A0A077Z7C3_TRITR Loading...

CAAX prenyl protease

Proteolytically removes the C-terminal three residues of farnesylated proteins.

AlphaFold DB , UniProt , Accession A0A077Z7C3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 446 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	71.7	Confident	84.1	Confident	72 Å²	72	61 Å²	61	36%	0.355	34%	0.344	S	S	.	.				0	-44.7	0	-161.1	179.8	-81.5	0	0	113.6	K4 Y5 S41 F42 D45	M1-K4 WeakPolarHBondContact O-CB 3.48Å; M1-K4 PolarHBondContact O-N 3.15Å; M1-Y5 PolarHBondContact O-N 3.48Å; M1-Y5 VanDerWaalsContact O-N 3.12Å; M1-S41 WeakPolarHBondContact CE-OG 3.36Å; M1-F42 HydrophobicContact SD-CB 3.63Å; M1-F42 HydrophobicContact SD-CD2 3.75Å; M1-F42 HydrophobicContact SD-CG 4.17Å; M1-D45 VanDerWaalsContact CE-OD2 3.31Å; M1-D45 WeakPolarHBondContact CE-OD2 3.45Å
2	V	79.9	Confident	83.9	Confident	83 Å²	83	59.8 Å²	59.8	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-57.2	-47.3	-175.7	179.3	0	0	0	0	114.7	K4 Y5 Q6	V2-K4 VanDerWaalsContact C-N 3.33Å; V2-K4 PolarHBondContact O-N 2.72Å; V2-Y5 PolarHBondContact O-N 3.45Å; V2-Y5 VanDerWaalsContact O-N 3.16Å; V2-Q6 HydrophobicContact CG1-CG 4.27Å; V2-Q6 WeakPolarHBondContact O-CG 3.41Å; V2-Q6 PolarHBondContact O-N 3.11Å
3	P	82	Confident	83.9	Confident	71 Å²	71	67.4 Å²	67.4	46%	0.461	38%	0.378	S	S	.	.	H	α-helix	trans	-61.9	-39.5	-179.5	-25.3	35.8	0	0	0	113.1	Q6 K7	P3-Q6 PolarHBondContact O-N 3.31Å; P3-K7 WeakPolarHBondContact O-CB 3.39Å; P3-K7 PolarHBondContact O-N 2.87Å
4	K	85.3	Confident	84	Confident	15 Å²	15	63.5 Å²	63.5	7%	0.065	36%	0.357	C	S	.	.	H	α-helix	trans	-57.6	-52.7	172.5	169	-178.6	174.3	178.9	0	111.2	M1 V2 Q6 K7 Q8 D421 D422 Y425	M1-K4 WeakPolarHBondContact O-CB 3.48Å; M1-K4 PolarHBondContact O-N 3.15Å; V2-K4 VanDerWaalsContact C-N 3.33Å; V2-K4 PolarHBondContact O-N 2.72Å; K4-Q6 VanDerWaalsContact C-N 3.3Å; K4-Q6 PolarHBondContact O-N 3.19Å; K4-K7 PolarHBondContact O-N 2.95Å; K4-Q8 HydrophobicContact CG-CG 4.35Å; K4-Q8 WeakPolarHBondContact O-CB 3.35Å; K4-Q8 VanDerWaalsContact O-CG 3.24Å; K4-Q8 WeakPolarHBondContact O-CG 3.38Å; K4-Q8 PolarHBondContact O-N 3.14Å; K4-D421 VanDerWaalsContact CE-OD1 3.31Å; K4-D421 WeakPolarHBondContact CE-OD1 3.19Å; K4-D422 HydrophobicContact CB-CB 4.09Å; K4-Y425 HydrophobicContact CB-CD2 4.15Å; K4-Y425 HydrophobicContact CB-CG 4.08Å; K4-Y425 HydrophobicContact CD-CD1 3.45Å; K4-Y425 VanDerWaalsContact CD-CD1 3.45Å; K4-Y425 HydrophobicContact CD-CD2 3.69Å; K4-Y425 HydrophobicContact CD-CE1 3.48Å; K4-Y425 VanDerWaalsContact CD-CE1 3.48Å; K4-Y425 HydrophobicContact CD-CE2 3.7Å; K4-Y425 HydrophobicContact CD-CG 3.55Å; K4-Y425 HydrophobicContact CG-CG 4.35Å; K4-Y425 PolarHBondContact NZ-OH 3.39Å
5	Y	84.5	Confident	84	Confident	77 Å²	77	61.7 Å²	61.7	30%	0.302	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-44.1	-179	-178.3	-88.8	0	0	0	111.2	M1 V2 Q8 A9 L35 A38 K39	M1-Y5 PolarHBondContact O-N 3.48Å; M1-Y5 VanDerWaalsContact O-N 3.12Å; V2-Y5 PolarHBondContact O-N 3.45Å; V2-Y5 VanDerWaalsContact O-N 3.16Å; Y5-Q8 PolarHBondContact O-N 2.99Å; Y5-A9 HydrophobicContact CE1-CB 4.3Å; Y5-A9 WeakPolarHBondContact O-CB 3.37Å; Y5-A9 PolarHBondContact O-N 2.69Å; Y5-L35 HydrophobicContact CD2-CD2 3.69Å; Y5-L35 HydrophobicContact CE2-CB 4.37Å; Y5-L35 HydrophobicContact CE2-CD2 3.47Å; Y5-L35 VanDerWaalsContact CE2-CD2 3.47Å; Y5-L35 HydrophobicContact CE2-CG 4.49Å; Y5-L35 HydrophobicContact CG-CD2 4.35Å; Y5-A38 HydrophobicContact CD2-CB 4.02Å; Y5-K39 HydrophobicContact CE2-CG 4Å; Y5-K39 WeakPolarHBondContact OH-CE 3.36Å
6	Q	86.8	Confident	83.9	Confident	120 Å²	120	63.9 Å²	63.9	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-61.4	-45.9	176.9	-72.7	174.4	-25.6	0	0	112	V2 P3 K4 Q8 A9 A10	V2-Q6 HydrophobicContact CG1-CG 4.27Å; V2-Q6 WeakPolarHBondContact O-CG 3.41Å; V2-Q6 PolarHBondContact O-N 3.11Å; P3-Q6 PolarHBondContact O-N 3.31Å; K4-Q6 VanDerWaalsContact C-N 3.3Å; K4-Q6 PolarHBondContact O-N 3.19Å; Q6-Q8 PolarHBondContact O-N 3.1Å; Q6-A9 PolarHBondContact O-N 3.14Å; Q6-A10 WeakPolarHBondContact O-CB 3.43Å; Q6-A10 PolarHBondContact O-N 2.61Å
7	K	86.4	Confident	83.7	Confident	80 Å²	80	68.5 Å²	68.5	35%	0.348	38%	0.384	S	S	.	.	H	α-helix	trans	-60.4	-47.4	177.9	-169.1	175	-176	-177.7	0	111.3	P3 K4 A10 T11 I420 D421 D422	P3-K7 WeakPolarHBondContact O-CB 3.39Å; P3-K7 PolarHBondContact O-N 2.87Å; K4-K7 PolarHBondContact O-N 2.95Å; K7-A10 PolarHBondContact O-N 3.2Å; K7-T11 PolarHBondContact O-N 3.23Å; K7-T11 PolarHBondContact O-OG1 3.39Å; K7-T11 VanDerWaalsContact O-OG1 3.06Å; K7-I420 HydrophobicContact CD-CG2 4.31Å; K7-I420 HydrophobicContact CG-CG2 4.36Å; K7-D421 PolarHBondContact NZ-O 3.23Å; K7-D422 HydrophobicContact CD-CB 4.37Å
8	Q	88.1	Confident	83.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-65.4	-39.6	178	-65.7	175.2	-16.3	0	0	112.4	K4 Y5 Q6 R31 L35 F418 D421	K4-Q8 HydrophobicContact CG-CG 4.35Å; K4-Q8 WeakPolarHBondContact O-CB 3.35Å; K4-Q8 VanDerWaalsContact O-CG 3.24Å; K4-Q8 WeakPolarHBondContact O-CG 3.38Å; K4-Q8 PolarHBondContact O-N 3.14Å; Y5-Q8 PolarHBondContact O-N 2.99Å; Q6-Q8 PolarHBondContact O-N 3.1Å; Q8-R31 VanDerWaalsContact O-CD 3.28Å; Q8-R31 WeakPolarHBondContact O-CD 3.1Å; Q8-R31 WeakPolarHBondContact O-CG 3.24Å; Q8-L35 HydrophobicContact CB-CD2 4.06Å; Q8-F418 HydrophobicContact CB-CD1 4.43Å; Q8-F418 HydrophobicContact CB-CE1 3.99Å; Q8-F418 HydrophobicContact CG-CD1 3.85Å; Q8-F418 HydrophobicContact CG-CE1 3.71Å; Q8-D421 PolarHBondContact NE2-OD1 3.15Å
