-A333 VanDerWaalsContact CD1-O 3.31Å; I237-A333 WeakPolarHBondContact CD1-O 3.44Å
238	L	96.9	Very high	95.2	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-29	179.6	-77.1	169.1	0	0	0	114.1	E234 K235 V247 L249 L261 L263 L330	E234-L238 HydrophobicContact CG-CD1 3.84Å; E234-L238 WeakPolarHBondContact O-CB 3.34Å; E234-L238 WeakPolarHBondContact O-CG 3.28Å; E234-L238 PolarHBondContact O-N 3.31Å; K235-L238 PolarHBondContact O-N 2.96Å; L238-V247 HydrophobicContact CD2-CG2 4.04Å; L238-V247 WeakPolarHBondContact CD2-O 3.44Å; L238-L249 HydrophobicContact CB-CB 3.77Å; L238-L249 HydrophobicContact CB-CD2 4.2Å; L238-L261 HydrophobicContact CD1-CD1 4.3Å; L238-L263 HydrophobicContact CD1-CD2 3.78Å; L238-L330 HydrophobicContact CD2-CD1 3.98Å; L238-L330 HydrophobicContact CD2-CD2 4.32Å
239	E	95.4	Very high	95.4	Very high	66 Å²	66	35.5 Å²	35.5	31%	0.308	19%	0.187	S	C	.	.	H	α-helix	trans	-72	-33.1	172.3	-76.4	-174.2	144.2	0	0	113.2	K235 R236 I237 L249 T504 V507	K235-E239 HydrophobicContact CD-CG 4.38Å; K235-E239 WeakPolarHBondContact CE-OE1 3.43Å; K235-E239 VanDerWaalsContact CE-OE2 3.28Å; K235-E239 WeakPolarHBondContact CE-OE2 3.41Å; K235-E239 IonicContact NZ-OE1 2.97Å; K235-E239 PolarHBondContact NZ-OE1 3.08Å; K235-E239 IonicContact NZ-OE2 3.09Å; K235-E239 PolarHBondContact NZ-OE2 3.34Å; K235-E239 WeakPolarHBondContact O-CG 3.49Å; K235-E239 PolarHBondContact O-N 2.8Å; R236-E239 PolarHBondContact O-N 3.4Å; I237-E239 VanDerWaalsContact C-N 3.28Å; I237-E239 PolarHBondContact O-N 3.41Å; E239-L249 HydrophobicContact CG-CD2 3.69Å; E239-T504 PolarHBondContact OE1-OG1 3.45Å; E239-V507 HydrophobicContact CG-CG2 4Å
240	K	92.1	Very high	95.6	Very high	89 Å²	89	31.7 Å²	31.7	39%	0.387	16%	0.156	S	C	.	.	H	α-helix	trans	-79.8	-39.2	-177	-166.9	-172.8	-170.9	-139.6	0	111.7	R236 I237 N242 E305	R236-K240 PolarHBondContact O-N 3Å; I237-K240 PolarHBondContact O-N 3.47Å; I237-K240 VanDerWaalsContact O-N 3.08Å; K240-N242 PolarHBondContact O-N 3.34Å; K240-E305 WeakPolarHBondContact CE-OE2 3.44Å; K240-E305 PolarHBondContact NZ-O 3.04Å; K240-E305 IonicContact NZ-OE2 2.67Å; K240-E305 PolarHBondContact NZ-OE2 2.73Å
241	V	93.5	Very high	95.9	Very high	12 Å²	12	28 Å²	28	7%	0.073	14%	0.138	C	C	.	.			trans	-76.8	123.2	-173.4	174.9	0	0	0	0	110.8	I237 V246 L302 I307	I237-V241 HydrophobicContact CG2-CG2 4.08Å; I237-V241 WeakPolarHBondContact O-CG2 3.5Å; I237-V241 PolarHBondContact O-N 3.34Å; V241-V246 HydrophobicContact CG1-CB 3.99Å; V241-V246 HydrophobicContact CG1-CG1 4.08Å; V241-V246 HydrophobicContact CG1-CG2 4.14Å; V241-L302 HydrophobicContact CG1-CD2 4.09Å; V241-L302 HydrophobicContact CG2-CD2 3.7Å; V241-I307 HydrophobicContact CG2-CD1 3.82Å
242	N	91.2	Very high	96.1	Very high	105 Å²	105	28 Å²	28	56%	0.561	14%	0.137	S	C	*	.			trans	-121.9	89.2	171.2	-177.3	42.2	0	0	0	109.4	K240	K240-N242 PolarHBondContact O-N 3.34Å
243	S	94.9	Very high	96.2	Very high	7 Å²	7	27.1 Å²	27.1	5%	0.049	13%	0.133	C	C	.	.			trans	-132.6	144.4	-178.3	173.4	0	0	0	0	111	F245 D301 R326	S243-F245 PolarHBondContact O-N 3.44Å; S243-F245 PolarHBondContact OG-N 2.86Å; S243-D301 WeakPolarHBondContact CB-OD2 3.39Å; S243-D301 PolarHBondContact OG-OD2 2.92Å; S243-R326 PolarHBondContact O-NH1 3.47Å
244	S	94.9	Very high	96.4	Very high	43 Å²	43	28.5 Å²	28.5	30%	0.301	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	169.8	-68.3	0	0	0	0	112.8	R326	S244-R326 WeakPolarHBondContact O-CG 3.3Å; S244-R326 PolarHBondContact O-NE 2.96Å; S244-R326 VanDerWaalsContact O-NE 3.17Å; S244-R326 PolarHBondContact O-NH1 2.83Å; S244-R326 PolarHBondContact O-NH2 3.41Å
245	F	98.1	Very high	96.4	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	8.6	-173.1	-53.9	-70.9	0	0	0	113	S243 E294 C297 R326 I327 L456 E457	S243-F245 PolarHBondContact O-N 3.44Å; S243-F245 PolarHBondContact OG-N 2.86Å; F245-E294 HydrophobicContact CD1-CB 3.77Å; F245-E294 HydrophobicContact CD1-CG 4.14Å; F245-E294 HydrophobicContact CE1-CB 3.88Å; F245-E294 HydrophobicContact CE1-CG 3.75Å; F245-C297 HydrophobicContact CD2-CB 3.37Å; F245-C297 HydrophobicContact CE2-CB 3.36Å; F245-C297 HydrophobicContact CG-CB 4.03Å; F245-C297 HydrophobicContact CZ-CB 4.01Å; F245-R326 CarbonylContact O-C 3.54Å; F245-R326 VanDerWaalsContact O-CA 3.31Å; F245-R326 WeakPolarHBondContact O-CA 3.33Å; F245-I327 PolarHBondContact O-N 2.85Å; F245-L456 HydrophobicContact CZ-CG 4.38Å; F245-E457 HydrophobicContact CE2-CG 4.24Å
246	V	98.1	Very high	96.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-125.5	143.4	172.1	-173.6	0	0	0	0	108.2	V241 S248 L302 R326 I327 L330	V241-V246 HydrophobicContact CG1-CB 3.99Å; V241-V246 HydrophobicContact CG1-CG1 4.08Å; V241-V246 HydrophobicContact CG1-CG2 4.14Å; V246-S248 PolarHBondContact O-N 2.92Å; V246-L302 HydrophobicContact CG2-CD1 4.38Å; V246-L302 HydrophobicContact CG2-CD2 4.25Å; V246-L302 HydrophobicContact CG2-CG 4.15Å; V246-R326 PolarHBondContact O-NH1 3.09Å; V246-I327 WeakPolarHBondContact CA-O 3.27Å; V246-I327 HydrophobicContact CG2-CB 4.42Å; V246-L330 HydrophobicContact CG1-CD1 4.05Å; V246-L330 HydrophobicContact CG1-CD2 4.06Å
247	V	97.2	Very high	96.2	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.036	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-62.1	135.6	173.9	-62.6	0	0	0	0	110.2	L238 M266 R326 I327	L238-V247 HydrophobicContact CD2-CG2 4.04Å; L238-V247 WeakPolarHBondContact CD2-O 3.44Å; V247-M266 HydrophobicContact CG1-CG 4.05Å; V247-R326 HydrophobicContact CG1-CB 4.05Å; V247-I327 PolarHBondContact N-O 3.29Å
248	S	96.7	Very high	96.2	Very high	17 Å²	17	36.8 Å²	36.8	12%	0.119	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-97.1	139.9	-178.5	-47.6	0	0	0	0	110.4	V246 L263 T264	V246-S248 PolarHBondContact O-N 2.92Å; S248-L263 CarbonylContact O-C 3.5Å; S248-L263 VanDerWaalsContact O-CA 3.28Å; S248-L263 WeakPolarHBondContact O-CA 3.44Å; S248-T264 PolarHBondContact N-OG1 3.19Å; S248-T264 PolarHBondContact O-N 3.12Å; S248-T264 PolarHBondContact O-OG1 3.05Å
249	L	98.4	Very high	96.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.6	169.8	175.5	71.8	0	0	0	109.8	K235 L238 E239 Y251 A252 L261 L263 V507 P510	K235-L249 HydrophobicContact CG-CD2 4.18Å; L238-L249 HydrophobicContact CB-CB 3.77Å; L238-L249 HydrophobicContact CB-CD2 4.2Å; E239-L249 HydrophobicContact CG-CD2 3.69Å; L249-Y251 WeakPolarHBondContact CD1-O 3.21Å; L249-A252 HydrophobicContact CD2-CB 4.42Å; L249-L261 HydrophobicContact CD1-CB 3.8Å; L249-L261 HydrophobicContact CD1-CD2 3.7Å; L249-L261 HydrophobicContact CD1-CG 4.33Å; L249-L261 HydrophobicContact CD2-CD2 4.18Å; L249-L263 HydrophobicContact CB-CD2 4.02Å; L249-L263 HydrophobicContact CD1-CD2 3.7Å; L249-V507 HydrophobicContact CB-CG2 4.41Å; L249-V507 HydrophobicContact CD2-CG2 3.97Å; L249-V507 HydrophobicContact CG-CG2 3.84Å; L249-V507 WeakPolarHBondContact O-CB 3.23Å; L249-V507 WeakPolarHBondContact O-CG2 3.49Å; L249-P510 WeakPolarHBondContact O-CG 3.49Å
250	A	98.3	Very high	96.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-33.2	176	0	0	0	0	0	112.9	Y212 V262 V507 P510	Y212-A250 HydrophobicContact CD1-CB 4.22Å; Y212-A250 HydrophobicContact CE1-CB 3.49Å; Y212-A250 VanDerWaalsContact CE1-CB 3.49Å; A250-V262 PolarHBondContact N-O 3.2Å; A250-V507 PolarHBondContact O-N 3.12Å; A250-P510 HydrophobicContact CB-CB 4.03Å
251	Y	98.6	Very high	96.7	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	141.8	179.7	-49.3	-97.3	0	0	0	112.4	V181 F186 V205 Y212 L249 V262 G505 S506 W511 E514	V181-Y251 HydrophobicContact CG1-CD1 4.08Å; V181-Y251 HydrophobicContact CG2-CD1 3.8Å; V181-Y251 HydrophobicContact CG2-CE1 4.38Å; F186-Y251 AromaticContact CE1-CD2 3.89Å; F186-Y251 HydrophobicContact CE1-CD2 3.89Å; F186-Y251 HydrophobicContact CE1-CE2 4.11Å; F186-Y251 HydrophobicContact CE1-CG 4.29Å; F186-Y251 HydrophobicContact CZ-CD1 4.16Å; F186-Y251 AromaticContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CE2 4.35Å; F186-Y251 AromaticContact CZ-CG 3.74Å; F186-Y251 HydrophobicContact CZ-CG 3.74Å; V205-Y251 HydrophobicContact CG2-CE2 3.88Å; Y212-Y251 HydrophobicContact CE2-CE2 4.15Å; L249-Y251 WeakPolarHBondContact CD1-O 3.21Å; Y251-V262 HydrophobicContact CD2-CB 3.87Å; Y251-V262 HydrophobicContact CD2-CG1 3.75Å; Y251-V262 HydrophobicContact CD2-CG2 4.39Å; Y251-V262 HydrophobicContact CG-CB 4.32Å; Y251-V262 PolarHBondContact N-O 2.91Å; Y251-V262 PolarHBondContact O-N 3.47Å; Y251-G505 CarbonylContact C-O 3.38Å; Y251-G505 VanDerWaalsContact CA-O 3.22Å; Y251-G505 WeakPolarHBondContact CA-O 3.39Å; Y251-S506 WeakPolarHBondContact CE1-OG 3.22Å; Y251-W511 AromaticContact CE1-CD1 3.61Å; Y251-W511 AromaticContact CZ-CD1 3.73Å; Y251-W511 VanDerWaalsContact OH-CD1 3.28Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.13Å; Y251-E514 VanDerWaalsContact OH-CD 3.26Å; Y251-E514 PolarHBondContact OH-OE1 3.14Å; Y251-E514 PolarHBondContact OH-OE2 3.12Å
252	A	98.4	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.6	168.7	0	0	0	0	0	110	K235 L249 C260 L261 F502 T504 G505	K235-A252 HydrophobicContact CG-CB 4.28Å; L249-A252 HydrophobicContact CD2-CB 4.42Å; A252-C260 WeakPolarHBondContact CA-O 3.28Å; A252-L261 HydrophobicContact CB-CD2 4.15Å; A252-F502 HydrophobicContact CB-CE1 4.39Å; A252-T504 PolarHBondContact O-N 3.35Å; A252-G505 PolarHBondContact N-O 2.82Å; A252-G505 PolarHBondContact O-N 3.1Å
253	Y	98.4	Very high	97.2	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	171.5	-176.9	75.8	-81.5	0	0	0	111.7	V181 F186 T255 C260 V262	V181-Y253 HydrophobicContact CG1-CD1 4.05Å; V181-Y253 HydrophobicContact CG1-CG 4.03Å; F186-Y253 AromaticContact CD2-CE1 3.82Å; F186-Y253 HydrophobicContact CD2-CE1 3.82Å; F186-Y253 AromaticContact CD2-CZ 3.84Å; F186-Y253 AromaticContact CE2-CD1 3.78Å; F186-Y253 HydrophobicContact CE2-CD1 3.78Å; F186-Y253 AromaticContact CE2-CE1 3.37Å; F186-Y253 HydrophobicContact CE2-CE1 3.37Å; F186-Y253 AromaticContact CE2-CZ 3.85Å; F186-Y253 HydrophobicContact CZ-CD1 4.43Å; F186-Y253 HydrophobicContact CZ-CE1 4.15Å; Y253-T255 HydrophobicContact CD2-CG2 4.48Å; Y253-T255 HydrophobicContact CE2-CG2 3.83Å; Y253-C260 HydrophobicContact CD1-CB 3.7Å; Y253-C260 HydrophobicContact CD2-CB 4.32Å; Y253-C260 HydrophobicContact CE1-CB 3.34Å; Y253-C260 HydrophobicContact CE2-CB 4.01Å; Y253-C260 HydrophobicContact CG-CB 4.18Å; Y253-C260 PolarHBondContact N-O 3.09Å; Y253-C260 VanDerWaalsContact N-O 3.09Å; Y253-C260 WeakPolarHBondContact O-CB 3.5Å; Y253-C260 PolarHBondContact O-N 2.86Å; Y253-V262 HydrophobicContact CD1-CG2 4.11Å; Y253-V262 HydrophobicContact CE1-CG2 3.64Å
254	E	97.2	Very high	97.3	Very high	78 Å²	78	25.9 Å²	25.9	36%	0.364	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	160.9	175.9	70.3	177	155.9	0	0	113.3	K219 L259 V503	K219-E254 WeakPolarHBondContact CE-OE2 3.31Å; K219-E254 IonicContact NZ-OE2 3.74Å; K219-E254 PolarHBondContact NZ-OE2 3.29Å; E254-L259 HydrophobicContact CB-CD2 3.9Å; E254-V503 HydrophobicContact CB-CG2 3.63Å; E254-V503 HydrophobicContact CG-CG2 3.75Å
255	T	96.4	Very high	97.3	Very high	42 Å²	42	24.7 Å²	24.7	26%	0.258	13%	0.126	S	C	.	.			trans	-123.2	-178	166.3	65.9	0	0	0	0	108.8	K183 K219 Y253 D257 A258	K183-T255 HydrophobicContact CB-CG2 4.34Å; K219-T255 PolarHBondContact NZ-O 3.18Å; Y253-T255 HydrophobicContact CD2-CG2 4.48Å; Y253-T255 HydrophobicContact CE2-CG2 3.83Å; T255-D257 PolarHBondContact O-N 3.02Å; T255-D257 PolarHBondContact OG1-N 3.42Å; T255-A258 PolarHBondContact N-O 3.39Å; T255-A258 PolarHBondContact OG1-N 3.25Å; T255-A258 PolarHBondContact OG1-O 3.19Å; T255-A258 VanDerWaalsContact OG1-O 3.06Å
256	K	94.3	Very high	97.2	Very high	178 Å²	178	25.4 Å²	25.4	77%	0.774	13%	0.13	S	C	*	.	S	Bend	trans	-53.7	-40.9	173.7	-173.3	-180	177.2	-178.9	0	112.1
257	D	94.4	Very high	96.8	Very high	106 Å²	106	26 Å²	26	57%	0.567	13%	0.133	S	C	*	.	S	Bend	trans	-116.3	-11.9	-166.8	-56	-64.2	0	0	0	114.2	K219 T255	K219-D257 PolarHBondContact N-O 3.23Å; T255-D257 PolarHBondContact O-N 3.02Å; T255-D257 PolarHBondContact OG1-N 3.42Å
258	A	96.4	Very high	96.7	Very high	10 Å²	10	25.7 Å²	25.7	8%	0.083	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.6	-174.2	0	0	0	0	0	113.7	K216 L217 T255	K216-A258 HydrophobicContact CB-CB 4.29Å; L217-A258 CarbonylContact O-C 3.54Å; L217-A258 WeakPolarHBondContact O-CA 3.32Å; L217-A258 WeakPolarHBondContact O-CB 3.44Å; T255-A258 PolarHBondContact N-O 3.39Å; T255-A258 PolarHBondContact OG1-N 3.25Å; T255-A258 PolarHBondContact OG1-O 3.19Å; T255-A258 VanDerWaalsContact OG1-O 3.06Å
259	L	97.8	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.2	161.2	-60.2	176.4	0	0	0	109	K216 L217 K219 E254 F498 Y499 F502	K216-L259 CarbonylContact C-O 3.5Å; K216-L259 WeakPolarHBondContact CA-O 3.28Å; L217-L259 HydrophobicContact CB-CB 4.32Å; L217-L259 PolarHBondContact N-O 3.14Å; L217-L259 PolarHBondContact O-N 3.01Å; K219-L259 HydrophobicContact CG-CG 4.3Å; E254-L259 HydrophobicContact CB-CD2 3.9Å; L259-F498 HydrophobicContact CD1-CD1 4.48Å; L259-F498 HydrophobicContact CD1-CE1 3.46Å; L259-F498 VanDerWaalsContact CD1-CE1 3.46Å; L259-F498 HydrophobicContact CD1-CZ 3.52Å; L259-Y499 HydrophobicContact CD1-CD1 4.1Å; L259-Y499 HydrophobicContact CD1-CE1 4.33Å; L259-Y499 HydrophobicContact CD2-CD1 3.77Å; L259-Y499 HydrophobicContact CD2-CE1 4.4Å; L259-Y499 HydrophobicContact CD2-CG 4.32Å; L259-Y499 HydrophobicContact CG-CD1 4.29Å; L259-F502 HydrophobicContact CB-CD1 4Å; L259-F502 HydrophobicContact CB-CE1 3.64Å; L259-F502 HydrophobicContact CB-CE2 4.47Å; L259-F502 HydrophobicContact CB-CZ 3.87Å; L259-F502 HydrophobicContact CD1-CB 4.48Å; L259-F502 HydrophobicContact CD1-CD1 4.22Å; L259-F502 HydrophobicContact CD1-CD2 4.04Å; L259-F502 HydrophobicContact CD1-CE1 4.48Å; L259-F502 HydrophobicContact CD1-CE2 4.28Å; L259-F502 HydrophobicContact CD1-CG 3.99Å; L259-F502 HydrophobicContact CD1-CZ 4.47Å; L259-F502 HydrophobicContact CD2-CD1 3.97Å; L259-F502 HydrophobicContact CD2-CE1 4.46Å; L259-F502 HydrophobicContact CD2-CG 4.33Å; L259-F502 HydrophobicContact CG-CD1 4.29Å; L259-F502 HydrophobicContact CG-CE1 4.42Å
260	C	98.4	Very high	96.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.7	-172.3	-63.8	0	0	0	0	111.3	K215 A252 Y253	K215-C260 WeakPolarHBondContact O-CA 3.45Å; A252-C260 WeakPolarHBondContact CA-O 3.28Å; Y253-C260 HydrophobicContact CD1-CB 3.7Å; Y253-C260 HydrophobicContact CD2-CB 4.32Å; Y253-C260 HydrophobicContact CE1-CB 3.34Å; Y253-C260 HydrophobicContact CE2-CB 4.01Å; Y253-C260 HydrophobicContact CG-CB 4.18Å; Y253-C260 PolarHBondContact N-O 3.09Å; Y253-C260 VanDerWaalsContact N-O 3.09Å; Y253-C260 WeakPolarHBondContact O-CB 3.5Å; Y253-C260 PolarHBondContact O-N 2.86Å
261	L	98.4	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.4	166	-61.5	175.5	0	0	0	108.7	C214 K215 E234 K235 L238 L249 A252 L263 F502	C214-L261 WeakPolarHBondContact CA-O 3.3Å; K215-L261 HydrophobicContact CB-CB 4.36Å; K215-L261 PolarHBondContact N-O 2.94Å; K215-L261 PolarHBondContact O-N 3.27Å; E234-L261 HydrophobicContact CG-CD1 4.44Å; K235-L261 HydrophobicContact CB-CD2 3.97Å; K235-L261 HydrophobicContact CG-CD2 3.8Å; L238-L261 HydrophobicContact CD1-CD1 4.3Å; L249-L261 HydrophobicContact CD1-CB 3.8Å; L249-L261 HydrophobicContact CD1-CD2 3.7Å; L249-L261 HydrophobicContact CD1-CG 4.33Å; L249-L261 HydrophobicContact CD2-CD2 4.18Å; A252-L261 HydrophobicContact CB-CD2 4.15Å; L261-L263 HydrophobicContact CB-CD2 4.11Å; L261-L263 HydrophobicContact CB-CG 4.26Å; L261-F502 HydrophobicContact CD1-CZ 4.38Å; L261-F502 HydrophobicContact CD2-CE1 3.91Å; L261-F502 HydrophobicContact CD2-CE2 4.14Å; L261-F502 HydrophobicContact CD2-CZ 3.4Å; L261-F502 HydrophobicContact CG-CE1 4.46Å; L261-F502 HydrophobicContact CG-CZ 3.73Å
262	V	98.6	Very high	96	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	107.2	177.3	-175.6	0	0	0	0	108.4	F186 Y212 A213 A250 Y251 Y253	F186-V262 HydrophobicContact CE1-CG1 4.04Å; F186-V262 HydrophobicContact CE1-CG2 4.04Å; F186-V262 HydrophobicContact CE2-CG2 4.26Å; F186-V262 HydrophobicContact CZ-CG2 3.79Å; Y212-V262 HydrophobicContact CD1-CG1 4Å; Y212-V262 HydrophobicContact CD2-CG1 4.1Å; Y212-V262 HydrophobicContact CG-CG1 3.58Å; A213-V262 CarbonylContact O-C 3.55Å; A213-V262 WeakPolarHBondContact O-CA 3.1Å; A250-V262 PolarHBondContact N-O 3.2Å; Y251-V262 HydrophobicContact CD2-CB 3.87Å; Y251-V262 HydrophobicContact CD2-CG1 3.75Å; Y251-V262 HydrophobicContact CD2-CG2 4.39Å; Y251-V262 HydrophobicContact CG-CB 4.32Å; Y251-V262 PolarHBondContact N-O 2.91Å; Y251-V262 PolarHBondContact O-N 3.47Å; Y253-V262 HydrophobicContact CD1-CG2 4.11Å; Y253-V262 HydrophobicContact CE1-CG2 3.64Å
263	L	98	Very high	95.7	Very high	17 Å²	17	34.2 Å²	34.2	9%	0.089	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	156.1	-168.5	-53.6	175.5	0	0	0	110.9	Y212 A213 K215 L238 S248 L249 L261 L265	Y212-L263 VanDerWaalsContact CD1-O 3.31Å; Y212-L263 WeakPolarHBondContact CD1-O 3.5Å; A213-L263 PolarHBondContact N-O 3.26Å; A213-L263 PolarHBondContact O-N 2.98Å; K215-L263 HydrophobicContact CB-CD1 4.23Å; K215-L263 HydrophobicContact CD-CD1 4.45Å; L238-L263 HydrophobicContact CD1-CD2 3.78Å; S248-L263 CarbonylContact O-C 3.5Å; S248-L263 VanDerWaalsContact O-CA 3.28Å; S248-L263 WeakPolarHBondContact O-CA 3.44Å; L249-L263 HydrophobicContact CB-CD2 4.02Å; L249-L263 HydrophobicContact CD1-CD2 3.7Å; L261-L263 HydrophobicContact CB-CD2 4.11Å; L261-L263 HydrophobicContact CB-CG 4.26Å; L263-L265 PolarHBondContact O-N 3.25Å
264	T	95.9	Very high	95.5	Very high	36 Å²	36	34.2 Å²	34.2	22%	0.221	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-43	127.5	168.7	-53.7	0	0	0	0	111	S248 M266	S248-T264 PolarHBondContact N-OG1 3.19Å; S248-T264 PolarHBondContact O-N 3.12Å; S248-T264 PolarHBondContact O-OG1 3.05Å; T264-M266 HydrophobicContact CG2-SD 3.85Å
265	L	95.7	Very high	95.4	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.089	15%	0.154	C	C	.	.			trans	-79.9	122.5	177.5	-178.8	60.8	0	0	0	110.1	L192 M211 A213 L263 N267	L192-L265 HydrophobicContact CD1-CD1 3.62Å; M211-L265 HydrophobicContact CB-CD2 3.7Å; M211-L265 HydrophobicContact CE-CD2 4.26Å; A213-L265 HydrophobicContact CB-CD1 4.05Å; L263-L265 PolarHBondContact O-N 3.25Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.31Å; L265-N267 WeakPolarHBondContact CG-OD1 3.43Å
266	M	95.3	Very high	95.1	Very high	18 Å²	18	30 Å²	30	9%	0.089	15%	0.148	C	C	.	.			trans	-109.8	95	179	-55.6	-59	-69.9	0	0	108.8	V247 T264 L318 L319 D320 R326	V247-M266 HydrophobicContact CG1-CG 4.05Å; T264-M266 HydrophobicContact CG2-SD 3.85Å; M266-L318 HydrophobicContact CB-CB 3.42Å; M266-L318 VanDerWaalsContact CB-CB 3.42Å; M266-L318 HydrophobicContact CB-CD1 3.9Å; M266-L318 HydrophobicContact CB-CG 4.3Å; M266-L318 HydrophobicContact CE-CB 4.26Å; M266-L318 WeakPolarHBondContact CE-O 3.44Å; M266-L318 HydrophobicContact CG-CB 3.68Å; M266-L318 HydrophobicContact CG-CD1 3.89Å; M266-L318 HydrophobicContact CG-CG 4.44Å; M266-L319 CarbonylContact C-O 3.51Å; M266-L319 WeakPolarHBondContact CA-O 3.26Å; M266-L319 WeakPolarHBondContact CB-O 3.37Å; M266-D320 HydrophobicContact CE-CB 3.9Å; M266-D320 HydrophobicContact SD-CB 4.27Å; M266-R326 HydrophobicContact CE-CB 3.7Å; M266-R326 HydrophobicContact CE-CG 3.57Å; M266-R326 HydrophobicContact SD-CB 4.33Å; M266-R326 HydrophobicContact SD-CG 4.16Å
267	N	90.8	Very high	94.7	Very high	13 Å²	13	26.3 Å²	26.3	7%	0.07	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-20.1	-167.9	-78	-35.2	0	0	0	114.5	R16 L265 G269 L319 D321	R16-N267 VanDerWaalsContact NE-CG 3.26Å; R16-N267 PolarHBondContact NE-OD1 2.93Å; R16-N267 VanDerWaalsContact NH2-CG 3.28Å; R16-N267 PolarHBondContact NH2-OD1 2.97Å; L265-N267 WeakPolarHBondContact CD2-OD1 3.31Å; L265-N267 WeakPolarHBondContact CG-OD1 3.43Å; N267-G269 PolarHBondContact O-N 3.28Å; N267-L319 PolarHBondContact N-O 3.46Å; N267-D321 WeakPolarHBondContact CB-OD1 3.31Å; N267-D321 VanDerWaalsContact ND2-CG 3.32Å; N267-D321 PolarHBondContact ND2-OD1 3.47Å; N267-D321 PolarHBondContact ND2-OD2 3.29Å
268	G	93.6	Very high	94	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-2.2	-179.7	0	0	0	0	0	114	H274 L319 Y473	G268-H274 PolarHBondContact O-NE2 3.44Å; G268-L319 WeakPolarHBondContact CA-O 3.31Å; G268-L319 PolarHBondContact N-O 3.4Å; G268-Y473 VanDerWaalsContact O-CB 3.27Å; G268-Y473 WeakPolarHBondContact O-CB 3.38Å
269	G	93.3	Very high	93.2	Very high	10 Å²	10	27.1 Å²	27.1	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.8	-174.1	-179.6	0	0	0	0	0	113.1	N267 L318 L319 Y473	N267-G269 PolarHBondContact O-N 3.28Å; G269-L318 CarbonylContact O-C 3.25Å; G269-L318 WeakPolarHBondContact O-CA 3.36Å; G269-L319 PolarHBondContact O-N 3.4Å; G269-Y473 WeakPolarHBondContact CA-O 3.36Å
270	D	94.8	Very high	92.7	Very high	46 Å²	46	34.3 Å²	34.3	25%	0.246	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	154.3	-177.7	62	76.6	0	0	0	113.2	K272 F273 H274 I317 L318	D270-K272 PolarHBondContact O-N 3.01Å; D270-K272 WeakPolarHBondContact OD1-CA 3.45Å; D270-K272 WeakPolarHBondContact OD1-CB 3.16Å; D270-K272 PolarHBondContact OD1-N 3.47Å; D270-K272 VanDerWaalsContact OD1-N 3.12Å; D270-F273 WeakPolarHBondContact O-CB 3.44Å; D270-F273 PolarHBondContact O-N 3.36Å; D270-F273 VanDerWaalsContact O-N 3.09Å; D270-F273 PolarHBondContact OD1-N 3.16Å; D270-H274 PolarHBondContact O-CD2 3.32Å; D270-H274 VanDerWaalsContact O-CD2 3.3Å; D270-H274 PolarHBondContact O-N 3.49Å; D270-I317 CarbonylContact C-O 3.55Å; D270-I317 VanDerWaalsContact CA-O 3.32Å; D270-I317 WeakPolarHBondContact CA-O 3.45Å; D270-L318 HydrophobicContact CB-CD2 3.61Å
271	L	96.3	Very high	92.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-28.4	-179.6	-77.7	-174.3	0	0	0	113.1	F273 H274 I275 F283 Y291 P314 I317 L319 M378	L271-F273 VanDerWaalsContact C-N 3.33Å; L271-F273 PolarHBondContact O-N 3.02Å; L271-H274 PolarHBondContact O-N 2.83Å; L271-I275 HydrophobicContact CB-CD1 4.45Å; L271-I275 WeakPolarHBondContact O-CB 3.42Å; L271-I275 WeakPolarHBondContact O-CG1 3.3Å; L271-I275 PolarHBondContact O-N 3Å; L271-F283 HydrophobicContact CD2-CE2 4.02Å; L271-F283 HydrophobicContact CD2-CZ 4.1Å; L271-Y291 HydrophobicContact CD2-CD2 3.73Å; L271-Y291 HydrophobicContact CD2-CE2 3.79Å; L271-P314 HydrophobicContact CB-CB 4.07Å; L271-P314 WeakPolarHBondContact CB-O 3.37Å; L271-P314 PolarHBondContact N-O 2.81Å; L271-P314 VanDerWaalsContact N-O 3.15Å; L271-I317 HydrophobicContact CB-CB 4.33Å; L271-I317 HydrophobicContact CD1-CB 3.59Å; L271-I317 HydrophobicContact CD1-CG1 4.18Å; L271-I317 HydrophobicContact CD1-CG2 3.43Å; L271-I317 VanDerWaalsContact CD1-CG2 3.43Å; L271-I317 HydrophobicContact CG-CB 3.8Å; L271-I317 HydrophobicContact CG-CG2 3.7Å; L271-I317 PolarHBondContact N-O 3.24Å; L271-L319 HydrophobicContact CD2-CD1 3.7Å; L271-L319 HydrophobicContact CG-CD1 4.26Å; L271-M378 HydrophobicContact CD1-SD 3.96Å
272	K	94.5	Very high	92.1	Very high	87 Å²	87	37 Å²	37	38%	0.378	21%	0.214	S	C	.	.	H	α-helix	trans	-60.8	-45.2	175.8	-176.3	-178	-175.4	164.1	0	110.7	D270 H274 I275 Y276 P314 E315	D270-K272 PolarHBondContact O-N 3.01Å; D270-K272 WeakPolarHBondContact OD1-CA 3.45Å; D270-K272 WeakPolarHBondContact OD1-CB 3.16Å; D270-K272 PolarHBondContact OD1-N 3.47Å; D270-K272 VanDerWaalsContact OD1-N 3.12Å; K272-H274 VanDerWaalsContact C-N 3.31Å; K272-H274 PolarHBondContact O-N 3.02Å; K272-I275 PolarHBondContact O-N 3.34Å; K272-Y276 HydrophobicContact CB-CD2 4.46Å; K272-Y276 HydrophobicContact CG-CD2 3.58Å; K272-Y276 HydrophobicContact CG-CE2 4Å; K272-Y276 WeakPolarHBondContact O-CB 3.38Å; K272-Y276 VanDerWaalsContact O-CD2 3.25Å; K272-Y276 WeakPolarHBondContact O-CD2 3.43Å; K272-Y276 PolarHBondContact O-N 3.5Å; K272-Y276 VanDerWaalsContact O-N 3.08Å; K272-P314 HydrophobicContact CB-CB 3.89Å; K272-P314 PolarHBondContact N-O 3.03Å; K272-E315 HydrophobicContact CB-CG 4.23Å; K272-E315 HydrophobicContact CD-CG 3.56Å; K272-E315 WeakPolarHBondContact CD-OE1 3.31Å; K272-E315 WeakPolarHBondContact CE-OE1 3.32Å; K272-E315 IonicContact NZ-OE1 3.48Å; K272-E315 PolarHBondContact NZ-OE1 3.14Å
273	F	91.1	Very high	92	Very high	59 Å²	59	38 Å²	38	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-57.9	-46.6	175.1	-174.7	-89.1	0	0	0	110.9	D270 L271 I275 Y276 N277 M278 Y473	D270-F273 WeakPolarHBondContact O-CB 3.44Å; D270-F273 PolarHBondContact O-N 3.36Å; D270-F273 VanDerWaalsContact O-N 3.09Å; D270-F273 PolarHBondContact OD1-N 3.16Å; L271-F273 VanDerWaalsContact C-N 3.33Å; L271-F273 PolarHBondContact O-N 3.02Å; F273-I275 PolarHBondContact O-N 2.84Å; F273-Y276 PolarHBondContact O-N 3.29Å; F273-N277 HydrophobicContact CD1-CB 4.47Å; F273-N277 HydrophobicContact CD2-CB 3.96Å; F273-N277 HydrophobicContact CE1-CB 4.37Å; F273-N277 HydrophobicContact CE2-CB 3.88Å; F273-N277 HydrophobicContact CG-CB 4.27Å; F273-N277 HydrophobicContact CZ-CB 4.09Å; F273-N277 WeakPolarHBondContact O-CA 3.45Å; F273-N277 VanDerWaalsContact O-CB 3.25Å; F273-N277 WeakPolarHBondContact O-CB 3.29Å; F273-N277 PolarHBondContact O-N 3.25Å; F273-M278 HydrophobicContact CD1-CG 4.32Å; F273-M278 HydrophobicContact CE1-CG 4.08Å; F273-Y473 HydrophobicContact CD1-CD1 4.11Å; F273-Y473 AromaticContact CE1-CD1 3.78Å; F273-Y473 HydrophobicContact CE1-CD1 3.78Å
274	H	93.8	Very high	91.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-45.2	179.3	-75.7	-93.9	0	0	0	112.6	G268 D270 L271 K272 Y276 M278 F283 R287 F465	G268-H274 PolarHBondContact O-NE2 3.44Å; D270-H274 PolarHBondContact O-CD2 3.32Å; D270-H274 VanDerWaalsContact O-CD2 3.3Å; D270-H274 PolarHBondContact O-N 3.49Å; L271-H274 PolarHBondContact O-N 2.83Å; K272-H274 VanDerWaalsContact C-N 3.31Å; K272-H274 PolarHBondContact O-N 3.02Å; H274-Y276 PolarHBondContact O-N 2.97Å; H274-M278 HydrophobicContact CB-SD 4.45Å; H274-M278 PolarHBondContact CE1-SD 3.27Å; H274-M278 PolarHBondContact ND1-SD 3.08Å; H274-M278 WeakPolarHBondContact O-CB 3.2Å; H274-F283 HydrophobicContact CB-CE1 3.72Å; H274-F283 HydrophobicContact CB-CZ 3.57Å; H274-R287 PolarHBondContact ND1-NH2 2.99Å; H274-F465 AromaticContact CE1-CE1 3.37Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.35Å; H274-F465 AromaticContact CE1-CZ 3.77Å; H274-F465 AromaticContact ND1-CE1 3.75Å
275	I	94.6	Very high	91.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-37.9	-177.8	-67.7	167.9	0	0	0	111.6	L271 K272 F273 S281 G282 F283 P314 E377 M378	L271-I275 HydrophobicContact CB-CD1 4.45Å; L271-I275 WeakPolarHBondContact O-CB 3.42Å; L271-I275 WeakPolarHBondContact O-CG1 3.3Å; L271-I275 PolarHBondContact O-N 3Å; K272-I275 PolarHBondContact O-N 3.34Å; F273-I275 PolarHBondContact O-N 2.84Å; I275-S281 VanDerWaalsContact O-CA 3.31Å; I275-S281 WeakPolarHBondContact O-CA 3.35Å; I275-G282 PolarHBondContact O-N 3.37Å; I275-F283 HydrophobicContact CB-CZ 4.36Å; I275-F283 HydrophobicContact CD1-CE2 4.49Å; I275-F283 HydrophobicContact CD1-CZ 4.47Å; I275-F283 HydrophobicContact CG1-CE1 3.96Å; I275-F283 HydrophobicContact CG1-CE2 3.77Å; I275-F283 HydrophobicContact CG1-CZ 3.4Å; I275-F283 VanDerWaalsContact CG1-CZ 3.4Å; I275-P314 HydrophobicContact CD1-CB 4Å; I275-P314 HydrophobicContact CD1-CG 4.08Å; I275-E377 HydrophobicContact CD1-CG 4.3Å; I275-M378 HydrophobicContact CD1-CG 3.89Å; I275-M378 HydrophobicContact CG1-CG 4.4Å