9	A	86.9	Confident	83.3	Confident	38 Å²	38	69.1 Å²	69.1	31%	0.314	38%	0.378	S	S	.	.	H	α-helix	trans	-69	-36.9	177.6	0	0	0	0	0	112	Y5 Q6 R31 L35	Y5-A9 HydrophobicContact CE1-CB 4.3Å; Y5-A9 WeakPolarHBondContact O-CB 3.37Å; Y5-A9 PolarHBondContact O-N 2.69Å; Q6-A9 PolarHBondContact O-N 3.14Å; A9-R31 PolarHBondContact O-NH1 2.87Å; A9-L35 HydrophobicContact CB-CD2 4.14Å
10	A	87.4	Confident	83	Confident	80 Å²	80	74 Å²	74	66%	0.661	40%	0.398	S	S	*	.	H	α-helix	trans	-72.4	-36.4	179.4	0	0	0	0	0	112.6	Q6 K7 A12	Q6-A10 WeakPolarHBondContact O-CB 3.43Å; Q6-A10 PolarHBondContact O-N 2.61Å; K7-A10 PolarHBondContact O-N 3.2Å; A10-A12 PolarHBondContact O-N 2.67Å
11	T	85.9	Confident	82.8	Confident	35 Å²	35	71 Å²	71	22%	0.215	38%	0.382	C	S	.	.			trans	-83.4	80.7	-179.2	-45.7	0	0	0	0	111.3	K7 E13 P15 F27 R31 I420	K7-T11 PolarHBondContact O-N 3.23Å; K7-T11 PolarHBondContact O-OG1 3.39Å; K7-T11 VanDerWaalsContact O-OG1 3.06Å; T11-E13 WeakPolarHBondContact CG2-O 3.04Å; T11-P15 HydrophobicContact CG2-CG 4.43Å; T11-F27 HydrophobicContact CG2-CE1 4.33Å; T11-F27 HydrophobicContact CG2-CZ 3.96Å; T11-F27 WeakPolarHBondContact O-CE1 3.48Å; T11-R31 WeakPolarHBondContact O-CD 3.23Å; T11-I420 HydrophobicContact CG2-CD1 3.55Å
12	A	82.2	Confident	83.4	Confident	47 Å²	47	67.6 Å²	67.6	39%	0.388	37%	0.365	S	S	.	.			trans	-77.3	-31.1	179.8	0	0	0	0	0	114	A10	A10-A12 PolarHBondContact O-N 2.67Å
13	E	83.4	Confident	83.7	Confident	158 Å²	158	66.6 Å²	66.6	74%	0.738	36%	0.357	S	S	*	.	S	Bend	trans	-111.6	146.8	-179	-65.1	-172.8	176.4	0	0	111	T11 P15 F27	T11-E13 WeakPolarHBondContact CG2-O 3.04Å; E13-P15 WeakPolarHBondContact O-CD 3.49Å; E13-F27 VanDerWaalsContact C-CE1 3.47Å
14	P	85.2	Confident	84	Confident	13 Å²	13	66.4 Å²	66.4	8%	0.084	36%	0.362	C	S	.	.			trans	-67.3	125.9	176.8	26.9	-32.6	0	0	0	110.2	K19 A24 F27	P14-K19 HydrophobicContact CB-CG 4.28Å; P14-K19 HydrophobicContact CG-CG 4.14Å; P14-A24 HydrophobicContact CG-CB 4.41Å; P14-F27 HydrophobicContact CB-CB 4.21Å; P14-F27 HydrophobicContact CB-CD1 4.24Å; P14-F27 HydrophobicContact CB-CD2 3.75Å; P14-F27 HydrophobicContact CB-CE2 4.13Å; P14-F27 HydrophobicContact CB-CG 3.81Å; P14-F27 HydrophobicContact CG-CB 4.33Å; P14-F27 HydrophobicContact CG-CG 4.29Å
15	P	84.7	Confident	84.1	Confident	37 Å²	37	70 Å²	70	24%	0.24	38%	0.377	C	S	.	.			trans	-49.7	150	164.5	-26.8	34.4	0	0	0	111.5	T11 E13 E17 L18 K19 I420	T11-P15 HydrophobicContact CG2-CG 4.43Å; E13-P15 WeakPolarHBondContact O-CD 3.49Å; P15-E17 WeakPolarHBondContact CB-OE2 3.41Å; P15-E17 PolarHBondContact O-N 3.23Å; P15-E17 VanDerWaalsContact O-N 3.08Å; P15-L18 HydrophobicContact CB-CD1 4.37Å; P15-L18 HydrophobicContact CB-CG 4.44Å; P15-L18 HydrophobicContact CG-CD1 3.99Å; P15-L18 PolarHBondContact O-N 3.48Å; P15-K19 PolarHBondContact O-N 3.35Å; P15-I420 HydrophobicContact CG-CD1 3.75Å
16	P	82.3	Confident	84.3	Confident	97 Å²	97	67.8 Å²	67.8	63%	0.63	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-50.3	-37.6	-177.1	-27.4	35.1	0	0	0	114	L18	P16-L18 PolarHBondContact O-N 3.36Å
17	E	79.5	Confident	84.5	Confident	141 Å²	141	62.1 Å²	62.1	66%	0.659	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-69.3	-20.7	-178	-50.9	78.5	-169.9	0	0	112.9	P15	P15-E17 WeakPolarHBondContact CB-OE2 3.41Å; P15-E17 PolarHBondContact O-N 3.23Å; P15-E17 VanDerWaalsContact O-N 3.08Å
18	L	82.6	Confident	84.8	Confident	14 Å²	14	60 Å²	60	7%	0.073	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-102.4	-6.8	-173.8	-60.7	-179.6	0	0	0	113.3	P15 P16 E20 I21 L22 P419 I420 P436	P15-L18 HydrophobicContact CB-CD1 4.37Å; P15-L18 HydrophobicContact CB-CG 4.44Å; P15-L18 HydrophobicContact CG-CD1 3.99Å; P15-L18 PolarHBondContact O-N 3.48Å; P16-L18 PolarHBondContact O-N 3.36Å; L18-E20 PolarHBondContact O-N 3.08Å; L18-I21 HydrophobicContact CD2-CD1 3.67Å; L18-I21 PolarHBondContact O-N 3.4Å; L18-L22 PolarHBondContact O-N 3.35Å; L18-L22 VanDerWaalsContact O-N 3.12Å; L18-P419 HydrophobicContact CD1-CB 4.38Å; L18-P419 HydrophobicContact CD1-CG 4.03Å; L18-P419 HydrophobicContact CD2-CB 4.42Å; L18-I420 HydrophobicContact CD1-CD1 3.63Å; L18-I420 HydrophobicContact CD1-CG1 3.47Å; L18-I420 VanDerWaalsContact CD1-CG1 3.47Å; L18-P436 HydrophobicContact CD2-CB 3.97Å; L18-P436 HydrophobicContact CD2-CG 3.37Å
19	K	78.4	Confident	85	Confident	135 Å²	135	63 Å²	63	59%	0.587	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.1	177.1	-70.5	-176.7	178.5	179.1	0	113	P14 P15 I21	P14-K19 HydrophobicContact CB-CG 4.28Å; P14-K19 HydrophobicContact CG-CG 4.14Å; P15-K19 PolarHBondContact O-N 3.35Å; K19-I21 VanDerWaalsContact C-N 3.3Å
20	E	76.6	Confident	85.2	Confident	167 Å²	167	61.1 Å²	61.1	78%	0.78	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-24.2	173.5	-63.8	-170.4	170.2	0	0	112.8	L18	L18-E20 PolarHBondContact O-N 3.08Å
21	I	79.8	Confident	85.5	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-49.2	-176.9	-50.6	-179.7	0	0	0	110.7	L18 K19 I409 V435 P436 L439	L18-I21 HydrophobicContact CD2-CD1 3.67Å; L18-I21 PolarHBondContact O-N 3.4Å; K19-I21 VanDerWaalsContact C-N 3.3Å; I21-I409 HydrophobicContact CG1-CG1 4.38Å; I21-I409 HydrophobicContact CG2-CG1 4.37Å; I21-I409 HydrophobicContact CG2-CG2 4.46Å; I21-V435 HydrophobicContact CD1-CG1 4.27Å; I21-V435 HydrophobicContact CG2-CG1 4.27Å; I21-P436 HydrophobicContact CD1-CG 4.03Å; I21-L439 HydrophobicContact CD1-CD1 3.55Å; I21-L439 HydrophobicContact CG1-CD1 3.8Å