276	Y	91.1	Very high	91.7	Very high	31 Å²	31	48.2 Å²	48.2	12%	0.122	27%	0.265	C	S	.	.	H	α-helix	trans	-112.1	-15.8	-164.3	-68.9	-64.1	0	0	0	115.9	K272 F273 H274 E377 G381 R388	K272-Y276 HydrophobicContact CB-CD2 4.46Å; K272-Y276 HydrophobicContact CG-CD2 3.58Å; K272-Y276 HydrophobicContact CG-CE2 4Å; K272-Y276 WeakPolarHBondContact O-CB 3.38Å; K272-Y276 VanDerWaalsContact O-CD2 3.25Å; K272-Y276 WeakPolarHBondContact O-CD2 3.43Å; K272-Y276 PolarHBondContact O-N 3.5Å; K272-Y276 VanDerWaalsContact O-N 3.08Å; F273-Y276 PolarHBondContact O-N 3.29Å; H274-Y276 PolarHBondContact O-N 2.97Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.39Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.32Å; Y276-E377 PolarHBondContact OH-OE1 3.19Å; Y276-G381 VanDerWaalsContact CE1-O 3.29Å; Y276-G381 WeakPolarHBondContact CE1-O 3.33Å; Y276-R388 PolarHBondContact O-NH1 3Å; Y276-R388 PolarHBondContact O-NH2 3.32Å
277	N	85.4	Confident	91.8	Very high	100 Å²	100	48.3 Å²	48.3	54%	0.535	27%	0.265	S	S	.	.	H	α-helix	trans	-122.1	-11	-173.9	-66.2	82.4	0	0	0	113.4	F273 G279	F273-N277 HydrophobicContact CD1-CB 4.47Å; F273-N277 HydrophobicContact CD2-CB 3.96Å; F273-N277 HydrophobicContact CE1-CB 4.37Å; F273-N277 HydrophobicContact CE2-CB 3.88Å; F273-N277 HydrophobicContact CG-CB 4.27Å; F273-N277 HydrophobicContact CZ-CB 4.09Å; F273-N277 WeakPolarHBondContact O-CA 3.45Å; F273-N277 VanDerWaalsContact O-CB 3.25Å; F273-N277 WeakPolarHBondContact O-CB 3.29Å; F273-N277 PolarHBondContact O-N 3.25Å; N277-G279 PolarHBondContact O-N 3.14Å
278	M	80.1	Confident	92.2	Very high	64 Å²	64	47.7 Å²	47.7	32%	0.315	26%	0.261	S	S	.	.	S	Bend	trans	-98.3	78.4	177.1	-66.8	-167.1	60.8	0	0	112	F273 H274 F465 Y473	F273-M278 HydrophobicContact CD1-CG 4.32Å; F273-M278 HydrophobicContact CE1-CG 4.08Å; H274-M278 HydrophobicContact CB-SD 4.45Å; H274-M278 PolarHBondContact CE1-SD 3.27Å; H274-M278 PolarHBondContact ND1-SD 3.08Å; H274-M278 WeakPolarHBondContact O-CB 3.2Å; M278-F465 HydrophobicContact CE-CE2 3.67Å; M278-F465 HydrophobicContact CE-CZ 3.64Å; M278-F465 HydrophobicContact SD-CZ 4.21Å; M278-Y473 HydrophobicContact CE-CE1 4.47Å; M278-Y473 HydrophobicContact SD-CE1 4.09Å
279	G	80.2	Confident	92.3	Very high	70 Å²	70	48.5 Å²	48.5	72%	0.722	27%	0.266	S	S	*	.	S	Bend	trans	76.8	-127.8	175.7	0	0	0	0	0	113.2	N277	N277-G279 PolarHBondContact O-N 3.14Å
280	N	87	Confident	92.6	Very high	151 Å²	151	48.9 Å²	48.9	81%	0.807	27%	0.265	S	S	*	.	S	Bend	trans	-72.3	144.9	177.3	-70.5	-25.9	0	0	0	110.3	G282	N280-G282 PolarHBondContact O-N 2.89Å
281	S	90.7	Very high	92.8	Very high	45 Å²	45	46.7 Å²	46.7	32%	0.315	25%	0.253	S	S	.	.	S	Bend	trans	-69	133	-177.2	-54.7	0	0	0	0	111.3	I275 K411	I275-S281 VanDerWaalsContact O-CA 3.31Å; I275-S281 WeakPolarHBondContact O-CA 3.35Å; S281-K411 PolarHBondContact O-NZ 3.32Å
282	G	94.3	Very high	92.9	Very high	13 Å²	13	46.7 Å²	46.7	13%	0.134	25%	0.253	C	S	.	.	S	Bend	trans	91.3	178.5	-175.7	0	0	0	0	0	113.7	I275 N280 M378	I275-G282 PolarHBondContact O-N 3.37Å; N280-G282 PolarHBondContact O-N 2.89Å; G282-M378 CarbonylContact C-O 3.55Å; G282-M378 WeakPolarHBondContact CA-O 3.28Å
283	F	95.7	Very high	93.1	Very high	21 Å²	21	42.6 Å²	42.6	9%	0.092	24%	0.235	C	C	.	.			trans	-115.8	164.1	-179.9	-54.1	-33.5	0	0	0	110.6	L271 H274 I275 R287 Y291 M378	L271-F283 HydrophobicContact CD2-CE2 4.02Å; L271-F283 HydrophobicContact CD2-CZ 4.1Å; H274-F283 HydrophobicContact CB-CE1 3.72Å; H274-F283 HydrophobicContact CB-CZ 3.57Å; I275-F283 HydrophobicContact CB-CZ 4.36Å; I275-F283 HydrophobicContact CD1-CE2 4.49Å; I275-F283 HydrophobicContact CD1-CZ 4.47Å; I275-F283 HydrophobicContact CG1-CE1 3.96Å; I275-F283 HydrophobicContact CG1-CE2 3.77Å; I275-F283 HydrophobicContact CG1-CZ 3.4Å; I275-F283 VanDerWaalsContact CG1-CZ 3.4Å; F283-R287 HydrophobicContact CB-CB 4.18Å; F283-R287 HydrophobicContact CB-CG 4.28Å; F283-R287 HydrophobicContact CD2-CG 4.27Å; F283-R287 HydrophobicContact CG-CG 4.24Å; F283-Y291 HydrophobicContact CD2-CD2 4.37Å; F283-Y291 HydrophobicContact CD2-CE2 4.46Å; F283-Y291 HydrophobicContact CE2-CD2 4.03Å; F283-Y291 HydrophobicContact CE2-CE2 4.06Å; F283-M378 HydrophobicContact CD2-CB 3.78Å; F283-M378 HydrophobicContact CD2-CG 3.84Å; F283-M378 HydrophobicContact CD2-SD 4.07Å; F283-M378 HydrophobicContact CE2-CB 4.14Å; F283-M378 HydrophobicContact CE2-CG 3.69Å; F283-M378 HydrophobicContact CE2-SD 3.88Å; F283-M378 PolarHBondContact N-O 3.4Å
284	D	94.2	Very high	93.4	Very high	89 Å²	89	39.8 Å²	39.8	48%	0.476	22%	0.223	S	C	.	.			trans	-62.8	154.9	157.1	63.2	92.6	0	0	0	110.6	Q286 R287 A288	D284-Q286 VanDerWaalsContact C-N 3.31Å; D284-Q286 PolarHBondContact O-N 2.94Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.5Å; D284-Q286 PolarHBondContact OD1-N 3.37Å; D284-R287 PolarHBondContact O-N 3.12Å; D284-R287 WeakPolarHBondContact OD1-CB 3.47Å; D284-R287 PolarHBondContact OD1-N 3.44Å; D284-R287 WeakPolarHBondContact OD2-CB 3.24Å; D284-A288 PolarHBondContact O-N 3.16Å; D284-A288 VanDerWaalsContact O-N 3.12Å
285	E	94.7	Very high	93.7	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.238	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-40.3	-175.6	-169.4	171.5	113	0	0	111.5	R287 A288 L289 I379 S413 A416	E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 2.95Å; E285-A288 PolarHBondContact O-N 3.03Å; E285-L289 HydrophobicContact CG-CD1 3.8Å; E285-L289 HydrophobicContact CG-CG 4.06Å; E285-L289 WeakPolarHBondContact O-CB 3.33Å; E285-L289 WeakPolarHBondContact O-CG 3.18Å; E285-L289 PolarHBondContact O-N 3.32Å; E285-I379 HydrophobicContact CG-CD1 4.28Å; E285-S413 WeakPolarHBondContact OE1-CB 3.41Å; E285-S413 PolarHBondContact OE1-OG 3.5Å; E285-S413 VanDerWaalsContact OE2-CB 3.3Å; E285-S413 WeakPolarHBondContact OE2-CB 3.48Å; E285-S413 PolarHBondContact OE2-N 3.48Å; E285-S413 PolarHBondContact OE2-OG 3.23Å; E285-A416 HydrophobicContact CG-CB 4.44Å; E285-A416 WeakPolarHBondContact OE2-CB 3.16Å
286	Q	95.5	Very high	93.9	Very high	143 Å²	143	39.7 Å²	39.7	67%	0.668	22%	0.222	S	C	*	.	H	α-helix	trans	-59.2	-44.7	-179.9	-178	-177.1	-7.6	0	0	111.9	D284 F290	D284-Q286 VanDerWaalsContact C-N 3.31Å; D284-Q286 PolarHBondContact O-N 2.94Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.5Å; D284-Q286 PolarHBondContact OD1-N 3.37Å; Q286-F290 PolarHBondContact O-N 3.46Å
287	R	97.1	Very high	94.2	Very high	20 Å²	20	38.3 Å²	38.3	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-44.9	175.6	-178.4	176.3	-174.4	-161.5	-3.4	112.5	H274 F283 D284 E285 L289 F290 Y291 P464	H274-R287 PolarHBondContact ND1-NH2 2.99Å; F283-R287 HydrophobicContact CB-CB 4.18Å; F283-R287 HydrophobicContact CB-CG 4.28Å; F283-R287 HydrophobicContact CD2-CG 4.27Å; F283-R287 HydrophobicContact CG-CG 4.24Å; D284-R287 PolarHBondContact O-N 3.12Å; D284-R287 WeakPolarHBondContact OD1-CB 3.47Å; D284-R287 PolarHBondContact OD1-N 3.44Å; D284-R287 WeakPolarHBondContact OD2-CB 3.24Å; E285-R287 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 2.95Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 2.75Å; R287-F290 PolarHBondContact O-N 3.14Å; R287-Y291 HydrophobicContact CG-CD2 4.19Å; R287-Y291 HydrophobicContact CG-CE2 3.62Å; R287-Y291 PolarHBondContact NE-OH 3.1Å; R287-Y291 VanDerWaalsContact NE-OH 3.1Å; R287-Y291 PolarHBondContact NH2-OH 2.74Å; R287-Y291 PolarHBondContact O-N 3.47Å; R287-P464 HydrophobicContact CB-CG 4.06Å; R287-P464 HydrophobicContact CG-CG 4.21Å
288	A	97.8	Very high	94.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-42.9	177.7	0	0	0	0	0	111.8	D284 E285 Y291 A292 M378 I379	D284-A288 PolarHBondContact O-N 3.16Å; D284-A288 VanDerWaalsContact O-N 3.12Å; E285-A288 PolarHBondContact O-N 3.03Å; A288-Y291 PolarHBondContact O-N 2.88Å; A288-A292 WeakPolarHBondContact O-CB 3.19Å; A288-A292 PolarHBondContact O-N 3.09Å; A288-M378 HydrophobicContact CB-CB 3.76Å; A288-M378 HydrophobicContact CB-CE 4.32Å; A288-M378 VanDerWaalsContact O-CE 3.31Å; A288-M378 WeakPolarHBondContact O-CE 3.31Å; A288-I379 HydrophobicContact CB-CD1 4.43Å; A288-I379 HydrophobicContact CB-CG1 3.71Å
289	L	97.3	Very high	95.7	Very high	17 Å²	17	30.5 Å²	30.5	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-37.2	-179.4	-66.4	176.1	0	0	0	113	E285 R287 A292 A293 I447 F448	E285-L289 HydrophobicContact CG-CD1 3.8Å; E285-L289 HydrophobicContact CG-CG 4.06Å; E285-L289 WeakPolarHBondContact O-CB 3.33Å; E285-L289 WeakPolarHBondContact O-CG 3.18Å; E285-L289 PolarHBondContact O-N 3.32Å; R287-L289 VanDerWaalsContact C-N 3.33Å; R287-L289 PolarHBondContact O-N 2.75Å; L289-A292 PolarHBondContact O-N 2.87Å; L289-A293 WeakPolarHBondContact O-CB 3.49Å; L289-A293 PolarHBondContact O-N 2.93Å; L289-I447 HydrophobicContact CD1-CD1 3.73Å; L289-I447 HydrophobicContact CD1-CG1 3.59Å; L289-I447 HydrophobicContact CD2-CD1 4.12Å; L289-I447 HydrophobicContact CD2-CG1 3.33Å; L289-I447 HydrophobicContact CD2-CG2 4.4Å; L289-I447 HydrophobicContact CG-CG1 4.07Å; L289-F448 HydrophobicContact CB-CE1 4.49Å; L289-F448 HydrophobicContact CD2-CE1 4.27Å
290	F	98.4	Very high	96.6	Very high	19 Å²	19	29 Å²	29	8%	0.083	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-49.7	174.3	-173.5	-87.5	0	0	0	110.8	Q286 R287 A292 A293 E294 L456 L461 P463 P464	Q286-F290 PolarHBondContact O-N 3.46Å; R287-F290 PolarHBondContact O-N 3.14Å; F290-A292 PolarHBondContact O-N 2.72Å; F290-A293 PolarHBondContact O-N 3.17Å; F290-E294 HydrophobicContact CD1-CG 4.42Å; F290-E294 VanDerWaalsContact CE1-CD 3.48Å; F290-E294 HydrophobicContact CE1-CG 4.1Å; F290-E294 PolarHBondContact O-N 3.13Å; F290-E294 VanDerWaalsContact O-N 3.14Å; F290-L456 HydrophobicContact CE2-CD1 3.9Å; F290-L456 HydrophobicContact CZ-CD1 3.86Å; F290-L461 HydrophobicContact CE2-CB 3.96Å; F290-L461 HydrophobicContact CZ-CB 4.47Å; F290-P463 HydrophobicContact CD1-CB 4.47Å; F290-P463 HydrophobicContact CE1-CB 3.84Å; F290-P463 HydrophobicContact CE1-CG 3.93Å; F290-P463 HydrophobicContact CZ-CB 4.15Å; F290-P463 HydrophobicContact CZ-CG 3.99Å; F290-P464 HydrophobicContact CB-CG 3.87Å; F290-P464 HydrophobicContact CD1-CG 4.47Å; F290-P464 VanDerWaalsContact CG-CD 3.46Å; F290-P464 HydrophobicContact CG-CG 4.1Å
291	Y	98.7	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-38.3	176.6	-62	-27.4	0	0	0	112.5	L271 F283 R287 A288 A293 E294 I295 L319 G323 I325 M378	L271-Y291 HydrophobicContact CD2-CD2 3.73Å; L271-Y291 HydrophobicContact CD2-CE2 3.79Å; F283-Y291 HydrophobicContact CD2-CD2 4.37Å; F283-Y291 HydrophobicContact CD2-CE2 4.46Å; F283-Y291 HydrophobicContact CE2-CD2 4.03Å; F283-Y291 HydrophobicContact CE2-CE2 4.06Å; R287-Y291 HydrophobicContact CG-CD2 4.19Å; R287-Y291 HydrophobicContact CG-CE2 3.62Å; R287-Y291 PolarHBondContact NE-OH 3.1Å; R287-Y291 VanDerWaalsContact NE-OH 3.1Å; R287-Y291 PolarHBondContact NH2-OH 2.74Å; R287-Y291 PolarHBondContact O-N 3.47Å; A288-Y291 PolarHBondContact O-N 2.88Å; Y291-A293 VanDerWaalsContact C-N 3.29Å; Y291-A293 PolarHBondContact O-N 2.91Å; Y291-E294 PolarHBondContact O-N 3.47Å; Y291-I295 WeakPolarHBondContact O-CB 3.44Å; Y291-I295 WeakPolarHBondContact O-CD1 3.44Å; Y291-I295 WeakPolarHBondContact O-CG1 3.36Å; Y291-I295 PolarHBondContact O-N 2.87Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.39Å; Y291-G323 WeakPolarHBondContact CE1-O 3.49Å; Y291-I325 HydrophobicContact CD1-CG1 4.49Å; Y291-I325 HydrophobicContact CD1-CG2 3.5Å; Y291-I325 VanDerWaalsContact CD1-CG2 3.5Å; Y291-I325 HydrophobicContact CE1-CG2 3.81Å; Y291-I325 HydrophobicContact CG-CG2 3.92Å; Y291-M378 HydrophobicContact CD2-SD 4.13Å
292	A	98.6	Very high	97.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-38.9	175.5	0	0	0	0	0	112.4	A288 L289 F290 I295 C296 L371 I375 M378 F448	A288-A292 WeakPolarHBondContact O-CB 3.19Å; A288-A292 PolarHBondContact O-N 3.09Å; L289-A292 PolarHBondContact O-N 2.87Å; F290-A292 PolarHBondContact O-N 2.72Å; A292-I295 PolarHBondContact O-N 3.46Å; A292-C296 VanDerWaalsContact O-CB 3.3Å; A292-C296 WeakPolarHBondContact O-CB 3.33Å; A292-C296 PolarHBondContact O-N 3.34Å; A292-L371 HydrophobicContact CB-CD1 4.33Å; A292-I375 HydrophobicContact CB-CD1 3.93Å; A292-I375 HydrophobicContact CB-CG1 3.65Å; A292-M378 HydrophobicContact CB-CE 4.34Å; A292-F448 HydrophobicContact CB-CE1 4.3Å; A292-F448 HydrophobicContact CB-CZ 4.22Å
293	A	98.6	Very high	97.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.2	-41.7	176	0	0	0	0	0	112.1	L289 F290 Y291 C296 C297 F448 I451 F453 L456	L289-A293 WeakPolarHBondContact O-CB 3.49Å; L289-A293 PolarHBondContact O-N 2.93Å; F290-A293 PolarHBondContact O-N 3.17Å; Y291-A293 VanDerWaalsContact C-N 3.29Å; Y291-A293 PolarHBondContact O-N 2.91Å; A293-C296 WeakPolarHBondContact O-CB 3.34Å; A293-C296 PolarHBondContact O-N 2.95Å; A293-C297 PolarHBondContact O-N 3.23Å; A293-C297 VanDerWaalsContact O-N 3.1Å; A293-F448 HydrophobicContact CB-CD1 4.31Å; A293-F448 HydrophobicContact CB-CE1 4.13Å; A293-I451 HydrophobicContact CB-CD1 3.58Å; A293-I451 HydrophobicContact CB-CG2 4.25Å; A293-F453 HydrophobicContact CB-CE1 3.79Å; A293-F453 HydrophobicContact CB-CZ 4.01Å; A293-L456 HydrophobicContact CB-CD2 3.61Å
294	E	98.7	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.8	-41.8	174.7	-67.9	-165.6	135.1	0	0	112.1	F245 F290 Y291 C296 C297 G298 H324 I325 L456	F245-E294 HydrophobicContact CD1-CB 3.77Å; F245-E294 HydrophobicContact CD1-CG 4.14Å; F245-E294 HydrophobicContact CE1-CB 3.88Å; F245-E294 HydrophobicContact CE1-CG 3.75Å; F290-E294 HydrophobicContact CD1-CG 4.42Å; F290-E294 VanDerWaalsContact CE1-CD 3.48Å; F290-E294 HydrophobicContact CE1-CG 4.1Å; F290-E294 PolarHBondContact O-N 3.13Å; F290-E294 VanDerWaalsContact O-N 3.14Å; Y291-E294 PolarHBondContact O-N 3.47Å; E294-C296 VanDerWaalsContact C-N 3.32Å; E294-C296 PolarHBondContact O-N 3.21Å; E294-C297 PolarHBondContact O-N 3.47Å; E294-G298 PolarHBondContact O-N 2.87Å; E294-H324 IonicContact OE1-CE1 3.14Å; E294-H324 IonicContact OE1-CG 2.9Å; E294-H324 IonicContact OE1-ND1 3.64Å; E294-H324 PolarHBondContact OE1-ND1 3.21Å; E294-I325 HydrophobicContact CB-CD1 3.55Å; E294-I325 HydrophobicContact CB-CG1 3.65Å; E294-I325 WeakPolarHBondContact OE2-CG1 3.41Å; E294-I325 PolarHBondContact OE2-N 3.3Å; E294-L456 HydrophobicContact CG-CD1 3.82Å; E294-L456 HydrophobicContact CG-CD2 4.15Å; E294-L456 HydrophobicContact CG-CG 4.19Å
295	I	98.8	Very high	97.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-41.7	175.5	-64.9	161.6	0	0	0	109.8	Y291 A292 C297 G298 L299 L312 I317 I325 L371 L374	Y291-I295 WeakPolarHBondContact O-CB 3.44Å; Y291-I295 WeakPolarHBondContact O-CD1 3.44Å; Y291-I295 WeakPolarHBondContact O-CG1 3.36Å; Y291-I295 PolarHBondContact O-N 2.87Å; A292-I295 PolarHBondContact O-N 3.46Å; I295-C297 VanDerWaalsContact C-N 3.34Å; I295-C297 PolarHBondContact O-N 3.18Å; I295-G298 PolarHBondContact O-N 3.44Å; I295-G298 VanDerWaalsContact O-N 3.14Å; I295-L299 HydrophobicContact CG2-CD1 4.33Å; I295-L299 HydrophobicContact CG2-CG 4.31Å; I295-L299 WeakPolarHBondContact O-CG 3.45Å; I295-L299 PolarHBondContact O-N 3.13Å; I295-L312 HydrophobicContact CG2-CD1 4.02Å; I295-L312 HydrophobicContact CG2-CD2 3.95Å; I295-I317 HydrophobicContact CD1-CD1 4.48Å; I295-I317 HydrophobicContact CD1-CG1 4.22Å; I295-I317 HydrophobicContact CD1-CG2 4.35Å; I295-I317 HydrophobicContact CG1-CD1 4.26Å; I295-I317 HydrophobicContact CG1-CG1 4.49Å; I295-I317 HydrophobicContact CG1-CG2 4.4Å; I295-I325 HydrophobicContact CG1-CD1 3.74Å; I295-I325 HydrophobicContact CG1-CG1 4.15Å; I295-L371 HydrophobicContact CB-CD1 4.09Å; I295-L371 HydrophobicContact CG2-CD1 3.83Å; I295-L374 HydrophobicContact CD1-CD1 3.82Å
296	C	98.7	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.5	-44.7	175.6	179.9	0	0	0	0	111.7	A292 A293 E294 L299 E300 L371	A292-C296 VanDerWaalsContact O-CB 3.3Å; A292-C296 WeakPolarHBondContact O-CB 3.33Å; A292-C296 PolarHBondContact O-N 3.34Å; A293-C296 WeakPolarHBondContact O-CB 3.34Å; A293-C296 PolarHBondContact O-N 2.95Å; E294-C296 VanDerWaalsContact C-N 3.32Å; E294-C296 PolarHBondContact O-N 3.21Å; C296-L299 PolarHBondContact O-N 3.49Å; C296-E300 WeakPolarHBondContact O-CB 3.18Å; C296-E300 PolarHBondContact O-N 2.97Å; C296-L371 HydrophobicContact CB-CD2 4.32Å
297	C	98.6	Very high	98	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.007	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-42	173.4	-72	0	0	0	0	112.5	F245 A293 E294 I295 L299 E300 D301	F245-C297 HydrophobicContact CD2-CB 3.37Å; F245-C297 HydrophobicContact CE2-CB 3.36Å; F245-C297 HydrophobicContact CG-CB 4.03Å; F245-C297 HydrophobicContact CZ-CB 4.01Å; A293-C297 PolarHBondContact O-N 3.23Å; A293-C297 VanDerWaalsContact O-N 3.1Å; E294-C297 PolarHBondContact O-N 3.47Å; I295-C297 VanDerWaalsContact C-N 3.34Å; I295-C297 PolarHBondContact O-N 3.18Å; C297-L299 PolarHBondContact O-N 2.64Å; C297-E300 PolarHBondContact O-N 3.01Å; C297-D301 PolarHBondContact O-N 3.02Å
298	G	98.4	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-40.9	176	0	0	0	0	0	113.4	E294 I295 D301 L302	E294-G298 PolarHBondContact O-N 2.87Å; I295-G298 PolarHBondContact O-N 3.44Å; I295-G298 VanDerWaalsContact O-N 3.14Å; G298-D301 PolarHBondContact O-N 3.18Å; G298-L302 WeakPolarHBondContact O-CG 3.18Å; G298-L302 PolarHBondContact O-N 2.83Å; G298-L302 VanDerWaalsContact O-N 3.14Å
299	L	98.7	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.5	-44	173.9	-69.1	-178.6	0	0	0	111.6	I295 C296 C297 D301 L302 H303 L312 I327 D367 W368 L371	I295-L299 HydrophobicContact CG2-CD1 4.33Å; I295-L299 HydrophobicContact CG2-CG 4.31Å; I295-L299 WeakPolarHBondContact O-CG 3.45Å; I295-L299 PolarHBondContact O-N 3.13Å; C296-L299 PolarHBondContact O-N 3.49Å; C297-L299 PolarHBondContact O-N 2.64Å; L299-D301 VanDerWaalsContact C-N 3.31Å; L299-D301 PolarHBondContact O-N 2.87Å; L299-L302 PolarHBondContact O-N 2.99Å; L299-H303 WeakPolarHBondContact O-CB 3.33Å; L299-H303 PolarHBondContact O-CD2 3.37Å; L299-H303 VanDerWaalsContact O-CD2 3.24Å; L299-H303 PolarHBondContact O-N 3.35Å; L299-L312 HydrophobicContact CD1-CD2 4.03Å; L299-L312 HydrophobicContact CD2-CD2 4.49Å; L299-I327 HydrophobicContact CD2-CD1 4.11Å; L299-I327 HydrophobicContact CG-CD1 4.4Å; L299-D367 HydrophobicContact CD1-CB 4.09Å; L299-D367 HydrophobicContact CD2-CB 3.82Å; L299-W368 HydrophobicContact CB-CH2 4.2Å; L299-W368 HydrophobicContact CB-CZ3 4.35Å; L299-W368 HydrophobicContact CD1-CE3 4.06Å; L299-W368 HydrophobicContact CD1-CZ3 3.95Å; L299-L371 HydrophobicContact CD1-CB 4.3Å
300	E	98.3	Very high	98.2	Very high	38 Å²	38	20.9 Å²	20.9	18%	0.178	9%	0.087	C	C	.	.	H	α-helix	trans	-57.9	-43.3	176.2	-173.5	-171.9	-135	0	0	111.9	C296 C297 H303 R304 A439 K443	C296-E300 WeakPolarHBondContact O-CB 3.18Å; C296-E300 PolarHBondContact O-N 2.97Å; C297-E300 PolarHBondContact O-N 3.01Å; E300-H303 PolarHBondContact O-N 3.15Å; E300-R304 WeakPolarHBondContact O-CB 3.32Å; E300-R304 PolarHBondContact O-N 2.96Å; E300-R304 IonicContact OE2-NH2 3.3Å; E300-A439 HydrophobicContact CB-CB 3.63Å; E300-A439 HydrophobicContact CG-CB 3.6Å; E300-K443 IonicContact OE1-NZ 2.83Å; E300-K443 PolarHBondContact OE1-NZ 3.1Å; E300-K443 VanDerWaalsContact OE1-NZ 3.11Å; E300-K443 IonicContact OE2-NZ 3.21Å; E300-K443 PolarHBondContact OE2-NZ 2.84Å
301	D	98	Very high	98.1	Very high	28 Å²	28	20.4 Å²	20.4	15%	0.15	9%	0.085	C	C	.	.	H	α-helix	trans	-63.8	-40.9	177.7	-74.1	-22.5	0	0	0	112.1	S243 C297 G298 L299 R304 E305	S243-D301 WeakPolarHBondContact CB-OD2 3.39Å; S243-D301 PolarHBondContact OG-OD2 2.92Å; C297-D301 PolarHBondContact O-N 3.02Å; G298-D301 PolarHBondContact O-N 3.18Å; L299-D301 VanDerWaalsContact C-N 3.31Å; L299-D301 PolarHBondContact O-N 2.87Å; D301-R304 IonicContact OD1-CZ 2.64Å; D301-R304 IonicContact OD1-NH1 3.24Å; D301-R304 PolarHBondContact OD1-NH1 3.17Å; D301-R304 IonicContact OD1-NH2 2.79Å; D301-R304 PolarHBondContact OD1-NH2 3.24Å; D301-E305 PolarHBondContact O-N 3.31Å
302	L	98.4	Very high	98.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.7	-46	174.3	-68.8	173.2	0	0	0	111.4	V241 V246 G298 L299 R304 E305 R306 I307 Y309 I327 L330	V241-L302 HydrophobicContact CG1-CD2 4.09Å; V241-L302 HydrophobicContact CG2-CD2 3.7Å; V246-L302 HydrophobicContact CG2-CD1 4.38Å; V246-L302 HydrophobicContact CG2-CD2 4.25Å; V246-L302 HydrophobicContact CG2-CG 4.15Å; G298-L302 WeakPolarHBondContact O-CG 3.18Å; G298-L302 PolarHBondContact O-N 2.83Å; G298-L302 VanDerWaalsContact O-N 3.14Å; L299-L302 PolarHBondContact O-N 2.99Å; L302-R304 VanDerWaalsContact C-N 3.31Å; L302-R304 PolarHBondContact O-N 3.22Å; L302-E305 CarbonylContact O-C 3.14Å; L302-E305 WeakPolarHBondContact O-CA 3.41Å; L302-E305 PolarHBondContact O-N 3.39Å; L302-E305 VanDerWaalsContact O-N 3.09Å; L302-R306 PolarHBondContact O-N 3.15Å; L302-I307 CarbonylContact C-O 3.57Å; L302-I307 HydrophobicContact CB-CB 4.36Å; L302-I307 HydrophobicContact CD2-CG2 4.32Å; L302-I307 WeakPolarHBondContact O-CB 3.18Å; L302-I307 PolarHBondContact O-N 2.83Å; L302-Y309 HydrophobicContact CD1-CG 4.37Å; L302-I327 HydrophobicContact CD1-CD1 4.35Å; L302-L330 HydrophobicContact CD2-CD2 4.12Å
303	H	97.8	Very high	98	Very high	21 Å²	21	21.9 Å²	21.9	10%	0.097	9%	0.092	C	C	.	.	H	α-helix	trans	-65.5	-34.5	-178.9	-64.7	176	0	0	0	111.9	L299 E300 E305 R306 I307 F364 D367 W368	L299-H303 WeakPolarHBondContact O-CB 3.33Å; L299-H303 PolarHBondContact O-CD2 3.37Å; L299-H303 VanDerWaalsContact O-CD2 3.24Å; L299-H303 PolarHBondContact O-N 3.35Å; E300-H303 PolarHBondContact O-N 3.15Å; H303-E305 PolarHBondContact O-N 3.16Å; H303-R306 VanDerWaalsContact O-CA 3.28Å; H303-R306 WeakPolarHBondContact O-CA 3.4Å; H303-R306 PolarHBondContact O-N 2.87Å; H303-I307 PolarHBondContact CD2-O 3.17Å; H303-F364 HydrophobicContact CB-CD1 4.32Å; H303-F364 HydrophobicContact CB-CE1 4.42Å; H303-F364 HydrophobicContact CB-CG 4.38Å; H303-F364 AromaticContact CD2-CD1 3.54Å; H303-F364 AromaticContact CD2-CG 3.94Å; H303-F364 AromaticContact CG-CD1 3.84Å; H303-F364 AromaticContact CG-CG 3.87Å; H303-F364 AromaticContact NE2-CD1 3.99Å; H303-D367 IonicContact CD2-OD2 3.11Å; H303-D367 IonicContact CE1-OD2 2.6Å; H303-D367 IonicContact NE2-OD2 2.9Å; H303-D367 PolarHBondContact NE2-OD2 3.29Å; H303-W368 AromaticContact CE1-CE2 3.83Å; H303-W368 AromaticContact CE1-CZ2 3.87Å; H303-W368 AromaticContact CE1-NE1 3.86Å; H303-W368 AromaticContact ND1-CE2 3.98Å; H303-W368 AromaticContact ND1-CZ2 3.7Å
304	R	96	Very high	97.9	Very high	153 Å²	153	21.9 Å²	21.9	58%	0.577	9%	0.092	S	C	*	.	H	α-helix	trans	-60.3	-35.3	172.9	-167.4	-175.1	-56.6	123.8	6.8	112	E300 D301 L302 R306	E300-R304 WeakPolarHBondContact O-CB 3.32Å; E300-R304 PolarHBondContact O-N 2.96Å; E300-R304 IonicContact OE2-NH2 3.3Å; D301-R304 IonicContact OD1-CZ 2.64Å; D301-R304 IonicContact OD1-NH1 3.24Å; D301-R304 PolarHBondContact OD1-NH1 3.17Å; D301-R304 IonicContact OD1-NH2 2.79Å; D301-R304 PolarHBondContact OD1-NH2 3.24Å; L302-R304 VanDerWaalsContact C-N 3.31Å; L302-R304 PolarHBondContact O-N 3.22Å; R304-R306 PolarHBondContact O-N 3.46Å
305	E	96.4	Very high	97.7	Very high	72 Å²	72	24.7 Å²	24.7	34%	0.336	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	7.3	172.9	-69.8	-61	149.6	0	0	113.6	K240 D301 L302 H303 I307	K240-E305 WeakPolarHBondContact CE-OE2 3.44Å; K240-E305 PolarHBondContact NZ-O 3.04Å; K240-E305 IonicContact NZ-OE2 2.67Å; K240-E305 PolarHBondContact NZ-OE2 2.73Å; D301-E305 PolarHBondContact O-N 3.31Å; L302-E305 CarbonylContact O-C 3.14Å; L302-E305 WeakPolarHBondContact O-CA 3.41Å; L302-E305 PolarHBondContact O-N 3.39Å; L302-E305 VanDerWaalsContact O-N 3.09Å; H303-E305 PolarHBondContact O-N 3.16Å; E305-I307 VanDerWaalsContact C-N 3.31Å; E305-I307 HydrophobicContact CB-CD1 3.93Å; E305-I307 HydrophobicContact CB-CG1 4.1Å
306	R	96.9	Very high	97.7	Very high	66 Å²	66	25.1 Å²	25.1	25%	0.249	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	32.1	-175	-66.2	-76.6	-56.2	159.1	-0.4	113.6	L302 H303 R304 Q335 I336 P337	L302-R306 PolarHBondContact O-N 3.15Å; H303-R306 VanDerWaalsContact O-CA 3.28Å; H303-R306 WeakPolarHBondContact O-CA 3.4Å; H303-R306 PolarHBondContact O-N 2.87Å; R304-R306 PolarHBondContact O-N 3.46Å; R306-Q335 HydrophobicContact CB-CG 4.5Å; R306-Q335 CarbonylContact O-C 3.44Å; R306-Q335 WeakPolarHBondContact O-CA 3.43Å; R306-I336 WeakPolarHBondContact CB-O 3.37Å; R306-I336 PolarHBondContact NE-O 2.95Å; R306-I336 PolarHBondContact O-N 3.43Å; R306-P337 PolarHBondContact NH2-O 2.76Å
307	I	98.4	Very high	97.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122	-177.9	-58.3	175.1	0	0	0	109.4	I237 V241 L302 H303 E305 A333 V334 Q335	I237-I307 HydrophobicContact CD1-CG2 4.25Å; I237-I307 HydrophobicContact CG1-CD1 4.36Å; I237-I307 HydrophobicContact CG2-CD1 3.91Å; I237-I307 HydrophobicContact CG2-CG2 4.25Å; V241-I307 HydrophobicContact CG2-CD1 3.82Å; L302-I307 CarbonylContact C-O 3.57Å; L302-I307 HydrophobicContact CB-CB 4.36Å; L302-I307 HydrophobicContact CD2-CG2 4.32Å; L302-I307 WeakPolarHBondContact O-CB 3.18Å; L302-I307 PolarHBondContact O-N 2.83Å; H303-I307 PolarHBondContact CD2-O 3.17Å; E305-I307 VanDerWaalsContact C-N 3.31Å; E305-I307 HydrophobicContact CB-CD1 3.93Å; E305-I307 HydrophobicContact CB-CG1 4.1Å; I307-A333 HydrophobicContact CG2-CB 3.99Å; I307-V334 WeakPolarHBondContact CA-O 3.44Å; I307-Q335 HydrophobicContact CG1-CB 4.17Å; I307-Q335 HydrophobicContact CG1-CG 4.16Å
308	V	98.5	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.7	168.6	62.9	0	0	0	0	109.4	R310 A333 V334 I336 I342 T363 F364 D367	V308-R310 HydrophobicContact CB-CG 4.25Å; V308-R310 HydrophobicContact CG1-CG 3.84Å; V308-R310 HydrophobicContact CG2-CG 3.59Å; V308-A333 CarbonylContact O-C 3.58Å; V308-A333 WeakPolarHBondContact O-CA 3.48Å; V308-V334 HydrophobicContact CG1-CB 4.47Å; V308-V334 PolarHBondContact N-O 3.12Å; V308-V334 PolarHBondContact O-N 3.24Å; V308-I336 HydrophobicContact CB-CD1 4.05Å; V308-I336 HydrophobicContact CG1-CD1 3.75Å; V308-I336 HydrophobicContact CG1-CG1 3.98Å; V308-I342 HydrophobicContact CG1-CD1 3.67Å; V308-T363 VanDerWaalsContact CG2-O 3.24Å; V308-T363 WeakPolarHBondContact CG2-O 3.16Å; V308-F364 HydrophobicContact CB-CD1 4.02Å; V308-F364 HydrophobicContact CB-CE1 4.48Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.31Å
309	Y	98.4	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.117	C	C	.	.			trans	-84.7	-46.6	-172	178	-127.9	0	0	0	113.7	L302 D311 L312 N316 I327 S328 D329 L330 A333 D367	L302-Y309 HydrophobicContact CD1-CG 4.37Å; Y309-D311 VanDerWaalsContact C-N 3.26Å; Y309-D311 VanDerWaalsContact CE1-C 3.41Å; Y309-D311 WeakPolarHBondContact CE1-O 3.34Å; Y309-D311 PolarHBondContact O-N 2.55Å; Y309-D311 VanDerWaalsContact O-N 3.16Å; Y309-D311 PolarHBondContact OH-O 2.79Å; Y309-L312 HydrophobicContact CD1-CB 3.95Å; Y309-L312 HydrophobicContact CD1-CD1 4.3Å; Y309-L312 HydrophobicContact CE1-CB 3.99Å; Y309-L312 HydrophobicContact CE1-CD1 4Å; Y309-N316 WeakPolarHBondContact OH-CB 2.99Å; Y309-N316 PolarHBondContact OH-ND2 2.8Å; Y309-N316 VanDerWaalsContact OH-ND2 3.08Å; Y309-I327 HydrophobicContact CD1-CG2 4.1Å; Y309-I327 HydrophobicContact CD2-CG2 4.12Å; Y309-I327 HydrophobicContact CE1-CG2 3.63Å; Y309-I327 HydrophobicContact CE2-CG2 3.68Å; Y309-I327 HydrophobicContact CG-CG2 4.34Å; Y309-I327 VanDerWaalsContact CZ-CG2 3.44Å; Y309-S328 PolarHBondContact OH-O 2.8Å; Y309-D329 WeakPolarHBondContact CE2-O 3.28Å; Y309-L330 HydrophobicContact CD2-CG 4.32Å; Y309-L330 HydrophobicContact CE2-CD1 4.5Å; Y309-L330 HydrophobicContact CE2-CG 4.19Å; Y309-A333 HydrophobicContact CD2-CB 4.36Å; Y309-A333 PolarHBondContact O-N 2.91Å; Y309-D367 WeakPolarHBondContact CB-OD1 3.45Å; Y309-D367 PolarHBondContact N-OD1 3.2Å; Y309-D367 PolarHBondContact N-OD2 2.94Å
310	R	97.9	Very high	97.4	Very high	39 Å²	39	28.4 Å²	28.4	15%	0.147	13%	0.125	C	C	.	.			trans	65.7	3	171.5	-50.2	-170.1	-63.9	178.4	-1.2	118.1	V308 L332 V346 Y362 D367	V308-R310 HydrophobicContact CB-CG 4.25Å; V308-R310 HydrophobicContact CG1-CG 3.84Å; V308-R310 HydrophobicContact CG2-CG 3.59Å; R310-L332 VanDerWaalsContact CZ-O 3.23Å; R310-L332 PolarHBondContact NE-O 2.6Å; R310-L332 PolarHBondContact NH2-O 2.87Å; R310-V346 HydrophobicContact CB-CG2 4.47Å; R310-Y362 WeakPolarHBondContact CD-OH 3.41Å; R310-Y362 HydrophobicContact CG-CE2 4.47Å; R310-Y362 PolarHBondContact NH1-OH 2.94Å; R310-Y362 VanDerWaalsContact NH1-OH 3.14Å; R310-D367 PolarHBondContact N-OD1 3.14Å
311	D	97.4	Very high	97.1	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.048	14%	0.136	C	C	.	.			trans	-138.8	41.8	177.9	-158.5	37.2	0	0	0	112.9	Y309 K313 N316 L332 T348	Y309-D311 VanDerWaalsContact C-N 3.26Å; Y309-D311 VanDerWaalsContact CE1-C 3.41Å; Y309-D311 WeakPolarHBondContact CE1-O 3.34Å; Y309-D311 PolarHBondContact O-N 2.55Å; Y309-D311 VanDerWaalsContact O-N 3.16Å; Y309-D311 PolarHBondContact OH-O 2.79Å; D311-K313 VanDerWaalsContact CG-NZ 3.32Å; D311-K313 PolarHBondContact O-N 2.96Å; D311-K313 IonicContact OD1-NZ 3.34Å; D311-K313 PolarHBondContact OD1-NZ 3.39Å; D311-K313 IonicContact OD2-NZ 4Å; D311-K313 PolarHBondContact OD2-NZ 3.31Å; D311-N316 PolarHBondContact O-ND2 2.72Å; D311-N316 PolarHBondContact OD2-ND2 3.48Å; D311-L332 HydrophobicContact CB-CB 4.34Å; D311-L332 HydrophobicContact CB-CD1 4.02Å; D311-T348 PolarHBondContact OD1-N 3.22Å; D311-T348 PolarHBondContact OD1-OG1 3.47Å
312	L	97.9	Very high	96.9	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	15%	0.151	C	C	.	.			trans	-72.1	113.4	176.7	-167.9	58.8	0	0	0	111.4	I295 L299 Y309 I317 Y351 L371 L374	I295-L312 HydrophobicContact CG2-CD1 4.02Å; I295-L312 HydrophobicContact CG2-CD2 3.95Å; L299-L312 HydrophobicContact CD1-CD2 4.03Å; L299-L312 HydrophobicContact CD2-CD2 4.49Å; Y309-L312 HydrophobicContact CD1-CB 3.95Å; Y309-L312 HydrophobicContact CD1-CD1 4.3Å; Y309-L312 HydrophobicContact CE1-CB 3.99Å; Y309-L312 HydrophobicContact CE1-CD1 4Å; L312-I317 HydrophobicContact CD1-CD1 3.65Å; L312-I317 HydrophobicContact CD1-CG1 4.2Å; L312-Y351 WeakPolarHBondContact O-CD1 3.35Å; L312-L371 HydrophobicContact CD2-CB 4.17Å; L312-L374 HydrophobicContact CD1-CD1 3.52Å; L312-L374 HydrophobicContact CD2-CD1 4.07Å; L312-L374 HydrophobicContact CG-CD1 3.49Å; L312-L374 VanDerWaalsContact CG-CD1 3.49Å; L312-L374 HydrophobicContact CG-CG 4.16Å
313	K	97.1	Very high	96.8	Very high	27 Å²	27	34.9 Å²	34.9	12%	0.117	15%	0.151	C	C	.	.	S	Bend	trans	-160.2	162	-178.2	67.3	-169.4	-176.4	-145.5	0	110.9	D311 E315 N316 T348 Y351	D311-K313 VanDerWaalsContact CG-NZ 3.32Å; D311-K313 PolarHBondContact O-N 2.96Å; D311-K313 IonicContact OD1-NZ 3.34Å; D311-K313 PolarHBondContact OD1-NZ 3.39Å; D311-K313 IonicContact OD2-NZ 4Å; D311-K313 PolarHBondContact OD2-NZ 3.31Å; K313-E315 VanDerWaalsContact C-N 3.26Å; K313-E315 HydrophobicContact CG-CB 4.32Å; K313-E315 WeakPolarHBondContact CG-OE2 3.37Å; K313-E315 PolarHBondContact O-N 3.41Å; K313-N316 WeakPolarHBondContact CE-ND2 3.31Å; K313-N316 WeakPolarHBondContact CE-OD1 3.29Å; K313-N316 HydrophobicContact CG-CB 4.26Å; K313-N316 PolarHBondContact O-N 3.07Å; K313-T348 HydrophobicContact CD-CG2 4.1Å; K313-T348 WeakPolarHBondContact CD-OG1 3.47Å; K313-T348 PolarHBondContact NZ-OG1 2.94Å; K313-Y351 HydrophobicContact CB-CD1 4.09Å; K313-Y351 HydrophobicContact CB-CD2 4.13Å; K313-Y351 HydrophobicContact CB-CE1 4.08Å; K313-Y351 HydrophobicContact CB-CE2 4.08Å; K313-Y351 HydrophobicContact CB-CG 4.12Å
314	P	97	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-61.3	-31.3	-172.8	-24.5	33.9	0	0	0	114.1	L271 K272 I275 N316 I317 Y351 L374 E377	L271-P314 HydrophobicContact CB-CB 4.07Å; L271-P314 WeakPolarHBondContact CB-O 3.37Å; L271-P314 PolarHBondContact N-O 2.81Å; L271-P314 VanDerWaalsContact N-O 3.15Å; K272-P314 HydrophobicContact CB-CB 3.89Å; K272-P314 PolarHBondContact N-O 3.03Å; I275-P314 HydrophobicContact CD1-CB 4Å; I275-P314 HydrophobicContact CD1-CG 4.08Å; P314-N316 PolarHBondContact O-N 3.49Å; P314-I317 PolarHBondContact O-N 3Å; P314-Y351 WeakPolarHBondContact CD-OH 3.44Å; P314-L374 HydrophobicContact CB-CD2 4.35Å; P314-L374 VanDerWaalsContact CD-CD2 3.46Å; P314-L374 HydrophobicContact CG-CD2 3.6Å; P314-E377 HydrophobicContact CG-CG 4.42Å; P314-E377 VanDerWaalsContact CG-OE2 3.24Å; P314-E377 WeakPolarHBondContact CG-OE2 3.42Å
315	E	94.9	Very high	96.9	Very high	60 Å²	60	26.9 Å²	26.9	28%	0.28	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-62.7	-26.7	176.9	-65.8	91.4	157	0	0	113.9	K272 K313	K272-E315 HydrophobicContact CB-CG 4.23Å; K272-E315 HydrophobicContact CD-CG 3.56Å; K272-E315 WeakPolarHBondContact CD-OE1 3.31Å; K272-E315 WeakPolarHBondContact CE-OE1 3.32Å; K272-E315 IonicContact NZ-OE1 3.48Å; K272-E315 PolarHBondContact NZ-OE1 3.14Å; K313-E315 VanDerWaalsContact C-N 3.26Å; K313-E315 HydrophobicContact CG-CB 4.32Å; K313-E315 WeakPolarHBondContact CG-OE2 3.37Å; K313-E315 PolarHBondContact O-N 3.41Å
316	N	97.4	Very high	97	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-98.6	-0.4	-173.1	-69.3	-4.4	0	0	0	113.1	Y309 D311 K313 P314 S328	Y309-N316 WeakPolarHBondContact OH-CB 2.99Å; Y309-N316 PolarHBondContact OH-ND2 2.8Å; Y309-N316 VanDerWaalsContact OH-ND2 3.08Å; D311-N316 PolarHBondContact O-ND2 2.72Å; D311-N316 PolarHBondContact OD2-ND2 3.48Å; K313-N316 WeakPolarHBondContact CE-ND2 3.31Å; K313-N316 WeakPolarHBondContact CE-OD1 3.29Å; K313-N316 HydrophobicContact CG-CB 4.26Å; K313-N316 PolarHBondContact O-N 3.07Å; P314-N316 PolarHBondContact O-N 3.49Å; N316-S328 PolarHBondContact O-N 3.22Å; N316-S328 PolarHBondContact O-OG 2.86Å
317	I	98.4	Very high	97.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.2	174.6	-55	-54.1	0	0	0	108.5	D270 L271 I295 L312 P314 I325 I327 L374	D270-I317 CarbonylContact C-O 3.55Å; D270-I317 VanDerWaalsContact CA-O 3.32Å; D270-I317 WeakPolarHBondContact CA-O 3.45Å; L271-I317 HydrophobicContact CB-CB 4.33Å; L271-I317 HydrophobicContact CD1-CB 3.59Å; L271-I317 HydrophobicContact CD1-CG1 4.18Å; L271-I317 HydrophobicContact CD1-CG2 3.43Å; L271-I317 VanDerWaalsContact CD1-CG2 3.43Å; L271-I317 HydrophobicContact CG-CB 3.8Å; L271-I317 HydrophobicContact CG-CG2 3.7Å; L271-I317 PolarHBondContact N-O 3.24Å; I295-I317 HydrophobicContact CD1-CD1 4.48Å; I295-I317 HydrophobicContact CD1-CG1 4.22Å; I295-I317 HydrophobicContact CD1-CG2 4.35Å; I295-I317 HydrophobicContact CG1-CD1 4.26Å; I295-I317 HydrophobicContact CG1-CG1 4.49Å; I295-I317 HydrophobicContact CG1-CG2 4.4Å; L312-I317 HydrophobicContact CD1-CD1 3.65Å; L312-I317 HydrophobicContact CD1-CG1 4.2Å; P314-I317 PolarHBondContact O-N 3Å; I317-I325 HydrophobicContact CG2-CB 3.6Å; I317-I325 HydrophobicContact CG2-CD1 4.22Å; I317-I325 HydrophobicContact CG2-CG1 3.93Å; I317-I325 HydrophobicContact CG2-CG2 3.9Å; I317-I327 HydrophobicContact CD1-CB 4.26Å; I317-I327 HydrophobicContact CD1-CG1 3.73Å; I317-L374 HydrophobicContact CG1-CD1 3.98Å
318	L	97.8	Very high	97	Very high	39 Å²	39	22.9 Å²	22.9	20%	0.204	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.9	-172.3	-50.4	179.8	0	0	0	111.1	M266 G269 D270 I325 R326 S328	M266-L318 HydrophobicContact CB-CB 3.42Å; M266-L318 VanDerWaalsContact CB-CB 3.42Å; M266-L318 HydrophobicContact CB-CD1 3.9Å; M266-L318 HydrophobicContact CB-CG 4.3Å; M266-L318 HydrophobicContact CE-CB 4.26Å; M266-L318 WeakPolarHBondContact CE-O 3.44Å; M266-L318 HydrophobicContact CG-CB 3.68Å; M266-L318 HydrophobicContact CG-CD1 3.89Å; M266-L318 HydrophobicContact CG-CG 4.44Å; G269-L318 CarbonylContact O-C 3.25Å; G269-L318 WeakPolarHBondContact O-CA 3.36Å; D270-L318 HydrophobicContact CB-CD2 3.61Å; L318-I325 CarbonylContact O-C 3.5Å; L318-I325 WeakPolarHBondContact O-CA 3.2Å; L318-R326 PolarHBondContact N-O 3.29Å; L318-R326 PolarHBondContact O-N 3.43Å; L318-S328 WeakPolarHBondContact CD1-OG 3.43Å; L318-S328 WeakPolarHBondContact CG-OG 3.12Å
319	L	97.3	Very high	96.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.9	177.9	-76	76.8	0	0	0	111.9	M266 N267 G268 G269 L271 Y291 H324 I325 F465 P467	M266-L319 CarbonylContact C-O 3.51Å; M266-L319 WeakPolarHBondContact CA-O 3.26Å; M266-L319 WeakPolarHBondContact CB-O 3.37Å; N267-L319 PolarHBondContact N-O 3.46Å; G268-L319 WeakPolarHBondContact CA-O 3.31Å; G268-L319 PolarHBondContact N-O 3.4Å; G269-L319 PolarHBondContact O-N 3.4Å; L271-L319 HydrophobicContact CD2-CD1 3.7Å; L271-L319 HydrophobicContact CG-CD1 4.26Å; Y291-L319 WeakPolarHBondContact OH-CD2 3.39Å; L319-H324 WeakPolarHBondContact CA-O 3.4Å; L319-I325 HydrophobicContact CD1-CG2 4.02Å; L319-I325 HydrophobicContact CG-CG2 3.99Å; L319-F465 HydrophobicContact CD2-CD1 4.06Å; L319-F465 HydrophobicContact CD2-CE1 4.2Å; L319-P467 HydrophobicContact CB-CG 4.49Å; L319-P467 HydrophobicContact CD2-CG 4.35Å
320	D	94.8	Very high	96.6	Very high	31 Å²	31	25.5 Å²	25.5	17%	0.166	12%	0.119	C	C	.	.			trans	-85.7	-179.3	168.4	75.6	8.8	0	0	0	112	M266 R322 G323 H324 P467	M266-D320 HydrophobicContact CE-CB 3.9Å; M266-D320 HydrophobicContact SD-CB 4.27Å; D320-R322 PolarHBondContact O-N 3.4Å; D320-R322 WeakPolarHBondContact OD1-CA 3.3Å; D320-R322 WeakPolarHBondContact OD1-CB 3.44Å; D320-R322 PolarHBondContact OD1-N 2.87Å; D320-G323 PolarHBondContact O-N 2.89Å; D320-G323 PolarHBondContact OD1-N 3.11Å; D320-H324 PolarHBondContact N-O 3.2Å; D320-H324 PolarHBondContact OD1-N 3.2Å; D320-P467 WeakPolarHBondContact O-CG 3.44Å
321	D	91.9	Very high	96.4	Very high	78 Å²	78	24.1 Å²	24.1	42%	0.417	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-18.2	-179.6	-65.4	-53.6	0	0	0	113.7	N267	N267-D321 WeakPolarHBondContact CB-OD1 3.31Å; N267-D321 VanDerWaalsContact ND2-CG 3.32Å; N267-D321 PolarHBondContact ND2-OD1 3.47Å; N267-D321 PolarHBondContact ND2-OD2 3.29Å
322	R	93.8	Very high	96.3	Very high	123 Å²	123	25.7 Å²	25.7	46%	0.464	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-9.9	178.1	-66.8	178.5	63.3	-151.5	-4.4	112.3	D320 P463	D320-R322 PolarHBondContact O-N 3.4Å; D320-R322 WeakPolarHBondContact OD1-CA 3.3Å; D320-R322 WeakPolarHBondContact OD1-CB 3.44Å; D320-R322 PolarHBondContact OD1-N 2.87Å; R322-P463 WeakPolarHBondContact O-CG 3.43Å
323	G	96.1	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	92.8	6.8	-179.4	0	0	0	0	0	115	Y291 D320 F465	Y291-G323 WeakPolarHBondContact CE1-O 3.49Å; D320-G323 PolarHBondContact O-N 2.89Å; D320-G323 PolarHBondContact OD1-N 3.11Å; G323-F465 WeakPolarHBondContact CA-O 3.36Å
324	H	97.9	Very high	96.2	Very high	5 Å²	5	26 Å²	26	2%	0.023	13%	0.129	C	C	.	.			trans	-77.5	147	171.9	-67.3	-78.1	0	0	0	110.5	E294 L319 D320 L461	E294-H324 IonicContact OE1-CE1 3.14Å; E294-H324 IonicContact OE1-CG 2.9Å; E294-H324 IonicContact OE1-ND1 3.64Å; E294-H324 PolarHBondContact OE1-ND1 3.21Å; L319-H324 WeakPolarHBondContact CA-O 3.4Å; D320-H324 PolarHBondContact N-O 3.2Å; D320-H324 PolarHBondContact OD1-N 3.2Å; H324-L461 PolarHBondContact CE1-O 3.47Å; H324-L461 VanDerWaalsContact CE1-O 3.31Å
325	I	98.2	Very high	96.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	158	178.1	68.8	65.8	0	0	0	113.2	Y291 E294 I295 I317 L318 L319	Y291-I325 HydrophobicContact CD1-CG1 4.49Å; Y291-I325 HydrophobicContact CD1-CG2 3.5Å; Y291-I325 VanDerWaalsContact CD1-CG2 3.5Å; Y291-I325 HydrophobicContact CE1-CG2 3.81Å; Y291-I325 HydrophobicContact CG-CG2 3.92Å; E294-I325 HydrophobicContact CB-CD1 3.55Å; E294-I325 HydrophobicContact CB-CG1 3.65Å; E294-I325 WeakPolarHBondContact OE2-CG1 3.41Å; E294-I325 PolarHBondContact OE2-N 3.3Å; I295-I325 HydrophobicContact CG1-CD1 3.74Å; I295-I325 HydrophobicContact CG1-CG1 4.15Å; I317-I325 HydrophobicContact CG2-CB 3.6Å; I317-I325 HydrophobicContact CG2-CD1 4.22Å; I317-I325 HydrophobicContact CG2-CG1 3.93Å; I317-I325 HydrophobicContact CG2-CG2 3.9Å; L318-I325 CarbonylContact O-C 3.5Å; L318-I325 WeakPolarHBondContact O-CA 3.2Å; L319-I325 HydrophobicContact CD1-CG2 4.02Å; L319-I325 HydrophobicContact CG-CG2 3.99Å
326	R	98.5	Very high	96.3	Very high	42 Å²	42	28 Å²	28	16%	0.158	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.7	162	-59.7	-178.2	178.1	-116.6	-4.8	111.4	S243 S244 F245 V246 V247 M266 L318	S243-R326 PolarHBondContact O-NH1 3.47Å; S244-R326 WeakPolarHBondContact O-CG 3.3Å; S244-R326 PolarHBondContact O-NE 2.96Å; S244-R326 VanDerWaalsContact O-NE 3.17Å; S244-R326 PolarHBondContact O-NH1 2.83Å; S244-R326 PolarHBondContact O-NH2 3.41Å; F245-R326 CarbonylContact O-C 3.54Å; F245-R326 VanDerWaalsContact O-CA 3.31Å; F245-R326 WeakPolarHBondContact O-CA 3.33Å; V246-R326 PolarHBondContact O-NH1 3.09Å; V247-R326 HydrophobicContact CG1-CB 4.05Å; M266-R326 HydrophobicContact CE-CB 3.7Å; M266-R326 HydrophobicContact CE-CG 3.57Å; M266-R326 HydrophobicContact SD-CB 4.33Å; M266-R326 HydrophobicContact SD-CG 4.16Å; L318-R326 PolarHBondContact N-O 3.29Å; L318-R326 PolarHBondContact O-N 3.43Å
327	I	98.6	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.1	167.5	-57.8	171.2	0	0	0	108.9	F245 V246 V247 L299 L302 Y309 I317	F245-I327 PolarHBondContact O-N 2.85Å; V246-I327 WeakPolarHBondContact CA-O 3.27Å; V246-I327 HydrophobicContact CG2-CB 4.42Å; V247-I327 PolarHBondContact N-O 3.29Å; L299-I327 HydrophobicContact CD2-CD1 4.11Å; L299-I327 HydrophobicContact CG-CD1 4.4Å; L302-I327 HydrophobicContact CD1-CD1 4.35Å; Y309-I327 HydrophobicContact CD1-CG2 4.1Å; Y309-I327 HydrophobicContact CD2-CG2 4.12Å; Y309-I327 HydrophobicContact CE1-CG2 3.63Å; Y309-I327 HydrophobicContact CE2-CG2 3.68Å; Y309-I327 HydrophobicContact CG-CG2 4.34Å; Y309-I327 VanDerWaalsContact CZ-CG2 3.44Å; I317-I327 HydrophobicContact CD1-CB 4.26Å; I317-I327 HydrophobicContact CD1-CG1 3.73Å
328	S	96.8	Very high	96	Very high	13 Å²	13	39.1 Å²	39.1	9%	0.091	20%	0.195	C	C	.	.			trans	-131.3	175.5	-179.8	72.4	0	0	0	0	112.3	Y309 N316 L318	Y309-S328 PolarHBondContact OH-O 2.8Å; N316-S328 PolarHBondContact O-N 3.22Å; N316-S328 PolarHBondContact O-OG 2.86Å; L318-S328 WeakPolarHBondContact CD1-OG 3.43Å; L318-S328 WeakPolarHBondContact CG-OG 3.12Å
329	D	94.1	Very high	95.7	Very high	56 Å²	56	41.2 Å²	41.2	30%	0.299	23%	0.226	S	C	.	.			trans	52.5	78.5	179.8	-159.1	12.3	0	0	0	114.6	K215 Y309 G331	K215-D329 IonicContact NZ-OD1 2.72Å; K215-D329 PolarHBondContact NZ-OD1 3.36Å; Y309-D329 WeakPolarHBondContact CE2-O 3.28Å; D329-G331 PolarHBondContact O-N 3.24Å
330	L	95.7	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.			trans	-89.9	21.1	-177.2	-73.5	74.5	0	0	0	112.2	E234 I237 L238 V246 L302 Y309 L332 A333	E234-L330 HydrophobicContact CG-CB 4.34Å; I237-L330 HydrophobicContact CG2-CB 4.29Å; I237-L330 HydrophobicContact CG2-CD2 3.4Å; I237-L330 HydrophobicContact CG2-CG 4.45Å; L238-L330 HydrophobicContact CD2-CD1 3.98Å; L238-L330 HydrophobicContact CD2-CD2 4.32Å; V246-L330 HydrophobicContact CG1-CD1 4.05Å; V246-L330 HydrophobicContact CG1-CD2 4.06Å; L302-L330 HydrophobicContact CD2-CD2 4.12Å; Y309-L330 HydrophobicContact CD2-CG 4.32Å; Y309-L330 HydrophobicContact CE2-CD1 4.5Å; Y309-L330 HydrophobicContact CE2-CG 4.19Å; L330-L332 PolarHBondContact O-N 2.7Å; L330-A333 HydrophobicContact CB-CB 4.05Å; L330-A333 HydrophobicContact CG-CB 4.46Å; L330-A333 WeakPolarHBondContact O-CB 3.14Å; L330-A333 PolarHBondContact O-N 2.89Å; L330-A333 VanDerWaalsContact O-N 3.09Å
331	G	92.3	Very high	95.8	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-29.6	-177.6	0	0	0	0	0	114.6	M230 D329	M230-G331 VanDerWaalsContact CG-O 3.32Å; M230-G331 WeakPolarHBondContact CG-O 3.48Å; D329-G331 PolarHBondContact O-N 3.24Å
332	L	95.3	Very high	96.1	Very high	41 Å²	41	46 Å²	46	22%	0.215	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-3.7	177.2	-61	-174.1	0	0	0	113.6	M230 R310 D311 L330	M230-L332 HydrophobicContact CE-CD2 4.2Å; R310-L332 VanDerWaalsContact CZ-O 3.23Å; R310-L332 PolarHBondContact NE-O 2.6Å; R310-L332 PolarHBondContact NH2-O 2.87Å; D311-L332 HydrophobicContact CB-CB 4.34Å; D311-L332 HydrophobicContact CB-CD1 4.02Å; L330-L332 PolarHBondContact O-N 2.7Å
333	A	97.6	Very high	96.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.			trans	-68.5	147.4	179.5	0	0	0	0	0	110.9	N233 I237 I307 V308 Y309 L330	N233-A333 PolarHBondContact ND2-O 3.49Å; I237-A333 HydrophobicContact CD1-CB 3.73Å; I237-A333 VanDerWaalsContact CD1-O 3.31Å; I237-A333 WeakPolarHBondContact CD1-O 3.44Å; I307-A333 HydrophobicContact CG2-CB 3.99Å; V308-A333 CarbonylContact O-C 3.58Å; V308-A333 WeakPolarHBondContact O-CA 3.48Å; Y309-A333 HydrophobicContact CD2-CB 4.36Å; Y309-A333 PolarHBondContact O-N 2.91Å; L330-A333 HydrophobicContact CB-CB 4.05Å; L330-A333 HydrophobicContact CG-CB 4.46Å; L330-A333 WeakPolarHBondContact O-CB 3.14Å; L330-A333 PolarHBondContact O-N 2.89Å; L330-A333 VanDerWaalsContact O-N 3.09Å
334	V	96.9	Very high	96.2	Very high	38 Å²	38	48.6 Å²	48.6	23%	0.23	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.8	178.3	162.6	0	0	0	0	109.8	I307 V308 I342	I307-V334 WeakPolarHBondContact CA-O 3.44Å; V308-V334 HydrophobicContact CG1-CB 4.47Å; V308-V334 PolarHBondContact N-O 3.12Å; V308-V334 PolarHBondContact O-N 3.24Å; V334-I342 HydrophobicContact CB-CD1 4.33Å; V334-I342 HydrophobicContact CG1-CD1 4.15Å; V334-I342 HydrophobicContact CG1-CG2 4.45Å
335	Q	96.9	Very high	96.1	Very high	100 Å²	100	53.5 Å²	53.5	47%	0.467	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.4	168.8	-166.8	178.1	6	0	0	109.8	R306 I307	R306-Q335 HydrophobicContact CB-CG 4.5Å; R306-Q335 CarbonylContact O-C 3.44Å; R306-Q335 WeakPolarHBondContact O-CA 3.43Å; I307-Q335 HydrophobicContact CG1-CB 4.17Å; I307-Q335 HydrophobicContact CG1-CG 4.16Å
336	I	96.7	Very high	96	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-95.9	122.4	179.2	-51	-176.1	0	0	0	108.6	R306 V308 E340 I342 T363 F364	R306-I336 WeakPolarHBondContact CB-O 3.37Å; R306-I336 PolarHBondContact NE-O 2.95Å; R306-I336 PolarHBondContact O-N 3.43Å; V308-I336 HydrophobicContact CB-CD1 4.05Å; V308-I336 HydrophobicContact CG1-CD1 3.75Å; V308-I336 HydrophobicContact CG1-CG1 3.98Å; I336-E340 VanDerWaalsContact CG2-O 3.25Å; I336-E340 WeakPolarHBondContact CG2-O 2.94Å; I336-I342 HydrophobicContact CD1-CD1 4.22Å; I336-I342 HydrophobicContact CD1-CG1 4.09Å; I336-I342 HydrophobicContact CG1-CD1 4.27Å; I336-I342 HydrophobicContact CG1-CG1 4.4Å; I336-I342 HydrophobicContact CG1-CG2 4.06Å; I336-I342 HydrophobicContact CG2-CG2 4.18Å; I336-T363 WeakPolarHBondContact CD1-O 2.99Å; I336-F364 HydrophobicContact CD1-CD1 4.47Å; I336-F364 HydrophobicContact CD1-CE1 4.18Å
337	P	95.3	Very high	95.8	Very high	61 Å²	61	55 Å²	55	40%	0.396	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-55.4	153.9	173.9	-23.5	34	0	0	0	112.2	R306 G339 E340	R306-P337 PolarHBondContact NH2-O 2.76Å; P337-G339 PolarHBondContact O-N 2.82Å; P337-E340 HydrophobicContact CB-CB 4.07Å; P337-E340 HydrophobicContact CB-CG 4.01Å; P337-E340 HydrophobicContact CG-CB 4.47Å; P337-E340 PolarHBondContact O-N 3.02Å
338	E	93	Very high	95.7	Very high	183 Å²	183	57 Å²	57	86%	0.855	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	136.3	179.3	-171.2	169.5	-170.7	0	0	110.8	E340	E338-E340 PolarHBondContact O-N 3.21Å; E338-E340 VanDerWaalsContact O-N 3.17Å
339	G	92.9	Very high	95.5	Very high	82 Å²	82	58.1 Å²	58.1	85%	0.845	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-5.1	-176.2	0	0	0	0	0	115.6	P337	P337-G339 PolarHBondContact O-N 2.82Å
340	E	96.9	Very high	95.5	Very high	110 Å²	110	55.5 Å²	55.5	51%	0.514	31%	0.307	S	S	.	.			trans	-100.3	165.3	-178.6	-67.1	-173.9	-149.7	0	0	113.5	I336 P337 E338	I336-E340 VanDerWaalsContact CG2-O 3.25Å; I336-E340 WeakPolarHBondContact CG2-O 2.94Å; P337-E340 HydrophobicContact CB-CB 4.07Å; P337-E340 HydrophobicContact CB-CG 4.01Å; P337-E340 HydrophobicContact CG-CB 4.47Å; P337-E340 PolarHBondContact O-N 3.02Å; E338-E340 PolarHBondContact O-N 3.21Å; E338-E340 VanDerWaalsContact O-N 3.17Å
341	T	97.3	Very high	95.6	Very high	73 Å²	73	56.9 Å²	56.9	45%	0.448	31%	0.312	S	S	.	.			trans	-125.3	157.4	172.4	61.5	0	0	0	0	109.5	T363	T341-T363 HydrophobicContact CG2-CG2 3.87Å
342	I	97.1	Very high	95.9	Very high	27 Å²	27	56.7 Å²	56.7	14%	0.138	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	158	175.7	63.7	169.7	0	0	0	111.2	V308 V334 I336 N361 Y362	V308-I342 HydrophobicContact CG1-CD1 3.67Å; V334-I342 HydrophobicContact CB-CD1 4.33Å; V334-I342 HydrophobicContact CG1-CD1 4.15Å; V334-I342 HydrophobicContact CG1-CG2 4.45Å; I336-I342 HydrophobicContact CD1-CD1 4.22Å; I336-I342 HydrophobicContact CD1-CG1 4.09Å; I336-I342 HydrophobicContact CG1-CD1 4.27Å; I336-I342 HydrophobicContact CG1-CG1 4.4Å; I336-I342 HydrophobicContact CG1-CG2 4.06Å; I336-I342 HydrophobicContact CG2-CG2 4.18Å; I342-N361 WeakPolarHBondContact O-CA 3.37Å; I342-Y362 HydrophobicContact CD1-CD2 4.43Å; I342-Y362 HydrophobicContact CD1-CE2 3.69Å; I342-Y362 HydrophobicContact CG1-CD2 4Å; I342-Y362 HydrophobicContact CG1-CE2 3.63Å; I342-Y362 PolarHBondContact N-O 3.24Å; I342-Y362 PolarHBondContact O-N 2.83Å
343	R	96.6	Very high	96	Very high	162 Å²	162	54.8 Å²	54.8	61%	0.611	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.2	174.2	-165.1	179.2	-177.6	-177.6	6.3	109.8	N359 N361	R343-N359 VanDerWaalsContact CZ-O 3.28Å; R343-N359 PolarHBondContact NE-ND2 2.99Å; R343-N359 PolarHBondContact NE-O 2.92Å; R343-N359 PolarHBondContact NH2-ND2 3.38Å; R343-N359 PolarHBondContact NH2-O 3Å; R343-N361 WeakPolarHBondContact CB-OD1 3.47Å
344	G	95.1	Very high	96	Very high	16 Å²	16	55 Å²	55	17%	0.165	30%	0.3	C	S	.	.			trans	167.2	129.6	171.6	0	0	0	0	0	113.2	V346 Y362	G344-V346 PolarHBondContact O-N 3.11Å; G344-Y362 PolarHBondContact O-OH 2.7Å
345	R	96.9	Very high	96.1	Very high	108 Å²	108	53.2 Å²	53.2	41%	0.408	29%	0.289	S	S	.	.			trans	-85.4	79.6	176.3	-173.2	172.8	175	-142.1	3.4	111	M352 V356 D398	R345-M352 HydrophobicContact CG-SD 4.32Å; R345-V356 WeakPolarHBondContact CG-O 3.46Å; R345-D398 IonicContact CZ-OD2 3.22Å; R345-D398 IonicContact NH2-OD2 3.37Å; R345-D398 PolarHBondContact NH2-OD2 3.09Å
346	V	95.5	Very high	96.2	Very high	50 Å²	50	48.7 Å²	48.7	30%	0.303	27%	0.268	S	S	.	.			trans	-124.5	155.5	176.5	-59.8	0	0	0	0	110.6	R310 G344	R310-V346 HydrophobicContact CB-CG2 4.47Å; G344-V346 PolarHBondContact O-N 3.11Å
347	G	95.3	Very high	96.2	Very high	23 Å²	23	49.1 Å²	49.1	24%	0.237	27%	0.27	C	S	.	.	S	Bend	trans	125.3	-179.2	-178.5	0	0	0	0	0	112.2
348	T	94.9	Very high	96.3	Very high	42 Å²	42	50.7 Å²	50.7	26%	0.258	27%	0.272	S	S	.	.			trans	-89.5	134.9	-177.9	-60.1	0	0	0	0	111.4	D311 K313 G350 Y351 M352	D311-T348 PolarHBondContact OD1-N 3.22Å; D311-T348 PolarHBondContact OD1-OG1 3.47Å; K313-T348 HydrophobicContact CD-CG2 4.1Å; K313-T348 WeakPolarHBondContact CD-OG1 3.47Å; K313-T348 PolarHBondContact NZ-OG1 2.94Å; T348-G350 PolarHBondContact O-N 3.36Å; T348-Y351 HydrophobicContact CG2-CD2 3.85Å; T348-Y351 HydrophobicContact CG2-CE2 4.27Å; T348-Y351 PolarHBondContact O-N 2.83Å; T348-M352 PolarHBondContact O-N 3.11Å
349	V	93.9	Very high	96.5	Very high	38 Å²	38	44.5 Å²	44.5	23%	0.23	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129	177.7	178.3	0	0	0	0	110.4	M352 R394 V397	V349-M352 HydrophobicContact CG2-CE 4.14Å; V349-R394 HydrophobicContact CG1-CG 4.14Å; V349-R394 HydrophobicContact CG2-CG 3.91Å; V349-V397 HydrophobicContact CG1-CB 4.01Å; V349-V397 HydrophobicContact CG1-CG1 3.92Å; V349-V397 HydrophobicContact CG1-CG2 4.48Å
350	G	93.8	Very high	96.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	-17	-174.4	0	0	0	0	0	114.7	T348	T348-G350 PolarHBondContact O-N 3.36Å
351	Y	97.1	Very high	96.8	Very high	28 Å²	28	44.7 Å²	44.7	11%	0.11	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-14.2	177.1	-59.2	-89.4	0	0	0	113.1	L312 K313 P314 T348 A353 W369 C373 E377	L312-Y351 WeakPolarHBondContact O-CD1 3.35Å; K313-Y351 HydrophobicContact CB-CD1 4.09Å; K313-Y351 HydrophobicContact CB-CD2 4.13Å; K313-Y351 HydrophobicContact CB-CE1 4.08Å; K313-Y351 HydrophobicContact CB-CE2 4.08Å; K313-Y351 HydrophobicContact CB-CG 4.12Å; P314-Y351 WeakPolarHBondContact CD-OH 3.44Å; T348-Y351 HydrophobicContact CG2-CD2 3.85Å; T348-Y351 HydrophobicContact CG2-CE2 4.27Å; T348-Y351 PolarHBondContact O-N 2.83Å; Y351-A353 PolarHBondContact O-N 3.35Å; Y351-W369 PolarHBondContact O-NE1 3.13Å; Y351-C373 HydrophobicContact CD1-CB 3.88Å; Y351-C373 HydrophobicContact CE1-CB 4.3Å; Y351-E377 VanDerWaalsContact CE1-OE2 3.27Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.5Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.29Å; Y351-E377 VanDerWaalsContact OH-CD 3.22Å; Y351-E377 PolarHBondContact OH-OE1 3.43Å; Y351-E377 VanDerWaalsContact OH-OE1 3.14Å; Y351-E377 PolarHBondContact OH-OE2 3.17Å
352	M	98.1	Very high	96.8	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.034	21%	0.207	C	C	.	.	S	Bend	trans	-65.9	130.1	172.6	-72.3	179.3	-68.4	0	0	110.4	R345 T348 V349 V356 I357	R345-M352 HydrophobicContact CG-SD 4.32Å; T348-M352 PolarHBondContact O-N 3.11Å; V349-M352 HydrophobicContact CG2-CE 4.14Å; M352-V356 HydrophobicContact CB-CB 4.38Å; M352-V356 HydrophobicContact CB-CG1 4.23Å; M352-V356 HydrophobicContact CG-CG1 4.16Å; M352-V356 HydrophobicContact SD-CG1 4.26Å; M352-I357 HydrophobicContact CB-CD1 4.34Å; M352-I357 HydrophobicContact CB-CG1 3.86Å
353	A	98.4	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.			trans	-66.4	157.3	176.1	0	0	0	0	0	112.4	Y351 E355 V356 I357 P366 W369	Y351-A353 PolarHBondContact O-N 3.35Å; A353-E355 VanDerWaalsContact C-N 3.31Å; A353-E355 WeakPolarHBondContact CB-OE2 3.35Å; A353-E355 PolarHBondContact O-N 2.97Å; A353-V356 HydrophobicContact CB-CG2 4.26Å; A353-V356 WeakPolarHBondContact O-CB 3.45Å; A353-V356 PolarHBondContact O-N 2.66Å; A353-I357 PolarHBondContact O-N 3.19Å; A353-I357 VanDerWaalsContact O-N 3.08Å; A353-P366 HydrophobicContact CB-CB 4.19Å; A353-W369 HydrophobicContact CB-CB 3.68Å; A353-W369 HydrophobicContact CB-CD2 4.04Å; A353-W369 HydrophobicContact CB-CG 3.52Å
354	P	98.4	Very high	96.9	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-51.4	-45.5	-179.7	-29.6	37.2	0	0	0	113.9	V356 I357 Q358 W369 V401 R402 K426	P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 3.17Å; P354-I357 PolarHBondContact O-N 3.29Å; P354-I357 VanDerWaalsContact O-N 3.14Å; P354-Q358 WeakPolarHBondContact O-CB 3.03Å; P354-Q358 WeakPolarHBondContact O-CG 3.21Å; P354-Q358 PolarHBondContact O-N 3.44Å; P354-W369 HydrophobicContact CG-CE3 4.39Å; P354-W369 HydrophobicContact CG-CH2 3.97Å; P354-W369 HydrophobicContact CG-CZ3 3.9Å; P354-V401 HydrophobicContact CG-CG1 4.09Å; P354-R402 HydrophobicContact CB-CG 4.49Å; P354-K426 HydrophobicContact CG-CB 4.26Å; P354-K426 HydrophobicContact CG-CD 4.1Å
355	E	98.4	Very high	97.1	Very high	2 Å²	2	36 Å²	36	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-29.6	180	68	-87.7	-158	0	0	112.5	A353 N359 E360 S365 R431	A353-E355 VanDerWaalsContact C-N 3.31Å; A353-E355 WeakPolarHBondContact CB-OE2 3.35Å; A353-E355 PolarHBondContact O-N 2.97Å; E355-N359 PolarHBondContact O-N 2.98Å; E355-N359 VanDerWaalsContact O-N 3.13Å; E355-E360 HydrophobicContact CB-CB 4.21Å; E355-E360 PolarHBondContact O-N 3.09Å; E355-S365 VanDerWaalsContact OE1-CB 3.28Å; E355-S365 WeakPolarHBondContact OE1-CB 3.28Å; E355-S365 PolarHBondContact OE1-OG 2.63Å; E355-R431 IonicContact OE1-CZ 3.24Å; E355-R431 IonicContact OE1-NH1 2.78Å; E355-R431 PolarHBondContact OE1-NH1 3.49Å; E355-R431 IonicContact OE1-NH2 2.89Å; E355-R431 IonicContact OE2-CZ 2.78Å; E355-R431 IonicContact OE2-NH1 3.64Å; E355-R431 PolarHBondContact OE2-NH1 2.9Å; E355-R431 IonicContact OE2-NH2 3.85Å; E355-R431 PolarHBondContact OE2-NH2 3.29Å