22	L	83.9	Confident	85.9	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.321	C	S	.	.	S	Bend	trans	-133.9	130.5	-179.5	-63.8	175.3	0	0	0	109.8	L18 E26 F27 A30 R413 P419	L18-L22 PolarHBondContact O-N 3.35Å; L18-L22 VanDerWaalsContact O-N 3.12Å; L22-E26 HydrophobicContact CB-CB 4.23Å; L22-E26 HydrophobicContact CD2-CB 4.08Å; L22-F27 HydrophobicContact CB-CB 4.13Å; L22-F27 HydrophobicContact CD1-CD2 4.32Å; L22-A30 HydrophobicContact CD1-CB 4.12Å; L22-R413 HydrophobicContact CD2-CB 3.86Å; L22-R413 HydrophobicContact CD2-CG 4.15Å; L22-P419 HydrophobicContact CD1-CG 4.16Å
23	D	86	Confident	86.5	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	31%	0.306	S	S	.	.			trans	-65.3	163.3	168.6	73	39	0	0	0	110.7	K25 E26 F27 K293	D23-K25 PolarHBondContact O-N 2.85Å; D23-K25 VanDerWaalsContact O-N 3.07Å; D23-K25 WeakPolarHBondContact OD1-CA 3.45Å; D23-K25 WeakPolarHBondContact OD1-CB 3.33Å; D23-K25 PolarHBondContact OD1-N 2.74Å; D23-E26 PolarHBondContact O-N 3.14Å; D23-E26 VanDerWaalsContact O-N 3.15Å; D23-E26 WeakPolarHBondContact OD1-CB 3.45Å; D23-E26 WeakPolarHBondContact OD1-CG 3.34Å; D23-E26 PolarHBondContact OD1-N 3.24Å; D23-E26 VanDerWaalsContact OD2-CD 3.3Å; D23-F27 WeakPolarHBondContact O-CB 3.36Å; D23-F27 PolarHBondContact O-N 2.56Å; D23-K293 IonicContact OD2-NZ 2.75Å; D23-K293 PolarHBondContact OD2-NZ 2.98Å
24	A	87.9	Confident	86.9	Confident	68 Å²	68	54.4 Å²	54.4	56%	0.562	28%	0.281	S	S	*	.	H	α-helix	trans	-56.5	-31.4	-175.2	0	0	0	0	0	113.1	P14 A28	P14-A24 HydrophobicContact CG-CB 4.41Å; A24-A28 WeakPolarHBondContact O-CB 3.39Å; A24-A28 PolarHBondContact O-N 3.2Å; A24-A28 VanDerWaalsContact O-N 3.12Å
25	K	88.5	Confident	87.4	Confident	91 Å²	91	54.5 Å²	54.5	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-76.3	-45.4	179.4	-173.2	177.8	-168.8	168.8	0	111.4	D23 F27 A28 K29 E290	D23-K25 PolarHBondContact O-N 2.85Å; D23-K25 VanDerWaalsContact O-N 3.07Å; D23-K25 WeakPolarHBondContact OD1-CA 3.45Å; D23-K25 WeakPolarHBondContact OD1-CB 3.33Å; D23-K25 PolarHBondContact OD1-N 2.74Å; K25-F27 VanDerWaalsContact C-N 3.33Å; K25-A28 PolarHBondContact O-N 2.81Å; K25-K29 WeakPolarHBondContact O-CG 3.21Å; K25-K29 PolarHBondContact O-N 3.41Å; K25-E290 IonicContact NZ-OE1 3.36Å; K25-E290 PolarHBondContact NZ-OE1 3.33Å; K25-E290 IonicContact NZ-OE2 3.35Å; K25-E290 PolarHBondContact NZ-OE2 3.48Å
26	E	88.3	Confident	87.9	Confident	30 Å²	30	53.5 Å²	53.5	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-39.7	176.4	-70.1	168.8	173.9	0	0	110.8	L22 D23 K29 A30 K293 R413	L22-E26 HydrophobicContact CB-CB 4.23Å; L22-E26 HydrophobicContact CD2-CB 4.08Å; D23-E26 PolarHBondContact O-N 3.14Å; D23-E26 VanDerWaalsContact O-N 3.15Å; D23-E26 WeakPolarHBondContact OD1-CB 3.45Å; D23-E26 WeakPolarHBondContact OD1-CG 3.34Å; D23-E26 PolarHBondContact OD1-N 3.24Å; D23-E26 VanDerWaalsContact OD2-CD 3.3Å; E26-K29 PolarHBondContact O-N 3.32Å; E26-A30 WeakPolarHBondContact O-CB 3.3Å; E26-A30 PolarHBondContact O-N 3.47Å; E26-K293 IonicContact OE1-NZ 2.61Å; E26-K293 PolarHBondContact OE1-NZ 3.31Å; E26-R413 VanDerWaalsContact CD-CD 3.49Å; E26-R413 HydrophobicContact CG-CG 4.38Å; E26-R413 WeakPolarHBondContact OE1-CD 3.43Å; E26-R413 WeakPolarHBondContact OE2-CD 3.42Å; E26-R413 WeakPolarHBondContact OE2-CG 3.41Å
27	F	91.2	Very high	88.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-47.4	173.7	-172	-91.1	0	0	0	111.8	T11 E13 P14 L22 D23 K25 K29 A30 R31 F418 P419 I420	T11-F27 HydrophobicContact CG2-CE1 4.33Å; T11-F27 HydrophobicContact CG2-CZ 3.96Å; T11-F27 WeakPolarHBondContact O-CE1 3.48Å; E13-F27 VanDerWaalsContact C-CE1 3.47Å; P14-F27 HydrophobicContact CB-CB 4.21Å; P14-F27 HydrophobicContact CB-CD1 4.24Å; P14-F27 HydrophobicContact CB-CD2 3.75Å; P14-F27 HydrophobicContact CB-CE2 4.13Å; P14-F27 HydrophobicContact CB-CG 3.81Å; P14-F27 HydrophobicContact CG-CB 4.33Å; P14-F27 HydrophobicContact CG-CG 4.29Å; L22-F27 HydrophobicContact CB-CB 4.13Å; L22-F27 HydrophobicContact CD1-CD2 4.32Å; D23-F27 WeakPolarHBondContact O-CB 3.36Å; D23-F27 PolarHBondContact O-N 2.56Å; K25-F27 VanDerWaalsContact C-N 3.33Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 3.32Å; F27-A30 PolarHBondContact O-N 3.01Å; F27-R31 WeakPolarHBondContact O-CB 3.48Å; F27-R31 PolarHBondContact O-N 3.31Å; F27-F418 HydrophobicContact CD1-CE2 4.24Å; F27-F418 HydrophobicContact CD2-CE2 4.24Å; F27-F418 AromaticContact CE1-CE2 3.68Å; F27-F418 HydrophobicContact CE1-CE2 3.68Å; F27-F418 HydrophobicContact CE1-CZ 4.1Å; F27-F418 HydrophobicContact CE2-CD2 4.38Å; F27-F418 AromaticContact CE2-CE2 3.68Å; F27-F418 HydrophobicContact CE2-CE2 3.68Å; F27-F418 HydrophobicContact CE2-CZ 4.19Å; F27-F418 HydrophobicContact CG-CE2 4.5Å; F27-F418 HydrophobicContact CZ-CD2 4.44Å; F27-F418 AromaticContact CZ-CE2 3.36Å; F27-F418 HydrophobicContact CZ-CE2 3.36Å; F27-F418 AromaticContact CZ-CZ 3.6Å; F27-F418 HydrophobicContact CZ-CZ 3.6Å; F27-P419 HydrophobicContact CD2-CG 4.22Å; F27-P419 HydrophobicContact CE2-CG 3.92Å; F27-I420 HydrophobicContact CE2-CD1 4.08Å; F27-I420 HydrophobicContact CZ-CD1 3.84Å
28	A	91.6	Very high	89	Confident	35 Å²	35	44 Å²	44	29%	0.289	22%	0.224	S	C	.	.	H	α-helix	trans	-61.8	-40.7	176.5	0	0	0	0	0	112.2	A24 K25 R31 L32	A24-A28 WeakPolarHBondContact O-CB 3.39Å; A24-A28 PolarHBondContact O-N 3.2Å; A24-A28 VanDerWaalsContact O-N 3.12Å; K25-A28 PolarHBondContact O-N 2.81Å; A28-R31 PolarHBondContact O-N 3.4Å; A28-L32 WeakPolarHBondContact O-CG 3.42Å; A28-L32 PolarHBondContact O-N 3.5Å