356	V	98.4	Very high	97.2	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-72.7	-41.2	174.7	179.5	0	0	0	0	110.4	R345 M352 A353 P354 N359 Y362 P366	R345-V356 WeakPolarHBondContact CG-O 3.46Å; M352-V356 HydrophobicContact CB-CB 4.38Å; M352-V356 HydrophobicContact CB-CG1 4.23Å; M352-V356 HydrophobicContact CG-CG1 4.16Å; M352-V356 HydrophobicContact SD-CG1 4.26Å; A353-V356 HydrophobicContact CB-CG2 4.26Å; A353-V356 WeakPolarHBondContact O-CB 3.45Å; A353-V356 PolarHBondContact O-N 2.66Å; P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 3.17Å; V356-N359 PolarHBondContact O-N 2.95Å; V356-N359 VanDerWaalsContact O-N 3.17Å; V356-Y362 HydrophobicContact CB-CE1 4.5Å; V356-Y362 HydrophobicContact CG2-CD1 4.07Å; V356-Y362 HydrophobicContact CG2-CE1 3.85Å; V356-P366 HydrophobicContact CG2-CB 3.8Å; V356-P366 HydrophobicContact CG2-CG 3.51Å
357	I	97.9	Very high	97.3	Very high	10 Å²	10	29 Å²	29	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-41.1	177.9	-64.6	175.6	0	0	0	110.8	M352 A353 P354 N359 D398 V401 R402	M352-I357 HydrophobicContact CB-CD1 4.34Å; M352-I357 HydrophobicContact CB-CG1 3.86Å; A353-I357 PolarHBondContact O-N 3.19Å; A353-I357 VanDerWaalsContact O-N 3.08Å; P354-I357 PolarHBondContact O-N 3.29Å; P354-I357 VanDerWaalsContact O-N 3.14Å; I357-N359 PolarHBondContact O-N 2.7Å; I357-D398 HydrophobicContact CD1-CB 4.25Å; I357-D398 HydrophobicContact CG2-CB 3.85Å; I357-V401 HydrophobicContact CD1-CB 3.8Å; I357-V401 HydrophobicContact CD1-CG1 3.51Å; I357-V401 HydrophobicContact CD1-CG2 4.27Å; I357-R402 VanDerWaalsContact CG2-NH1 3.28Å
358	Q	97.2	Very high	97.5	Very high	95 Å²	95	28 Å²	28	44%	0.444	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.3	175.6	-69.9	166.2	-19.2	0	0	112.8	P354 E360	P354-Q358 WeakPolarHBondContact O-CB 3.03Å; P354-Q358 WeakPolarHBondContact O-CG 3.21Å; P354-Q358 PolarHBondContact O-N 3.44Å; Q358-E360 VanDerWaalsContact C-N 3.3Å; Q358-E360 HydrophobicContact CB-CG 3.87Å; Q358-E360 PolarHBondContact O-N 3.24Å; Q358-E360 PolarHBondContact OE1-OE1 3.08Å
359	N	97.3	Very high	97.7	Very high	53 Å²	53	26 Å²	26	28%	0.283	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	44.3	-179.8	-166.5	46.8	0	0	0	111.6	R343 E355 V356 I357	R343-N359 VanDerWaalsContact CZ-O 3.28Å; R343-N359 PolarHBondContact NE-ND2 2.99Å; R343-N359 PolarHBondContact NE-O 2.92Å; R343-N359 PolarHBondContact NH2-ND2 3.38Å; R343-N359 PolarHBondContact NH2-O 3Å; E355-N359 PolarHBondContact O-N 2.98Å; E355-N359 VanDerWaalsContact O-N 3.13Å; V356-N359 PolarHBondContact O-N 2.95Å; V356-N359 VanDerWaalsContact O-N 3.17Å; I357-N359 PolarHBondContact O-N 2.7Å
360	E	97.9	Very high	97.9	Very high	94 Å²	94	24.3 Å²	24.3	44%	0.439	12%	0.124	S	C	.	.			trans	-85.9	172.3	172.8	-60.1	-174.6	166.7	0	0	110.9	E355 Q358 Y362	E355-E360 HydrophobicContact CB-CB 4.21Å; E355-E360 PolarHBondContact O-N 3.09Å; Q358-E360 VanDerWaalsContact C-N 3.3Å; Q358-E360 HydrophobicContact CB-CG 3.87Å; Q358-E360 PolarHBondContact O-N 3.24Å; Q358-E360 PolarHBondContact OE1-OE1 3.08Å; E360-Y362 WeakPolarHBondContact O-CD1 3.28Å
361	N	97.7	Very high	98.1	Very high	101 Å²	101	24.2 Å²	24.2	54%	0.54	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.4	173.1	-71.2	-18.5	0	0	0	109.8	I342 R343	I342-N361 WeakPolarHBondContact O-CA 3.37Å; R343-N361 WeakPolarHBondContact CB-OD1 3.47Å
362	Y	97.8	Very high	98.2	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.024	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	165.3	180	57.4	-97	0	0	0	111.8	R310 I342 G344 V356 E360 P366	R310-Y362 WeakPolarHBondContact CD-OH 3.41Å; R310-Y362 HydrophobicContact CG-CE2 4.47Å; R310-Y362 PolarHBondContact NH1-OH 2.94Å; R310-Y362 VanDerWaalsContact NH1-OH 3.14Å; I342-Y362 HydrophobicContact CD1-CD2 4.43Å; I342-Y362 HydrophobicContact CD1-CE2 3.69Å; I342-Y362 HydrophobicContact CG1-CD2 4Å; I342-Y362 HydrophobicContact CG1-CE2 3.63Å; I342-Y362 PolarHBondContact N-O 3.24Å; I342-Y362 PolarHBondContact O-N 2.83Å; G344-Y362 PolarHBondContact O-OH 2.7Å; V356-Y362 HydrophobicContact CB-CE1 4.5Å; V356-Y362 HydrophobicContact CG2-CD1 4.07Å; V356-Y362 HydrophobicContact CG2-CE1 3.85Å; E360-Y362 WeakPolarHBondContact O-CD1 3.28Å; Y362-P366 HydrophobicContact CD2-CG 3.51Å; Y362-P366 HydrophobicContact CE2-CG 3.91Å; Y362-P366 HydrophobicContact CG-CG 3.86Å
363	T	97.3	Very high	98.2	Very high	49 Å²	49	22.6 Å²	22.6	30%	0.301	12%	0.116	S	C	.	.	S	Bend	trans	-113.1	-97.2	169.7	56.4	0	0	0	0	110	V308 I336 T341	V308-T363 VanDerWaalsContact CG2-O 3.24Å; V308-T363 WeakPolarHBondContact CG2-O 3.16Å; I336-T363 WeakPolarHBondContact CD1-O 2.99Å; T341-T363 HydrophobicContact CG2-CG2 3.87Å
364	F	98.1	Very high	98.2	Very high	32 Å²	32	22.6 Å²	22.6	14%	0.14	12%	0.116	C	C	.	.	S	Bend	trans	-107	-7.4	-174.3	-53.2	-57.9	0	0	0	113.7	H303 V308 I336 P366 D367	H303-F364 HydrophobicContact CB-CD1 4.32Å; H303-F364 HydrophobicContact CB-CE1 4.42Å; H303-F364 HydrophobicContact CB-CG 4.38Å; H303-F364 AromaticContact CD2-CD1 3.54Å; H303-F364 AromaticContact CD2-CG 3.94Å; H303-F364 AromaticContact CG-CD1 3.84Å; H303-F364 AromaticContact CG-CG 3.87Å; H303-F364 AromaticContact NE2-CD1 3.99Å; V308-F364 HydrophobicContact CB-CD1 4.02Å; V308-F364 HydrophobicContact CB-CE1 4.48Å; I336-F364 HydrophobicContact CD1-CD1 4.47Å; I336-F364 HydrophobicContact CD1-CE1 4.18Å; F364-P366 VanDerWaalsContact C-N 3.27Å; F364-P366 VanDerWaalsContact O-N 3.15Å; F364-D367 PolarHBondContact O-N 2.94Å
365	S	98.4	Very high	98.2	Very high	10 Å²	10	22.4 Å²	22.4	7%	0.07	12%	0.115	C	C	.	.	H	α-helix	trans	-53.2	-31.7	-178	61.8	0	0	0	0	115.3	E355 D367 W368 W369 R431 C434	E355-S365 VanDerWaalsContact OE1-CB 3.28Å; E355-S365 WeakPolarHBondContact OE1-CB 3.28Å; E355-S365 PolarHBondContact OE1-OG 2.63Å; S365-D367 VanDerWaalsContact C-N 3.28Å; S365-D367 PolarHBondContact O-N 3Å; S365-W368 PolarHBondContact O-N 3.21Å; S365-W369 PolarHBondContact O-N 2.94Å; S365-R431 PolarHBondContact O-NH1 2.9Å; S365-C434 VanDerWaalsContact CA-SG 3.59Å; S365-C434 VanDerWaalsContact CB-SG 3.54Å
366	P	98.7	Very high	98.3	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.058	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-26.7	177.2	-22.8	36.7	0	0	0	114.1	A353 V356 Y362 F364 G370	A353-P366 HydrophobicContact CB-CB 4.19Å; V356-P366 HydrophobicContact CG2-CB 3.8Å; V356-P366 HydrophobicContact CG2-CG 3.51Å; Y362-P366 HydrophobicContact CD2-CG 3.51Å; Y362-P366 HydrophobicContact CE2-CG 3.91Å; Y362-P366 HydrophobicContact CG-CG 3.86Å; F364-P366 VanDerWaalsContact C-N 3.27Å; F364-P366 VanDerWaalsContact O-N 3.15Å; P366-G370 PolarHBondContact O-N 3.06Å
367	D	98.8	Very high	98.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-74.3	-38.7	-179.1	-69	-16.4	0	0	0	111.2	L299 H303 V308 Y309 R310 F364 S365 G370 L371	L299-D367 HydrophobicContact CD1-CB 4.09Å; L299-D367 HydrophobicContact CD2-CB 3.82Å; H303-D367 IonicContact CD2-OD2 3.11Å; H303-D367 IonicContact CE1-OD2 2.6Å; H303-D367 IonicContact NE2-OD2 2.9Å; H303-D367 PolarHBondContact NE2-OD2 3.29Å; V308-D367 WeakPolarHBondContact CG2-OD2 3.31Å; Y309-D367 WeakPolarHBondContact CB-OD1 3.45Å; Y309-D367 PolarHBondContact N-OD1 3.2Å; Y309-D367 PolarHBondContact N-OD2 2.94Å; R310-D367 PolarHBondContact N-OD1 3.14Å; F364-D367 PolarHBondContact O-N 2.94Å; S365-D367 VanDerWaalsContact C-N 3.28Å; S365-D367 PolarHBondContact O-N 3Å; D367-G370 PolarHBondContact O-N 2.74Å; D367-L371 PolarHBondContact O-N 3.28Å
368	W	98.8	Very high	98.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-66.8	-37.3	174.7	-62.4	124.9	0	0	0	112.5	L299 H303 S365 L371 G372 L423 L432 G433 A439 V442	L299-W368 HydrophobicContact CB-CH2 4.2Å; L299-W368 HydrophobicContact CB-CZ3 4.35Å; L299-W368 HydrophobicContact CD1-CE3 4.06Å; L299-W368 HydrophobicContact CD1-CZ3 3.95Å; H303-W368 AromaticContact CE1-CE2 3.83Å; H303-W368 AromaticContact CE1-CZ2 3.87Å; H303-W368 AromaticContact CE1-NE1 3.86Å; H303-W368 AromaticContact ND1-CE2 3.98Å; H303-W368 AromaticContact ND1-CZ2 3.7Å; S365-W368 PolarHBondContact O-N 3.21Å; W368-L371 HydrophobicContact CE3-CD2 3.86Å; W368-L371 HydrophobicContact CZ3-CD2 3.88Å; W368-L371 WeakPolarHBondContact O-CB 3.49Å; W368-L371 PolarHBondContact O-N 3.25Å; W368-G372 PolarHBondContact O-N 3.29Å; W368-G372 VanDerWaalsContact O-N 3.09Å; W368-L423 HydrophobicContact CB-CD2 4.15Å; W368-L432 WeakPolarHBondContact CB-O 3.42Å; W368-G433 PolarHBondContact NE1-O 2.97Å; W368-A439 HydrophobicContact CH2-CB 3.72Å; W368-A439 HydrophobicContact CZ2-CB 4.05Å; W368-V442 HydrophobicContact CD2-CG2 4.32Å; W368-V442 HydrophobicContact CE3-CG2 3.91Å; W368-V442 HydrophobicContact CH2-CG2 4.26Å; W368-V442 HydrophobicContact CZ3-CB 4.41Å; W368-V442 HydrophobicContact CZ3-CG1 4.37Å; W368-V442 HydrophobicContact CZ3-CG2 3.89Å
369	W	98.8	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.7	-48	168.7	172.5	-86.7	0	0	0	111.6	Y351 A353 P354 S365 L371 G372 C373 F385 V401 L424 K426	Y351-W369 PolarHBondContact O-NE1 3.13Å; A353-W369 HydrophobicContact CB-CB 3.68Å; A353-W369 HydrophobicContact CB-CD2 4.04Å; A353-W369 HydrophobicContact CB-CG 3.52Å; P354-W369 HydrophobicContact CG-CE3 4.39Å; P354-W369 HydrophobicContact CG-CH2 3.97Å; P354-W369 HydrophobicContact CG-CZ3 3.9Å; S365-W369 PolarHBondContact O-N 2.94Å; W369-L371 VanDerWaalsContact C-N 3.26Å; W369-L371 PolarHBondContact O-N 3.04Å; W369-G372 WeakPolarHBondContact O-CA 3.43Å; W369-G372 PolarHBondContact O-N 2.64Å; W369-C373 PolarHBondContact NE1-SG 3.48Å; W369-C373 VanDerWaalsContact NE1-SG 3.36Å; W369-C373 PolarHBondContact O-N 3.06Å; W369-F385 AromaticContact CH2-CE2 3.87Å; W369-F385 HydrophobicContact CH2-CE2 3.87Å; W369-F385 AromaticContact CH2-CZ 3.91Å; W369-F385 HydrophobicContact CH2-CZ 3.91Å; W369-F385 HydrophobicContact CZ2-CD2 4.27Å; W369-F385 AromaticContact CZ2-CE2 3.42Å; W369-F385 HydrophobicContact CZ2-CE2 3.42Å; W369-F385 VanDerWaalsContact CZ2-CE2 3.42Å; W369-F385 AromaticContact CZ2-CZ 3.95Å; W369-F385 HydrophobicContact CZ2-CZ 3.95Å; W369-V401 HydrophobicContact CH2-CG1 4.19Å; W369-V401 HydrophobicContact CZ2-CG1 3.69Å; W369-L424 HydrophobicContact CD2-CD2 3.95Å; W369-L424 HydrophobicContact CE3-CD2 3.99Å; W369-L424 HydrophobicContact CH2-CD2 4.1Å; W369-L424 HydrophobicContact CZ2-CD2 4.03Å; W369-L424 HydrophobicContact CZ3-CB 4.16Å; W369-L424 HydrophobicContact CZ3-CD2 4.09Å; W369-L424 WeakPolarHBondContact CZ3-O 3.17Å; W369-K426 HydrophobicContact CH2-CD 3.83Å; W369-K426 HydrophobicContact CZ3-CD 3.88Å
370	G	98.6	Very high	98.2	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-58.3	-36.9	176.7	0	0	0	0	0	113	P366 D367 C373 L374	P366-G370 PolarHBondContact O-N 3.06Å; D367-G370 PolarHBondContact O-N 2.74Å; G370-C373 PolarHBondContact O-N 3.3Å; G370-L374 PolarHBondContact O-N 2.79Å
371	L	98.8	Very high	98.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64	-43.1	174.5	179.6	61.5	0	0	0	110.9	A292 I295 C296 L299 L312 D367 W368 W369 C373 L374 I375 L423 V442	A292-L371 HydrophobicContact CB-CD1 4.33Å; I295-L371 HydrophobicContact CB-CD1 4.09Å; I295-L371 HydrophobicContact CG2-CD1 3.83Å; C296-L371 HydrophobicContact CB-CD2 4.32Å; L299-L371 HydrophobicContact CD1-CB 4.3Å; L312-L371 HydrophobicContact CD2-CB 4.17Å; D367-L371 PolarHBondContact O-N 3.28Å; W368-L371 HydrophobicContact CE3-CD2 3.86Å; W368-L371 HydrophobicContact CZ3-CD2 3.88Å; W368-L371 WeakPolarHBondContact O-CB 3.49Å; W368-L371 PolarHBondContact O-N 3.25Å; W369-L371 VanDerWaalsContact C-N 3.26Å; W369-L371 PolarHBondContact O-N 3.04Å; L371-C373 PolarHBondContact O-N 3.21Å; L371-L374 PolarHBondContact O-N 3.41Å; L371-I375 HydrophobicContact CD1-CD1 4.24Å; L371-I375 HydrophobicContact CD1-CG1 4.29Å; L371-I375 HydrophobicContact CG-CD1 4.04Å; L371-I375 WeakPolarHBondContact O-CG1 3.46Å; L371-I375 PolarHBondContact O-N 2.6Å; L371-L423 HydrophobicContact CB-CD1 4.47Å; L371-L423 HydrophobicContact CD2-CD1 4.19Å; L371-L423 HydrophobicContact CG-CD1 4.05Å; L371-V442 HydrophobicContact CD2-CG1 4.23Å
372	G	98.7	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.5	-45	173.5	0	0	0	0	0	112.6	W368 W369 L374 I375 F376	W368-G372 PolarHBondContact O-N 3.29Å; W368-G372 VanDerWaalsContact O-N 3.09Å; W369-G372 WeakPolarHBondContact O-CA 3.43Å; W369-G372 PolarHBondContact O-N 2.64Å; G372-L374 VanDerWaalsContact C-N 3.33Å; G372-L374 PolarHBondContact O-N 3.44Å; G372-I375 PolarHBondContact O-N 3.11Å; G372-F376 WeakPolarHBondContact O-CB 3.39Å; G372-F376 PolarHBondContact O-N 3.2Å; G372-F376 VanDerWaalsContact O-N 3.08Å
373	C	98.6	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.8	-42.2	174.7	-68	0	0	0	0	112.1	Y351 W369 G370 L371 E377 P384	Y351-C373 HydrophobicContact CD1-CB 3.88Å; Y351-C373 HydrophobicContact CE1-CB 4.3Å; W369-C373 PolarHBondContact NE1-SG 3.48Å; W369-C373 VanDerWaalsContact NE1-SG 3.36Å; W369-C373 PolarHBondContact O-N 3.06Å; G370-C373 PolarHBondContact O-N 3.3Å; L371-C373 PolarHBondContact O-N 3.21Å; C373-E377 VanDerWaalsContact O-CB 3.29Å; C373-E377 WeakPolarHBondContact O-CB 3.28Å; C373-E377 PolarHBondContact O-N 3.05Å; C373-P384 HydrophobicContact CB-CG 4.41Å
374	L	98.4	Very high	97.8	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-68.3	-44.5	179.5	-78.7	-171.1	0	0	0	113.1	I295 L312 P314 I317 G370 L371 G372 F376 E377 M378	I295-L374 HydrophobicContact CD1-CD1 3.82Å; L312-L374 HydrophobicContact CD1-CD1 3.52Å; L312-L374 HydrophobicContact CD2-CD1 4.07Å; L312-L374 HydrophobicContact CG-CD1 3.49Å; L312-L374 VanDerWaalsContact CG-CD1 3.49Å; L312-L374 HydrophobicContact CG-CG 4.16Å; P314-L374 HydrophobicContact CB-CD2 4.35Å; P314-L374 VanDerWaalsContact CD-CD2 3.46Å; P314-L374 HydrophobicContact CG-CD2 3.6Å; I317-L374 HydrophobicContact CG1-CD1 3.98Å; G370-L374 PolarHBondContact O-N 2.79Å; L371-L374 PolarHBondContact O-N 3.41Å; G372-L374 VanDerWaalsContact C-N 3.33Å; G372-L374 PolarHBondContact O-N 3.44Å; L374-F376 VanDerWaalsContact C-N 3.3Å; L374-F376 PolarHBondContact O-N 2.9Å; L374-E377 PolarHBondContact O-N 3.17Å; L374-M378 WeakPolarHBondContact O-CB 3.5Å; L374-M378 VanDerWaalsContact O-CG 3.24Å; L374-M378 WeakPolarHBondContact O-CG 3.32Å; L374-M378 PolarHBondContact O-N 3.19Å
375	I	98.6	Very high	97.7	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.9	-47.3	177	-65.2	168	0	0	0	109.5	A292 L371 G372 E377 M378 I379 I419 C420 L423	A292-I375 HydrophobicContact CB-CD1 3.93Å; A292-I375 HydrophobicContact CB-CG1 3.65Å; L371-I375 HydrophobicContact CD1-CD1 4.24Å; L371-I375 HydrophobicContact CD1-CG1 4.29Å; L371-I375 HydrophobicContact CG-CD1 4.04Å; L371-I375 WeakPolarHBondContact O-CG1 3.46Å; L371-I375 PolarHBondContact O-N 2.6Å; G372-I375 PolarHBondContact O-N 3.11Å; I375-E377 PolarHBondContact O-N 3.43Å; I375-M378 HydrophobicContact CG1-CE 4.46Å; I375-M378 PolarHBondContact O-N 3.27Å; I375-I379 HydrophobicContact CG2-CD1 3.96Å; I375-I379 WeakPolarHBondContact O-CG1 3.22Å; I375-I379 PolarHBondContact O-N 3Å; I375-I379 VanDerWaalsContact O-N 3.13Å; I375-I419 HydrophobicContact CD1-CD1 4.31Å; I375-C420 VanDerWaalsContact CG2-SG 3.52Å; I375-L423 HydrophobicContact CD1-CD1 3.73Å
376	F	98.6	Very high	97.3	Very high	3 Å²	3	13 Å²	13	1%	0.013	6%	0.062	C	C	.	.	H	α-helix	trans	-57.3	-50.9	177	-176.6	-78.4	0	0	0	111.4	G372 L374 M378 I379 Q380 Q382 P384 E406 E407 Y408 F412	G372-F376 WeakPolarHBondContact O-CB 3.39Å; G372-F376 PolarHBondContact O-N 3.2Å; G372-F376 VanDerWaalsContact O-N 3.08Å; L374-F376 VanDerWaalsContact C-N 3.3Å; L374-F376 PolarHBondContact O-N 2.9Å; F376-M378 PolarHBondContact O-N 2.67Å; F376-I379 PolarHBondContact O-N 3.37Å; F376-Q380 HydrophobicContact CD1-CB 4.02Å; F376-Q380 HydrophobicContact CE1-CB 3.7Å; F376-Q380 HydrophobicContact CE1-CG 3.78Å; F376-Q380 HydrophobicContact CZ-CB 4.19Å; F376-Q380 HydrophobicContact CZ-CG 4.05Å; F376-Q380 WeakPolarHBondContact O-CB 3.23Å; F376-Q380 PolarHBondContact O-N 3.13Å; F376-Q382 WeakPolarHBondContact CD1-O 3.4Å; F376-Q382 WeakPolarHBondContact CE1-O 3.24Å; F376-P384 HydrophobicContact CD1-CB 3.73Å; F376-P384 HydrophobicContact CD1-CG 4.16Å; F376-P384 HydrophobicContact CD2-CB 4.3Å; F376-P384 VanDerWaalsContact CE1-CA 3.47Å; F376-P384 HydrophobicContact CE1-CB 3.88Å; F376-P384 HydrophobicContact CE2-CB 4.42Å; F376-P384 HydrophobicContact CG-CB 3.97Å; F376-P384 HydrophobicContact CG-CG 4.39Å; F376-P384 HydrophobicContact CZ-CB 4.22Å; F376-E406 HydrophobicContact CD2-CB 4.49Å; F376-E406 HydrophobicContact CD2-CG 4.37Å; F376-E406 HydrophobicContact CE2-CB 4.08Å; F376-E406 HydrophobicContact CE2-CG 4.25Å; F376-E407 WeakPolarHBondContact CE2-O 3.21Å; F376-E407 VanDerWaalsContact CZ-O 3.27Å; F376-E407 WeakPolarHBondContact CZ-O 3.24Å; F376-Y408 HydrophobicContact CD2-CD1 4.12Å; F376-Y408 AromaticContact CD2-CE1 3.78Å; F376-Y408 HydrophobicContact CD2-CE1 3.78Å; F376-Y408 AromaticContact CE2-CD1 3.99Å; F376-Y408 HydrophobicContact CE2-CD1 3.99Å; F376-Y408 HydrophobicContact CE2-CE1 4.02Å; F376-F412 HydrophobicContact CD2-CE1 4.32Å; F376-F412 AromaticContact CD2-CZ 3.87Å; F376-F412 HydrophobicContact CD2-CZ 3.87Å; F376-F412 HydrophobicContact CE2-CZ 4.2Å; F376-F412 HydrophobicContact CG-CZ 4.18Å
377	E	97.9	Very high	96.7	Very high	3 Å²	3	19 Å²	19	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-36	-175.3	-175.2	171.7	-171.1	0	0	112.8	I275 Y276 P314 Y351 C373 L374 I375 G381 Q382	I275-E377 HydrophobicContact CD1-CG 4.3Å; Y276-E377 WeakPolarHBondContact CE2-OE1 3.39Å; Y276-E377 VanDerWaalsContact CZ-OE1 3.32Å; Y276-E377 PolarHBondContact OH-OE1 3.19Å; P314-E377 HydrophobicContact CG-CG 4.42Å; P314-E377 VanDerWaalsContact CG-OE2 3.24Å; P314-E377 WeakPolarHBondContact CG-OE2 3.42Å; Y351-E377 VanDerWaalsContact CE1-OE2 3.27Å; Y351-E377 WeakPolarHBondContact CE1-OE2 3.5Å; Y351-E377 VanDerWaalsContact CZ-OE2 3.29Å; Y351-E377 VanDerWaalsContact OH-CD 3.22Å; Y351-E377 PolarHBondContact OH-OE1 3.43Å; Y351-E377 VanDerWaalsContact OH-OE1 3.14Å; Y351-E377 PolarHBondContact OH-OE2 3.17Å; C373-E377 VanDerWaalsContact O-CB 3.29Å; C373-E377 WeakPolarHBondContact O-CB 3.28Å; C373-E377 PolarHBondContact O-N 3.05Å; L374-E377 PolarHBondContact O-N 3.17Å; I375-E377 PolarHBondContact O-N 3.43Å; E377-G381 VanDerWaalsContact O-CA 3.26Å; E377-G381 WeakPolarHBondContact O-CA 3.33Å; E377-G381 PolarHBondContact O-N 3.39Å; E377-Q382 WeakPolarHBondContact CA-O 3.46Å
378	M	98.2	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-43.9	174	-75.9	-171.1	-63.6	0	0	111.5	L271 I275 G282 F283 A288 Y291 A292 L374 I375 F376	L271-M378 HydrophobicContact CD1-SD 3.96Å; I275-M378 HydrophobicContact CD1-CG 3.89Å; I275-M378 HydrophobicContact CG1-CG 4.4Å; G282-M378 CarbonylContact C-O 3.55Å; G282-M378 WeakPolarHBondContact CA-O 3.28Å; F283-M378 HydrophobicContact CD2-CB 3.78Å; F283-M378 HydrophobicContact CD2-CG 3.84Å; F283-M378 HydrophobicContact CD2-SD 4.07Å; F283-M378 HydrophobicContact CE2-CB 4.14Å; F283-M378 HydrophobicContact CE2-CG 3.69Å; F283-M378 HydrophobicContact CE2-SD 3.88Å; F283-M378 PolarHBondContact N-O 3.4Å; A288-M378 HydrophobicContact CB-CB 3.76Å; A288-M378 HydrophobicContact CB-CE 4.32Å; A288-M378 VanDerWaalsContact O-CE 3.31Å; A288-M378 WeakPolarHBondContact O-CE 3.31Å; Y291-M378 HydrophobicContact CD2-SD 4.13Å; A292-M378 HydrophobicContact CB-CE 4.34Å; L374-M378 WeakPolarHBondContact O-CB 3.5Å; L374-M378 VanDerWaalsContact O-CG 3.24Å; L374-M378 WeakPolarHBondContact O-CG 3.32Å; L374-M378 PolarHBondContact O-N 3.19Å; I375-M378 HydrophobicContact CG1-CE 4.46Å; I375-M378 PolarHBondContact O-N 3.27Å; F376-M378 PolarHBondContact O-N 2.67Å
379	I	97.8	Very high	95.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-78.9	-52	-178.6	-62.5	170.8	0	0	0	111	E285 A288 I375 F376 G381 K411 F412 A416	E285-I379 HydrophobicContact CG-CD1 4.28Å; A288-I379 HydrophobicContact CB-CD1 4.43Å; A288-I379 HydrophobicContact CB-CG1 3.71Å; I375-I379 HydrophobicContact CG2-CD1 3.96Å; I375-I379 WeakPolarHBondContact O-CG1 3.22Å; I375-I379 PolarHBondContact O-N 3Å; I375-I379 VanDerWaalsContact O-N 3.13Å; F376-I379 PolarHBondContact O-N 3.37Å; I379-G381 VanDerWaalsContact C-N 3.34Å; I379-G381 PolarHBondContact O-N 3.24Å; I379-K411 HydrophobicContact CG2-CB 3.9Å; I379-K411 VanDerWaalsContact O-CD 3.24Å; I379-K411 WeakPolarHBondContact O-CD 3.46Å; I379-F412 HydrophobicContact CB-CD1 4.33Å; I379-F412 HydrophobicContact CB-CE1 3.82Å; I379-F412 HydrophobicContact CB-CE2 4.12Å; I379-F412 HydrophobicContact CB-CZ 3.7Å; I379-F412 HydrophobicContact CD1-CD1 3.93Å; I379-F412 HydrophobicContact CD1-CE1 3.83Å; I379-F412 HydrophobicContact CG1-CE1 4.4Å; I379-F412 HydrophobicContact CG2-CD1 3.96Å; I379-F412 HydrophobicContact CG2-CD2 3.77Å; I379-F412 HydrophobicContact CG2-CE1 3.89Å; I379-F412 HydrophobicContact CG2-CE2 3.66Å; I379-F412 HydrophobicContact CG2-CG 3.91Å; I379-F412 HydrophobicContact CG2-CZ 3.74Å; I379-A416 HydrophobicContact CD1-CB 4.05Å
380	Q	96.5	Very high	94.7	Very high	31 Å²	31	36 Å²	36	15%	0.145	16%	0.159	C	C	.	.	H	α-helix	trans	-67.9	-36	-175.4	-172.3	65.5	39.9	0	0	111.8	F376 Q382 S409 K411 F412	F376-Q380 HydrophobicContact CD1-CB 4.02Å; F376-Q380 HydrophobicContact CE1-CB 3.7Å; F376-Q380 HydrophobicContact CE1-CG 3.78Å; F376-Q380 HydrophobicContact CZ-CB 4.19Å; F376-Q380 HydrophobicContact CZ-CG 4.05Å; F376-Q380 WeakPolarHBondContact O-CB 3.23Å; F376-Q380 PolarHBondContact O-N 3.13Å; Q380-Q382 HydrophobicContact CG-CG 3.65Å; Q380-S409 PolarHBondContact NE2-OG 3.13Å; Q380-S409 VanDerWaalsContact OE1-CB 3.27Å; Q380-S409 PolarHBondContact OE1-OG 3.14Å; Q380-K411 PolarHBondContact O-NZ 3.28Å; Q380-F412 HydrophobicContact CB-CE2 3.87Å; Q380-F412 HydrophobicContact CB-CZ 4.02Å; Q380-F412 VanDerWaalsContact OE1-CE2 3.29Å
381	G	95.8	Very high	94.1	Very high	7 Å²	7	47.7 Å²	47.7	7%	0.072	20%	0.202	C	C	.	.	S	Bend	trans	81.5	19	-170.4	0	0	0	0	0	113.8	Y276 E377 I379	Y276-G381 VanDerWaalsContact CE1-O 3.29Å; Y276-G381 WeakPolarHBondContact CE1-O 3.33Å; E377-G381 VanDerWaalsContact O-CA 3.26Å; E377-G381 WeakPolarHBondContact O-CA 3.33Å; E377-G381 PolarHBondContact O-N 3.39Å; I379-G381 VanDerWaalsContact C-N 3.34Å; I379-G381 PolarHBondContact O-N 3.24Å
382	Q	94.3	Very high	93.8	Very high	65 Å²	65	49.7 Å²	49.7	30%	0.304	21%	0.214	S	C	.	.	S	Bend	trans	-155.4	154.6	172.5	77	-166.9	-13.2	0	0	110.5	F376 E377 Q380	F376-Q382 WeakPolarHBondContact CD1-O 3.4Å; F376-Q382 WeakPolarHBondContact CE1-O 3.24Å; E377-Q382 WeakPolarHBondContact CA-O 3.46Å; Q380-Q382 HydrophobicContact CG-CG 3.65Å
383	S	95.2	Very high	93.6	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.084	25%	0.248	C	C	.	.			trans	-65.3	145	175.8	169	0	0	0	0	112	F385 R386	S383-F385 VanDerWaalsContact C-N 3.31Å; S383-F385 PolarHBondContact O-N 2.92Å; S383-R386 WeakPolarHBondContact CB-O 3.37Å
384	P	96.1	Very high	93.4	Very high	21 Å²	21	62.4 Å²	62.4	14%	0.136	27%	0.267	C	S	.	.	S	Bend	trans	-62.4	-31.9	-176.8	21.8	-32.6	0	0	0	114.2	C373 F376 E406	C373-P384 HydrophobicContact CB-CG 4.41Å; F376-P384 HydrophobicContact CD1-CB 3.73Å; F376-P384 HydrophobicContact CD1-CG 4.16Å; F376-P384 HydrophobicContact CD2-CB 4.3Å; F376-P384 VanDerWaalsContact CE1-CA 3.47Å; F376-P384 HydrophobicContact CE1-CB 3.88Å; F376-P384 HydrophobicContact CE2-CB 4.42Å; F376-P384 HydrophobicContact CG-CB 3.97Å; F376-P384 HydrophobicContact CG-CG 4.39Å; F376-P384 HydrophobicContact CZ-CB 4.22Å; P384-E406 HydrophobicContact CB-CB 4.26Å
385	F	95.7	Very high	93.2	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.035	29%	0.294	C	S	.	.	S	Bend	trans	-114.3	-0.4	-173.7	-54.8	-68.6	0	0	0	113.8	W369 S383 V397 R400 V401 K426	W369-F385 AromaticContact CH2-CE2 3.87Å; W369-F385 HydrophobicContact CH2-CE2 3.87Å; W369-F385 AromaticContact CH2-CZ 3.91Å; W369-F385 HydrophobicContact CH2-CZ 3.91Å; W369-F385 HydrophobicContact CZ2-CD2 4.27Å; W369-F385 AromaticContact CZ2-CE2 3.42Å; W369-F385 HydrophobicContact CZ2-CE2 3.42Å; W369-F385 VanDerWaalsContact CZ2-CE2 3.42Å; W369-F385 AromaticContact CZ2-CZ 3.95Å; W369-F385 HydrophobicContact CZ2-CZ 3.95Å; S383-F385 VanDerWaalsContact C-N 3.31Å; S383-F385 PolarHBondContact O-N 2.92Å; F385-V397 HydrophobicContact CB-CG1 4.49Å; F385-R400 HydrophobicContact CB-CB 4.26Å; F385-R400 HydrophobicContact CD1-CB 4.2Å; F385-R400 WeakPolarHBondContact O-CD 3.42Å; F385-R400 PolarHBondContact O-NH1 3.39Å; F385-V401 HydrophobicContact CB-CG2 3.91Å; F385-V401 HydrophobicContact CD1-CG2 4.46Å; F385-V401 HydrophobicContact CD2-CG2 3.64Å; F385-V401 HydrophobicContact CE2-CG2 4.35Å; F385-V401 HydrophobicContact CG-CG2 3.72Å; F385-K426 VanDerWaalsContact CZ-NZ 3.28Å
386	R	91.5	Very high	93.1	Very high	108 Å²	108	71.2 Å²	71.2	41%	0.408	31%	0.308	S	S	.	.	S	Bend	trans	-146.7	118.4	-177.5	-171.7	178.6	-179.1	-176.8	1.6	112.1	S383 E390	S383-R386 WeakPolarHBondContact CB-O 3.37Å; R386-E390 PolarHBondContact NH2-O 3.37Å
387	K	86.1	Confident	93	Very high	134 Å²	134	71.1 Å²	71.1	58%	0.583	31%	0.308	S	S	*	.			trans	-72.4	151.5	177.6	-65.9	-179.9	-179.1	179.1	0	111.1	K389 E390	K387-K389 PolarHBondContact O-N 3.07Å; K387-E390 HydrophobicContact CB-CB 4.01Å; K387-E390 PolarHBondContact N-OE2 3.31Å; K387-E390 WeakPolarHBondContact O-CB 3.43Å; K387-E390 PolarHBondContact O-N 2.87Å; K387-E390 VanDerWaalsContact O-N 3.13Å
388	R	80.9	Confident	92.9	Very high	123 Å²	123	71.2 Å²	71.2	46%	0.464	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	134	178.8	-170.3	176.2	179.5	179.2	2.9	110.3	Y276 E390	Y276-R388 PolarHBondContact O-NH1 3Å; Y276-R388 PolarHBondContact O-NH2 3.32Å; R388-E390 PolarHBondContact O-N 3.28Å; R388-E390 VanDerWaalsContact O-N 3.12Å
389	K	82.2	Confident	92.9	Very high	195 Å²	195	74.4 Å²	74.4	85%	0.848	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	11	-176.3	-61.1	174	-179.2	178.7	0	114.8	K387 R391	K387-K389 PolarHBondContact O-N 3.07Å; K389-R391 PolarHBondContact O-N 2.84Å
390	E	89.4	Confident	92.9	Very high	43 Å²	43	76.5 Å²	76.5	20%	0.201	33%	0.328	C	S	.	.			trans	-68.5	126.7	175.2	-168.6	-174.7	-170.6	0	0	110.7	R386 K387 R388 V392 R400	R386-E390 PolarHBondContact NH2-O 3.37Å; K387-E390 HydrophobicContact CB-CB 4.01Å; K387-E390 PolarHBondContact N-OE2 3.31Å; K387-E390 WeakPolarHBondContact O-CB 3.43Å; K387-E390 PolarHBondContact O-N 2.87Å; K387-E390 VanDerWaalsContact O-N 3.13Å; R388-E390 PolarHBondContact O-N 3.28Å; R388-E390 VanDerWaalsContact O-N 3.12Å; E390-V392 HydrophobicContact CG-CB 4.42Å; E390-V392 HydrophobicContact CG-CG1 3.77Å; E390-V392 HydrophobicContact CG-CG2 3.97Å; E390-V392 VanDerWaalsContact OE1-CG1 3.24Å; E390-V392 WeakPolarHBondContact OE1-CG1 3.04Å; E390-R400 VanDerWaalsContact CD-NH1 3.35Å; E390-R400 IonicContact OE1-CZ 3.34Å; E390-R400 IonicContact OE1-NH1 3.57Å; E390-R400 PolarHBondContact OE1-NH1 3.22Å; E390-R400 IonicContact OE1-NH2 3.32Å; E390-R400 PolarHBondContact OE1-NH2 3.37Å; E390-R400 IonicContact OE2-NH1 2.71Å; E390-R400 PolarHBondContact OE2-NH1 2.83Å
391	R	87.6	Confident	92.9	Very high	248 Å²	248	75 Å²	75	94%	0.936	32%	0.321	S	S	*	.			trans	-97.2	84.2	174	-70.2	-175.6	172.8	-179	-1.6	109.3	K389	K389-R391 PolarHBondContact O-N 2.84Å
392	V	92.8	Very high	92.9	Very high	42 Å²	42	78.8 Å²	78.8	26%	0.255	33%	0.333	S	S	.	.			trans	-115.9	150.2	174.4	-80	0	0	0	0	110.9	E390 V397	E390-V392 HydrophobicContact CG-CB 4.42Å; E390-V392 HydrophobicContact CG-CG1 3.77Å; E390-V392 HydrophobicContact CG-CG2 3.97Å; E390-V392 VanDerWaalsContact OE1-CG1 3.24Å; E390-V392 WeakPolarHBondContact OE1-CG1 3.04Å; V392-V397 HydrophobicContact CB-CG2 4.41Å; V392-V397 HydrophobicContact CG2-CG2 3.5Å; V392-V397 VanDerWaalsContact CG2-CG2 3.5Å
393	K	93.9	Very high	93	Very high	164 Å²	164	81.2 Å²	81.2	71%	0.713	34%	0.344	S	S	*	.			trans	-66.6	152.2	173	-66.3	-173	-180	178.7	0	109.9	E395 E396 V397	K393-E395 WeakPolarHBondContact CB-OE2 3.28Å; K393-E395 PolarHBondContact O-N 2.97Å; K393-E396 PolarHBondContact O-N 2.89Å; K393-V397 PolarHBondContact O-N 3.37Å
394	R	93.1	Very high	93.1	Very high	102 Å²	102	83.3 Å²	83.3	39%	0.385	36%	0.355	S	S	.	.	H	α-helix	trans	-57.8	-40.3	-180	176.6	179	177.5	172	3	111.5	V349 E396 V397 D398	V349-R394 HydrophobicContact CG1-CG 4.14Å; V349-R394 HydrophobicContact CG2-CG 3.91Å; R394-E396 VanDerWaalsContact C-N 3.26Å; R394-E396 PolarHBondContact O-N 3.11Å; R394-V397 PolarHBondContact O-N 3.14Å; R394-D398 IonicContact NE-OD2 3.73Å; R394-D398 PolarHBondContact O-N 3.39Å
395	E	94.8	Very high	93	Very high	123 Å²	123	88.8 Å²	88.8	58%	0.575	38%	0.379	S	S	*	.	H	α-helix	trans	-63.1	-33.7	-176.6	-61.2	71.3	-152.5	0	0	112.1	K393 R399	K393-E395 WeakPolarHBondContact CB-OE2 3.28Å; K393-E395 PolarHBondContact O-N 2.97Å; E395-R399 WeakPolarHBondContact O-CB 3.39Å; E395-R399 PolarHBondContact O-N 3.37Å
396	E	96.4	Very high	93	Very high	62 Å²	62	89.2 Å²	89.2	29%	0.29	38%	0.381	S	S	.	.	H	α-helix	trans	-71.2	-43.8	175.9	172.7	53.8	-160.7	0	0	111	K393 R394 D398 R399 R400	K393-E396 PolarHBondContact O-N 2.89Å; R394-E396 VanDerWaalsContact C-N 3.26Å; R394-E396 PolarHBondContact O-N 3.11Å; E396-D398 VanDerWaalsContact C-N 3.28Å; E396-D398 PolarHBondContact O-N 2.88Å; E396-R399 WeakPolarHBondContact O-CB 3.37Å; E396-R399 PolarHBondContact O-N 3.38Å; E396-R399 VanDerWaalsContact O-N 3.16Å; E396-R399 IonicContact OE1-CZ 2.69Å; E396-R399 IonicContact OE1-NE 3.97Å; E396-R399 IonicContact OE1-NH2 3.79Å; E396-R399 PolarHBondContact OE1-NH2 3.15Å; E396-R399 VanDerWaalsContact OE1-NH2 3.14Å; E396-R399 IonicContact OE2-NE 3.94Å; E396-R399 PolarHBondContact OE2-NE 3.12Å; E396-R399 VanDerWaalsContact OE2-NE 3.09Å; E396-R400 VanDerWaalsContact O-CG 3.32Å; E396-R400 WeakPolarHBondContact O-CG 3.38Å; E396-R400 PolarHBondContact O-N 2.8Å; E396-R400 WeakPolarHBondContact OE1-CG 3.44Å; E396-R400 IonicContact OE1-CZ 2.89Å; E396-R400 IonicContact OE1-NE 2.85Å; E396-R400 PolarHBondContact OE1-NE 3.19Å; E396-R400 IonicContact OE1-NH2 3.33Å
397	V	96.3	Very high	93.1	Very high	2 Å²	2	92 Å²	92	1%	0.012	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-41.5	175	-176.8	0	0	0	0	110.6	V349 F385 V392 K393 R394 R399 R400 V401	V349-V397 HydrophobicContact CG1-CB 4.01Å; V349-V397 HydrophobicContact CG1-CG1 3.92Å; V349-V397 HydrophobicContact CG1-CG2 4.48Å; F385-V397 HydrophobicContact CB-CG1 4.49Å; V392-V397 HydrophobicContact CB-CG2 4.41Å; V392-V397 HydrophobicContact CG2-CG2 3.5Å; V392-V397 VanDerWaalsContact CG2-CG2 3.5Å; K393-V397 PolarHBondContact O-N 3.37Å; R394-V397 PolarHBondContact O-N 3.14Å; V397-R399 VanDerWaalsContact C-N 3.31Å; V397-R399 PolarHBondContact O-N 3.42Å; V397-R400 PolarHBondContact O-N 3.38Å; V397-V401 WeakPolarHBondContact O-CG2 3.39Å; V397-V401 PolarHBondContact O-N 3.28Å
398	D	96.6	Very high	93.6	Very high	4 Å²	4	87.8 Å²	87.8	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-35.1	176.8	-72.6	-3.3	0	0	0	112.2	R345 I357 R394 E396 R402	R345-D398 IonicContact CZ-OD2 3.22Å; R345-D398 IonicContact NH2-OD2 3.37Å; R345-D398 PolarHBondContact NH2-OD2 3.09Å; I357-D398 HydrophobicContact CD1-CB 4.25Å; I357-D398 HydrophobicContact CG2-CB 3.85Å; R394-D398 IonicContact NE-OD2 3.73Å; R394-D398 PolarHBondContact O-N 3.39Å; E396-D398 VanDerWaalsContact C-N 3.28Å; E396-D398 PolarHBondContact O-N 2.88Å; D398-R402 WeakPolarHBondContact O-CG 3.45Å; D398-R402 PolarHBondContact O-N 3.32Å
399	R	97.4	Very high	94.3	Very high	68 Å²	68	83.3 Å²	83.3	26%	0.257	37%	0.367	S	S	.	.	H	α-helix	trans	-63.8	-50.7	172.3	-170.3	-157.2	65.2	69.4	6.5	110.8	E395 E396 V397 V401 R402 E403 D404	E395-R399 WeakPolarHBondContact O-CB 3.39Å; E395-R399 PolarHBondContact O-N 3.37Å; E396-R399 WeakPolarHBondContact O-CB 3.37Å; E396-R399 PolarHBondContact O-N 3.38Å; E396-R399 VanDerWaalsContact O-N 3.16Å; E396-R399 IonicContact OE1-CZ 2.69Å; E396-R399 IonicContact OE1-NE 3.97Å; E396-R399 IonicContact OE1-NH2 3.79Å; E396-R399 PolarHBondContact OE1-NH2 3.15Å; E396-R399 VanDerWaalsContact OE1-NH2 3.14Å; E396-R399 IonicContact OE2-NE 3.94Å; E396-R399 PolarHBondContact OE2-NE 3.12Å; E396-R399 VanDerWaalsContact OE2-NE 3.09Å; V397-R399 VanDerWaalsContact C-N 3.31Å; V397-R399 PolarHBondContact O-N 3.42Å; R399-V401 VanDerWaalsContact C-N 3.31Å; R399-V401 PolarHBondContact O-N 2.93Å; R399-R402 PolarHBondContact O-N 2.92Å; R399-E403 WeakPolarHBondContact CD-OE2 3.26Å; R399-E403 VanDerWaalsContact CG-CD 3.4Å; R399-E403 HydrophobicContact CG-CG 4.43Å; R399-E403 WeakPolarHBondContact CG-OE1 3.2Å; R399-E403 WeakPolarHBondContact CG-OE2 3.49Å; R399-E403 IonicContact CZ-OE2 2.64Å; R399-E403 IonicContact NH1-OE2 3.16Å; R399-E403 PolarHBondContact NH1-OE2 2.67Å; R399-E403 WeakPolarHBondContact O-CB 3.38Å; R399-E403 PolarHBondContact O-N 2.84Å; R399-D404 IonicContact CZ-OD1 2.84Å; R399-D404 IonicContact CZ-OD2 3.84Å; R399-D404 IonicContact NH1-OD1 3.29Å; R399-D404 PolarHBondContact NH1-OD1 3.4Å; R399-D404 IonicContact NH1-OD2 3.54Å; R399-D404 IonicContact NH2-OD1 3.7Å; R399-D404 PolarHBondContact NH2-OD1 2.78Å; R399-D404 IonicContact NH2-OD2 3.64Å; R399-D404 PolarHBondContact NH2-OD2 2.77Å
400	R	97.4	Very high	95	Very high	45 Å²	45	81.4 Å²	81.4	17%	0.17	37%	0.366	C	S	.	.	H	α-helix	trans	-56.3	-43.5	178.2	-63.7	176.3	-174.1	179.7	-2.4	112.1	F385 E390 E396 V397 R402 E403 D404	F385-R400 HydrophobicContact CB-CB 4.26Å; F385-R400 HydrophobicContact CD1-CB 4.2Å; F385-R400 WeakPolarHBondContact O-CD 3.42Å; F385-R400 PolarHBondContact O-NH1 3.39Å; E390-R400 VanDerWaalsContact CD-NH1 3.35Å; E390-R400 IonicContact OE1-CZ 3.34Å; E390-R400 IonicContact OE1-NH1 3.57Å; E390-R400 PolarHBondContact OE1-NH1 3.22Å; E390-R400 IonicContact OE1-NH2 3.32Å; E390-R400 PolarHBondContact OE1-NH2 3.37Å; E390-R400 IonicContact OE2-NH1 2.71Å; E390-R400 PolarHBondContact OE2-NH1 2.83Å; E396-R400 VanDerWaalsContact O-CG 3.32Å; E396-R400 WeakPolarHBondContact O-CG 3.38Å; E396-R400 PolarHBondContact O-N 2.8Å; E396-R400 WeakPolarHBondContact OE1-CG 3.44Å; E396-R400 IonicContact OE1-CZ 2.89Å; E396-R400 IonicContact OE1-NE 2.85Å; E396-R400 PolarHBondContact OE1-NE 3.19Å; E396-R400 IonicContact OE1-NH2 3.33Å; V397-R400 PolarHBondContact O-N 3.38Å; R400-R402 VanDerWaalsContact C-N 3.27Å; R400-R402 PolarHBondContact O-N 3.37Å; R400-E403 PolarHBondContact O-N 3.43Å; R400-D404 HydrophobicContact CB-CB 4.35Å; R400-D404 WeakPolarHBondContact CG-OD2 3.34Å; R400-D404 WeakPolarHBondContact O-CB 3.47Å; R400-D404 PolarHBondContact O-N 3.2Å
401	V	97.3	Very high	95.3	Very high	0 Å²	0	83.9 Å²	83.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-57.7	-40.5	176.8	166.9	0	0	0	0	111.7	P354 I357 W369 F385 V397 R399 K426	P354-V401 HydrophobicContact CG-CG1 4.09Å; I357-V401 HydrophobicContact CD1-CB 3.8Å; I357-V401 HydrophobicContact CD1-CG1 3.51Å; I357-V401 HydrophobicContact CD1-CG2 4.27Å; W369-V401 HydrophobicContact CH2-CG1 4.19Å; W369-V401 HydrophobicContact CZ2-CG1 3.69Å; F385-V401 HydrophobicContact CB-CG2 3.91Å; F385-V401 HydrophobicContact CD1-CG2 4.46Å; F385-V401 HydrophobicContact CD2-CG2 3.64Å; F385-V401 HydrophobicContact CE2-CG2 4.35Å; F385-V401 HydrophobicContact CG-CG2 3.72Å; V397-V401 WeakPolarHBondContact O-CG2 3.39Å; V397-V401 PolarHBondContact O-N 3.28Å; R399-V401 VanDerWaalsContact C-N 3.31Å; R399-V401 PolarHBondContact O-N 2.93Å; V401-K426 VanDerWaalsContact O-CD 3.31Å; V401-K426 WeakPolarHBondContact O-CD 3.32Å; V401-K426 VanDerWaalsContact O-CE 3.26Å; V401-K426 WeakPolarHBondContact O-CE 3.28Å; V401-K426 PolarHBondContact O-NZ 3.07Å
402	R	96.5	Very high	95.8	Very high	86 Å²	86	72.5 Å²	72.5	33%	0.325	33%	0.333	S	S	.	.	H	α-helix	trans	-79.8	-38.5	-177.8	-69.7	-172.9	-59	-117.4	-2.5	113.8	P354 I357 D398 R399 R400	P354-R402 HydrophobicContact CB-CG 4.49Å; I357-R402 VanDerWaalsContact CG2-NH1 3.28Å; D398-R402 WeakPolarHBondContact O-CG 3.45Å; D398-R402 PolarHBondContact O-N 3.32Å; R399-R402 PolarHBondContact O-N 2.92Å; R400-R402 VanDerWaalsContact C-N 3.27Å; R400-R402 PolarHBondContact O-N 3.37Å
403	E	96.1	Very high	96	Very high	115 Å²	115	72.5 Å²	72.5	54%	0.537	34%	0.335	S	S	.	.	H	α-helix	trans	-111.3	-36.1	-164.2	-67.4	166.9	-156.5	0	0	113.3	R399 R400	R399-E403 WeakPolarHBondContact CD-OE2 3.26Å; R399-E403 VanDerWaalsContact CG-CD 3.4Å; R399-E403 HydrophobicContact CG-CG 4.43Å; R399-E403 WeakPolarHBondContact CG-OE1 3.2Å; R399-E403 WeakPolarHBondContact CG-OE2 3.49Å; R399-E403 IonicContact CZ-OE2 2.64Å; R399-E403 IonicContact NH1-OE2 3.16Å; R399-E403 PolarHBondContact NH1-OE2 2.67Å; R399-E403 WeakPolarHBondContact O-CB 3.38Å; R399-E403 PolarHBondContact O-N 2.84Å; R400-E403 PolarHBondContact O-N 3.43Å
404	D	96.6	Very high	96.2	Very high	56 Å²	56	70.4 Å²	70.4	30%	0.299	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-86.6	140.9	-171.2	-60.3	5.1	0	0	0	110.1	R399 R400 K426	R399-D404 IonicContact CZ-OD1 2.84Å; R399-D404 IonicContact CZ-OD2 3.84Å; R399-D404 IonicContact NH1-OD1 3.29Å; R399-D404 PolarHBondContact NH1-OD1 3.4Å; R399-D404 IonicContact NH1-OD2 3.54Å; R399-D404 IonicContact NH2-OD1 3.7Å; R399-D404 PolarHBondContact NH2-OD1 2.78Å; R399-D404 IonicContact NH2-OD2 3.64Å; R399-D404 PolarHBondContact NH2-OD2 2.77Å; R400-D404 HydrophobicContact CB-CB 4.35Å; R400-D404 WeakPolarHBondContact CG-OD2 3.34Å; R400-D404 WeakPolarHBondContact O-CB 3.47Å; R400-D404 PolarHBondContact O-N 3.2Å; D404-K426 VanDerWaalsContact O-CE 3.24Å; D404-K426 WeakPolarHBondContact O-CE 3.19Å; D404-K426 PolarHBondContact O-NZ 3.45Å
405	Q	94.8	Very high	96.5	Very high	137 Å²	137	67.8 Å²	67.8	64%	0.64	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-83.2	143.4	167.8	-64.6	-63.4	-47.6	0	0	109.2
406	E	95.1	Very high	96.6	Very high	16 Å²	16	61.9 Å²	61.9	8%	0.075	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72	144.8	177.2	67.9	-71.5	167.4	0	0	112.4	F376 P384 Y408 R421 L424	F376-E406 HydrophobicContact CD2-CB 4.49Å; F376-E406 HydrophobicContact CD2-CG 4.37Å; F376-E406 HydrophobicContact CE2-CB 4.08Å; F376-E406 HydrophobicContact CE2-CG 4.25Å; P384-E406 HydrophobicContact CB-CB 4.26Å; E406-Y408 VanDerWaalsContact CD-OH 3.24Å; E406-Y408 HydrophobicContact CG-CD2 4.39Å; E406-Y408 HydrophobicContact CG-CE1 4.16Å; E406-Y408 HydrophobicContact CG-CE2 3.47Å; E406-Y408 VanDerWaalsContact CG-CE2 3.47Å; E406-Y408 WeakPolarHBondContact CG-OH 3.46Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.41Å; E406-Y408 PolarHBondContact OE1-OH 3.07Å; E406-R421 WeakPolarHBondContact OE1-CG 3.33Å; E406-L424 HydrophobicContact CG-CD1 4Å
407	E	94.9	Very high	96.7	Very high	166 Å²	166	60.9 Å²	60.9	78%	0.776	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-102.8	127.6	179.4	-66.9	179.2	176.1	0	0	110.5	F376	F376-E407 WeakPolarHBondContact CE2-O 3.21Å; F376-E407 VanDerWaalsContact CZ-O 3.27Å; F376-E407 WeakPolarHBondContact CZ-O 3.24Å
408	Y	96.4	Very high	96.8	Very high	47 Å²	47	63.5 Å²	63.5	18%	0.184	30%	0.302	C	S	.	.			trans	-104.4	129.1	-177.8	-60.9	-86.5	0	0	0	111.3	F376 E406 F412 K417 C420 R421	F376-Y408 HydrophobicContact CD2-CD1 4.12Å; F376-Y408 AromaticContact CD2-CE1 3.78Å; F376-Y408 HydrophobicContact CD2-CE1 3.78Å; F376-Y408 AromaticContact CE2-CD1 3.99Å; F376-Y408 HydrophobicContact CE2-CD1 3.99Å; F376-Y408 HydrophobicContact CE2-CE1 4.02Å; E406-Y408 VanDerWaalsContact CD-OH 3.24Å; E406-Y408 HydrophobicContact CG-CD2 4.39Å; E406-Y408 HydrophobicContact CG-CE1 4.16Å; E406-Y408 HydrophobicContact CG-CE2 3.47Å; E406-Y408 VanDerWaalsContact CG-CE2 3.47Å; E406-Y408 WeakPolarHBondContact CG-OH 3.46Å; E406-Y408 WeakPolarHBondContact OE1-CE2 3.41Å; E406-Y408 PolarHBondContact OE1-OH 3.07Å; Y408-F412 AromaticContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD2 4.08Å; Y408-F412 AromaticContact CD1-CE1 3.78Å; Y408-F412 HydrophobicContact CD1-CE1 3.78Å; Y408-F412 HydrophobicContact CD1-CE2 4.16Å; Y408-F412 AromaticContact CD1-CG 3.86Å; Y408-F412 HydrophobicContact CD1-CG 3.86Å; Y408-F412 HydrophobicContact CD1-CZ 4.01Å; Y408-F412 HydrophobicContact CE1-CD1 4.17Å; Y408-F412 HydrophobicContact CE1-CE1 4.03Å; Y408-F412 HydrophobicContact CE1-CZ 4.49Å; Y408-K417 HydrophobicContact CD1-CB 4.32Å; Y408-K417 HydrophobicContact CD1-CG 3.92Å; Y408-K417 HydrophobicContact CD2-CG 4.4Å; Y408-K417 HydrophobicContact CE1-CB 4.45Å; Y408-K417 HydrophobicContact CG-CB 4.37Å; Y408-K417 HydrophobicContact CG-CD 4.36Å; Y408-K417 HydrophobicContact CG-CG 3.84Å; Y408-C420 HydrophobicContact CE1-CB 3.55Å; Y408-C420 WeakPolarHBondContact OH-CB 3.19Å; Y408-R421 HydrophobicContact CE2-CG 3.82Å; Y408-R421 WeakPolarHBondContact OH-CG 3.38Å; Y408-R421 PolarHBondContact OH-N 3.47Å; Y408-R421 VanDerWaalsContact OH-N 3.15Å
409	S	95.8	Very high	96.9	Very high	29 Å²	29	63.3 Å²	63.3	20%	0.203	30%	0.301	C	S	.	.			trans	-78.6	178.8	170.5	64.6	0	0	0	0	112.6	Q380 K411 F412	Q380-S409 PolarHBondContact NE2-OG 3.13Å; Q380-S409 VanDerWaalsContact OE1-CB 3.27Å; Q380-S409 PolarHBondContact OE1-OG 3.14Å; S409-K411 PolarHBondContact O-N 3.31Å; S409-K411 WeakPolarHBondContact OG-CB 3.4Å; S409-K411 PolarHBondContact OG-N 2.84Å; S409-F412 PolarHBondContact O-N 2.97Å
410	D	95.8	Very high	96.9	Very high	155 Å²	155	60 Å²	60	83%	0.829	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.9	171.9	61.2	-24.9	0	0	0	114	F412	D410-F412 PolarHBondContact O-N 3.42Å
411	K	96.1	Very high	97	Very high	95 Å²	95	62.8 Å²	62.8	41%	0.413	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.5	173.9	-64.8	-173.2	176.3	-175.1	0	114.5	S281 I379 Q380 S409	S281-K411 PolarHBondContact O-NZ 3.32Å; I379-K411 HydrophobicContact CG2-CB 3.9Å; I379-K411 VanDerWaalsContact O-CD 3.24Å; I379-K411 WeakPolarHBondContact O-CD 3.46Å; Q380-K411 PolarHBondContact O-NZ 3.28Å; S409-K411 PolarHBondContact O-N 3.31Å; S409-K411 WeakPolarHBondContact OG-CB 3.4Å; S409-K411 PolarHBondContact OG-N 2.84Å
412	F	97.9	Very high	97	Very high	9 Å²	9	64.8 Å²	64.8	4%	0.039	31%	0.309	C	S	.	.	S	Bend	trans	-99.1	129.3	-175.8	-69.1	-105.7	0	0	0	111.4	F376 I379 Q380 Y408 S409 D410 A416 K417	F376-F412 HydrophobicContact CD2-CE1 4.32Å; F376-F412 AromaticContact CD2-CZ 3.87Å; F376-F412 HydrophobicContact CD2-CZ 3.87Å; F376-F412 HydrophobicContact CE2-CZ 4.2Å; F376-F412 HydrophobicContact CG-CZ 4.18Å; I379-F412 HydrophobicContact CB-CD1 4.33Å; I379-F412 HydrophobicContact CB-CE1 3.82Å; I379-F412 HydrophobicContact CB-CE2 4.12Å; I379-F412 HydrophobicContact CB-CZ 3.7Å; I379-F412 HydrophobicContact CD1-CD1 3.93Å; I379-F412 HydrophobicContact CD1-CE1 3.83Å; I379-F412 HydrophobicContact CG1-CE1 4.4Å; I379-F412 HydrophobicContact CG2-CD1 3.96Å; I379-F412 HydrophobicContact CG2-CD2 3.77Å; I379-F412 HydrophobicContact CG2-CE1 3.89Å; I379-F412 HydrophobicContact CG2-CE2 3.66Å; I379-F412 HydrophobicContact CG2-CG 3.91Å; I379-F412 HydrophobicContact CG2-CZ 3.74Å; Q380-F412 HydrophobicContact CB-CE2 3.87Å; Q380-F412 HydrophobicContact CB-CZ 4.02Å; Q380-F412 VanDerWaalsContact OE1-CE2 3.29Å; Y408-F412 AromaticContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD1 3.71Å; Y408-F412 HydrophobicContact CD1-CD2 4.08Å; Y408-F412 AromaticContact CD1-CE1 3.78Å; Y408-F412 HydrophobicContact CD1-CE1 3.78Å; Y408-F412 HydrophobicContact CD1-CE2 4.16Å; Y408-F412 AromaticContact CD1-CG 3.86Å; Y408-F412 HydrophobicContact CD1-CG 3.86Å; Y408-F412 HydrophobicContact CD1-CZ 4.01Å; Y408-F412 HydrophobicContact CE1-CD1 4.17Å; Y408-F412 HydrophobicContact CE1-CE1 4.03Å; Y408-F412 HydrophobicContact CE1-CZ 4.49Å; S409-F412 PolarHBondContact O-N 2.97Å; D410-F412 PolarHBondContact O-N 3.42Å; F412-A416 HydrophobicContact CB-CB 4.35Å; F412-A416 HydrophobicContact CD1-CB 4.03Å; F412-K417 HydrophobicContact CB-CD 4.35Å; F412-K417 HydrophobicContact CB-CG 3.53Å; F412-K417 HydrophobicContact CG-CG 4.27Å; F412-K417 WeakPolarHBondContact O-CE 3.49Å
413	S	97.8	Very high	97.1	Very high	42 Å²	42	60.7 Å²	60.7	29%	0.294	29%	0.293	S	S	.	.			trans	-64.7	163	160.8	73.4	0	0	0	0	111.5	E285 D415 A416 K417	E285-S413 WeakPolarHBondContact OE1-CB 3.41Å; E285-S413 PolarHBondContact OE1-OG 3.5Å; E285-S413 VanDerWaalsContact OE2-CB 3.3Å; E285-S413 WeakPolarHBondContact OE2-CB 3.48Å; E285-S413 PolarHBondContact OE2-N 3.48Å; E285-S413 PolarHBondContact OE2-OG 3.23Å; S413-D415 VanDerWaalsContact C-N 3.3Å; S413-D415 PolarHBondContact O-N 3.04Å; S413-A416 PolarHBondContact O-N 3.42Å; S413-A416 VanDerWaalsContact O-N 3.14Å; S413-A416 WeakPolarHBondContact OG-CB 2.98Å; S413-A416 PolarHBondContact OG-N 3.28Å; S413-A416 VanDerWaalsContact OG-N 3.13Å; S413-K417 WeakPolarHBondContact O-CG 3.32Å; S413-K417 PolarHBondContact O-N 3.23Å
414	E	97.8	Very high	97.3	Very high	119 Å²	119	55.3 Å²	55.3	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-62	-38.8	177	-68.7	-52.9	126.9	0	0	112.2	A416 K417 D418	E414-A416 VanDerWaalsContact C-N 3.31Å; E414-A416 PolarHBondContact O-N 2.89Å; E414-K417 PolarHBondContact O-N 2.86Å; E414-K417 IonicContact OE1-NZ 3.85Å; E414-K417 PolarHBondContact OE1-NZ 3.42Å; E414-D418 WeakPolarHBondContact O-CB 3.2Å; E414-D418 PolarHBondContact O-N 3.07Å
415	D	97.9	Very high	97.4	Very high	47 Å²	47	53.7 Å²	53.7	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-36.1	174.5	-72.2	-5.7	0	0	0	111.4	S413 D418 I419 H445 I447 R449	S413-D415 VanDerWaalsContact C-N 3.3Å; S413-D415 PolarHBondContact O-N 3.04Å; D415-D418 PolarHBondContact O-N 3.42Å; D415-I419 PolarHBondContact O-N 3.38Å; D415-H445 PolarHBondContact O-CE1 3.44Å; D415-I447 HydrophobicContact CB-CB 4.2Å; D415-I447 HydrophobicContact CB-CD1 3.43Å; D415-I447 VanDerWaalsContact CB-CD1 3.43Å; D415-I447 HydrophobicContact CB-CG1 4.35Å; D415-R449 IonicContact OD2-CZ 3.14Å; D415-R449 IonicContact OD2-NH2 3Å; D415-R449 PolarHBondContact OD2-NH2 3.2Å
416	A	98.1	Very high	97.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-71.3	-38.8	178.2	0	0	0	0	0	112	E285 I379 F412 S413 E414 D418 I419 C420 I447	E285-A416 HydrophobicContact CG-CB 4.44Å; E285-A416 WeakPolarHBondContact OE2-CB 3.16Å; I379-A416 HydrophobicContact CD1-CB 4.05Å; F412-A416 HydrophobicContact CB-CB 4.35Å; F412-A416 HydrophobicContact CD1-CB 4.03Å; S413-A416 PolarHBondContact O-N 3.42Å; S413-A416 VanDerWaalsContact O-N 3.14Å; S413-A416 WeakPolarHBondContact OG-CB 2.98Å; S413-A416 PolarHBondContact OG-N 3.28Å; S413-A416 VanDerWaalsContact OG-N 3.13Å; E414-A416 VanDerWaalsContact C-N 3.31Å; E414-A416 PolarHBondContact O-N 2.89Å; A416-D418 VanDerWaalsContact C-N 3.32Å; A416-I419 WeakPolarHBondContact O-CG2 3.47Å; A416-C420 WeakPolarHBondContact O-CB 3.4Å; A416-C420 PolarHBondContact O-N 3.31Å; A416-I447 HydrophobicContact CB-CD1 4.26Å
417	K	98.4	Very high	97.6	Very high	40 Å²	40	51.9 Å²	51.9	17%	0.174	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-43.3	170.7	-62.8	175.7	-167.5	161.2	0	110.4	Y408 F412 S413 E414 C420 R421	Y408-K417 HydrophobicContact CD1-CB 4.32Å; Y408-K417 HydrophobicContact CD1-CG 3.92Å; Y408-K417 HydrophobicContact CD2-CG 4.4Å; Y408-K417 HydrophobicContact CE1-CB 4.45Å; Y408-K417 HydrophobicContact CG-CB 4.37Å; Y408-K417 HydrophobicContact CG-CD 4.36Å; Y408-K417 HydrophobicContact CG-CG 3.84Å; F412-K417 HydrophobicContact CB-CD 4.35Å; F412-K417 HydrophobicContact CB-CG 3.53Å; F412-K417 HydrophobicContact CG-CG 4.27Å; F412-K417 WeakPolarHBondContact O-CE 3.49Å; S413-K417 WeakPolarHBondContact O-CG 3.32Å; S413-K417 PolarHBondContact O-N 3.23Å; E414-K417 PolarHBondContact O-N 2.86Å; E414-K417 IonicContact OE1-NZ 3.85Å; E414-K417 PolarHBondContact OE1-NZ 3.42Å; K417-C420 PolarHBondContact O-N 3.48Å; K417-R421 VanDerWaalsContact CB-NH2 3.34Å; K417-R421 VanDerWaalsContact O-CG 3.32Å; K417-R421 WeakPolarHBondContact O-CG 3.02Å; K417-R421 PolarHBondContact O-N 2.99Å
418	D	98.5	Very high	97.7	Very high	57 Å²	57	45.5 Å²	45.5	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-62.9	-49.2	-177.1	-166.4	62.2	0	0	0	112.3	E414 D415 A416 C420 R421 Q422 H445	E414-D418 WeakPolarHBondContact O-CB 3.2Å; E414-D418 PolarHBondContact O-N 3.07Å; D415-D418 PolarHBondContact O-N 3.42Å; A416-D418 VanDerWaalsContact C-N 3.32Å; D418-C420 VanDerWaalsContact C-N 3.32Å; D418-C420 PolarHBondContact O-N 3.26Å; D418-R421 PolarHBondContact O-N 2.95Å; D418-R421 IonicContact OD1-NH1 3.45Å; D418-Q422 WeakPolarHBondContact O-CG 3.33Å; D418-Q422 PolarHBondContact O-N 3.11Å; D418-Q422 PolarHBondContact OD2-NE2 2.74Å; D418-H445 IonicContact OD2-CE1 3.97Å; D418-H445 IonicContact OD2-NE2 3.09Å; D418-H445 PolarHBondContact OD2-NE2 2.97Å; D418-H445 VanDerWaalsContact OD2-NE2 3.16Å
419	I	98.4	Very high	97.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-40.3	177.8	-168.8	165.9	0	0	0	112.1	I375 D415 A416 Q422 L423 L432 H445 I447 F448	I375-I419 HydrophobicContact CD1-CD1 4.31Å; D415-I419 PolarHBondContact O-N 3.38Å; A416-I419 WeakPolarHBondContact O-CG2 3.47Å; I419-Q422 PolarHBondContact O-N 2.95Å; I419-L423 HydrophobicContact CD1-CD1 4.31Å; I419-L423 HydrophobicContact CG1-CD1 3.79Å; I419-L423 HydrophobicContact CG1-CG 4.26Å; I419-L423 WeakPolarHBondContact O-CB 3.49Å; I419-L423 WeakPolarHBondContact O-CG 3.45Å; I419-L423 PolarHBondContact O-N 2.67Å; I419-L432 HydrophobicContact CG1-CD2 4.26Å; I419-H445 HydrophobicContact CD1-CB 4.21Å; I419-I447 HydrophobicContact CB-CG2 4.32Å; I419-I447 HydrophobicContact CD1-CG2 3.56Å; I419-I447 HydrophobicContact CG2-CG2 4.31Å; I419-F448 HydrophobicContact CD1-CD2 4.28Å; I419-F448 HydrophobicContact CD1-CE2 3.42Å; I419-F448 VanDerWaalsContact CD1-CE2 3.42Å; I419-F448 HydrophobicContact CD1-CZ 3.82Å
420	C	98.4	Very high	97.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-47.5	176.5	-80.4	0	0	0	0	111.3	I375 Y408 A416 K417 D418 Q422 L423 L424	I375-C420 VanDerWaalsContact CG2-SG 3.52Å; Y408-C420 HydrophobicContact CE1-CB 3.55Å; Y408-C420 WeakPolarHBondContact OH-CB 3.19Å; A416-C420 WeakPolarHBondContact O-CB 3.4Å; A416-C420 PolarHBondContact O-N 3.31Å; K417-C420 PolarHBondContact O-N 3.48Å; D418-C420 VanDerWaalsContact C-N 3.32Å; D418-C420 PolarHBondContact O-N 3.26Å; C420-Q422 VanDerWaalsContact C-N 3.32Å; C420-Q422 PolarHBondContact O-N 2.98Å; C420-L423 PolarHBondContact O-N 3.05Å; C420-L424 WeakPolarHBondContact O-CB 3.5Å; C420-L424 VanDerWaalsContact O-CG 3.29Å; C420-L424 WeakPolarHBondContact O-CG 3.26Å; C420-L424 PolarHBondContact O-N 3.32Å
421	R	98.3	Very high	97.9	Very high	102 Å²	102	47.9 Å²	47.9	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-58.9	-43.6	177	-72.9	-176.7	-136.1	125.3	-5.4	111.7	E406 Y408 K417 D418 L424 A425	E406-R421 WeakPolarHBondContact OE1-CG 3.33Å; Y408-R421 HydrophobicContact CE2-CG 3.82Å; Y408-R421 WeakPolarHBondContact OH-CG 3.38Å; Y408-R421 PolarHBondContact OH-N 3.47Å; Y408-R421 VanDerWaalsContact OH-N 3.15Å; K417-R421 VanDerWaalsContact CB-NH2 3.34Å; K417-R421 VanDerWaalsContact O-CG 3.32Å; K417-R421 WeakPolarHBondContact O-CG 3.02Å; K417-R421 PolarHBondContact O-N 2.99Å; D418-R421 PolarHBondContact O-N 2.95Å; D418-R421 IonicContact OD1-NH1 3.45Å; R421-L424 CarbonylContact O-C 3.6Å; R421-L424 PolarHBondContact O-N 3.18Å; R421-A425 PolarHBondContact O-N 2.85Å; R421-A425 VanDerWaalsContact O-N 3.08Å
422	Q	98.4	Very high	98	Very high	42 Å²	42	43.6 Å²	43.6	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-69.3	-35.3	-179.3	-67.2	-165.5	61	0	0	113	D418 I419 C420 R431 L432	D418-Q422 WeakPolarHBondContact O-CG 3.33Å; D418-Q422 PolarHBondContact O-N 3.11Å; D418-Q422 PolarHBondContact OD2-NE2 2.74Å; I419-Q422 PolarHBondContact O-N 2.95Å; C420-Q422 VanDerWaalsContact C-N 3.32Å; C420-Q422 PolarHBondContact O-N 2.98Å; Q422-R431 WeakPolarHBondContact O-CA 3.45Å; Q422-L432 HydrophobicContact CB-CB 3.91Å; Q422-L432 HydrophobicContact CB-CD2 4.34Å; Q422-L432 PolarHBondContact O-N 3.23Å
423	L	98.6	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-77.8	-30.2	174.5	-71.3	170.4	0	0	0	112.9	W368 L371 I375 I419 C420 A425 R431 L432 V442	W368-L423 HydrophobicContact CB-CD2 4.15Å; L371-L423 HydrophobicContact CB-CD1 4.47Å; L371-L423 HydrophobicContact CD2-CD1 4.19Å; L371-L423 HydrophobicContact CG-CD1 4.05Å; I375-L423 HydrophobicContact CD1-CD1 3.73Å; I419-L423 HydrophobicContact CD1-CD1 4.31Å; I419-L423 HydrophobicContact CG1-CD1 3.79Å; I419-L423 HydrophobicContact CG1-CG 4.26Å; I419-L423 WeakPolarHBondContact O-CB 3.49Å; I419-L423 WeakPolarHBondContact O-CG 3.45Å; I419-L423 PolarHBondContact O-N 2.67Å; C420-L423 PolarHBondContact O-N 3.05Å; L423-A425 VanDerWaalsContact C-N 3.3Å; L423-R431 WeakPolarHBondContact O-CD 3.27Å; L423-R431 WeakPolarHBondContact O-CG 3.35Å; L423-L432 HydrophobicContact CD2-CB 4.02Å; L423-L432 HydrophobicContact CD2-CD2 4.35Å; L423-L432 HydrophobicContact CD2-CG 4.46Å; L423-L432 HydrophobicContact CG-CB 4.4Å; L423-L432 HydrophobicContact CG-CD2 4.4Å; L423-V442 HydrophobicContact CD2-CG2 4.46Å
424	L	98.6	Very high	97.9	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.2	177.4	-63.7	174	0	0	0	112.8	W369 E406 C420 R421 K426	W369-L424 HydrophobicContact CD2-CD2 3.95Å; W369-L424 HydrophobicContact CE3-CD2 3.99Å; W369-L424 HydrophobicContact CH2-CD2 4.1Å; W369-L424 HydrophobicContact CZ2-CD2 4.03Å; W369-L424 HydrophobicContact CZ3-CB 4.16Å; W369-L424 HydrophobicContact CZ3-CD2 4.09Å; W369-L424 WeakPolarHBondContact CZ3-O 3.17Å; E406-L424 HydrophobicContact CG-CD1 4Å; C420-L424 WeakPolarHBondContact O-CB 3.5Å; C420-L424 VanDerWaalsContact O-CG 3.29Å; C420-L424 WeakPolarHBondContact O-CG 3.26Å; C420-L424 PolarHBondContact O-N 3.32Å; R421-L424 CarbonylContact O-C 3.6Å; R421-L424 PolarHBondContact O-N 3.18Å; L424-K426 PolarHBondContact O-N 3.34Å
425	A	98.3	Very high	97.6	Very high	22 Å²	22	43.3 Å²	43.3	18%	0.182	21%	0.207	C	C	.	.			trans	-58.2	125.5	169.4	0	0	0	0	0	109.6	R421 L423 R431	R421-A425 PolarHBondContact O-N 2.85Å; R421-A425 VanDerWaalsContact O-N 3.08Å; L423-A425 VanDerWaalsContact C-N 3.3Å; A425-R431 HydrophobicContact CB-CB 4.17Å; A425-R431 HydrophobicContact CB-CG 4.44Å; A425-R431 PolarHBondContact O-NE 2.98Å; A425-R431 PolarHBondContact O-NH2 3.02Å; A425-R431 VanDerWaalsContact O-NH2 3.12Å
426	K	97.9	Very high	97.1	Very high	39 Å²	39	44.5 Å²	44.5	17%	0.17	23%	0.231	C	C	.	.	S	Bend	trans	-67.3	-40.7	-174.5	-50.4	-55.8	-171.5	-174	0	111.6	P354 W369 F385 V401 D404 L424 P428 R431	P354-K426 HydrophobicContact CG-CB 4.26Å; P354-K426 HydrophobicContact CG-CD 4.1Å; W369-K426 HydrophobicContact CH2-CD 3.83Å; W369-K426 HydrophobicContact CZ3-CD 3.88Å; F385-K426 VanDerWaalsContact CZ-NZ 3.28Å; V401-K426 VanDerWaalsContact O-CD 3.31Å; V401-K426 WeakPolarHBondContact O-CD 3.32Å; V401-K426 VanDerWaalsContact O-CE 3.26Å; V401-K426 WeakPolarHBondContact O-CE 3.28Å; V401-K426 PolarHBondContact O-NZ 3.07Å; D404-K426 VanDerWaalsContact O-CE 3.24Å; D404-K426 WeakPolarHBondContact O-CE 3.19Å; D404-K426 PolarHBondContact O-NZ 3.45Å; L424-K426 PolarHBondContact O-N 3.34Å; K426-P428 WeakPolarHBondContact O-CD 3.29Å; K426-R431 PolarHBondContact O-NH2 3.28Å; K426-R431 VanDerWaalsContact O-NH2 3.16Å
427	D	97.6	Very high	96.7	Very high	77 Å²	77	48 Å²	48	41%	0.412	26%	0.255	S	S	.	.	S	Bend	trans	-74.3	117.6	171.5	-173	-16.5	0	0	0	109.7	K429 E430 R431	D427-K429 PolarHBondContact O-N 2.92Å; D427-K429 WeakPolarHBondContact OD1-CB 3.21Å; D427-K429 PolarHBondContact OD1-N 3.04Å; D427-E430 HydrophobicContact CB-CB 4.48Å; D427-E430 HydrophobicContact CB-CG 4.36Å; D427-E430 PolarHBondContact O-N 2.83Å; D427-R431 PolarHBondContact O-N 3.28Å