29	K	92.2	Very high	89.5	Confident	63 Å²	63	47.1 Å²	47.1	27%	0.274	24%	0.236	S	C	.	.	H	α-helix	trans	-63.3	-49.1	174.6	-74.9	-179.8	178.7	-179.1	0	112	K25 E26 F27 R31 L32 Y33 L416	K25-K29 WeakPolarHBondContact O-CG 3.21Å; K25-K29 PolarHBondContact O-N 3.41Å; E26-K29 PolarHBondContact O-N 3.32Å; F27-K29 VanDerWaalsContact C-N 3.34Å; F27-K29 PolarHBondContact O-N 3.32Å; K29-R31 VanDerWaalsContact C-N 3.28Å; K29-R31 PolarHBondContact O-N 3.37Å; K29-L32 PolarHBondContact O-N 3.48Å; K29-Y33 WeakPolarHBondContact O-CB 3.28Å; K29-Y33 PolarHBondContact O-N 3.12Å; K29-L416 HydrophobicContact CB-CD1 4.23Å; K29-L416 HydrophobicContact CB-CD2 4.11Å
30	A	92.4	Very high	90.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-40.1	177.4	0	0	0	0	0	112	L22 E26 F27 K34 L416 F418	L22-A30 HydrophobicContact CD1-CB 4.12Å; E26-A30 WeakPolarHBondContact O-CB 3.3Å; E26-A30 PolarHBondContact O-N 3.47Å; F27-A30 PolarHBondContact O-N 3.01Å; A30-K34 VanDerWaalsContact O-CB 3.32Å; A30-K34 WeakPolarHBondContact O-CB 3.47Å; A30-K34 PolarHBondContact O-N 3.22Å; A30-L416 HydrophobicContact CB-CB 4.12Å; A30-L416 HydrophobicContact CB-CD2 4.44Å; A30-L416 WeakPolarHBondContact CB-O 3.34Å; A30-F418 HydrophobicContact CB-CB 4.44Å; A30-F418 HydrophobicContact CB-CD2 4.25Å
31	R	93.4	Very high	91.1	Very high	49 Å²	49	35.9 Å²	35.9	19%	0.185	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-52.2	174.6	-168.9	178.7	76.7	124.7	-6.2	111.7	Q8 A9 T11 F27 A28 K29 Y33 K34 L35 F418	Q8-R31 VanDerWaalsContact O-CD 3.28Å; Q8-R31 WeakPolarHBondContact O-CD 3.1Å; Q8-R31 WeakPolarHBondContact O-CG 3.24Å; A9-R31 PolarHBondContact O-NH1 2.87Å; T11-R31 WeakPolarHBondContact O-CD 3.23Å; F27-R31 WeakPolarHBondContact O-CB 3.48Å; F27-R31 PolarHBondContact O-N 3.31Å; A28-R31 PolarHBondContact O-N 3.4Å; K29-R31 VanDerWaalsContact C-N 3.28Å; K29-R31 PolarHBondContact O-N 3.37Å; R31-Y33 VanDerWaalsContact C-N 3.34Å; R31-Y33 PolarHBondContact O-N 3Å; R31-K34 PolarHBondContact O-N 3.45Å; R31-L35 HydrophobicContact CG-CD1 4.13Å; R31-L35 WeakPolarHBondContact O-CB 3.42Å; R31-L35 VanDerWaalsContact O-CG 3.26Å; R31-L35 WeakPolarHBondContact O-CG 3.41Å; R31-L35 PolarHBondContact O-N 2.85Å; R31-F418 HydrophobicContact CB-CD2 3.88Å; R31-F418 HydrophobicContact CB-CE2 3.56Å; R31-F418 HydrophobicContact CB-CZ 4.29Å; R31-F418 HydrophobicContact CG-CD2 4.45Å; R31-F418 HydrophobicContact CG-CE2 3.84Å; R31-F418 HydrophobicContact CG-CZ 4.06Å
32	L	93.7	Very high	91.7	Very high	64 Å²	64	40.2 Å²	40.2	34%	0.335	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-42.2	-179.9	-71	174.6	0	0	0	111.9	A28 K29 L35 D36	A28-L32 WeakPolarHBondContact O-CG 3.42Å; A28-L32 PolarHBondContact O-N 3.5Å; K29-L32 PolarHBondContact O-N 3.48Å; L32-L35 PolarHBondContact O-N 3.49Å; L32-D36 PolarHBondContact O-N 2.7Å
33	Y	94.7	Very high	92.2	Very high	18 Å²	18	42.8 Å²	42.8	7%	0.071	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-49.7	174.9	177.5	-133.3	0	0	0	111.5	K29 R31 L35 D36 L37 I110 E111 H114 F116 L416	K29-Y33 WeakPolarHBondContact O-CB 3.28Å; K29-Y33 PolarHBondContact O-N 3.12Å; R31-Y33 VanDerWaalsContact C-N 3.34Å; R31-Y33 PolarHBondContact O-N 3Å; Y33-L35 VanDerWaalsContact C-N 3.34Å; Y33-L35 PolarHBondContact O-N 3.33Å; Y33-D36 PolarHBondContact O-N 2.78Å; Y33-L37 HydrophobicContact CD1-CD1 4.37Å; Y33-L37 HydrophobicContact CD2-CD1 4.17Å; Y33-L37 HydrophobicContact CD2-CG 4.18Å; Y33-L37 HydrophobicContact CE1-CD1 3.91Å; Y33-L37 HydrophobicContact CE2-CD1 3.71Å; Y33-L37 HydrophobicContact CE2-CD2 4.19Å; Y33-L37 HydrophobicContact CE2-CG 3.87Å; Y33-L37 HydrophobicContact CG-CD1 4.49Å; Y33-L37 WeakPolarHBondContact O-CG 3.48Å; Y33-L37 PolarHBondContact O-N 3.15Å; Y33-I110 HydrophobicContact CD2-CG2 4.27Å; Y33-I110 HydrophobicContact CE2-CG2 4.17Å; Y33-E111 PolarHBondContact OH-OE1 3.16Å; Y33-E111 PolarHBondContact OH-OE2 2.99Å; Y33-H114 WeakPolarHBondContact CA-CE1 3.32Å; Y33-H114 WeakPolarHBondContact CA-NE2 3.37Å; Y33-H114 HydrophobicContact CD2-CB 3.84Å; Y33-H114 AromaticContact CD2-CD2 3.48Å; Y33-H114 VanDerWaalsContact CD2-CD2 3.48Å; Y33-H114 WeakPolarHBondContact CD2-CD2 3.46Å; Y33-H114 AromaticContact CD2-CG 3.55Å; Y33-H114 HydrophobicContact CE2-CB 4.37Å; Y33-H114 HydrophobicContact CG-CB 4.34Å; Y33-H114 PolarHBondContact N-CE1 2.9Å; Y33-H114 VanDerWaalsContact N-CE1 3.29Å; Y33-F116 AromaticContact CD1-CE2 3.92Å; Y33-F116 HydrophobicContact CD1-CE2 3.92Å; Y33-F116 HydrophobicContact CD2-CE2 4.39Å; Y33-F116 HydrophobicContact CE1-CD2 4.3Å; Y33-F116 AromaticContact CE1-CE2 3.7Å; Y33-F116 HydrophobicContact CE1-CE2 3.7Å; Y33-F116 HydrophobicContact CE1-CZ 4.39Å; Y33-F116 HydrophobicContact CE2-CD2 4.12Å; Y33-F116 HydrophobicContact CE2-CE2 4.19Å; Y33-F116 HydrophobicContact CG-CE2 4.27Å; Y33-F116 AromaticContact CZ-CD2 3.96Å; Y33-F116 AromaticContact CZ-CE2 3.83Å; Y33-L416 HydrophobicContact CD1-CB 4.03Å
34	K	92.9	Very high	92.6	Very high	48 Å²	48	42.1 Å²	42.1	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-38.9	179.1	-164.8	69.9	167.9	-166.3	0	112.5	A30 R31 L37 A38 F418	A30-K34 VanDerWaalsContact O-CB 3.32Å; A30-K34 WeakPolarHBondContact O-CB 3.47Å; A30-K34 PolarHBondContact O-N 3.22Å; R31-K34 PolarHBondContact O-N 3.45Å; K34-L37 PolarHBondContact O-N 3.01Å; K34-A38 WeakPolarHBondContact O-CB 3.34Å; K34-A38 PolarHBondContact O-N 3.1Å; K34-F418 HydrophobicContact CB-CB 4Å; K34-F418 HydrophobicContact CG-CB 4.1Å
35	L	94.1	Very high	92.9	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.073	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-41.6	177.3	-71.2	173.6	0	0	0	112.2	Y5 Q8 A9 R31 L32 Y33 A38 K39	Y5-L35 HydrophobicContact CD2-CD2 3.69Å; Y5-L35 HydrophobicContact CE2-CB 4.37Å; Y5-L35 HydrophobicContact CE2-CD2 3.47Å; Y5-L35 VanDerWaalsContact CE2-CD2 3.47Å; Y5-L35 HydrophobicContact CE2-CG 4.49Å; Y5-L35 HydrophobicContact CG-CD2 4.35Å; Q8-L35 HydrophobicContact CB-CD2 4.06Å; A9-L35 HydrophobicContact CB-CD2 4.14Å; R31-L35 HydrophobicContact CG-CD1 4.13Å; R31-L35 WeakPolarHBondContact O-CB 3.42Å; R31-L35 VanDerWaalsContact O-CG 3.26Å; R31-L35 WeakPolarHBondContact O-CG 3.41Å; R31-L35 PolarHBondContact O-N 2.85Å; L32-L35 PolarHBondContact O-N 3.49Å; Y33-L35 VanDerWaalsContact C-N 3.34Å; Y33-L35 PolarHBondContact O-N 3.33Å; L35-A38 PolarHBondContact O-N 3.37Å; L35-K39 WeakPolarHBondContact O-CG 3.38Å; L35-K39 PolarHBondContact O-N 2.81Å
36	D	95.3	Very high	93.2	Very high	16 Å²	16	41.6 Å²	41.6	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-43.6	176.1	-74.1	-22.1	0	0	0	111.1	L32 Y33 A38 K39 L40 I110 K113 H114	L32-D36 PolarHBondContact O-N 2.7Å; Y33-D36 PolarHBondContact O-N 2.78Å; D36-A38 PolarHBondContact O-N 3.17Å; D36-K39 PolarHBondContact O-N 3.26Å; D36-L40 PolarHBondContact O-N 3.1Å; D36-I110 HydrophobicContact CB-CG2 4.12Å; D36-K113 IonicContact OD1-NZ 2.67Å; D36-K113 PolarHBondContact OD1-NZ 3.15Å; D36-K113 WeakPolarHBondContact OD2-CE 3.28Å; D36-K113 IonicContact OD2-NZ 3.2Å; D36-K113 PolarHBondContact OD2-NZ 2.97Å; D36-H114 IonicContact OD2-CD2 2.76Å; D36-H114 IonicContact OD2-CE1 2.7Å; D36-H114 IonicContact OD2-NE2 2.7Å; D36-H114 PolarHBondContact OD2-NE2 3.42Å
37	L	93.5	Very high	93.5	Very high	26 Å²	26	42.9 Å²	42.9	14%	0.136	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-42.6	173.5	-72.4	177.8	0	0	0	112.4	Y33 K34 L40 S41 I110	Y33-L37 HydrophobicContact CD1-CD1 4.37Å; Y33-L37 HydrophobicContact CD2-CD1 4.17Å; Y33-L37 HydrophobicContact CD2-CG 4.18Å; Y33-L37 HydrophobicContact CE1-CD1 3.91Å; Y33-L37 HydrophobicContact CE2-CD1 3.71Å; Y33-L37 HydrophobicContact CE2-CD2 4.19Å; Y33-L37 HydrophobicContact CE2-CG 3.87Å; Y33-L37 HydrophobicContact CG-CD1 4.49Å; Y33-L37 WeakPolarHBondContact O-CG 3.48Å; Y33-L37 PolarHBondContact O-N 3.15Å; K34-L37 PolarHBondContact O-N 3.01Å; L37-L40 PolarHBondContact O-N 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.5Å; L37-S41 PolarHBondContact O-N 3.07Å; L37-I110 HydrophobicContact CD2-CG2 4Å; L37-I110 HydrophobicContact CG-CG2 4.37Å
38	A	92.5	Very high	93.7	Very high	14 Å²	14	46.1 Å²	46.1	12%	0.116	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-39.9	178.7	0	0	0	0	0	111.9	Y5 K34 L35 D36 F42	Y5-A38 HydrophobicContact CD2-CB 4.02Å; K34-A38 WeakPolarHBondContact O-CB 3.34Å; K34-A38 PolarHBondContact O-N 3.1Å; L35-A38 PolarHBondContact O-N 3.37Å; D36-A38 PolarHBondContact O-N 3.17Å; A38-F42 WeakPolarHBondContact O-CB 3.37Å; A38-F42 PolarHBondContact O-N 2.84Å
39	K	93.5	Very high	93.8	Very high	78 Å²	78	50.2 Å²	50.2	34%	0.339	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-46.6	174.3	-72.6	171.7	-175.7	175.6	0	111.6	Y5 L35 D36 F42 C43	Y5-K39 HydrophobicContact CE2-CG 4Å; Y5-K39 WeakPolarHBondContact OH-CE 3.36Å; L35-K39 WeakPolarHBondContact O-CG 3.38Å; L35-K39 PolarHBondContact O-N 2.81Å; D36-K39 PolarHBondContact O-N 3.26Å; K39-F42 PolarHBondContact O-N 3.31Å; K39-C43 PolarHBondContact O-N 3Å; K39-C43 PolarHBondContact O-SG 3.34Å; K39-C43 VanDerWaalsContact O-SG 3.4Å
40	L	94.9	Very high	94	Very high	24 Å²	24	51.7 Å²	51.7	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-48.5	177.6	180	65.3	0	0	0	111.2	D36 L37 F42 C43 H44 W102 I105 R106 I110	D36-L40 PolarHBondContact O-N 3.1Å; L37-L40 PolarHBondContact O-N 3.25Å; L40-F42 VanDerWaalsContact C-N 3.33Å; L40-F42 PolarHBondContact O-N 3.45Å; L40-C43 PolarHBondContact O-N 3.37Å; L40-H44 VanDerWaalsContact O-CB 3.29Å; L40-H44 WeakPolarHBondContact O-CB 3.37Å; L40-H44 PolarHBondContact O-N 3.4Å; L40-W102 HydrophobicContact CD1-CE3 3.91Å; L40-W102 HydrophobicContact CD1-CZ3 4.25Å; L40-I105 HydrophobicContact CD1-CB 4.41Å; L40-I105 HydrophobicContact CD1-CG2 3.72Å; L40-I105 HydrophobicContact CD2-CG2 4.35Å; L40-R106 HydrophobicContact CD2-CB 3.83Å; L40-R106 HydrophobicContact CD2-CG 4.49Å; L40-I110 HydrophobicContact CB-CD1 3.63Å; L40-I110 HydrophobicContact CD2-CD1 3.5Å; L40-I110 VanDerWaalsContact CD2-CD1 3.5Å; L40-I110 HydrophobicContact CG-CD1 4.09Å
41	S	92.4	Very high	94.1	Very high	42 Å²	42	54 Å²	54	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-56.3	-48.2	177	-169.7	0	0	0	0	110.8	M1 L37 C43 H44 D45	M1-S41 WeakPolarHBondContact CE-OG 3.36Å; L37-S41 WeakPolarHBondContact O-CB 3.5Å; L37-S41 PolarHBondContact O-N 3.07Å; S41-C43 PolarHBondContact O-N 2.99Å; S41-H44 PolarHBondContact O-N 2.97Å; S41-D45 WeakPolarHBondContact O-CB 3.49Å; S41-D45 PolarHBondContact O-N 3.05Å; S41-D45 VanDerWaalsContact O-OD2 3.11Å; S41-D45 PolarHBondContact OG-OD2 3.14Å