428	P	97.2	Very high	96.5	Very high	32 Å²	32	47.3 Å²	47.3	21%	0.208	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.3	178.2	25.1	-33.9	0	0	0	113.6	K426 E430 R431 C434	K426-P428 WeakPolarHBondContact O-CD 3.29Å; P428-E430 VanDerWaalsContact C-N 3.35Å; P428-R431 PolarHBondContact O-N 3.02Å; P428-C434 WeakPolarHBondContact O-CB 3.5Å
429	K	95.9	Very high	96.4	Very high	160 Å²	160	44.9 Å²	44.9	70%	0.696	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.7	177.6	-64.7	177.3	-178.3	174.2	0	112.9	D427	D427-K429 PolarHBondContact O-N 2.92Å; D427-K429 WeakPolarHBondContact OD1-CB 3.21Å; D427-K429 PolarHBondContact OD1-N 3.04Å
430	E	96.5	Very high	96.3	Very high	120 Å²	120	48.2 Å²	48.2	56%	0.561	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.7	178.3	-61.9	-56.7	139.3	0	0	112.2	D427 P428 R435	D427-E430 HydrophobicContact CB-CB 4.48Å; D427-E430 HydrophobicContact CB-CG 4.36Å; D427-E430 PolarHBondContact O-N 2.83Å; P428-E430 VanDerWaalsContact C-N 3.35Å; E430-R435 VanDerWaalsContact O-CZ 3.29Å; E430-R435 PolarHBondContact O-NE 3.47Å; E430-R435 PolarHBondContact O-NH2 3.24Å
431	R	98.4	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-72.3	133.4	-175.5	-165.1	178.8	-61.1	146.4	8.4	112.1	E355 S365 Q422 L423 A425 K426 D427 P428 G433 C434	E355-R431 IonicContact OE1-CZ 3.24Å; E355-R431 IonicContact OE1-NH1 2.78Å; E355-R431 PolarHBondContact OE1-NH1 3.49Å; E355-R431 IonicContact OE1-NH2 2.89Å; E355-R431 IonicContact OE2-CZ 2.78Å; E355-R431 IonicContact OE2-NH1 3.64Å; E355-R431 PolarHBondContact OE2-NH1 2.9Å; E355-R431 IonicContact OE2-NH2 3.85Å; E355-R431 PolarHBondContact OE2-NH2 3.29Å; S365-R431 PolarHBondContact O-NH1 2.9Å; Q422-R431 WeakPolarHBondContact O-CA 3.45Å; L423-R431 WeakPolarHBondContact O-CD 3.27Å; L423-R431 WeakPolarHBondContact O-CG 3.35Å; A425-R431 HydrophobicContact CB-CB 4.17Å; A425-R431 HydrophobicContact CB-CG 4.44Å; A425-R431 PolarHBondContact O-NE 2.98Å; A425-R431 PolarHBondContact O-NH2 3.02Å; A425-R431 VanDerWaalsContact O-NH2 3.12Å; K426-R431 PolarHBondContact O-NH2 3.28Å; K426-R431 VanDerWaalsContact O-NH2 3.16Å; D427-R431 PolarHBondContact O-N 3.28Å; P428-R431 PolarHBondContact O-N 3.02Å; R431-G433 PolarHBondContact O-N 2.85Å; R431-C434 HydrophobicContact CB-CB 4.37Å; R431-C434 VanDerWaalsContact O-CB 3.28Å; R431-C434 WeakPolarHBondContact O-CB 3.44Å; R431-C434 PolarHBondContact O-N 3.28Å
432	L	98.2	Very high	96.1	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	137.7	172.8	-168.9	70.7	0	0	0	110.3	W368 I419 Q422 L423 C434 E441 V442	W368-L432 WeakPolarHBondContact CB-O 3.42Å; I419-L432 HydrophobicContact CG1-CD2 4.26Å; Q422-L432 HydrophobicContact CB-CB 3.91Å; Q422-L432 HydrophobicContact CB-CD2 4.34Å; Q422-L432 PolarHBondContact O-N 3.23Å; L423-L432 HydrophobicContact CD2-CB 4.02Å; L423-L432 HydrophobicContact CD2-CD2 4.35Å; L423-L432 HydrophobicContact CD2-CG 4.46Å; L423-L432 HydrophobicContact CG-CB 4.4Å; L423-L432 HydrophobicContact CG-CD2 4.4Å; L432-C434 VanDerWaalsContact C-N 3.34Å; L432-E441 HydrophobicContact CD1-CB 4.1Å; L432-E441 HydrophobicContact CD1-CG 3.99Å; L432-V442 HydrophobicContact CD2-CG2 4.34Å; L432-V442 HydrophobicContact CG-CG2 3.99Å
433	G	97.3	Very high	96.1	Very high	6 Å²	6	44 Å²	44	6%	0.062	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-10.6	-168.7	0	0	0	0	0	114.4	W368 R431 G438 E441	W368-G433 PolarHBondContact NE1-O 2.97Å; R431-G433 PolarHBondContact O-N 2.85Å; G433-G438 WeakPolarHBondContact CA-O 3.49Å; G433-G438 WeakPolarHBondContact O-CA 3.45Å; G433-E441 WeakPolarHBondContact CA-OE1 3.36Å; G433-E441 PolarHBondContact N-OE1 2.73Å
434	C	96.8	Very high	95.9	Very high	41 Å²	41	50.9 Å²	50.9	28%	0.277	28%	0.283	S	S	.	.			trans	-116.5	-1.9	-174.2	-54	0	0	0	0	113.8	S365 P428 R431 L432 G436 E441	S365-C434 VanDerWaalsContact CA-SG 3.59Å; S365-C434 VanDerWaalsContact CB-SG 3.54Å; P428-C434 WeakPolarHBondContact O-CB 3.5Å; R431-C434 HydrophobicContact CB-CB 4.37Å; R431-C434 VanDerWaalsContact O-CB 3.28Å; R431-C434 WeakPolarHBondContact O-CB 3.44Å; R431-C434 PolarHBondContact O-N 3.28Å; L432-C434 VanDerWaalsContact C-N 3.34Å; C434-G436 PolarHBondContact O-N 3.29Å; C434-E441 PolarHBondContact N-OE1 3.42Å
435	R	92.1	Very high	95.9	Very high	117 Å²	117	51.2 Å²	51.2	44%	0.442	29%	0.285	S	S	.	.	S	Bend	trans	-85	14.5	-174.4	-53	175.2	-174.6	152	1.8	114	E430 E441	E430-R435 VanDerWaalsContact O-CZ 3.29Å; E430-R435 PolarHBondContact O-NE 3.47Å; E430-R435 PolarHBondContact O-NH2 3.24Å; R435-E441 WeakPolarHBondContact CB-OE1 3.39Å; R435-E441 WeakPolarHBondContact CB-OE2 3.42Å; R435-E441 PolarHBondContact N-OE1 3.4Å
436	G	87	Confident	95.9	Very high	72 Å²	72	53.4 Å²	53.4	74%	0.742	30%	0.297	S	S	*	.	S	Bend	trans	109	-14.1	175.2	0	0	0	0	0	115	C434	C434-G436 PolarHBondContact O-N 3.29Å
437	C	89.2	Confident	95.8	Very high	75 Å²	75	52.4 Å²	52.4	51%	0.507	29%	0.294	S	S	.	.	S	Bend	trans	-106.1	-0	-178.7	-62.4	0	0	0	0	114.3	A439 T440 E441	C437-A439 PolarHBondContact O-N 3.33Å; C437-T440 WeakPolarHBondContact O-CB 3.34Å; C437-T440 PolarHBondContact O-N 2.98Å; C437-T440 PolarHBondContact O-OG1 3.34Å; C437-E441 HydrophobicContact CB-CB 4.14Å; C437-E441 HydrophobicContact CB-CG 4.24Å; C437-E441 WeakPolarHBondContact CB-OE2 3.49Å; C437-E441 PolarHBondContact N-OE2 2.95Å; C437-E441 VanDerWaalsContact N-OE2 3.17Å
438	G	94.3	Very high	95.8	Very high	25 Å²	25	48.9 Å²	48.9	26%	0.258	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	-131.8	173.9	0	0	0	0	0	112.3	G433 T440 E441	G433-G438 WeakPolarHBondContact CA-O 3.49Å; G433-G438 WeakPolarHBondContact O-CA 3.45Å; G438-T440 PolarHBondContact O-N 3.21Å; G438-E441 VanDerWaalsContact O-CG 3.24Å; G438-E441 WeakPolarHBondContact O-CG 3.08Å
439	A	96.6	Very high	95.6	Very high	6 Å²	6	55.7 Å²	55.7	5%	0.05	30%	0.296	C	S	.	.	H	α-helix	trans	-62.9	-23.6	177	0	0	0	0	0	113.5	E300 W368 C437 E441 V442 K443	E300-A439 HydrophobicContact CB-CB 3.63Å; E300-A439 HydrophobicContact CG-CB 3.6Å; W368-A439 HydrophobicContact CH2-CB 3.72Å; W368-A439 HydrophobicContact CZ2-CB 4.05Å; C437-A439 PolarHBondContact O-N 3.33Å; A439-E441 PolarHBondContact O-N 2.85Å; A439-V442 WeakPolarHBondContact O-CB 3.37Å; A439-V442 PolarHBondContact O-N 3.44Å; A439-V442 VanDerWaalsContact O-N 3.17Å; A439-K443 WeakPolarHBondContact O-CB 3.31Å; A439-K443 VanDerWaalsContact O-CG 3.28Å; A439-K443 WeakPolarHBondContact O-CG 3.36Å; A439-K443 PolarHBondContact O-N 2.99Å
440	T	95.8	Very high	95.4	Very high	69 Å²	69	55.2 Å²	55.2	42%	0.423	30%	0.301	S	S	.	.	H	α-helix	trans	-61.1	-45.5	-175.3	-52.2	0	0	0	0	112	C437 G438 V442 K443 Q444	C437-T440 WeakPolarHBondContact O-CB 3.34Å; C437-T440 PolarHBondContact O-N 2.98Å; C437-T440 PolarHBondContact O-OG1 3.34Å; G438-T440 PolarHBondContact O-N 3.21Å; T440-V442 VanDerWaalsContact C-N 3.33Å; T440-V442 PolarHBondContact O-N 2.86Å; T440-K443 PolarHBondContact O-N 3.2Å; T440-Q444 WeakPolarHBondContact O-CB 3.41Å; T440-Q444 VanDerWaalsContact O-CG 3.26Å; T440-Q444 WeakPolarHBondContact O-CG 3.25Å; T440-Q444 PolarHBondContact O-N 3.35Å
441	E	95.7	Very high	95.2	Very high	25 Å²	25	51 Å²	51	12%	0.117	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-33.5	177.6	57.6	-171.4	-123.4	0	0	112	L432 G433 C434 R435 C437 G438 A439 Q444 H445	L432-E441 HydrophobicContact CD1-CB 4.1Å; L432-E441 HydrophobicContact CD1-CG 3.99Å; G433-E441 WeakPolarHBondContact CA-OE1 3.36Å; G433-E441 PolarHBondContact N-OE1 2.73Å; C434-E441 PolarHBondContact N-OE1 3.42Å; R435-E441 WeakPolarHBondContact CB-OE1 3.39Å; R435-E441 WeakPolarHBondContact CB-OE2 3.42Å; R435-E441 PolarHBondContact N-OE1 3.4Å; C437-E441 HydrophobicContact CB-CB 4.14Å; C437-E441 HydrophobicContact CB-CG 4.24Å; C437-E441 WeakPolarHBondContact CB-OE2 3.49Å; C437-E441 PolarHBondContact N-OE2 2.95Å; C437-E441 VanDerWaalsContact N-OE2 3.17Å; G438-E441 VanDerWaalsContact O-CG 3.24Å; G438-E441 WeakPolarHBondContact O-CG 3.08Å; A439-E441 PolarHBondContact O-N 2.85Å; E441-Q444 PolarHBondContact O-N 3.46Å; E441-H445 PolarHBondContact O-N 3.17Å
442	V	98	Very high	94.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-47.9	174.3	-177.5	0	0	0	0	110.2	W368 L371 L423 L432 A439 T440 Q444 H445 F448	W368-V442 HydrophobicContact CD2-CG2 4.32Å; W368-V442 HydrophobicContact CE3-CG2 3.91Å; W368-V442 HydrophobicContact CH2-CG2 4.26Å; W368-V442 HydrophobicContact CZ3-CB 4.41Å; W368-V442 HydrophobicContact CZ3-CG1 4.37Å; W368-V442 HydrophobicContact CZ3-CG2 3.89Å; L371-V442 HydrophobicContact CD2-CG1 4.23Å; L423-V442 HydrophobicContact CD2-CG2 4.46Å; L432-V442 HydrophobicContact CD2-CG2 4.34Å; L432-V442 HydrophobicContact CG-CG2 3.99Å; A439-V442 WeakPolarHBondContact O-CB 3.37Å; A439-V442 PolarHBondContact O-N 3.44Å; A439-V442 VanDerWaalsContact O-N 3.17Å; T440-V442 VanDerWaalsContact C-N 3.33Å; T440-V442 PolarHBondContact O-N 2.86Å; V442-Q444 PolarHBondContact O-N 3.24Å; V442-H445 VanDerWaalsContact O-CB 3.27Å; V442-H445 WeakPolarHBondContact O-CB 3.41Å; V442-H445 PolarHBondContact O-N 3.48Å; V442-F448 HydrophobicContact CG1-CE2 4.17Å; V442-F448 VanDerWaalsContact O-CD2 3.3Å; V442-F448 WeakPolarHBondContact O-CD2 3.24Å
443	K	97.4	Very high	94.6	Very high	31 Å²	31	53.7 Å²	53.7	14%	0.135	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-26.1	179.2	-68.4	-178.1	178.4	176.9	0	113.1	E300 A439 T440 H445 F453 E457	E300-K443 IonicContact OE1-NZ 2.83Å; E300-K443 PolarHBondContact OE1-NZ 3.1Å; E300-K443 VanDerWaalsContact OE1-NZ 3.11Å; E300-K443 IonicContact OE2-NZ 3.21Å; E300-K443 PolarHBondContact OE2-NZ 2.84Å; A439-K443 WeakPolarHBondContact O-CB 3.31Å; A439-K443 VanDerWaalsContact O-CG 3.28Å; A439-K443 WeakPolarHBondContact O-CG 3.36Å; A439-K443 PolarHBondContact O-N 2.99Å; T440-K443 PolarHBondContact O-N 3.2Å; K443-H445 VanDerWaalsContact C-N 3.34Å; K443-F453 HydrophobicContact CB-CD2 3.87Å; K443-F453 HydrophobicContact CB-CE1 4.42Å; K443-F453 HydrophobicContact CB-CE2 3.61Å; K443-F453 HydrophobicContact CB-CG 4.38Å; K443-F453 HydrophobicContact CB-CZ 3.92Å; K443-F453 HydrophobicContact CD-CB 4.26Å; K443-F453 HydrophobicContact CD-CD1 3.73Å; K443-F453 HydrophobicContact CD-CD2 4.12Å; K443-F453 HydrophobicContact CD-CE1 4.06Å; K443-F453 HydrophobicContact CD-CE2 4.42Å; K443-F453 HydrophobicContact CD-CG 3.76Å; K443-F453 HydrophobicContact CD-CZ 4.4Å; K443-F453 HydrophobicContact CG-CD1 3.84Å; K443-F453 HydrophobicContact CG-CD2 3.97Å; K443-F453 HydrophobicContact CG-CE1 3.64Å; K443-F453 HydrophobicContact CG-CE2 3.77Å; K443-F453 HydrophobicContact CG-CG 4Å; K443-F453 HydrophobicContact CG-CZ 3.6Å; K443-E457 IonicContact NZ-OE1 2.74Å; K443-E457 PolarHBondContact NZ-OE1 3.05Å
444	Q	96.1	Very high	94.3	Very high	145 Å²	145	57.4 Å²	57.4	68%	0.678	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.9	178	-75.5	173.8	-8.8	0	0	113.9	T440 E441 V442	T440-Q444 WeakPolarHBondContact O-CB 3.41Å; T440-Q444 VanDerWaalsContact O-CG 3.26Å; T440-Q444 WeakPolarHBondContact O-CG 3.25Å; T440-Q444 PolarHBondContact O-N 3.35Å; E441-Q444 PolarHBondContact O-N 3.46Å; V442-Q444 PolarHBondContact O-N 3.24Å
445	H	97.9	Very high	94.1	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.037	31%	0.309	C	S	.	.	S	Bend	trans	-58.6	137.4	178.6	-169.6	-83.9	0	0	0	111.4	D415 D418 I419 E441 V442 K443 I447 F448	D415-H445 PolarHBondContact O-CE1 3.44Å; D418-H445 IonicContact OD2-CE1 3.97Å; D418-H445 IonicContact OD2-NE2 3.09Å; D418-H445 PolarHBondContact OD2-NE2 2.97Å; D418-H445 VanDerWaalsContact OD2-NE2 3.16Å; I419-H445 HydrophobicContact CD1-CB 4.21Å; E441-H445 PolarHBondContact O-N 3.17Å; V442-H445 VanDerWaalsContact O-CB 3.27Å; V442-H445 WeakPolarHBondContact O-CB 3.41Å; V442-H445 PolarHBondContact O-N 3.48Å; K443-H445 VanDerWaalsContact C-N 3.34Å; H445-I447 HydrophobicContact CB-CG2 4.25Å; H445-I447 WeakPolarHBondContact ND1-CB 3.44Å; H445-I447 WeakPolarHBondContact ND1-CG2 3.47Å; H445-I447 PolarHBondContact ND1-N 3.29Å; H445-I447 PolarHBondContact O-N 3.3Å; H445-F448 HydrophobicContact CB-CD2 4.32Å; H445-F448 PolarHBondContact O-N 3.17Å
446	P	97.4	Very high	94.2	Very high	68 Å²	68	53.2 Å²	53.2	44%	0.442	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-54.3	-26.7	-176.1	-30	36.2	0	0	0	115.8	F448 R449	P446-F448 PolarHBondContact O-N 3.23Å; P446-R449 VanDerWaalsContact O-CB 3.31Å; P446-R449 WeakPolarHBondContact O-CB 3.29Å; P446-R449 VanDerWaalsContact O-CG 3.3Å; P446-R449 WeakPolarHBondContact O-CG 3.5Å; P446-R449 PolarHBondContact O-N 3.49Å; P446-R449 PolarHBondContact O-NE 3.27Å
447	I	97.4	Very high	94.5	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.097	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.1	175.5	-160.1	66.6	0	0	0	112.9	L289 D415 A416 I419 H445	L289-I447 HydrophobicContact CD1-CD1 3.73Å; L289-I447 HydrophobicContact CD1-CG1 3.59Å; L289-I447 HydrophobicContact CD2-CD1 4.12Å; L289-I447 HydrophobicContact CD2-CG1 3.33Å; L289-I447 HydrophobicContact CD2-CG2 4.4Å; L289-I447 HydrophobicContact CG-CG1 4.07Å; D415-I447 HydrophobicContact CB-CB 4.2Å; D415-I447 HydrophobicContact CB-CD1 3.43Å; D415-I447 VanDerWaalsContact CB-CD1 3.43Å; D415-I447 HydrophobicContact CB-CG1 4.35Å; A416-I447 HydrophobicContact CB-CD1 4.26Å; I419-I447 HydrophobicContact CB-CG2 4.32Å; I419-I447 HydrophobicContact CD1-CG2 3.56Å; I419-I447 HydrophobicContact CG2-CG2 4.31Å; H445-I447 HydrophobicContact CB-CG2 4.25Å; H445-I447 WeakPolarHBondContact ND1-CB 3.44Å; H445-I447 WeakPolarHBondContact ND1-CG2 3.47Å; H445-I447 PolarHBondContact ND1-N 3.29Å; H445-I447 PolarHBondContact O-N 3.3Å
448	F	97.4	Very high	94.6	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.013	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-100.1	11.2	-179.6	-59.5	-55.5	0	0	0	113.6	L289 A292 A293 I419 V442 H445 P446 N450 I451 F453	L289-F448 HydrophobicContact CB-CE1 4.49Å; L289-F448 HydrophobicContact CD2-CE1 4.27Å; A292-F448 HydrophobicContact CB-CE1 4.3Å; A292-F448 HydrophobicContact CB-CZ 4.22Å; A293-F448 HydrophobicContact CB-CD1 4.31Å; A293-F448 HydrophobicContact CB-CE1 4.13Å; I419-F448 HydrophobicContact CD1-CD2 4.28Å; I419-F448 HydrophobicContact CD1-CE2 3.42Å; I419-F448 VanDerWaalsContact CD1-CE2 3.42Å; I419-F448 HydrophobicContact CD1-CZ 3.82Å; V442-F448 HydrophobicContact CG1-CE2 4.17Å; V442-F448 VanDerWaalsContact O-CD2 3.3Å; V442-F448 WeakPolarHBondContact O-CD2 3.24Å; H445-F448 HydrophobicContact CB-CD2 4.32Å; H445-F448 PolarHBondContact O-N 3.17Å; P446-F448 PolarHBondContact O-N 3.23Å; F448-N450 PolarHBondContact O-N 3.49Å; F448-I451 HydrophobicContact CD1-CD1 3.77Å; F448-I451 HydrophobicContact CE1-CD1 4.47Å; F448-I451 PolarHBondContact O-N 2.85Å; F448-F453 HydrophobicContact CB-CE2 3.87Å; F448-F453 HydrophobicContact CB-CZ 4.12Å; F448-F453 HydrophobicContact CD1-CZ 4.46Å; F448-F453 HydrophobicContact CD2-CZ 4.23Å; F448-F453 HydrophobicContact CG-CE2 4.29Å; F448-F453 HydrophobicContact CG-CZ 4.04Å
449	R	92.4	Very high	94.5	Very high	175 Å²	175	51 Å²	51	66%	0.66	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.1	-176.5	70.9	-177.2	104.2	170.6	6	114.5	D415 P446	D415-R449 IonicContact OD2-CZ 3.14Å; D415-R449 IonicContact OD2-NH2 3Å; D415-R449 PolarHBondContact OD2-NH2 3.2Å; P446-R449 VanDerWaalsContact O-CB 3.31Å; P446-R449 WeakPolarHBondContact O-CB 3.29Å; P446-R449 VanDerWaalsContact O-CG 3.3Å; P446-R449 WeakPolarHBondContact O-CG 3.5Å; P446-R449 PolarHBondContact O-N 3.49Å; P446-R449 PolarHBondContact O-NE 3.27Å
450	N	90.6	Very high	94.3	Very high	150 Å²	150	55 Å²	55	80%	0.802	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	1.5	-179.1	-64.4	-30.4	0	0	0	113.5	F448	F448-N450 PolarHBondContact O-N 3.49Å
451	I	93.1	Very high	94.2	Very high	32 Å²	32	53.4 Å²	53.4	16%	0.164	26%	0.261	C	S	.	.			trans	-102.6	113.2	-179.8	-58.8	-172.4	0	0	0	109.7	A293 F448 F453 L456 L461	A293-I451 HydrophobicContact CB-CD1 3.58Å; A293-I451 HydrophobicContact CB-CG2 4.25Å; F448-I451 HydrophobicContact CD1-CD1 3.77Å; F448-I451 HydrophobicContact CE1-CD1 4.47Å; F448-I451 PolarHBondContact O-N 2.85Å; I451-F453 HydrophobicContact CB-CE2 4.4Å; I451-F453 HydrophobicContact CG2-CD2 4.3Å; I451-F453 HydrophobicContact CG2-CE2 4.25Å; I451-F453 HydrophobicContact CG2-CG 4.46Å; I451-F453 HydrophobicContact CG2-CZ 4.37Å; I451-F453 PolarHBondContact O-N 3.06Å; I451-L456 HydrophobicContact CG2-CB 4.5Å; I451-L456 HydrophobicContact CG2-CD2 4.15Å; I451-L461 HydrophobicContact CG2-CD1 4.22Å
452	N	91.4	Very high	94.1	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.203	29%	0.29	C	S	.	.			trans	-80.9	96.8	167.5	-172.5	-34	0	0	0	109.9	K139 K454 R455 L456	K139-N452 PolarHBondContact NZ-OD1 3.49Å; N452-K454 PolarHBondContact O-N 3.33Å; N452-K454 VanDerWaalsContact O-N 3.15Å; N452-K454 PolarHBondContact OD1-N 2.94Å; N452-R455 HydrophobicContact CB-CB 4.22Å; N452-R455 HydrophobicContact CB-CG 4.29Å; N452-R455 PolarHBondContact O-N 3.01Å; N452-R455 PolarHBondContact OD1-N 3.14Å; N452-L456 PolarHBondContact O-N 3.39Å
453	F	93.6	Very high	94	Very high	22 Å²	22	59.2 Å²	59.2	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-30	-177.1	-80.8	-84.1	0	0	0	114.9	A293 K443 F448 I451 L456 E457	A293-F453 HydrophobicContact CB-CE1 3.79Å; A293-F453 HydrophobicContact CB-CZ 4.01Å; K443-F453 HydrophobicContact CB-CD2 3.87Å; K443-F453 HydrophobicContact CB-CE1 4.42Å; K443-F453 HydrophobicContact CB-CE2 3.61Å; K443-F453 HydrophobicContact CB-CG 4.38Å; K443-F453 HydrophobicContact CB-CZ 3.92Å; K443-F453 HydrophobicContact CD-CB 4.26Å; K443-F453 HydrophobicContact CD-CD1 3.73Å; K443-F453 HydrophobicContact CD-CD2 4.12Å; K443-F453 HydrophobicContact CD-CE1 4.06Å; K443-F453 HydrophobicContact CD-CE2 4.42Å; K443-F453 HydrophobicContact CD-CG 3.76Å; K443-F453 HydrophobicContact CD-CZ 4.4Å; K443-F453 HydrophobicContact CG-CD1 3.84Å; K443-F453 HydrophobicContact CG-CD2 3.97Å; K443-F453 HydrophobicContact CG-CE1 3.64Å; K443-F453 HydrophobicContact CG-CE2 3.77Å; K443-F453 HydrophobicContact CG-CG 4Å; K443-F453 HydrophobicContact CG-CZ 3.6Å; F448-F453 HydrophobicContact CB-CE2 3.87Å; F448-F453 HydrophobicContact CB-CZ 4.12Å; F448-F453 HydrophobicContact CD1-CZ 4.46Å; F448-F453 HydrophobicContact CD2-CZ 4.23Å; F448-F453 HydrophobicContact CG-CE2 4.29Å; F448-F453 HydrophobicContact CG-CZ 4.04Å; I451-F453 HydrophobicContact CB-CE2 4.4Å; I451-F453 HydrophobicContact CG2-CD2 4.3Å; I451-F453 HydrophobicContact CG2-CE2 4.25Å; I451-F453 HydrophobicContact CG2-CG 4.46Å; I451-F453 HydrophobicContact CG2-CZ 4.37Å; I451-F453 PolarHBondContact O-N 3.06Å; F453-L456 HydrophobicContact CD1-CD2 4.11Å; F453-L456 HydrophobicContact CE1-CD2 4.26Å; F453-L456 WeakPolarHBondContact O-CB 3.49Å; F453-L456 PolarHBondContact O-N 3Å; F453-E457 WeakPolarHBondContact O-CB 3.38Å; F453-E457 WeakPolarHBondContact O-CG 3.43Å; F453-E457 PolarHBondContact O-N 2.82Å
454	K	89.8	Confident	93.9	Very high	84 Å²	84	60.4 Å²	60.4	37%	0.365	30%	0.304	S	S	.	.	H	α-helix	trans	-70.5	-36.2	176.6	-73.3	-75.5	165.7	-145.6	0	112.2	K139 N452 E457 A458	K139-K454 HydrophobicContact CD-CB 4.44Å; K139-K454 HydrophobicContact CD-CG 3.71Å; N452-K454 PolarHBondContact O-N 3.33Å; N452-K454 VanDerWaalsContact O-N 3.15Å; N452-K454 PolarHBondContact OD1-N 2.94Å; K454-E457 WeakPolarHBondContact CD-OE2 3.4Å; K454-E457 IonicContact NZ-OE2 3.66Å; K454-E457 PolarHBondContact NZ-OE2 3.38Å; K454-A458 WeakPolarHBondContact O-CB 3.32Å; K454-A458 PolarHBondContact O-N 3.31Å; K454-A458 VanDerWaalsContact O-N 3.15Å
455	R	92.8	Very high	93.9	Very high	70 Å²	70	55.6 Å²	55.6	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-72.3	-35.2	173.3	-68.2	-176.5	61.3	163.8	-0.6	111.4	N452 A458 N459 M460 L461	N452-R455 HydrophobicContact CB-CB 4.22Å; N452-R455 HydrophobicContact CB-CG 4.29Å; N452-R455 PolarHBondContact O-N 3.01Å; N452-R455 PolarHBondContact OD1-N 3.14Å; R455-A458 CarbonylContact O-C 3.24Å; R455-A458 PolarHBondContact O-N 2.94Å; R455-N459 PolarHBondContact O-N 3Å; R455-M460 HydrophobicContact CB-CB 4.22Å; R455-M460 WeakPolarHBondContact O-CB 3.33Å; R455-M460 PolarHBondContact O-N 2.88Å; R455-L461 HydrophobicContact CB-CD2 3.97Å; R455-L461 HydrophobicContact CB-CG 4.14Å
456	L	94.8	Very high	93.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-50.8	172	-171.3	70.5	0	0	0	110.9	F245 F290 A293 E294 I451 N452 F453 A458 N459 L461	F245-L456 HydrophobicContact CZ-CG 4.38Å; F290-L456 HydrophobicContact CE2-CD1 3.9Å; F290-L456 HydrophobicContact CZ-CD1 3.86Å; A293-L456 HydrophobicContact CB-CD2 3.61Å; E294-L456 HydrophobicContact CG-CD1 3.82Å; E294-L456 HydrophobicContact CG-CD2 4.15Å; E294-L456 HydrophobicContact CG-CG 4.19Å; I451-L456 HydrophobicContact CG2-CB 4.5Å; I451-L456 HydrophobicContact CG2-CD2 4.15Å; N452-L456 PolarHBondContact O-N 3.39Å; F453-L456 HydrophobicContact CD1-CD2 4.11Å; F453-L456 HydrophobicContact CE1-CD2 4.26Å; F453-L456 WeakPolarHBondContact O-CB 3.49Å; F453-L456 PolarHBondContact O-N 3Å; L456-A458 PolarHBondContact O-N 3.1Å; L456-N459 WeakPolarHBondContact O-CA 3.49Å; L456-N459 PolarHBondContact O-N 2.96Å; L456-L461 HydrophobicContact CB-CD1 3.95Å; L456-L461 HydrophobicContact CD1-CB 4.35Å; L456-L461 HydrophobicContact CD1-CD1 4.05Å
457	E	93.7	Very high	93.6	Very high	43 Å²	43	57.7 Å²	57.7	20%	0.201	29%	0.288	C	S	.	.	H	α-helix	trans	-56.4	-31.7	176.6	-75.6	163.8	-169.3	0	0	112.7	F245 K443 F453 K454 N459	F245-E457 HydrophobicContact CE2-CG 4.24Å; K443-E457 IonicContact NZ-OE1 2.74Å; K443-E457 PolarHBondContact NZ-OE1 3.05Å; F453-E457 WeakPolarHBondContact O-CB 3.38Å; F453-E457 WeakPolarHBondContact O-CG 3.43Å; F453-E457 PolarHBondContact O-N 2.82Å; K454-E457 WeakPolarHBondContact CD-OE2 3.4Å; K454-E457 IonicContact NZ-OE2 3.66Å; K454-E457 PolarHBondContact NZ-OE2 3.38Å; E457-N459 VanDerWaalsContact C-N 3.33Å
458	A	90.6	Very high	93.3	Very high	44 Å²	44	60.7 Å²	60.7	36%	0.364	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	6.4	175.2	0	0	0	0	0	114.4	L92 K454 R455 L456 M460	L92-A458 HydrophobicContact CD2-CB 3.61Å; K454-A458 WeakPolarHBondContact O-CB 3.32Å; K454-A458 PolarHBondContact O-N 3.31Å; K454-A458 VanDerWaalsContact O-N 3.15Å; R455-A458 CarbonylContact O-C 3.24Å; R455-A458 PolarHBondContact O-N 2.94Å; L456-A458 PolarHBondContact O-N 3.1Å; A458-M460 HydrophobicContact CB-CG 3.87Å; A458-M460 HydrophobicContact CB-SD 4.15Å; A458-M460 PolarHBondContact O-N 3.07Å
459	N	91.4	Very high	92.8	Very high	40 Å²	40	65 Å²	65	21%	0.214	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	36.1	-175.4	-60.7	-49.9	0	0	0	113.9	R455 L456 E457	R455-N459 PolarHBondContact O-N 3Å; L456-N459 WeakPolarHBondContact O-CA 3.49Å; L456-N459 PolarHBondContact O-N 2.96Å; E457-N459 VanDerWaalsContact C-N 3.33Å
460	M	92.3	Very high	92.5	Very high	88 Å²	88	65.9 Å²	65.9	43%	0.433	34%	0.336	S	S	.	.			trans	-99.3	3.1	-179.8	-62	-175.5	75.6	0	0	113.8	L92 R455 A458	L92-M460 HydrophobicContact CB-SD 4.3Å; L92-M460 HydrophobicContact CD1-SD 4.03Å; L92-M460 HydrophobicContact CD2-SD 4.22Å; L92-M460 HydrophobicContact CG-SD 4.42Å; R455-M460 HydrophobicContact CB-CB 4.22Å; R455-M460 WeakPolarHBondContact O-CB 3.33Å; R455-M460 PolarHBondContact O-N 2.88Å; A458-M460 HydrophobicContact CB-CG 3.87Å; A458-M460 HydrophobicContact CB-SD 4.15Å; A458-M460 PolarHBondContact O-N 3.07Å
461	L	93.6	Very high	92.4	Very high	36 Å²	36	60.1 Å²	60.1	19%	0.188	31%	0.309	C	S	.	.	S	Bend	trans	-103.7	130.7	172.4	-59.1	-174.2	0	0	0	108.4	F290 H324 I451 R455 L456	F290-L461 HydrophobicContact CE2-CB 3.96Å; F290-L461 HydrophobicContact CZ-CB 4.47Å; H324-L461 PolarHBondContact CE1-O 3.47Å; H324-L461 VanDerWaalsContact CE1-O 3.31Å; I451-L461 HydrophobicContact CG2-CD1 4.22Å; R455-L461 HydrophobicContact CB-CD2 3.97Å; R455-L461 HydrophobicContact CB-CG 4.14Å; L456-L461 HydrophobicContact CB-CD1 3.95Å; L456-L461 HydrophobicContact CD1-CB 4.35Å; L456-L461 HydrophobicContact CD1-CD1 4.05Å
462	D	94.4	Very high	92.1	Very high	136 Å²	136	60 Å²	60	73%	0.727	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-75.2	129.2	179	-65.7	-46.3	0	0	0	110.2
463	P	96	Very high	91.8	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.071	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.7	143.3	175.4	-26.2	37.4	0	0	0	111.9	F290 R322 F465	F290-P463 HydrophobicContact CD1-CB 4.47Å; F290-P463 HydrophobicContact CE1-CB 3.84Å; F290-P463 HydrophobicContact CE1-CG 3.93Å; F290-P463 HydrophobicContact CZ-CB 4.15Å; F290-P463 HydrophobicContact CZ-CG 3.99Å; R322-P463 WeakPolarHBondContact O-CG 3.43Å; P463-F465 PolarHBondContact O-N 3.38Å; P463-F465 VanDerWaalsContact O-N 3.17Å
464	P	95.7	Very high	91.1	Very high	57 Å²	57	59.9 Å²	59.9	37%	0.37	31%	0.31	S	S	.	.	S	Bend	trans	-70.3	-10.4	179.1	26.7	-32.4	0	0	0	113.3	R287 F290	R287-P464 HydrophobicContact CB-CG 4.06Å; R287-P464 HydrophobicContact CG-CG 4.21Å; F290-P464 HydrophobicContact CB-CG 3.87Å; F290-P464 HydrophobicContact CD1-CG 4.47Å; F290-P464 VanDerWaalsContact CG-CD 3.46Å; F290-P464 HydrophobicContact CG-CG 4.1Å
465	F	95.2	Very high	90.8	Very high	43 Å²	43	62.7 Å²	62.7	19%	0.189	32%	0.323	C	S	.	.			trans	-139.4	129.1	176.8	170.3	-90.2	0	0	0	110	H274 M278 L319 G323 P463 P467	H274-F465 AromaticContact CE1-CE1 3.37Å; H274-F465 WeakPolarHBondContact CE1-CE1 3.35Å; H274-F465 AromaticContact CE1-CZ 3.77Å; H274-F465 AromaticContact ND1-CE1 3.75Å; M278-F465 HydrophobicContact CE-CE2 3.67Å; M278-F465 HydrophobicContact CE-CZ 3.64Å; M278-F465 HydrophobicContact SD-CZ 4.21Å; L319-F465 HydrophobicContact CD2-CD1 4.06Å; L319-F465 HydrophobicContact CD2-CE1 4.2Å; G323-F465 WeakPolarHBondContact CA-O 3.36Å; P463-F465 PolarHBondContact O-N 3.38Å; P463-F465 VanDerWaalsContact O-N 3.17Å; F465-P467 HydrophobicContact CD1-CG 4.49Å; F465-P467 HydrophobicContact CE1-CB 4.24Å; F465-P467 HydrophobicContact CE1-CG 3.86Å
466	I	95.1	Very high	90.3	Very high	115 Å²	115	63 Å²	63	59%	0.59	33%	0.329	S	S	*	.			trans	-114	123	176.2	-61	167.1	0	0	0	107.8
467	P	93.6	Very high	89.6	Confident	6 Å²	6	65 Å²	65	4%	0.039	34%	0.342	C	S	.	.			trans	-60.8	147.5	175.1	-20.8	31	0	0	0	112.7	L319 D320 F465 P469 Y473	L319-P467 HydrophobicContact CB-CG 4.49Å; L319-P467 HydrophobicContact CD2-CG 4.35Å; D320-P467 WeakPolarHBondContact O-CG 3.44Å; F465-P467 HydrophobicContact CD1-CG 4.49Å; F465-P467 HydrophobicContact CE1-CB 4.24Å; F465-P467 HydrophobicContact CE1-CG 3.86Å; P467-P469 WeakPolarHBondContact O-CD 3.49Å; P467-Y473 HydrophobicContact CB-CD2 4.23Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å
468	D	91.6	Very high	89	Confident	81 Å²	81	67.1 Å²	67.1	43%	0.433	35%	0.354	S	S	.	.			trans	-69.6	119.8	173.1	-179.5	-9.3	0	0	0	109.7	R470 A471 Y473	D468-R470 PolarHBondContact O-N 3.5Å; D468-R470 VanDerWaalsContact O-N 3.12Å; D468-R470 WeakPolarHBondContact OD1-CB 3.41Å; D468-R470 PolarHBondContact OD1-N 2.94Å; D468-A471 HydrophobicContact CB-CB 3.93Å; D468-A471 WeakPolarHBondContact O-CB 3.13Å; D468-A471 PolarHBondContact O-N 3.45Å; D468-Y473 PolarHBondContact N-OH 3.44Å
469	P	86.8	Confident	88.6	Confident	95 Å²	95	70.1 Å²	70.1	62%	0.617	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19	-179.3	26	-35.6	0	0	0	113.7	L13 P467	L13-P469 WeakPolarHBondContact CD2-O 3.37Å; P467-P469 WeakPolarHBondContact O-CD 3.49Å
470	R	87.4	Confident	88.1	Confident	193 Å²	193	69.3 Å²	69.3	73%	0.728	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.9	177.2	-61.6	178.8	175.7	169	1.2	112.9	L13 D468	L13-R470 WeakPolarHBondContact CD1-O 3.35Å; D468-R470 PolarHBondContact O-N 3.5Å; D468-R470 VanDerWaalsContact O-N 3.12Å; D468-R470 WeakPolarHBondContact OD1-CB 3.41Å; D468-R470 PolarHBondContact OD1-N 2.94Å