42	F	92.9	Very high	94.1	Very high	102 Å²	102	53.6 Å²	53.6	45%	0.447	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-45.4	179.2	-174.8	-107.8	0	0	0	112.7	M1 A38 K39 L40 I46	M1-F42 HydrophobicContact SD-CB 3.63Å; M1-F42 HydrophobicContact SD-CD2 3.75Å; M1-F42 HydrophobicContact SD-CG 4.17Å; A38-F42 WeakPolarHBondContact O-CB 3.37Å; A38-F42 PolarHBondContact O-N 2.84Å; K39-F42 PolarHBondContact O-N 3.31Å; L40-F42 VanDerWaalsContact C-N 3.33Å; L40-F42 PolarHBondContact O-N 3.45Å; F42-I46 HydrophobicContact CD1-CD1 3.85Å; F42-I46 HydrophobicContact CE1-CD1 3.35Å; F42-I46 HydrophobicContact CE2-CD1 4.08Å; F42-I46 HydrophobicContact CG-CD1 4.41Å; F42-I46 HydrophobicContact CZ-CD1 3.5Å; F42-I46 VanDerWaalsContact CZ-CD1 3.5Å; F42-I46 HydrophobicContact CZ-CG1 4.48Å; F42-I46 WeakPolarHBondContact O-CG1 2.98Å; F42-I46 PolarHBondContact O-N 3.23Å; F42-I46 VanDerWaalsContact O-N 3.14Å
43	C	95.3	Very high	94.1	Very high	55 Å²	55	53.2 Å²	53.2	37%	0.372	28%	0.278	S	S	.	.	H	α-helix	trans	-64.9	-44.5	177.1	-69.8	0	0	0	0	112.1	K39 L40 S41 I46 V47 W102	K39-C43 PolarHBondContact O-N 3Å; K39-C43 PolarHBondContact O-SG 3.34Å; K39-C43 VanDerWaalsContact O-SG 3.4Å; L40-C43 PolarHBondContact O-N 3.37Å; S41-C43 PolarHBondContact O-N 2.99Å; C43-I46 PolarHBondContact O-N 3.09Å; C43-V47 WeakPolarHBondContact O-CG2 3.41Å; C43-V47 PolarHBondContact O-N 2.81Å; C43-V47 VanDerWaalsContact O-N 3.08Å; C43-W102 HydrophobicContact CB-CZ3 4.42Å
44	H	94.3	Very high	94.2	Very high	48 Å²	48	56.3 Å²	56.3	22%	0.222	30%	0.295	C	S	.	.	H	α-helix	trans	-58.1	-51.5	176.8	173.7	-88.4	0	0	0	110.8	L40 S41 I46 V47 D48 W102	L40-H44 VanDerWaalsContact O-CB 3.29Å; L40-H44 WeakPolarHBondContact O-CB 3.37Å; L40-H44 PolarHBondContact O-N 3.4Å; S41-H44 PolarHBondContact O-N 2.97Å; H44-I46 VanDerWaalsContact C-N 3.31Å; H44-I46 PolarHBondContact O-N 2.94Å; H44-V47 PolarHBondContact O-N 2.94Å; H44-V47 VanDerWaalsContact O-N 3.08Å; H44-D48 WeakPolarHBondContact O-CB 3.29Å; H44-D48 PolarHBondContact O-N 3.35Å; H44-W102 HydrophobicContact CB-CD2 4.4Å; H44-W102 HydrophobicContact CB-CE3 4.26Å; H44-W102 HydrophobicContact CB-CZ3 4.47Å; H44-W102 AromaticContact CD2-CD1 3.56Å; H44-W102 AromaticContact CD2-CD2 3.71Å; H44-W102 AromaticContact CD2-CE2 3.94Å; H44-W102 AromaticContact CD2-CG 3.49Å; H44-W102 VanDerWaalsContact CD2-CG 3.49Å; H44-W102 AromaticContact CD2-NE1 3.83Å
45	D	93.2	Very high	94.2	Very high	71 Å²	71	56.4 Å²	56.4	38%	0.38	30%	0.298	S	S	.	.	H	α-helix	trans	-63.8	-35.5	-176.2	-59.3	-17.1	0	0	0	111.8	M1 S41 Q49	M1-D45 VanDerWaalsContact CE-OD2 3.31Å; M1-D45 WeakPolarHBondContact CE-OD2 3.45Å; S41-D45 WeakPolarHBondContact O-CB 3.49Å; S41-D45 PolarHBondContact O-N 3.05Å; S41-D45 VanDerWaalsContact O-OD2 3.11Å; S41-D45 PolarHBondContact OG-OD2 3.14Å; D45-Q49 VanDerWaalsContact O-CB 3.28Å; D45-Q49 WeakPolarHBondContact O-CB 3.3Å; D45-Q49 PolarHBondContact O-N 3.16Å
46	I	95.1	Very high	94.1	Very high	76 Å²	76	58.7 Å²	58.7	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-47.4	172.5	-73.1	171.6	0	0	0	111.1	F42 C43 H44 D48 Q49 I50	F42-I46 HydrophobicContact CD1-CD1 3.85Å; F42-I46 HydrophobicContact CE1-CD1 3.35Å; F42-I46 HydrophobicContact CE2-CD1 4.08Å; F42-I46 HydrophobicContact CG-CD1 4.41Å; F42-I46 HydrophobicContact CZ-CD1 3.5Å; F42-I46 VanDerWaalsContact CZ-CD1 3.5Å; F42-I46 HydrophobicContact CZ-CG1 4.48Å; F42-I46 WeakPolarHBondContact O-CG1 2.98Å; F42-I46 PolarHBondContact O-N 3.23Å; F42-I46 VanDerWaalsContact O-N 3.14Å; C43-I46 PolarHBondContact O-N 3.09Å; H44-I46 VanDerWaalsContact C-N 3.31Å; H44-I46 PolarHBondContact O-N 2.94Å; I46-D48 VanDerWaalsContact C-N 3.33Å; I46-Q49 PolarHBondContact O-N 3.24Å; I46-I50 HydrophobicContact CG2-CD1 3.85Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.11Å; I46-I50 PolarHBondContact O-N 3.02Å
47	V	95.7	Very high	94	Very high	58 Å²	58	64.1 Å²	64.1	35%	0.352	34%	0.338	S	S	.	.	H	α-helix	trans	-66.1	-40.4	-179.7	174.8	0	0	0	0	110.6	C43 H44 I50 Q51 W102	C43-V47 WeakPolarHBondContact O-CG2 3.41Å; C43-V47 PolarHBondContact O-N 2.81Å; C43-V47 VanDerWaalsContact O-N 3.08Å; H44-V47 PolarHBondContact O-N 2.94Å; H44-V47 VanDerWaalsContact O-N 3.08Å; V47-I50 PolarHBondContact O-N 3.45Å; V47-Q51 VanDerWaalsContact O-CB 3.28Å; V47-Q51 WeakPolarHBondContact O-CB 3.35Å; V47-Q51 PolarHBondContact O-N 3.04Å; V47-W102 HydrophobicContact CB-CH2 4.22Å; V47-W102 HydrophobicContact CB-CZ2 3.71Å; V47-W102 HydrophobicContact CG1-CZ2 3.82Å; V47-W102 HydrophobicContact CG2-CH2 3.88Å; V47-W102 HydrophobicContact CG2-CZ2 3.81Å
48	D	93.4	Very high	94.1	Very high	68 Å²	68	68.1 Å²	68.1	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-40	176.4	-170.1	58.4	0	0	0	111.8	H44 I46 Q51 T52	H44-D48 WeakPolarHBondContact O-CB 3.29Å; H44-D48 PolarHBondContact O-N 3.35Å; I46-D48 VanDerWaalsContact C-N 3.33Å; D48-Q51 PolarHBondContact O-N 3.14Å; D48-T52 WeakPolarHBondContact O-CB 3.5Å; D48-T52 PolarHBondContact O-N 3.29Å; D48-T52 PolarHBondContact O-OG1 2.7Å
49	Q	95	Very high	94.1	Very high	121 Å²	121	71.4 Å²	71.4	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-64.2	-42.7	173.1	-175	61.1	54.4	0	0	112	D45 I46 T53	D45-Q49 VanDerWaalsContact O-CB 3.28Å; D45-Q49 WeakPolarHBondContact O-CB 3.3Å; D45-Q49 PolarHBondContact O-N 3.16Å; I46-Q49 PolarHBondContact O-N 3.24Å; Q49-T53 WeakPolarHBondContact O-CB 3.2Å; Q49-T53 PolarHBondContact O-N 2.76Å; Q49-T53 PolarHBondContact O-OG1 2.85Å
50	I	96.2	Very high	94.2	Very high	93 Å²	93	71.4 Å²	71.4	48%	0.477	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-46.9	174.8	-69.3	166.4	0	0	0	109.9	I46 V47 T52 T53 L54	I46-I50 HydrophobicContact CG2-CD1 3.85Å; I46-I50 VanDerWaalsContact O-CG1 3.29Å; I46-I50 WeakPolarHBondContact O-CG1 3.11Å; I46-I50 PolarHBondContact O-N 3.02Å; V47-I50 PolarHBondContact O-N 3.45Å; I50-T52 PolarHBondContact O-N 3.48Å; I50-T53 PolarHBondContact O-N 2.59Å; I50-L54 HydrophobicContact CG2-CD1 3.89Å; I50-L54 HydrophobicContact CG2-CG 4.28Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.48Å; I50-L54 PolarHBondContact O-N 3.36Å