471	A	86.9	Confident	87.4	Confident	28 Å²	28	72 Å²	72	23%	0.231	37%	0.371	C	S	.	.			trans	-90.6	151.5	178.5	0	0	0	0	0	111.8	R16 D468 Y473	R16-A471 PolarHBondContact NH1-O 2.65Å; D468-A471 HydrophobicContact CB-CB 3.93Å; D468-A471 WeakPolarHBondContact O-CB 3.13Å; D468-A471 PolarHBondContact O-N 3.45Å; A471-Y473 HydrophobicContact CB-CD2 4.21Å; A471-Y473 HydrophobicContact CB-CE1 4.48Å; A471-Y473 HydrophobicContact CB-CE2 3.6Å
472	V	86.7	Confident	86.6	Confident	31 Å²	31	78.9 Å²	78.9	19%	0.188	40%	0.402	C	S	.	.			trans	-115.5	104.4	170.4	-175.9	0	0	0	0	107.8	L12 L13 C474	L12-V472 HydrophobicContact CD2-CG1 4.49Å; L13-V472 HydrophobicContact CD2-CG2 4.06Å; L13-V472 HydrophobicContact CG-CG2 4.27Å; V472-C474 VanDerWaalsContact CG1-SG 3.58Å; V472-C474 PolarHBondContact O-N 3.34Å
473	Y	84.9	Confident	85.7	Confident	28 Å²	28	75 Å²	75	11%	0.11	38%	0.378	C	S	.	.			trans	-82	54.8	-176	-65.1	-86.2	0	0	0	112.5	G268 G269 F273 M278 P467 D468 A471	G268-Y473 VanDerWaalsContact O-CB 3.27Å; G268-Y473 WeakPolarHBondContact O-CB 3.38Å; G269-Y473 WeakPolarHBondContact CA-O 3.36Å; F273-Y473 HydrophobicContact CD1-CD1 4.11Å; F273-Y473 AromaticContact CE1-CD1 3.78Å; F273-Y473 HydrophobicContact CE1-CD1 3.78Å; M278-Y473 HydrophobicContact CE-CE1 4.47Å; M278-Y473 HydrophobicContact SD-CE1 4.09Å; P467-Y473 HydrophobicContact CB-CD2 4.23Å; P467-Y473 HydrophobicContact CB-CE2 3.54Å; D468-Y473 PolarHBondContact N-OH 3.44Å; A471-Y473 HydrophobicContact CB-CD2 4.21Å; A471-Y473 HydrophobicContact CB-CE1 4.48Å; A471-Y473 HydrophobicContact CB-CE2 3.6Å
474	C	80.4	Confident	84.9	Confident	28 Å²	28	79.3 Å²	79.3	19%	0.189	41%	0.409	C	S	.	.	S	Bend	trans	-150.1	168.6	170.9	66.7	0	0	0	0	111.1	R190 L192 V472	R190-C474 VanDerWaalsContact CZ-SG 3.56Å; R190-C474 PolarHBondContact NH2-SG 3.39Å; L192-C474 WeakPolarHBondContact O-CB 3.35Å; V472-C474 VanDerWaalsContact CG1-SG 3.58Å; V472-C474 PolarHBondContact O-N 3.34Å
475	K	81.9	Confident	84.3	Confident	144 Å²	144	82 Å²	82	63%	0.626	43%	0.425	S	S	*	.			trans	-60.4	156.5	178.7	-64.9	-176.6	178.8	-177.2	0	111.7	R190 D479 I480	R190-K475 PolarHBondContact NH2-O 3.28Å; K475-D479 HydrophobicContact CB-CB 4.3Å; K475-I480 HydrophobicContact CB-CG1 4.26Å
476	D	83.4	Confident	83.9	Confident	76 Å²	76	81 Å²	81	41%	0.406	42%	0.422	S	S	.	.			trans	-60.8	146.6	171.4	-75	-18.4	0	0	0	111.1	N5 L478 D479 I480	N5-D476 PolarHBondContact ND2-OD1 2.88Å; D476-L478 PolarHBondContact O-N 3.4Å; D476-D479 WeakPolarHBondContact O-CB 3.4Å; D476-D479 PolarHBondContact O-N 3.21Å; D476-I480 PolarHBondContact O-N 3.34Å
477	V	80.8	Confident	83.5	Confident	43 Å²	43	83.8 Å²	83.8	26%	0.261	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-55.5	-33.7	-173.3	176.2	0	0	0	0	112.2	N5 A8 R190 I480	N5-V477 PolarHBondContact OD1-N 3.11Å; A8-V477 HydrophobicContact CB-CG2 4.34Å; R190-V477 HydrophobicContact CB-CG2 4.39Å; V477-I480 PolarHBondContact O-N 2.89Å
478	L	79.6	Confident	83.3	Confident	86 Å²	86	87.5 Å²	87.5	45%	0.45	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-77.7	-24.4	180	-60.9	174.3	0	0	0	113.2	M1 D476 I480	M1-L478 HydrophobicContact CG-CD1 3.55Å; D476-L478 PolarHBondContact O-N 3.4Å; L478-I480 VanDerWaalsContact C-N 3.28Å
479	D	82.4	Confident	83.3	Confident	108 Å²	108	84.7 Å²	84.7	58%	0.578	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-82.9	-8.2	176.1	-68.1	-24.4	0	0	0	112.5	K475 D476 E481	K475-D479 HydrophobicContact CB-CB 4.3Å; D476-D479 WeakPolarHBondContact O-CB 3.4Å; D476-D479 PolarHBondContact O-N 3.21Å; D479-E481 PolarHBondContact O-N 3.42Å
480	I	80.3	Confident	83.5	Confident	22 Å²	22	86.6 Å²	86.6	11%	0.113	46%	0.46	C	S	.	.	S	Bend	trans	-79.7	102.2	172	-58	175.3	0	0	0	107.4	V191 K194 K475 D476 V477 L478 Q482	V191-I480 HydrophobicContact CB-CD1 4.25Å; V191-I480 HydrophobicContact CG1-CD1 3.85Å; V191-I480 HydrophobicContact CG1-CG2 4.2Å; K194-I480 HydrophobicContact CB-CG2 4.03Å; K475-I480 HydrophobicContact CB-CG1 4.26Å; D476-I480 PolarHBondContact O-N 3.34Å; V477-I480 PolarHBondContact O-N 2.89Å; L478-I480 VanDerWaalsContact C-N 3.28Å; I480-Q482 PolarHBondContact O-N 3.4Å
481	E	78.7	Confident	83.7	Confident	145 Å²	145	80.6 Å²	80.6	68%	0.678	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-48.3	121.7	-179	-69.1	179.3	-179.2	0	0	112.8	K194 D479	K194-E481 HydrophobicContact CD-CB 4.17Å; K194-E481 WeakPolarHBondContact CD-O 3.13Å; K194-E481 WeakPolarHBondContact CE-O 3.45Å; K194-E481 PolarHBondContact NZ-O 3.15Å; K194-E481 IonicContact NZ-OE2 3.76Å; K194-E481 PolarHBondContact NZ-OE2 3.13Å; D479-E481 PolarHBondContact O-N 3.42Å
482	Q	77.3	Confident	83.9	Confident	181 Å²	181	82.5 Å²	82.5	85%	0.846	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-73.8	146.5	174.4	-64.9	-176.1	1	0	0	111.4	I480	I480-Q482 PolarHBondContact O-N 3.4Å
483	F	74.1	Confident	84	Confident	53 Å²	53	86.1 Å²	86.1	23%	0.232	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-80	140.7	171.8	-80.3	-65.9	0	0	0	111.4	K194 G195 R221 T485	K194-F483 HydrophobicContact CD-CE2 4.04Å; K194-F483 HydrophobicContact CD-CZ 4.07Å; K194-F483 HydrophobicContact CG-CD2 4.33Å; K194-F483 HydrophobicContact CG-CE2 3.56Å; K194-F483 HydrophobicContact CG-CZ 3.88Å; G195-F483 VanDerWaalsContact O-CZ 3.23Å; G195-F483 WeakPolarHBondContact O-CZ 3.34Å; R221-F483 VanDerWaalsContact CZ-CD1 3.48Å; R221-F483 VanDerWaalsContact CZ-CG 3.48Å; R221-F483 VanDerWaalsContact NH2-CB 3.29Å; F483-T485 PolarHBondContact O-N 3.46Å
484	S	80.4	Confident	84.1	Confident	102 Å²	102	90 Å²	90	71%	0.713	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-61.8	137.8	165.4	-36.5	0	0	0	0	110	R221 V486	R221-S484 PolarHBondContact NH2-O 2.98Å; S484-V486 PolarHBondContact O-N 2.75Å
485	T	82.9	Confident	84.6	Confident	114 Å²	114	89.1 Å²	89.1	70%	0.699	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-57.9	131.9	175.2	51.5	0	0	0	0	110.9	F483 K487	F483-T485 PolarHBondContact O-N 3.46Å; T485-K487 PolarHBondContact O-N 3.09Å
486	V	85.9	Confident	85	Confident	21 Å²	21	86.9 Å²	86.9	13%	0.127	49%	0.487	C	S	.	.			trans	-77.9	107.4	176.9	-176.4	0	0	0	0	109.8	K220 R221 K224 S484 V489	K220-V486 HydrophobicContact CB-CB 4.07Å; K220-V486 HydrophobicContact CB-CG1 4.12Å; R221-V486 HydrophobicContact CB-CG2 4.15Å; K224-V486 HydrophobicContact CB-CG1 4.28Å; K224-V486 HydrophobicContact CD-CG1 3.72Å; S484-V486 PolarHBondContact O-N 2.75Å; V486-V489 HydrophobicContact CG1-CB 4.07Å; V486-V489 HydrophobicContact CG1-CG2 3.64Å
487	K	87.2	Confident	85.3	Confident	174 Å²	174	87.4 Å²	87.4	76%	0.757	49%	0.49	S	S	*	.			trans	-94.5	154.8	172.9	-62.6	-175	-179.9	-177.9	0	111	T485 V489	T485-K487 PolarHBondContact O-N 3.09Å; K487-V489 VanDerWaalsContact C-N 3.35Å; K487-V489 PolarHBondContact O-N 3.17Å
488	G	88.9	Confident	85.9	Confident	84 Å²	84	86.3 Å²	86.3	87%	0.866	48%	0.482	S	S	*	.	S	Bend	trans	75.3	16.7	173.7	0	0	0	0	0	115.5
489	V	91.6	Very high	86.5	Confident	23 Å²	23	82.5 Å²	82.5	14%	0.139	46%	0.462	C	S	.	.			trans	-120.7	118.7	176.6	-179.6	0	0	0	0	108.9	K220 K223 K224 V486 K487	K220-V489 HydrophobicContact CB-CB 4.45Å; K220-V489 HydrophobicContact CB-CG1 4.33Å; K223-V489 HydrophobicContact CB-CG1 4.14Å; K223-V489 HydrophobicContact CD-CG1 3.92Å; K223-V489 HydrophobicContact CG-CG1 4.12Å; K224-V489 HydrophobicContact CB-CG2 4.14Å; K224-V489 HydrophobicContact CD-CG2 4.48Å; K224-V489 HydrophobicContact CG-CG2 4.49Å; V486-V489 HydrophobicContact CG1-CB 4.07Å; V486-V489 HydrophobicContact CG1-CG2 3.64Å; K487-V489 VanDerWaalsContact C-N 3.35Å; K487-V489 PolarHBondContact O-N 3.17Å
490	N	91.5	Very high	87	Confident	135 Å²	135	80.9 Å²	80.9	72%	0.722	46%	0.459	S	S	*	.			trans	-104	138.2	173.7	-65.4	-30.8	0	0	0	109.1	K223	K223-N490 PolarHBondContact NZ-O 3.1Å
491	L	92.1	Very high	87.7	Confident	67 Å²	67	84.7 Å²	84.7	35%	0.351	48%	0.475	S	S	.	.			trans	-82.3	138.9	169.4	-54.6	-177.9	0	0	0	107.6	K219 K220 K223 D495 Y499	K219-L491 HydrophobicContact CB-CD1 3.89Å; K219-L491 HydrophobicContact CB-CD2 4.28Å; K219-L491 HydrophobicContact CD-CD1 3.96Å; K220-L491 HydrophobicContact CG-CD2 4.3Å; K220-L491 HydrophobicContact CG-CG 4.5Å; K223-L491 HydrophobicContact CD-CD2 4.07Å; L491-D495 WeakPolarHBondContact CA-OD2 3.19Å; L491-Y499 WeakPolarHBondContact CD2-OH 3.49Å
492	D	90	Very high	88.5	Confident	67 Å²	67	77.8 Å²	77.8	36%	0.358	44%	0.442	S	S	.	.			trans	-131.8	168.6	-177.8	67.7	55.2	0	0	0	110.1	K223 T494 D495	K223-D492 VanDerWaalsContact NZ-CG 3.33Å; K223-D492 IonicContact NZ-OD1 2.9Å; K223-D492 IonicContact NZ-OD2 3.66Å; K223-D492 PolarHBondContact NZ-OD2 2.65Å; D492-T494 PolarHBondContact O-N 3Å; D492-T494 VanDerWaalsContact OD1-CB 3.31Å; D492-T494 WeakPolarHBondContact OD1-CB 3.35Å; D492-T494 PolarHBondContact OD1-N 3.18Å; D492-T494 PolarHBondContact OD1-OG1 3.14Å; D492-D495 PolarHBondContact N-OD2 2.95Å; D492-D495 VanDerWaalsContact O-CB 3.31Å; D492-D495 WeakPolarHBondContact O-CB 3.27Å; D492-D495 PolarHBondContact O-N 3.34Å
493	P	89.8	Confident	89.4	Confident	108 Å²	108	71.4 Å²	71.4	70%	0.701	42%	0.415	S	S	*	.	H	α-helix	trans	-60.4	-17.9	-174.6	-26.8	36.3	0	0	0	115.4	D495 D496	P493-D495 PolarHBondContact O-N 2.9Å; P493-D496 PolarHBondContact O-N 2.65Å
494	T	87	Confident	90.5	Very high	109 Å²	109	72.2 Å²	72.2	67%	0.669	43%	0.425	S	S	*	.	H	α-helix	trans	-71.1	-23.1	175.5	70.3	0	0	0	0	111.9	D492 D496	D492-T494 PolarHBondContact O-N 3Å; D492-T494 VanDerWaalsContact OD1-CB 3.31Å; D492-T494 WeakPolarHBondContact OD1-CB 3.35Å; D492-T494 PolarHBondContact OD1-N 3.18Å; D492-T494 PolarHBondContact OD1-OG1 3.14Å; T494-D496 VanDerWaalsContact C-N 3.31Å
495	D	91.3	Very high	91.3	Very high	10 Å²	10	67.9 Å²	67.9	5%	0.053	40%	0.396	C	S	.	.	H	α-helix	trans	-72.1	-25.8	175.3	-57.4	-58.9	0	0	0	112.1	K223 L491 D492 P493 D497 F498 Y499	K223-D495 WeakPolarHBondContact CD-OD1 3.42Å; K223-D495 WeakPolarHBondContact CE-OD1 3.4Å; K223-D495 IonicContact NZ-OD1 2.8Å; K223-D495 PolarHBondContact NZ-OD1 2.85Å; K223-D495 IonicContact NZ-OD2 3.85Å; K223-D495 PolarHBondContact NZ-OD2 2.83Å; L491-D495 WeakPolarHBondContact CA-OD2 3.19Å; D492-D495 PolarHBondContact N-OD2 2.95Å; D492-D495 VanDerWaalsContact O-CB 3.31Å; D492-D495 WeakPolarHBondContact O-CB 3.27Å; D492-D495 PolarHBondContact O-N 3.34Å; P493-D495 PolarHBondContact O-N 2.9Å; D495-D497 PolarHBondContact O-N 3.28Å; D495-F498 WeakPolarHBondContact O-CB 3.35Å; D495-F498 PolarHBondContact O-N 3.16Å; D495-Y499 HydrophobicContact CB-CD2 4.38Å; D495-Y499 HydrophobicContact CB-CE1 4.33Å; D495-Y499 HydrophobicContact CB-CE2 3.63Å; D495-Y499 WeakPolarHBondContact O-CD1 3.4Å; D495-Y499 WeakPolarHBondContact O-CD2 3.41Å; D495-Y499 VanDerWaalsContact O-CG 3.24Å; D495-Y499 PolarHBondContact O-N 3.21Å
496	D	89.9	Confident	92	Very high	96 Å²	96	63.5 Å²	63.5	51%	0.513	37%	0.37	S	S	.	.	H	α-helix	trans	-68.7	-33.2	-175.2	-68.2	-26.1	0	0	0	112.4	P493 T494 F498 Y499 S500	P493-D496 PolarHBondContact O-N 2.65Å; T494-D496 VanDerWaalsContact C-N 3.31Å; D496-F498 VanDerWaalsContact C-N 3.33Å; D496-F498 PolarHBondContact O-N 3.19Å; D496-Y499 PolarHBondContact O-N 3.4Å; D496-S500 WeakPolarHBondContact O-CB 3.48Å; D496-S500 PolarHBondContact O-N 3.39Å; D496-S500 PolarHBondContact O-OG 3.49Å
497	D	90.2	Very high	92.5	Very high	87 Å²	87	63.3 Å²	63.3	47%	0.465	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-43.9	172.3	173.2	66.9	0	0	0	110.8	D495 S500 K501	D495-D497 PolarHBondContact O-N 3.28Å; D497-S500 PolarHBondContact O-N 2.85Å; D497-S500 PolarHBondContact O-OG 3.39Å; D497-K501 VanDerWaalsContact CG-NZ 3.28Å; D497-K501 WeakPolarHBondContact O-CG 3.46Å; D497-K501 PolarHBondContact O-N 3.45Å; D497-K501 WeakPolarHBondContact OD1-CE 3.32Å; D497-K501 IonicContact OD1-NZ 2.7Å; D497-K501 PolarHBondContact OD1-NZ 3.48Å; D497-K501 VanDerWaalsContact OD1-NZ 3.14Å; D497-K501 WeakPolarHBondContact OD2-CE 3.42Å; D497-K501 IonicContact OD2-NZ 3.04Å; D497-K501 PolarHBondContact OD2-NZ 3.06Å
498	F	91.9	Very high	93	Very high	21 Å²	21	56.2 Å²	56.2	9%	0.092	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-44.2	174.6	162.2	-116.1	0	0	0	112	V222 E228 A231 L232 L259 D495 D496 K501 F502	V222-F498 HydrophobicContact CG1-CE1 4.13Å; V222-F498 HydrophobicContact CG1-CZ 4.29Å; E228-F498 HydrophobicContact CB-CD1 4.24Å; E228-F498 HydrophobicContact CB-CD2 3.88Å; E228-F498 HydrophobicContact CB-CE1 4.16Å; E228-F498 HydrophobicContact CB-CE2 3.81Å; E228-F498 HydrophobicContact CB-CG 4.11Å; E228-F498 HydrophobicContact CB-CZ 3.96Å; E228-F498 HydrophobicContact CG-CD1 3.89Å; E228-F498 HydrophobicContact CG-CD2 4.42Å; E228-F498 HydrophobicContact CG-CE1 3.93Å; E228-F498 HydrophobicContact CG-CE2 4.46Å; E228-F498 HydrophobicContact CG-CG 4.15Å; E228-F498 HydrophobicContact CG-CZ 4.24Å; E228-F498 VanDerWaalsContact O-CE2 3.26Å; E228-F498 WeakPolarHBondContact O-CE2 3.4Å; A231-F498 HydrophobicContact CB-CZ 4.19Å; L232-F498 HydrophobicContact CB-CE2 4.16Å; L259-F498 HydrophobicContact CD1-CD1 4.48Å; L259-F498 HydrophobicContact CD1-CE1 3.46Å; L259-F498 VanDerWaalsContact CD1-CE1 3.46Å; L259-F498 HydrophobicContact CD1-CZ 3.52Å; D495-F498 WeakPolarHBondContact O-CB 3.35Å; D495-F498 PolarHBondContact O-N 3.16Å; D496-F498 VanDerWaalsContact C-N 3.33Å; D496-F498 PolarHBondContact O-N 3.19Å; F498-K501 PolarHBondContact O-N 3.33Å; F498-F502 PolarHBondContact O-N 2.98Å; F498-F502 VanDerWaalsContact O-N 3.13Å
499	Y	93.4	Very high	93.4	Very high	6 Å²	6	54 Å²	54	2%	0.024	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-43.1	178.5	-58.1	-25.3	0	0	0	111.9	K219 L259 L491 D495 D496 K501 F502 V503	K219-Y499 HydrophobicContact CD-CD2 4.47Å; K219-Y499 HydrophobicContact CD-CE1 4.03Å; K219-Y499 HydrophobicContact CD-CE2 3.82Å; K219-Y499 HydrophobicContact CG-CE1 3.93Å; L259-Y499 HydrophobicContact CD1-CD1 4.1Å; L259-Y499 HydrophobicContact CD1-CE1 4.33Å; L259-Y499 HydrophobicContact CD2-CD1 3.77Å; L259-Y499 HydrophobicContact CD2-CE1 4.4Å; L259-Y499 HydrophobicContact CD2-CG 4.32Å; L259-Y499 HydrophobicContact CG-CD1 4.29Å; L491-Y499 WeakPolarHBondContact CD2-OH 3.49Å; D495-Y499 HydrophobicContact CB-CD2 4.38Å; D495-Y499 HydrophobicContact CB-CE1 4.33Å; D495-Y499 HydrophobicContact CB-CE2 3.63Å; D495-Y499 WeakPolarHBondContact O-CD1 3.4Å; D495-Y499 WeakPolarHBondContact O-CD2 3.41Å; D495-Y499 VanDerWaalsContact O-CG 3.24Å; D495-Y499 PolarHBondContact O-N 3.21Å; D496-Y499 PolarHBondContact O-N 3.4Å; Y499-K501 VanDerWaalsContact C-N 3.31Å; Y499-K501 PolarHBondContact O-N 2.91Å; Y499-F502 WeakPolarHBondContact O-CB 3.43Å; Y499-F502 PolarHBondContact O-N 3.13Å; Y499-V503 VanDerWaalsContact O-CG2 3.28Å; Y499-V503 WeakPolarHBondContact O-CG2 3.5Å; Y499-V503 PolarHBondContact O-N 2.95Å
500	S	92.8	Very high	93.7	Very high	74 Å²	74	53.8 Å²	53.8	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-61.8	-37.3	178.1	73.8	0	0	0	0	112.7	D496 D497 F502	D496-S500 WeakPolarHBondContact O-CB 3.48Å; D496-S500 PolarHBondContact O-N 3.39Å; D496-S500 PolarHBondContact O-OG 3.49Å; D497-S500 PolarHBondContact O-N 2.85Å; D497-S500 PolarHBondContact O-OG 3.39Å; S500-F502 VanDerWaalsContact C-N 3.31Å; S500-F502 PolarHBondContact O-N 3.44Å
501	K	94.6	Very high	94	Very high	102 Å²	102	47.9 Å²	47.9	44%	0.443	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-28.6	174.8	-71.7	168.3	-178.3	166.4	0	112.9	L232 D497 F498 Y499	L232-K501 HydrophobicContact CD1-CB 4.22Å; L232-K501 HydrophobicContact CD2-CB 4.43Å; D497-K501 VanDerWaalsContact CG-NZ 3.28Å; D497-K501 WeakPolarHBondContact O-CG 3.46Å; D497-K501 PolarHBondContact O-N 3.45Å; D497-K501 WeakPolarHBondContact OD1-CE 3.32Å; D497-K501 IonicContact OD1-NZ 2.7Å; D497-K501 PolarHBondContact OD1-NZ 3.48Å; D497-K501 VanDerWaalsContact OD1-NZ 3.14Å; D497-K501 WeakPolarHBondContact OD2-CE 3.42Å; D497-K501 IonicContact OD2-NZ 3.04Å; D497-K501 PolarHBondContact OD2-NZ 3.06Å; F498-K501 PolarHBondContact O-N 3.33Å; Y499-K501 VanDerWaalsContact C-N 3.31Å; Y499-K501 PolarHBondContact O-N 2.91Å
502	F	96.3	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-79.7	-42.8	179.1	-170.9	-82.8	0	0	0	111.9	L217 A231 K235 A252 L259 L261 F498 Y499 S500 T504	L217-F502 HydrophobicContact CD1-CE2 4.22Å; L217-F502 HydrophobicContact CD1-CZ 4.15Å; A231-F502 HydrophobicContact CB-CE2 4.32Å; K235-F502 HydrophobicContact CB-CD2 4.27Å; K235-F502 HydrophobicContact CB-CE2 3.95Å; K235-F502 VanDerWaalsContact CE-O 3.31Å; K235-F502 WeakPolarHBondContact CE-O 3.43Å; K235-F502 HydrophobicContact CG-CD2 4.39Å; K235-F502 HydrophobicContact CG-CE2 4.27Å; A252-F502 HydrophobicContact CB-CE1 4.39Å; L259-F502 HydrophobicContact CB-CD1 4Å; L259-F502 HydrophobicContact CB-CE1 3.64Å; L259-F502 HydrophobicContact CB-CE2 4.47Å; L259-F502 HydrophobicContact CB-CZ 3.87Å; L259-F502 HydrophobicContact CD1-CB 4.48Å; L259-F502 HydrophobicContact CD1-CD1 4.22Å; L259-F502 HydrophobicContact CD1-CD2 4.04Å; L259-F502 HydrophobicContact CD1-CE1 4.48Å; L259-F502 HydrophobicContact CD1-CE2 4.28Å; L259-F502 HydrophobicContact CD1-CG 3.99Å; L259-F502 HydrophobicContact CD1-CZ 4.47Å; L259-F502 HydrophobicContact CD2-CD1 3.97Å; L259-F502 HydrophobicContact CD2-CE1 4.46Å; L259-F502 HydrophobicContact CD2-CG 4.33Å; L259-F502 HydrophobicContact CG-CD1 4.29Å; L259-F502 HydrophobicContact CG-CE1 4.42Å; L261-F502 HydrophobicContact CD1-CZ 4.38Å; L261-F502 HydrophobicContact CD2-CE1 3.91Å; L261-F502 HydrophobicContact CD2-CE2 4.14Å; L261-F502 HydrophobicContact CD2-CZ 3.4Å; L261-F502 HydrophobicContact CG-CE1 4.46Å; L261-F502 HydrophobicContact CG-CZ 3.73Å; F498-F502 PolarHBondContact O-N 2.98Å; F498-F502 VanDerWaalsContact O-N 3.13Å; Y499-F502 WeakPolarHBondContact O-CB 3.43Å; Y499-F502 PolarHBondContact O-N 3.13Å; S500-F502 VanDerWaalsContact C-N 3.31Å; S500-F502 PolarHBondContact O-N 3.44Å; F502-T504 PolarHBondContact O-N 3.43Å; F502-T504 VanDerWaalsContact O-N 3.1Å; F502-T504 PolarHBondContact O-OG1 3.41Å
503	V	95.7	Very high	94.7	Very high	46 Å²	46	44.2 Å²	44.2	28%	0.279	26%	0.257	S	S	.	.			trans	-81.8	90.9	-172.1	178.6	0	0	0	0	110.8	E254 Y499	E254-V503 HydrophobicContact CB-CG2 3.63Å; E254-V503 HydrophobicContact CG-CG2 3.75Å; Y499-V503 VanDerWaalsContact O-CG2 3.28Å; Y499-V503 WeakPolarHBondContact O-CG2 3.5Å; Y499-V503 PolarHBondContact O-N 2.95Å
504	T	96.3	Very high	95	Very high	71 Å²	71	39 Å²	39	44%	0.436	22%	0.223	S	C	.	.			trans	-105.1	-4.7	-179.3	37.7	0	0	0	0	113.3	K235 E239 A252 F502	K235-T504 WeakPolarHBondContact CE-OG1 3.41Å; K235-T504 PolarHBondContact NZ-OG1 3.1Å; E239-T504 PolarHBondContact OE1-OG1 3.45Å; A252-T504 PolarHBondContact O-N 3.35Å; F502-T504 PolarHBondContact O-N 3.43Å; F502-T504 VanDerWaalsContact O-N 3.1Å; F502-T504 PolarHBondContact O-OG1 3.41Å
505	G	97.4	Very high	95.6	Very high	11 Å²	11	34 Å²	34	11%	0.113	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.9	-131.6	180	0	0	0	0	0	111.4	Y251 A252	Y251-G505 CarbonylContact C-O 3.38Å; Y251-G505 VanDerWaalsContact CA-O 3.22Å; Y251-G505 WeakPolarHBondContact CA-O 3.39Å; A252-G505 PolarHBondContact N-O 2.82Å; A252-G505 PolarHBondContact O-N 3.1Å
506	S	97.8	Very high	95.9	Very high	22 Å²	22	36.1 Å²	36.1	15%	0.154	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.7	-177.8	-44.9	0	0	0	0	111.5	E177 Y251	E177-S506 WeakPolarHBondContact O-CB 3.27Å; E177-S506 PolarHBondContact O-OG 2.96Å; Y251-S506 WeakPolarHBondContact CE1-OG 3.22Å
507	V	97.9	Very high	96.1	Very high	17 Å²	17	37 Å²	37	10%	0.103	20%	0.204	C	C	.	.			trans	-89.3	127.4	170.6	-174.9	0	0	0	0	108.9	E239 L249 A250 I509 P510 W511	E239-V507 HydrophobicContact CG-CG2 4Å; L249-V507 HydrophobicContact CB-CG2 4.41Å; L249-V507 HydrophobicContact CD2-CG2 3.97Å; L249-V507 HydrophobicContact CG-CG2 3.84Å; L249-V507 WeakPolarHBondContact O-CB 3.23Å; L249-V507 WeakPolarHBondContact O-CG2 3.49Å; A250-V507 PolarHBondContact O-N 3.12Å; V507-I509 PolarHBondContact O-N 3.23Å; V507-P510 HydrophobicContact CG1-CG 4.35Å; V507-P510 WeakPolarHBondContact O-CD 3.33Å; V507-W511 WeakPolarHBondContact O-CB 3.39Å; V507-W511 PolarHBondContact O-N 2.88Å
508	S	96.4	Very high	96.3	Very high	25 Å²	25	34.7 Å²	34.7	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-59.5	-55.9	-161.5	-173.8	0	0	0	0	114.7	Q60 K174 E177 W511 Q512	Q60-S508 PolarHBondContact OE1-OG 2.58Å; K174-S508 PolarHBondContact NZ-OG 3Å; E177-S508 VanDerWaalsContact CD-OG 3.27Å; E177-S508 WeakPolarHBondContact OE1-CB 3.45Å; E177-S508 PolarHBondContact OE1-OG 3.06Å; E177-S508 VanDerWaalsContact OE2-CA 3.22Å; E177-S508 WeakPolarHBondContact OE2-CA 3.37Å; E177-S508 VanDerWaalsContact OE2-CB 3.32Å; E177-S508 WeakPolarHBondContact OE2-CB 3.28Å; E177-S508 PolarHBondContact OE2-OG 3.45Å; S508-W511 PolarHBondContact O-N 3.5Å; S508-Q512 WeakPolarHBondContact O-CB 3.46Å; S508-Q512 VanDerWaalsContact O-CG 3.28Å; S508-Q512 WeakPolarHBondContact O-CG 3.39Å; S508-Q512 PolarHBondContact O-N 3.14Å; S508-Q512 PolarHBondContact OG-NE2 3.3Å; S508-Q512 VanDerWaalsContact OG-NE2 3.09Å
509	I	97.2	Very high	96.5	Very high	36 Å²	36	38.3 Å²	38.3	19%	0.185	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-50.9	-175.4	-64.2	171.5	0	0	0	111.2	K59 P61 V507 W511 Q512 N513	K59-I509 HydrophobicContact CB-CD1 4.35Å; P61-I509 HydrophobicContact CG-CG2 4.11Å; V507-I509 PolarHBondContact O-N 3.23Å; I509-W511 VanDerWaalsContact C-N 3.35Å; I509-W511 PolarHBondContact O-N 3.15Å; I509-Q512 PolarHBondContact O-N 3.18Å; I509-N513 PolarHBondContact O-N 3.02Å
510	P	97.9	Very high	96.7	Very high	19 Å²	19	38 Å²	38	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-65.6	-33.9	179.6	-26.1	39.8	0	0	0	113.9	L249 A250 V507 E514	L249-P510 WeakPolarHBondContact O-CG 3.49Å; A250-P510 HydrophobicContact CB-CB 4.03Å; V507-P510 HydrophobicContact CG1-CG 4.35Å; V507-P510 WeakPolarHBondContact O-CD 3.33Å; P510-E514 WeakPolarHBondContact O-CB 3.45Å; P510-E514 PolarHBondContact O-N 3.48Å
511	W	98.3	Very high	96.9	Very high	11 Å²	11	35.1 Å²	35.1	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-43.4	174.7	-176.5	92.5	0	0	0	111.9	I62 W173 L176 E177 Y251 V507 S508 I509 E514 M515	I62-W511 HydrophobicContact CD1-CZ3 4.24Å; W173-W511 AromaticContact CE3-CH2 3.96Å; W173-W511 HydrophobicContact CE3-CH2 3.96Å; W173-W511 HydrophobicContact CE3-CZ3 4.26Å; W173-W511 HydrophobicContact CZ3-CH2 4.39Å; L176-W511 HydrophobicContact CB-CH2 3.91Å; L176-W511 HydrophobicContact CB-CZ2 4.13Å; E177-W511 HydrophobicContact CB-CD2 3.98Å; E177-W511 HydrophobicContact CB-CE3 3.68Å; E177-W511 HydrophobicContact CB-CH2 4Å; E177-W511 HydrophobicContact CB-CZ2 4.26Å; E177-W511 HydrophobicContact CB-CZ3 3.7Å; E177-W511 HydrophobicContact CG-CB 4.48Å; E177-W511 HydrophobicContact CG-CD2 3.82Å; E177-W511 HydrophobicContact CG-CE3 3.69Å; E177-W511 HydrophobicContact CG-CG 4.16Å; E177-W511 HydrophobicContact CG-CZ3 4.24Å; Y251-W511 AromaticContact CE1-CD1 3.61Å; Y251-W511 AromaticContact CZ-CD1 3.73Å; Y251-W511 VanDerWaalsContact OH-CD1 3.28Å; V507-W511 WeakPolarHBondContact O-CB 3.39Å; V507-W511 PolarHBondContact O-N 2.88Å; S508-W511 PolarHBondContact O-N 3.5Å; I509-W511 VanDerWaalsContact C-N 3.35Å; I509-W511 PolarHBondContact O-N 3.15Å; W511-E514 WeakPolarHBondContact O-CB 3.38Å; W511-E514 PolarHBondContact O-N 2.87Å; W511-M515 HydrophobicContact CD2-CE 4.08Å; W511-M515 HydrophobicContact CD2-CG 4.2Å; W511-M515 HydrophobicContact CE3-CG 3.98Å; W511-M515 HydrophobicContact CG-CE 4.41Å; W511-M515 HydrophobicContact CH2-CG 3.78Å; W511-M515 HydrophobicContact CH2-SD 4.26Å; W511-M515 HydrophobicContact CZ2-CE 3.83Å; W511-M515 HydrophobicContact CZ2-CG 4.01Å; W511-M515 HydrophobicContact CZ2-SD 4.01Å; W511-M515 HydrophobicContact CZ3-CG 3.76Å; W511-M515 WeakPolarHBondContact O-CG 3.17Å; W511-M515 PolarHBondContact O-N 3.34Å
512	Q	98.6	Very high	96.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-41.9	177.4	-71.4	-177.4	28.1	0	0	111.8	P61 I62 E177 S508 I509 E514 M515 I516	P61-Q512 HydrophobicContact CB-CB 4.06Å; P61-Q512 HydrophobicContact CG-CB 4.03Å; P61-Q512 VanDerWaalsContact N-OE1 3.17Å; I62-Q512 HydrophobicContact CB-CB 4.36Å; I62-Q512 HydrophobicContact CB-CG 4.15Å; I62-Q512 HydrophobicContact CD1-CB 4.11Å; I62-Q512 HydrophobicContact CD1-CG 3.96Å; I62-Q512 HydrophobicContact CG1-CB 3.93Å; I62-Q512 HydrophobicContact CG1-CG 4.06Å; E177-Q512 PolarHBondContact OE2-NE2 3.45Å; S508-Q512 WeakPolarHBondContact O-CB 3.46Å; S508-Q512 VanDerWaalsContact O-CG 3.28Å; S508-Q512 WeakPolarHBondContact O-CG 3.39Å; S508-Q512 PolarHBondContact O-N 3.14Å; S508-Q512 PolarHBondContact OG-NE2 3.3Å; S508-Q512 VanDerWaalsContact OG-NE2 3.09Å; I509-Q512 PolarHBondContact O-N 3.18Å; Q512-E514 VanDerWaalsContact C-N 3.32Å; Q512-E514 PolarHBondContact O-N 3.45Å; Q512-M515 PolarHBondContact O-N 3.14Å; Q512-I516 WeakPolarHBondContact O-CG1 3.37Å; Q512-I516 PolarHBondContact O-N 3.05Å; Q512-I516 VanDerWaalsContact O-N 3.1Å
513	N	97.7	Very high	96.8	Very high	53 Å²	53	41 Å²	41	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-59.1	-42.5	172	-79.3	-25.9	0	0	0	111.6	P61 I509 M515 I516 E517	P61-N513 WeakPolarHBondContact CB-OD1 3.28Å; P61-N513 WeakPolarHBondContact CG-OD1 3.18Å; I509-N513 PolarHBondContact O-N 3.02Å; N513-M515 PolarHBondContact O-N 3.41Å; N513-I516 PolarHBondContact O-N 3.26Å; N513-E517 WeakPolarHBondContact O-CB 3.41Å; N513-E517 VanDerWaalsContact O-CG 3.24Å; N513-E517 WeakPolarHBondContact O-CG 3.39Å; N513-E517 PolarHBondContact O-N 2.88Å
514	E	97.5	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-46.7	172.8	170.4	-179.3	168.4	0	0	112.6	V205 T208 K210 Y212 Y251 P510 W511 Q512 I516 M518	V205-E514 WeakPolarHBondContact CB-OE1 3.4Å; V205-E514 WeakPolarHBondContact CG1-OE1 3.31Å; V205-E514 WeakPolarHBondContact CG2-OE1 3.46Å; T208-E514 VanDerWaalsContact CB-OE1 3.28Å; T208-E514 WeakPolarHBondContact CB-OE1 3.42Å; T208-E514 HydrophobicContact CG2-CG 3.98Å; T208-E514 WeakPolarHBondContact CG2-OE1 3.48Å; T208-E514 PolarHBondContact OG1-OE1 3.17Å; K210-E514 HydrophobicContact CB-CG 3.9Å; K210-E514 HydrophobicContact CD-CB 3.66Å; K210-E514 HydrophobicContact CD-CG 3.52Å; K210-E514 HydrophobicContact CG-CG 4.32Å; Y212-E514 WeakPolarHBondContact CE2-OE2 3.43Å; Y212-E514 PolarHBondContact OH-OE2 3.22Å; Y212-E514 VanDerWaalsContact OH-OE2 3.08Å; Y251-E514 WeakPolarHBondContact CE2-OE2 3.13Å; Y251-E514 VanDerWaalsContact OH-CD 3.26Å; Y251-E514 PolarHBondContact OH-OE1 3.14Å; Y251-E514 PolarHBondContact OH-OE2 3.12Å; P510-E514 WeakPolarHBondContact O-CB 3.45Å; P510-E514 PolarHBondContact O-N 3.48Å; W511-E514 WeakPolarHBondContact O-CB 3.38Å; W511-E514 PolarHBondContact O-N 2.87Å; Q512-E514 VanDerWaalsContact C-N 3.32Å; Q512-E514 PolarHBondContact O-N 3.45Å; E514-I516 PolarHBondContact O-N 3.41Å; E514-M518 HydrophobicContact CG-CG 4.35Å; E514-M518 VanDerWaalsContact O-CB 3.26Å; E514-M518 WeakPolarHBondContact O-CB 3.4Å; E514-M518 VanDerWaalsContact O-CG 3.28Å; E514-M518 WeakPolarHBondContact O-CG 3.22Å; E514-M518 PolarHBondContact O-N 3.26Å