51	Q	94.3	Very high	94.2	Very high	48 Å²	48	72 Å²	72	22%	0.224	38%	0.381	C	S	.	.	H	α-helix	trans	-57.9	-50.1	178.3	178.8	-175.6	-74.3	0	0	111.1	V47 D48 T53 L54 I55 L98	V47-Q51 VanDerWaalsContact O-CB 3.28Å; V47-Q51 WeakPolarHBondContact O-CB 3.35Å; V47-Q51 PolarHBondContact O-N 3.04Å; D48-Q51 PolarHBondContact O-N 3.14Å; Q51-T53 VanDerWaalsContact C-N 3.32Å; Q51-T53 PolarHBondContact O-N 2.82Å; Q51-L54 PolarHBondContact O-N 2.87Å; Q51-I55 HydrophobicContact CG-CD1 3.9Å; Q51-I55 WeakPolarHBondContact O-CB 3.09Å; Q51-I55 VanDerWaalsContact O-CG1 3.29Å; Q51-I55 WeakPolarHBondContact O-CG1 3.32Å; Q51-I55 PolarHBondContact O-N 2.97Å; Q51-L98 HydrophobicContact CG-CD1 4.48Å; Q51-L98 VanDerWaalsContact OE1-CD1 3.24Å
52	T	92.6	Very high	94.3	Very high	41 Å²	41	70.8 Å²	70.8	25%	0.252	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-43	177.2	-61.4	0	0	0	0	111.2	D48 I50 L54 I55 L56 F367	D48-T52 WeakPolarHBondContact O-CB 3.5Å; D48-T52 PolarHBondContact O-N 3.29Å; D48-T52 PolarHBondContact O-OG1 2.7Å; I50-T52 PolarHBondContact O-N 3.48Å; T52-L54 PolarHBondContact O-N 3.41Å; T52-I55 PolarHBondContact O-N 2.92Å; T52-L56 HydrophobicContact CG2-CD1 4.41Å; T52-L56 WeakPolarHBondContact O-CG 3.29Å; T52-L56 PolarHBondContact O-N 2.99Å; T52-L56 VanDerWaalsContact O-N 3.1Å; T52-F367 HydrophobicContact CG2-CE1 4.4Å
53	T	95.3	Very high	94.5	Very high	57 Å²	57	68.4 Å²	68.4	35%	0.35	37%	0.371	S	S	.	.	H	α-helix	trans	-62.1	-43	176.5	-54.6	0	0	0	0	111.5	Q49 I50 Q51 L56 L57	Q49-T53 WeakPolarHBondContact O-CB 3.2Å; Q49-T53 PolarHBondContact O-N 2.76Å; Q49-T53 PolarHBondContact O-OG1 2.85Å; I50-T53 PolarHBondContact O-N 2.59Å; Q51-T53 VanDerWaalsContact C-N 3.32Å; Q51-T53 PolarHBondContact O-N 2.82Å; T53-L56 PolarHBondContact O-N 2.85Å; T53-L57 HydrophobicContact CG2-CD1 3.72Å; T53-L57 HydrophobicContact CG2-CG 4.22Å; T53-L57 WeakPolarHBondContact O-CB 3.41Å; T53-L57 VanDerWaalsContact O-CG 3.25Å; T53-L57 WeakPolarHBondContact O-CG 3.29Å; T53-L57 PolarHBondContact O-N 3.29Å
54	L	95.5	Very high	94.5	Very high	82 Å²	82	67.5 Å²	67.5	43%	0.429	36%	0.362	S	S	.	.	H	α-helix	trans	-67.2	-39	176.4	-68.7	174.4	0	0	0	112.4	I50 Q51 T52 L56 L57 L58	I50-L54 HydrophobicContact CG2-CD1 3.89Å; I50-L54 HydrophobicContact CG2-CG 4.28Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.48Å; I50-L54 PolarHBondContact O-N 3.36Å; Q51-L54 PolarHBondContact O-N 2.87Å; T52-L54 PolarHBondContact O-N 3.41Å; L54-L56 VanDerWaalsContact C-N 3.25Å; L54-L56 PolarHBondContact O-N 3.15Å; L54-L57 PolarHBondContact O-N 3.11Å; L54-L58 HydrophobicContact CB-CD1 4.38Å; L54-L58 HydrophobicContact CD2-CD1 4.36Å; L54-L58 VanDerWaalsContact O-CB 3.25Å; L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.36Å; L54-L58 PolarHBondContact O-N 3.25Å
55	I	93	Very high	94.7	Very high	50 Å²	50	65.3 Å²	65.3	26%	0.256	35%	0.352	S	S	.	.	H	α-helix	trans	-57.8	-41.9	175.7	-75.4	166.8	0	0	0	110.8	Q51 T52 L60 I61	Q51-I55 HydrophobicContact CG-CD1 3.9Å; Q51-I55 WeakPolarHBondContact O-CB 3.09Å; Q51-I55 VanDerWaalsContact O-CG1 3.29Å; Q51-I55 WeakPolarHBondContact O-CG1 3.32Å; Q51-I55 PolarHBondContact O-N 2.97Å; T52-I55 PolarHBondContact O-N 2.92Å; I55-L60 HydrophobicContact CB-CB 4.44Å; I55-L60 HydrophobicContact CG1-CB 4.41Å; I55-L60 HydrophobicContact CG1-CD1 4.01Å; I55-L60 HydrophobicContact CG2-CB 4.29Å; I55-L60 PolarHBondContact O-N 3.05Å; I55-I61 HydrophobicContact CG2-CD1 4.09Å; I55-I61 HydrophobicContact CG2-CG1 3.66Å
56	L	92.3	Very high	94.8	Very high	63 Å²	63	66.1 Å²	66.1	33%	0.33	36%	0.356	S	S	.	.	H	α-helix	trans	-75.6	-43.7	178.9	-63.4	177.8	0	0	0	112.5	T52 T53 L54 I61 F349 F367	T52-L56 HydrophobicContact CG2-CD1 4.41Å; T52-L56 WeakPolarHBondContact O-CG 3.29Å; T52-L56 PolarHBondContact O-N 2.99Å; T52-L56 VanDerWaalsContact O-N 3.1Å; T53-L56 PolarHBondContact O-N 2.85Å; L54-L56 VanDerWaalsContact C-N 3.25Å; L54-L56 PolarHBondContact O-N 3.15Å; L56-I61 HydrophobicContact CD2-CD1 4.08Å; L56-F349 HydrophobicContact CD2-CD1 3.74Å; L56-F349 HydrophobicContact CD2-CE1 3.44Å; L56-F349 VanDerWaalsContact CD2-CE1 3.44Å; L56-F367 HydrophobicContact CD1-CE1 4.17Å; L56-F367 HydrophobicContact CD2-CE1 4.31Å; L56-F367 HydrophobicContact CD2-CZ 4.04Å
57	L	94.1	Very high	94.9	Very high	130 Å²	130	66.3 Å²	66.3	68%	0.681	36%	0.358	S	S	*	.	H	α-helix	trans	-73.4	-25.6	-176.7	-70.8	178.5	0	0	0	114	T53 L54	T53-L57 HydrophobicContact CG2-CD1 3.72Å; T53-L57 HydrophobicContact CG2-CG 4.22Å; T53-L57 WeakPolarHBondContact O-CB 3.41Å; T53-L57 VanDerWaalsContact O-CG 3.25Å; T53-L57 WeakPolarHBondContact O-CG 3.29Å; T53-L57 PolarHBondContact O-N 3.29Å; L54-L57 PolarHBondContact O-N 3.11Å
58	L	94.9	Very high	95	Very high	110 Å²	110	63.5 Å²	63.5	58%	0.576	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	14	-177.3	-57	176.8	0	0	0	112.8	L54 L60	L54-L58 HydrophobicContact CB-CD1 4.38Å; L54-L58 HydrophobicContact CD2-CD1 4.36Å; L54-L58 VanDerWaalsContact O-CB 3.25Å; L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.36Å; L54-L58 PolarHBondContact O-N 3.25Å; L58-L60 HydrophobicContact CB-CD2 3.99Å; L58-L60 HydrophobicContact CB-CG 4Å; L58-L60 PolarHBondContact O-N 2.96Å; L58-L60 VanDerWaalsContact O-N 3.15Å