515	M	98.4	Very high	96.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-35.5	179	-63.8	-54.1	123	0	0	112.1	L34 I62 W173 T208 W511 Q512 N513 C520 F521	L34-M515 HydrophobicContact CD1-SD 4.02Å; L34-M515 HydrophobicContact CD2-SD 4.47Å; I62-M515 HydrophobicContact CD1-CB 4.06Å; I62-M515 HydrophobicContact CD1-CG 4.41Å; W173-M515 HydrophobicContact CZ3-CB 4.32Å; W173-M515 HydrophobicContact CZ3-CG 4.09Å; W173-M515 HydrophobicContact CZ3-SD 4.41Å; T208-M515 HydrophobicContact CG2-CE 3.38Å; T208-M515 HydrophobicContact CG2-SD 3.81Å; W511-M515 HydrophobicContact CD2-CE 4.08Å; W511-M515 HydrophobicContact CD2-CG 4.2Å; W511-M515 HydrophobicContact CE3-CG 3.98Å; W511-M515 HydrophobicContact CG-CE 4.41Å; W511-M515 HydrophobicContact CH2-CG 3.78Å; W511-M515 HydrophobicContact CH2-SD 4.26Å; W511-M515 HydrophobicContact CZ2-CE 3.83Å; W511-M515 HydrophobicContact CZ2-CG 4.01Å; W511-M515 HydrophobicContact CZ2-SD 4.01Å; W511-M515 HydrophobicContact CZ3-CG 3.76Å; W511-M515 WeakPolarHBondContact O-CG 3.17Å; W511-M515 PolarHBondContact O-N 3.34Å; Q512-M515 PolarHBondContact O-N 3.14Å; N513-M515 PolarHBondContact O-N 3.41Å; M515-C520 WeakPolarHBondContact O-CA 3.37Å; M515-C520 PolarHBondContact O-N 3.26Å; M515-C520 HydrophobicContact SD-CB 4.18Å; M515-F521 HydrophobicContact CB-CB 4.38Å; M515-F521 PolarHBondContact O-N 2.93Å
516	I	97.8	Very high	96.3	Very high	55 Å²	55	41 Å²	41	28%	0.282	20%	0.203	S	C	.	.	H	α-helix	trans	-75.4	-54.5	-179.8	-65.1	162	0	0	0	110.9	P61 I62 L65 Q512 N513 E514 M518 E519 F521	P61-I516 HydrophobicContact CB-CD1 3.47Å; P61-I516 VanDerWaalsContact CB-CD1 3.47Å; I62-I516 HydrophobicContact CG1-CD1 4.01Å; I62-I516 HydrophobicContact CG1-CG1 4.12Å; L65-I516 HydrophobicContact CD1-CD1 3.54Å; L65-I516 HydrophobicContact CD1-CG1 3.83Å; L65-I516 HydrophobicContact CD1-CG2 4.39Å; Q512-I516 WeakPolarHBondContact O-CG1 3.37Å; Q512-I516 PolarHBondContact O-N 3.05Å; Q512-I516 VanDerWaalsContact O-N 3.1Å; N513-I516 PolarHBondContact O-N 3.26Å; E514-I516 PolarHBondContact O-N 3.41Å; I516-M518 VanDerWaalsContact C-N 3.27Å; I516-M518 PolarHBondContact O-N 3.35Å; I516-E519 WeakPolarHBondContact O-CA 3.43Å; I516-E519 PolarHBondContact O-N 3.43Å; I516-F521 HydrophobicContact CG1-CB 4.15Å; I516-F521 HydrophobicContact CG1-CG 4.36Å
517	E	94.8	Very high	95.6	Very high	114 Å²	114	41.6 Å²	41.6	53%	0.533	20%	0.203	S	C	.	.	H	α-helix	trans	-59.3	-39.1	-178	-71.8	167.9	-151.9	0	0	111.9	K210 N513 E519	K210-E517 WeakPolarHBondContact CE-OE2 3.29Å; K210-E517 VanDerWaalsContact NZ-CD 3.35Å; K210-E517 IonicContact NZ-OE1 3.91Å; K210-E517 PolarHBondContact NZ-OE1 2.93Å; K210-E517 IonicContact NZ-OE2 2.63Å; K210-E517 PolarHBondContact NZ-OE2 3.41Å; N513-E517 WeakPolarHBondContact O-CB 3.41Å; N513-E517 VanDerWaalsContact O-CG 3.24Å; N513-E517 WeakPolarHBondContact O-CG 3.39Å; N513-E517 PolarHBondContact O-N 2.88Å; E517-E519 PolarHBondContact O-N 3.46Å
518	M	94.8	Very high	94.8	Very high	39 Å²	39	47 Å²	47	19%	0.192	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	17	177.7	-56.7	-51.4	-59.5	0	0	112.5	R26 T208 K210 E514 I516 C520	R26-M518 VanDerWaalsContact CZ-O 3.29Å; R26-M518 PolarHBondContact NH2-O 3.44Å; T208-M518 WeakPolarHBondContact O-CE 3.3Å; K210-M518 HydrophobicContact CB-CG 3.78Å; K210-M518 HydrophobicContact CB-SD 3.97Å; K210-M518 HydrophobicContact CD-CG 4.25Å; K210-M518 HydrophobicContact CD-SD 4.46Å; K210-M518 HydrophobicContact CG-CG 4.36Å; K210-M518 HydrophobicContact CG-SD 4.22Å; E514-M518 HydrophobicContact CG-CG 4.35Å; E514-M518 VanDerWaalsContact O-CB 3.26Å; E514-M518 WeakPolarHBondContact O-CB 3.4Å; E514-M518 VanDerWaalsContact O-CG 3.28Å; E514-M518 WeakPolarHBondContact O-CG 3.22Å; E514-M518 PolarHBondContact O-N 3.26Å; I516-M518 VanDerWaalsContact C-N 3.27Å; I516-M518 PolarHBondContact O-N 3.35Å; M518-C520 PolarHBondContact O-N 3.06Å; M518-C520 PolarHBondContact O-SG 2.97Å
519	E	95.9	Very high	93.7	Very high	98 Å²	98	49.2 Å²	49.2	46%	0.458	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	9.3	178.4	-54.4	-168.9	143.7	0	0	115.9	I516 E517 F521 K522 E523	I516-E519 WeakPolarHBondContact O-CA 3.43Å; I516-E519 PolarHBondContact O-N 3.43Å; E517-E519 PolarHBondContact O-N 3.46Å; E519-F521 VanDerWaalsContact C-N 3.32Å; E519-F521 PolarHBondContact O-N 3.44Å; E519-K522 PolarHBondContact O-N 3.49Å; E519-E523 WeakPolarHBondContact O-CG 3.46Å; E519-E523 PolarHBondContact O-N 3.08Å
520	C	96.5	Very high	92.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-39.6	179.7	-65.6	0	0	0	0	110.8	W30 L34 M515 M518 E523 I524	W30-C520 HydrophobicContact CZ3-CB 4.29Å; L34-C520 HydrophobicContact CD1-CB 4.12Å; M515-C520 WeakPolarHBondContact O-CA 3.37Å; M515-C520 PolarHBondContact O-N 3.26Å; M515-C520 HydrophobicContact SD-CB 4.18Å; M518-C520 PolarHBondContact O-N 3.06Å; M518-C520 PolarHBondContact O-SG 2.97Å; C520-E523 PolarHBondContact O-N 2.86Å; C520-I524 VanDerWaalsContact O-CB 3.28Å; C520-I524 WeakPolarHBondContact O-CB 3.35Å; C520-I524 WeakPolarHBondContact O-CG1 3.45Å; C520-I524 PolarHBondContact O-N 3.13Å
521	F	97.1	Very high	91.3	Very high	12 Å²	12	57.7 Å²	57.7	5%	0.053	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-53.3	174.5	178.4	-103.3	0	0	0	110.8	I62 L65 L66 W173 M515 I516 E519 E523 I524 N525	I62-F521 HydrophobicContact CB-CE2 4.42Å; I62-F521 HydrophobicContact CD1-CD2 3.86Å; I62-F521 HydrophobicContact CD1-CE2 4.45Å; I62-F521 HydrophobicContact CG1-CD2 3.86Å; I62-F521 HydrophobicContact CG1-CE2 4.17Å; I62-F521 HydrophobicContact CG1-CG 4.43Å; I62-F521 HydrophobicContact CG2-CD2 4.13Å; I62-F521 HydrophobicContact CG2-CE2 3.65Å; I62-F521 HydrophobicContact CG2-CZ 4.44Å; L65-F521 HydrophobicContact CB-CE1 4.29Å; L65-F521 HydrophobicContact CB-CZ 4.4Å; L65-F521 HydrophobicContact CD1-CD1 4.08Å; L65-F521 HydrophobicContact CD1-CE1 3.87Å; L66-F521 HydrophobicContact CD2-CE2 4.32Å; L66-F521 HydrophobicContact CD2-CZ 3.98Å; L66-F521 HydrophobicContact CG-CE2 4.37Å; L66-F521 HydrophobicContact CG-CZ 4.13Å; W173-F521 HydrophobicContact CD2-CD2 4.12Å; W173-F521 HydrophobicContact CD2-CE2 4.48Å; W173-F521 AromaticContact CE2-CD2 3.5Å; W173-F521 VanDerWaalsContact CE2-CD2 3.5Å; W173-F521 AromaticContact CE2-CE2 3.83Å; W173-F521 HydrophobicContact CH2-CB 4.36Å; W173-F521 HydrophobicContact CH2-CD2 4.19Å; W173-F521 HydrophobicContact CZ2-CB 4.4Å; W173-F521 AromaticContact CZ2-CD2 3.56Å; W173-F521 HydrophobicContact CZ2-CD2 3.56Å; W173-F521 HydrophobicContact CZ2-CE2 4.24Å; W173-F521 HydrophobicContact CZ2-CG 4.34Å; W173-F521 AromaticContact NE1-CD2 3.68Å; W173-F521 AromaticContact NE1-CE2 3.47Å; M515-F521 HydrophobicContact CB-CB 4.38Å; M515-F521 PolarHBondContact O-N 2.93Å; I516-F521 HydrophobicContact CG1-CB 4.15Å; I516-F521 HydrophobicContact CG1-CG 4.36Å; E519-F521 VanDerWaalsContact C-N 3.32Å; E519-F521 PolarHBondContact O-N 3.44Å; F521-E523 VanDerWaalsContact C-N 3.33Å; F521-E523 PolarHBondContact O-N 3.25Å; F521-I524 PolarHBondContact O-N 3.12Å; F521-N525 HydrophobicContact CD2-CB 4.11Å; F521-N525 HydrophobicContact CE1-CB 4.37Å; F521-N525 HydrophobicContact CE2-CB 3.9Å; F521-N525 HydrophobicContact CG-CB 4.43Å; F521-N525 HydrophobicContact CZ-CB 4.05Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.35Å; F521-N525 WeakPolarHBondContact O-CA 3.47Å; F521-N525 WeakPolarHBondContact O-CB 3.22Å; F521-N525 PolarHBondContact O-N 3.28Å
522	K	95.4	Very high	90.3	Very high	159 Å²	159	62.7 Å²	62.7	69%	0.691	33%	0.325	S	S	*	.	H	α-helix	trans	-59.2	-41.9	-179.5	-175.1	-179.6	178.1	-177.1	0	112.5	E519	E519-K522 PolarHBondContact O-N 3.49Å
523	E	94.7	Very high	89.5	Confident	67 Å²	67	65.8 Å²	65.8	31%	0.313	34%	0.342	S	S	.	.	H	α-helix	trans	-77.6	-25.2	-177.3	-72.5	-177.1	-123.2	0	0	114.7	R26 W30 E519 C520 F521	R26-E523 IonicContact CZ-OE1 3.72Å; R26-E523 VanDerWaalsContact NH1-CD 3.32Å; R26-E523 IonicContact NH1-OE1 2.7Å; R26-E523 PolarHBondContact NH1-OE1 2.92Å; R26-E523 IonicContact NH1-OE2 2.7Å; R26-E523 PolarHBondContact NH1-OE2 2.71Å; R26-E523 IonicContact NH2-OE1 2.7Å; R26-E523 PolarHBondContact NH2-OE1 3.03Å; W30-E523 HydrophobicContact CH2-CB 3.88Å; W30-E523 VanDerWaalsContact CH2-OE2 3.3Å; W30-E523 WeakPolarHBondContact CH2-OE2 3.33Å; W30-E523 WeakPolarHBondContact CZ2-OE2 3.47Å; E519-E523 WeakPolarHBondContact O-CG 3.46Å; E519-E523 PolarHBondContact O-N 3.08Å; C520-E523 PolarHBondContact O-N 2.86Å; F521-E523 VanDerWaalsContact C-N 3.33Å; F521-E523 PolarHBondContact O-N 3.25Å
524	I	94.4	Very high	88.8	Confident	26 Å²	26	63.5 Å²	63.5	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-99	-30.9	-179	-67	170.4	0	0	0	111.6	W30 L34 L36 W173 C520 F521 I526	W30-I524 HydrophobicContact CE3-CD1 4.3Å; W30-I524 HydrophobicContact CH2-CD1 4.41Å; W30-I524 HydrophobicContact CH2-CG1 4.25Å; W30-I524 HydrophobicContact CZ3-CD1 3.58Å; W30-I524 HydrophobicContact CZ3-CG1 3.9Å; L34-I524 HydrophobicContact CB-CD1 3.47Å; L34-I524 VanDerWaalsContact CB-CD1 3.47Å; L34-I524 HydrophobicContact CD1-CD1 3.99Å; L34-I524 HydrophobicContact CG-CD1 4.39Å; L36-I524 HydrophobicContact CD1-CG2 3.79Å; L36-I524 HydrophobicContact CD2-CG2 4.37Å; L36-I524 HydrophobicContact CG-CG2 3.74Å; W173-I524 HydrophobicContact CH2-CB 3.85Å; W173-I524 HydrophobicContact CH2-CD1 4.25Å; W173-I524 HydrophobicContact CH2-CG2 3.92Å; W173-I524 HydrophobicContact CZ2-CB 3.92Å; W173-I524 HydrophobicContact CZ2-CG2 3.84Å; C520-I524 VanDerWaalsContact O-CB 3.28Å; C520-I524 WeakPolarHBondContact O-CB 3.35Å; C520-I524 WeakPolarHBondContact O-CG1 3.45Å; C520-I524 PolarHBondContact O-N 3.13Å; F521-I524 PolarHBondContact O-N 3.12Å; I524-I526 PolarHBondContact O-N 2.92Å
525	N	93.5	Very high	88.1	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.08	35%	0.35	C	S	.	.			trans	-76.8	64.4	-173.8	-165.9	57	0	0	0	112.5	R169 W173 F521 Y527	R169-N525 WeakPolarHBondContact CD-OD1 3.43Å; R169-N525 WeakPolarHBondContact CG-OD1 3.48Å; R169-N525 PolarHBondContact NH1-OD1 3.08Å; R169-N525 VanDerWaalsContact NH1-OD1 3.11Å; W173-N525 HydrophobicContact CZ2-CB 4.12Å; W173-N525 PolarHBondContact NE1-OD1 3.39Å; F521-N525 HydrophobicContact CD2-CB 4.11Å; F521-N525 HydrophobicContact CE1-CB 4.37Å; F521-N525 HydrophobicContact CE2-CB 3.9Å; F521-N525 HydrophobicContact CG-CB 4.43Å; F521-N525 HydrophobicContact CZ-CB 4.05Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.35Å; F521-N525 WeakPolarHBondContact O-CA 3.47Å; F521-N525 WeakPolarHBondContact O-CB 3.22Å; F521-N525 PolarHBondContact O-N 3.28Å; N525-Y527 WeakPolarHBondContact ND2-CE2 3.39Å; N525-Y527 PolarHBondContact ND2-OH 3.1Å
526	I	89.5	Confident	87.5	Confident	86 Å²	86	68.4 Å²	68.4	44%	0.441	36%	0.359	S	S	.	.			trans	-104.6	132.7	179.9	-56.8	172.5	0	0	0	108.7	R169 I524 E528 C534	R169-I526 PolarHBondContact NH1-O 3.39Å; R169-I526 PolarHBondContact NH2-O 3.18Å; I524-I526 PolarHBondContact O-N 2.92Å; I526-E528 WeakPolarHBondContact CG2-O 3.34Å; I526-C534 PolarHBondContact O-SG 3.47Å
527	Y	84	Confident	86.9	Confident	35 Å²	35	66.4 Å²	66.4	14%	0.137	35%	0.349	C	S	.	.			trans	-98.3	-28.1	-178.1	-65.7	-85.3	0	0	0	113.4	L66 Q69 M165 Y166 R169 N525 C534 L537	L66-Y527 WeakPolarHBondContact CD2-OH 2.92Å; Q69-Y527 PolarHBondContact OE1-OH 3.24Å; Q69-Y527 VanDerWaalsContact OE1-OH 3.13Å; M165-Y527 HydrophobicContact CE-CD1 3.43Å; M165-Y527 VanDerWaalsContact CE-CD1 3.43Å; M165-Y527 HydrophobicContact CE-CE1 3.93Å; M165-Y527 HydrophobicContact CE-CG 3.81Å; M165-Y527 HydrophobicContact SD-CD1 4.05Å; Y166-Y527 HydrophobicContact CD1-CE1 4.24Å; Y166-Y527 AromaticContact CD1-CZ 3.95Å; Y166-Y527 HydrophobicContact CE1-CE1 4.43Å; Y166-Y527 HydrophobicContact CE1-CE2 4.49Å; R169-Y527 HydrophobicContact CB-CE1 3.94Å; R169-Y527 HydrophobicContact CG-CE1 3.97Å; N525-Y527 WeakPolarHBondContact ND2-CE2 3.39Å; N525-Y527 PolarHBondContact ND2-OH 3.1Å; Y527-C534 PolarHBondContact O-N 3.45Å; Y527-C534 PolarHBondContact O-SG 3.43Å; Y527-C534 VanDerWaalsContact O-SG 3.4Å; Y527-L537 HydrophobicContact CD1-CD1 3.85Å; Y527-L537 HydrophobicContact CE1-CD1 4.41Å
528	E	81.7	Confident	86.4	Confident	130 Å²	130	62.4 Å²	62.4	61%	0.607	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.2	-177.1	-65.4	177.7	-177.7	0	0	111	I526 M532	I526-E528 WeakPolarHBondContact CG2-O 3.34Å; E528-M532 CarbonylContact C-O 3.54Å; E528-M532 WeakPolarHBondContact CA-O 3.19Å
529	T	71.8	Confident	85.6	Confident	73 Å²	73	64.9 Å²	64.9	45%	0.448	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.8	168.3	-54.6	0	0	0	0	107.2	G531 M532 C534	T529-G531 PolarHBondContact O-N 3.39Å; T529-M532 PolarHBondContact N-O 3.45Å; T529-M532 PolarHBondContact O-N 2.79Å; T529-M532 VanDerWaalsContact O-N 3.12Å; T529-C534 PolarHBondContact OG1-SG 3.49Å
530	D	72.9	Confident	84.7	Confident	165 Å²	165	67.5 Å²	67.5	88%	0.882	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	35.9	-178.1	-52.1	-41.6	0	0	0	113.7	M532	D530-M532 VanDerWaalsContact C-N 3.27Å; D530-M532 PolarHBondContact O-N 2.88Å
531	G	71.8	Confident	83.7	Confident	67 Å²	67	73 Å²	73	69%	0.691	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	9	179.2	0	0	0	0	0	115.1	T529	T529-G531 PolarHBondContact O-N 3.39Å
532	M	77.7	Confident	82.2	Confident	117 Å²	117	78 Å²	78	58%	0.576	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	149.8	173.3	-66.7	-165.4	174.6	0	0	111.3	E528 T529 D530 C534	E528-M532 CarbonylContact C-O 3.54Å; E528-M532 WeakPolarHBondContact CA-O 3.19Å; T529-M532 PolarHBondContact N-O 3.45Å; T529-M532 PolarHBondContact O-N 2.79Å; T529-M532 VanDerWaalsContact O-N 3.12Å; D530-M532 VanDerWaalsContact C-N 3.27Å; D530-M532 PolarHBondContact O-N 2.88Å; M532-C534 PolarHBondContact O-N 2.99Å
533	L	81.6	Confident	80.7	Confident	69 Å²	69	74 Å²	74	36%	0.361	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	133.4	172	-175.2	69.6	0	0	0	110.1	M165 L537 D538	M165-L533 HydrophobicContact SD-CD1 4.22Å; L533-L537 HydrophobicContact CD1-CB 4.15Å; L533-L537 HydrophobicContact CD1-CD1 4.17Å; L533-L537 HydrophobicContact CD2-CB 4.2Å; L533-L537 HydrophobicContact CG-CB 4.1Å; L533-D538 HydrophobicContact CD2-CB 4.33Å
534	C	83.9	Confident	79.1	Confident	5 Å²	5	74.6 Å²	74.6	3%	0.034	41%	0.411	C	S	.	.			trans	-53.1	133.1	179.5	-80.9	0	0	0	0	110.8	I526 Y527 T529 M532 D536 L537 D538	I526-C534 PolarHBondContact O-SG 3.47Å; Y527-C534 PolarHBondContact O-N 3.45Å; Y527-C534 PolarHBondContact O-SG 3.43Å; Y527-C534 VanDerWaalsContact O-SG 3.4Å; T529-C534 PolarHBondContact OG1-SG 3.49Å; M532-C534 PolarHBondContact O-N 2.99Å; C534-D536 WeakPolarHBondContact CB-OD1 3.38Å; C534-D536 PolarHBondContact O-N 3.47Å; C534-L537 PolarHBondContact O-N 3.41Å; C534-D538 PolarHBondContact O-N 2.99Å
535	P	82.1	Confident	77.3	Confident	65 Å²	65	78.5 Å²	78.5	42%	0.422	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	-176.3	-26.6	34	0	0	0	115	H38 L537	H38-P535 PolarHBondContact CD2-O 3.14Å; P535-L537 VanDerWaalsContact C-N 3.3Å
536	D	85	Confident	75.5	Confident	39 Å²	39	83.2 Å²	83.2	21%	0.209	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-20.5	175.4	58.1	-88.8	0	0	0	113.8	I39 R169 Q172 C534	I39-D536 WeakPolarHBondContact CB-O 3.39Å; I39-D536 PolarHBondContact N-O 3.08Å; R169-D536 IonicContact CZ-OD2 2.64Å; R169-D536 IonicContact NH2-OD2 3.79Å; R169-D536 PolarHBondContact NH2-OD2 2.93Å; Q172-D536 PolarHBondContact NE2-O 3.08Å; Q172-D536 VanDerWaalsContact NE2-O 3.12Å; Q172-D536 PolarHBondContact NE2-OD2 2.99Å; Q172-D536 PolarHBondContact OE1-OD2 3.03Å; C534-D536 WeakPolarHBondContact CB-OD1 3.38Å; C534-D536 PolarHBondContact O-N 3.47Å
537	L	86.8	Confident	73.8	Confident	14 Å²	14	89.1 Å²	89.1	7%	0.073	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-15.5	178.2	-76.7	174.6	0	0	0	113.6	R169 Y527 L533 C534 P535 M539	R169-L537 HydrophobicContact CB-CD2 4.38Å; R169-L537 VanDerWaalsContact NH2-CD1 3.3Å; Y527-L537 HydrophobicContact CD1-CD1 3.85Å; Y527-L537 HydrophobicContact CE1-CD1 4.41Å; L533-L537 HydrophobicContact CD1-CB 4.15Å; L533-L537 HydrophobicContact CD1-CD1 4.17Å; L533-L537 HydrophobicContact CD2-CB 4.2Å; L533-L537 HydrophobicContact CG-CB 4.1Å; C534-L537 PolarHBondContact O-N 3.41Å; P535-L537 VanDerWaalsContact C-N 3.3Å; L537-M539 PolarHBondContact O-N 3.01Å
538	D	83.3	Confident	71.9	Confident	30 Å²	30	93.9 Å²	93.9	16%	0.16	51%	0.51	C	S	.	.			trans	-80.2	100.7	-178.1	-174.4	-4.4	0	0	0	111.3	H38 L533 C534 N540 R541	H38-D538 PolarHBondContact NE2-O 3.19Å; L533-D538 HydrophobicContact CD2-CB 4.33Å; C534-D538 PolarHBondContact O-N 2.99Å; D538-N540 PolarHBondContact O-N 3.01Å; D538-N540 VanDerWaalsContact O-N 3.14Å; D538-N540 WeakPolarHBondContact OD1-CB 3.46Å; D538-N540 PolarHBondContact OD1-N 3.38Å; D538-R541 HydrophobicContact CB-CB 4.27Å; D538-R541 HydrophobicContact CB-CG 4.33Å; D538-R541 PolarHBondContact O-N 2.98Å; D538-R541 VanDerWaalsContact O-N 3.13Å; D538-R541 WeakPolarHBondContact OD2-CD 3.45Å; D538-R541 WeakPolarHBondContact OD2-CG 3.17Å; D538-R541 IonicContact OD2-NE 2.61Å; D538-R541 PolarHBondContact OD2-NE 2.87Å; D538-R541 VanDerWaalsContact OD2-NE 3.09Å
539	M	77.1	Confident	70.1	Confident	90 Å²	90	89.8 Å²	89.8	44%	0.443	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.9	177.3	-79.6	-65.8	-151.3	0	0	114.1	I39 R46 L537	I39-M539 HydrophobicContact CB-SD 4.41Å; I39-M539 HydrophobicContact CG1-CE 3.91Å; I39-M539 HydrophobicContact CG1-SD 4.29Å; I39-M539 HydrophobicContact CG2-CE 4.18Å; I39-M539 HydrophobicContact CG2-CG 3.88Å; I39-M539 HydrophobicContact CG2-SD 3.42Å; I39-M539 WeakPolarHBondContact CG2-SD 3.44Å; R46-M539 VanDerWaalsContact NH1-CE 3.26Å; L537-M539 PolarHBondContact O-N 3.01Å
540	N	78.2	Confident	68.8	Low	153 Å²	153	93.2 Å²	93.2	82%	0.818	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-10.5	-177	-61.4	-43.7	0	0	0	112.5	D538	D538-N540 PolarHBondContact O-N 3.01Å; D538-N540 VanDerWaalsContact O-N 3.14Å; D538-N540 WeakPolarHBondContact OD1-CB 3.46Å; D538-N540 PolarHBondContact OD1-N 3.38Å
541	R	74.8	Confident	67.2	Low	115 Å²	115	92.5 Å²	92.5	43%	0.434	50%	0.501	S	S	.	.	S	Bend	trans	-94.4	130.5	175.2	-77.3	178.7	-169.5	-147.2	0.3	110.4	H38 D538	H38-R541 PolarHBondContact CE1-O 3.13Å; H38-R541 PolarHBondContact NE2-O 3.37Å; H38-R541 VanDerWaalsContact NE2-O 3.07Å; D538-R541 HydrophobicContact CB-CB 4.27Å; D538-R541 HydrophobicContact CB-CG 4.33Å; D538-R541 PolarHBondContact O-N 2.98Å; D538-R541 VanDerWaalsContact O-N 3.13Å; D538-R541 WeakPolarHBondContact OD2-CD 3.45Å; D538-R541 WeakPolarHBondContact OD2-CG 3.17Å; D538-R541 IonicContact OD2-NE 2.61Å; D538-R541 PolarHBondContact OD2-NE 2.87Å; D538-R541 VanDerWaalsContact OD2-NE 3.09Å
542	P	66.1	Low	65.9	Low	118 Å²	118	95 Å²	95	77%	0.766	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-66.8	144.3	175.5	25.3	-31.1	0	0	0	110.6	P544	P542-P544 WeakPolarHBondContact O-CD 3.32Å; P542-P544 VanDerWaalsContact O-N 3.15Å
543	N	64.1	Low	64.3	Low	74 Å²	74	97.7 Å²	97.7	40%	0.396	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-56.4	119.9	176	-166.5	4.8	0	0	0	109.1	H38 Q41	H38-N543 HydrophobicContact CB-CB 4.25Å; Q41-N543 PolarHBondContact NE2-ND2 3.25Å; Q41-N543 VanDerWaalsContact NE2-ND2 3.2Å
544	P	60.4	Low	62.5	Low	80 Å²	80	98.1 Å²	98.1	52%	0.519	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-59.6	135.8	-178.4	20.1	-30.6	0	0	0	109.8	P542	P542-P544 WeakPolarHBondContact O-CD 3.32Å; P542-P544 VanDerWaalsContact O-N 3.15Å
545	P	56.4	Low	60.7	Low	108 Å²	108	104 Å²	104	70%	0.701	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-57.6	144.5	-177.7	22.3	-32.2	0	0	0	110.2	K547	P545-K547 PolarHBondContact O-N 3.44Å
546	P	55.6	Low	58.9	Low	114 Å²	114	109.6 Å²	109.6	74%	0.74	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-54.2	129.4	-177.8	18.6	-29.3	0	0	0	109.8	R548	P546-R548 PolarHBondContact O-N 2.9Å
547	K	53.5	Low	56.7	Low	211 Å²	211	117.5 Å²	117.5	92%	0.917	56%	0.561	S	S	*	*			trans	-57.5	105	179.6	-80.5	-172.1	177.9	179.9	0	108.6	P545 G549	P545-K547 PolarHBondContact O-N 3.44Å; K547-G549 PolarHBondContact O-N 3.46Å
548	R	46	Very low	54.3	Low	134 Å²	134	123.2 Å²	123.2	51%	0.506	59%	0.587	S	S	.	*			trans	-64.4	118.9	179.4	-57.4	-170.1	-178.9	176.2	-6.5	108.7	P546 Y552	P546-R548 PolarHBondContact O-N 2.9Å; R548-Y552 HydrophobicContact CB-CD1 3.79Å; R548-Y552 HydrophobicContact CB-CG 3.89Å; R548-Y552 VanDerWaalsContact CD-CD1 3.42Å; R548-Y552 HydrophobicContact CG-CD1 4.15Å; R548-Y552 HydrophobicContact CG-CE1 4.39Å; R548-Y552 HydrophobicContact CG-CG 4.38Å; R548-Y552 VanDerWaalsContact NH1-CE1 3.28Å; R548-Y552 PolarHBondContact NH1-OH 3.14Å; R548-Y552 VanDerWaalsContact NH1-OH 3.09Å
549	G	43.3	Very low	52	Low	44 Å²	44	127.3 Å²	127.3	45%	0.454	61%	0.613	S	S	.	*			trans	-60.4	163.9	-176	0	0	0	0	0	113	K547 F551 Y552 R553	K547-G549 PolarHBondContact O-N 3.46Å; G549-F551 PolarHBondContact O-N 3.37Å; G549-Y552 WeakPolarHBondContact O-CB 3.38Å; G549-Y552 PolarHBondContact O-N 3.4Å; G549-R553 PolarHBondContact O-N 3.23Å
550	F	43.9	Very low	50	Low	146 Å²	146	128 Å²	128	64%	0.64	63%	0.626	S	S	*	*	H	α-helix	trans	-51.1	-39.6	179.2	-178.2	-108.2	0	0	0	112.7	Y552 R553 L554	F550-Y552 PolarHBondContact O-N 3.07Å; F550-R553 WeakPolarHBondContact O-CB 3.39Å; F550-R553 PolarHBondContact O-N 3.39Å; F550-R553 VanDerWaalsContact O-N 3.11Å; F550-L554 HydrophobicContact CD1-CD1 3.48Å; F550-L554 VanDerWaalsContact CD1-CD1 3.48Å; F550-L554 HydrophobicContact CD2-CD1 4.49Å; F550-L554 HydrophobicContact CE1-CD1 3.08Å; F550-L554 HydrophobicContact CE2-CD1 4.17Å; F550-L554 HydrophobicContact CG-CD1 4.19Å; F550-L554 HydrophobicContact CZ-CD1 3.47Å; F550-L554 VanDerWaalsContact CZ-CD1 3.47Å; F550-L554 PolarHBondContact O-N 3.04Å; F550-L554 VanDerWaalsContact O-N 3.07Å
551	F	40.1	Very low	48	Very low	149 Å²	149	128 Å²	128	65%	0.654	63%	0.625	S	S	*	*	H	α-helix	trans	-61.8	-40.3	175.7	-69.6	-74.1	0	0	0	113.3	G549 R553 L554 F555	G549-F551 PolarHBondContact O-N 3.37Å; F551-R553 PolarHBondContact O-N 3.28Å; F551-L554 PolarHBondContact O-N 3.32Å; F551-L554 VanDerWaalsContact O-N 3.13Å; F551-F555 HydrophobicContact CB-CD2 4.34Å; F551-F555 HydrophobicContact CB-CE2 4.09Å; F551-F555 HydrophobicContact CD1-CE2 4.4Å; F551-F555 WeakPolarHBondContact O-CD2 3.41Å; F551-F555 PolarHBondContact O-N 3.27Å
552	Y	43.2	Very low	46.1	Very low	120 Å²	120	131.9 Å²	131.9	47%	0.471	65%	0.645	S	S	.	*	H	α-helix	trans	-62.1	-32.4	175.4	-168.8	-77.1	0	0	0	112	R548 G549 F550	R548-Y552 HydrophobicContact CB-CD1 3.79Å; R548-Y552 HydrophobicContact CB-CG 3.89Å; R548-Y552 VanDerWaalsContact CD-CD1 3.42Å; R548-Y552 HydrophobicContact CG-CD1 4.15Å; R548-Y552 HydrophobicContact CG-CE1 4.39Å; R548-Y552 HydrophobicContact CG-CG 4.38Å; R548-Y552 VanDerWaalsContact NH1-CE1 3.28Å; R548-Y552 PolarHBondContact NH1-OH 3.14Å; R548-Y552 VanDerWaalsContact NH1-OH 3.09Å; G549-Y552 WeakPolarHBondContact O-CB 3.38Å; G549-Y552 PolarHBondContact O-N 3.4Å; F550-Y552 PolarHBondContact O-N 3.07Å
553	R	44.4	Very low	44.4	Very low	174 Å²	174	131.8 Å²	131.8	66%	0.657	65%	0.647	S	S	*	*	H	α-helix	trans	-76.2	-29.7	175.8	-76.9	-177.2	-110.3	171.3	-4.9	113.2	G549 F550 F551	G549-R553 PolarHBondContact O-N 3.23Å; F550-R553 WeakPolarHBondContact O-CB 3.39Å; F550-R553 PolarHBondContact O-N 3.39Å; F550-R553 VanDerWaalsContact O-N 3.11Å; F551-R553 PolarHBondContact O-N 3.28Å
554	L	44.7	Very low	42.8	Very low	78 Å²	78	131.5 Å²	131.5	41%	0.408	66%	0.661	S	S	.	*	H	α-helix	trans	-72.8	-45.5	174.6	-100	134.5	0	0	0	112.3	F550 F551 R556 R557 E558	F550-L554 HydrophobicContact CD1-CD1 3.48Å; F550-L554 VanDerWaalsContact CD1-CD1 3.48Å; F550-L554 HydrophobicContact CD2-CD1 4.49Å; F550-L554 HydrophobicContact CE1-CD1 3.08Å; F550-L554 HydrophobicContact CE2-CD1 4.17Å; F550-L554 HydrophobicContact CG-CD1 4.19Å; F550-L554 HydrophobicContact CZ-CD1 3.47Å; F550-L554 VanDerWaalsContact CZ-CD1 3.47Å; F550-L554 PolarHBondContact O-N 3.04Å; F550-L554 VanDerWaalsContact O-N 3.07Å; F551-L554 PolarHBondContact O-N 3.32Å; F551-L554 VanDerWaalsContact O-N 3.13Å; L554-R556 PolarHBondContact O-N 3.04Å; L554-R557 WeakPolarHBondContact O-CB 3.05Å; L554-R557 PolarHBondContact O-N 3.39Å; L554-E558 PolarHBondContact O-N 3.36Å
555	F	46.7	Very low	41.3	Very low	129 Å²	129	139 Å²	139	57%	0.566	68%	0.681	S	S	*	*	H	α-helix	trans	-67.1	-19.6	-179.7	-71.3	-64.4	0	0	0	113.8	F551 V559	F551-F555 HydrophobicContact CB-CD2 4.34Å; F551-F555 HydrophobicContact CB-CE2 4.09Å; F551-F555 HydrophobicContact CD1-CE2 4.4Å; F551-F555 WeakPolarHBondContact O-CD2 3.41Å; F551-F555 PolarHBondContact O-N 3.27Å; F555-V559 VanDerWaalsContact O-CG2 3.3Å; F555-V559 WeakPolarHBondContact O-CG2 3.38Å
556	R	44.1	Very low	40	Very low	182 Å²	182	137.8 Å²	137.8	69%	0.687	68%	0.675	S	S	*	*	H	α-helix	trans	-83	-21.4	171.1	-141.1	-174.6	-169.5	-160.4	2.1	113.2	L554	L554-R556 PolarHBondContact O-N 3.04Å
557	R	38.3	Very low	38.8	Very low	205 Å²	205	138.7 Å²	138.7	77%	0.774	67%	0.674	S	S	*	*	H	α-helix	trans	-79.1	-28.4	177.5	-121.8	178.9	177.2	-179.5	-2.2	111.9	L554	L554-R557 WeakPolarHBondContact O-CB 3.05Å; L554-R557 PolarHBondContact O-N 3.39Å
558	E	36.1	Very low	37.6	Very low	133 Å²	133	135.2 Å²	135.2	62%	0.621	67%	0.665	S	S	*	*	H	α-helix	trans	-77	-29.4	172.4	-79.5	-178.6	153	0	0	113.4	L554 C560 L561	L554-E558 PolarHBondContact O-N 3.36Å; E558-C560 VanDerWaalsContact C-N 3.26Å; E558-C560 PolarHBondContact O-N 3.08Å; E558-L561 PolarHBondContact O-N 2.76Å
559	V	35.9	Very low	36.9	Very low	117 Å²	117	136.2 Å²	136.2	71%	0.709	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-12.8	178.1	178.8	0	0	0	0	112.5	F555	F555-V559 VanDerWaalsContact O-CG2 3.3Å; F555-V559 WeakPolarHBondContact O-CG2 3.38Å
560	C	34.9	Very low	36.2	Very low	105 Å²	105	139.7 Å²	139.7	71%	0.709	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	0.6	175.6	-134.5	0	0	0	0	114.2	E558	E558-C560 VanDerWaalsContact C-N 3.26Å; E558-C560 PolarHBondContact O-N 3.08Å
561	L	35.3	Very low	35.5	Very low	152 Å²	152	141.6 Å²	141.6	80%	0.796	70%	0.699	S	S	*	*	S	Bend	trans	-112.4	11.2	-178.4	-88	159.5	0	0	0	114.1	E558	E558-L561 PolarHBondContact O-N 2.76Å
562	K	34.2	Very low	34.9	Very low	197 Å²	197	138 Å²	138	86%	0.857	70%	0.703	S	S	*	*			trans	-132.5	73	169.1	-75.9	-172.9	175.8	-178.7	0	110.6
563	S	31.8	Very low	35	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	72%	0.719	S	S	*	*			trans	-133.3	102.6	156.9	65.6	0	0	0	0	108.1
564	G	30	Very low	34.3	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	72%	0.722	S	S	*	*			trans	176.1	73.5	178.1	0	0	0	0	0	107.7
565	Y	28.2	Very low	34.1	Very low	238 Å²	238	142.4 Å²	142.4	93%	0.933	75%	0.745	S	S	*	*			trans	-175.8	148.6	132.2	-106.2	-80	0	0	0	109.1
566	S	29.6	Very low	33.6	Very low	82 Å²	82	147.9 Å²	147.9	57%	0.573	78%	0.779	S	S	*	*			trans	-95	175.4	-157.7	51.6	0	0	0	0	114
567	D	30.4	Very low	33.1	Very low	133 Å²	133	146.2 Å²	146.2	71%	0.711	78%	0.784	S	S	*	*			trans	98.8	106.4	148.4	-53.5	-34	0	0	0	119.5
568	D	29.6	Very low	32.8	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	79%	0.785	S	S	*	*				85.9	130.6	119	-84.4	-17.6	0	0	0	123.5
569	E	29.4	Very low	32.6	Very low	155 Å²	155	143.7 Å²	143.7	72%	0.724	79%	0.794	S	S	*	*			trans	80.6	107.7	138.3	-72.7	-171.3	166.1	0	0	122
570	T	29.7	Very low	32.4	Very low	117 Å²	117	145.2 Å²	145.2	72%	0.718	80%	0.799	S	S	*	*				89.5	132.6	122.2	54.4	0	0	0	0	122.4
571	E	29.9	Very low	32.3	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	80%	0.804	S	S	*	*			trans	80	114.6	149.1	-72.8	-178.6	172.9	0	0	120.6
572	G	27	Very low	32.1	Very low	72 Å²	72	147.5 Å²	147.5	74%	0.742	81%	0.805	S	S	*	*			trans	-82.8	-154	156.4	0	0	0	0	0	111.3
573	P	44.5	Very low	31.9	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	80%	0.801	S	S	*	*			cis	-137.2	-161.8	-9.1	39	-18.7	0	0	0	113.5
574	S	30.7	Very low	31.9	Very low	102 Å²	102	146.1 Å²	146.1	71%	0.713	80%	0.8	S	S	*	*			trans	93.4	109.1	149.1	27.6	0	0	0	0	122.2
575	R	39.4	Very low	32.1	Very low	240 Å²	240	152.7 Å²	152.7	91%	0.906	81%	0.81	S	S	*	*				41.1	116.5	119.4	-64.4	-177.2	178.4	-170.7	-0.5	117.9
576	L	37	Very low	32.5	Very low	245 Å²	245	144.9 Å²	144.9	100%	1.283	80%	0.798	S	S	*	*				-163.8	0	83.1	-110.3	159.9	0	0	0	109.6

Retrieved 576 of 576 residues in 749.1 ms (Link to these results)

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