59	D	93.4	Very high	95.1	Very high	82 Å²	82	60.9 Å²	60.9	44%	0.439	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	40.6	-178.9	-66.4	-42.9	0	0	0	113.2	I61 P62 A63	D59-I61 PolarHBondContact O-N 3.03Å; D59-P62 HydrophobicContact CB-CG 4.2Å; D59-P62 VanDerWaalsContact O-CD 3.3Å; D59-P62 WeakPolarHBondContact O-CD 3.31Å; D59-A63 PolarHBondContact O-N 2.87Å; D59-A63 VanDerWaalsContact O-N 3.11Å
60	L	94.5	Very high	95.2	Very high	78 Å²	78	59.4 Å²	59.4	41%	0.408	33%	0.325	S	S	.	.	H	α-helix	trans	-70.4	-22.8	-177.4	-61.2	-170.5	0	0	0	112.3	I55 L58 A63 L64	I55-L60 HydrophobicContact CB-CB 4.44Å; I55-L60 HydrophobicContact CG1-CB 4.41Å; I55-L60 HydrophobicContact CG1-CD1 4.01Å; I55-L60 HydrophobicContact CG2-CB 4.29Å; I55-L60 PolarHBondContact O-N 3.05Å; L58-L60 HydrophobicContact CB-CD2 3.99Å; L58-L60 HydrophobicContact CB-CG 4Å; L58-L60 PolarHBondContact O-N 2.96Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L60-A63 PolarHBondContact O-N 2.67Å; L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 2.97Å
61	I	94.9	Very high	95.2	Very high	38 Å²	38	56.7 Å²	56.7	20%	0.195	31%	0.311	C	S	.	.	H	α-helix	trans	-67.4	-53.9	175.7	-58.3	174.4	0	0	0	110.5	I55 L56 D59 A63 L64 W65 F349 F351 I359	I55-I61 HydrophobicContact CG2-CD1 4.09Å; I55-I61 HydrophobicContact CG2-CG1 3.66Å; L56-I61 HydrophobicContact CD2-CD1 4.08Å; D59-I61 PolarHBondContact O-N 3.03Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 3.03Å; I61-L64 PolarHBondContact O-N 2.75Å; I61-W65 PolarHBondContact O-N 3.31Å; I61-F349 HydrophobicContact CD1-CD1 4.07Å; I61-F351 HydrophobicContact CG2-CE2 3.85Å; I61-F351 HydrophobicContact CG2-CZ 4.2Å; I61-I359 HydrophobicContact CG2-CD1 3.87Å
62	P	95.6	Very high	95.4	Very high	15 Å²	15	54.7 Å²	54.7	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-54.9	-42.5	168.9	-27.6	31.8	0	0	0	113.9	D59 L64 W65 N66 F349 F351	D59-P62 HydrophobicContact CB-CG 4.2Å; D59-P62 VanDerWaalsContact O-CD 3.3Å; D59-P62 WeakPolarHBondContact O-CD 3.31Å; P62-L64 VanDerWaalsContact C-N 3.33Å; P62-L64 PolarHBondContact O-N 3.36Å; P62-W65 PolarHBondContact O-N 3.22Å; P62-N66 WeakPolarHBondContact O-CB 3.27Å; P62-N66 PolarHBondContact O-N 3.46Å; P62-N66 PolarHBondContact O-ND2 3.37Å; P62-F349 VanDerWaalsContact CD-O 3.31Å; P62-F349 WeakPolarHBondContact CD-O 3.44Å; P62-F349 WeakPolarHBondContact CG-O 3.3Å; P62-F351 HydrophobicContact CB-CE2 4.28Å; P62-F351 HydrophobicContact CB-CZ 4.31Å; P62-F351 HydrophobicContact CG-CD2 3.99Å; P62-F351 HydrophobicContact CG-CE2 3.66Å; P62-F351 HydrophobicContact CG-CZ 4.19Å
63	A	95.9	Very high	95.5	Very high	53 Å²	53	57.1 Å²	57.1	44%	0.438	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-42.3	179.4	0	0	0	0	0	112.1	D59 L60 I61 N66 L67	D59-A63 PolarHBondContact O-N 2.87Å; D59-A63 VanDerWaalsContact O-N 3.11Å; L60-A63 PolarHBondContact O-N 2.67Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 3.03Å; A63-N66 PolarHBondContact O-N 2.91Å; A63-L67 PolarHBondContact O-N 2.89Å
64	L	96.6	Very high	95.5	Very high	35 Å²	35	62.7 Å²	62.7	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-41.7	175.7	-173.9	69.2	0	0	0	111.9	L60 I61 P62 N66 L67 A68 L90 T91 I94	L60-L64 VanDerWaalsContact O-CB 3.29Å; L60-L64 WeakPolarHBondContact O-CB 3.48Å; L60-L64 PolarHBondContact O-N 2.97Å; I61-L64 PolarHBondContact O-N 2.75Å; P62-L64 VanDerWaalsContact C-N 3.33Å; P62-L64 PolarHBondContact O-N 3.36Å; L64-N66 VanDerWaalsContact C-N 3.35Å; L64-L67 WeakPolarHBondContact O-CB 3.2Å; L64-L67 PolarHBondContact O-N 3.22Å; L64-A68 PolarHBondContact O-N 2.79Å; L64-L90 HydrophobicContact CD1-CB 3.91Å; L64-L90 HydrophobicContact CD1-CD1 4.42Å; L64-T91 WeakPolarHBondContact CD2-OG1 3.49Å; L64-I94 HydrophobicContact CD1-CD1 3.6Å
65	W	97.2	Very high	95.5	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-44.2	175.5	178.4	-100.7	0	0	0	112	I61 P62 A68 G69 E80 Q83 A87 F351 E354 P356 V358 I359	I61-W65 PolarHBondContact O-N 3.31Å; P62-W65 PolarHBondContact O-N 3.22Å; W65-A68 WeakPolarHBondContact O-CB 3.39Å; W65-A68 PolarHBondContact O-N 2.91Å; W65-G69 PolarHBondContact O-N 3.43Å; W65-E80 HydrophobicContact CH2-CG 4.11Å; W65-E80 HydrophobicContact CZ2-CG 4.39Å; W65-Q83 HydrophobicContact CD2-CG 4.2Å; W65-Q83 VanDerWaalsContact CE2-CD 3.47Å; W65-Q83 HydrophobicContact CE3-CG 4.29Å; W65-Q83 HydrophobicContact CH2-CB 4.04Å; W65-Q83 HydrophobicContact CH2-CG 3.77Å; W65-Q83 HydrophobicContact CZ2-CB 4.2Å; W65-Q83 VanDerWaalsContact CZ2-CD 3.44Å; W65-Q83 HydrophobicContact CZ2-CG 3.68Å; W65-Q83 HydrophobicContact CZ3-CG 4.1Å; W65-Q83 PolarHBondContact O-NE2 2.95Å; W65-A87 HydrophobicContact CE3-CB 3.76Å; W65-A87 HydrophobicContact CZ3-CB 4.03Å; W65-F351 HydrophobicContact CB-CE1 3.92Å; W65-F351 HydrophobicContact CB-CZ 3.83Å; W65-F351 AromaticContact CD1-CE1 3.66Å; W65-F351 HydrophobicContact CD2-CE1 4.33Å; W65-F351 AromaticContact CG-CE1 3.69Å; W65-F351 HydrophobicContact CG-CE1 3.69Å; W65-F351 HydrophobicContact CG-CZ 4.08Å; W65-E354 PolarHBondContact NE1-OE1 3.16Å; W65-E354 PolarHBondContact NE1-OE2 3.37Å; W65-E354 VanDerWaalsContact NE1-OE2 3.1Å; W65-P356 HydrophobicContact CD2-CB 4.4Å; W65-P356 HydrophobicContact CD2-CG 4.04Å; W65-P356 VanDerWaalsContact CE2-CG 3.42Å; W65-P356 HydrophobicContact CE3-CB 4.33Å; W65-P356 HydrophobicContact CE3-CG 4.45Å; W65-P356 HydrophobicContact CH2-CB 3.35Å; W65-P356 HydrophobicContact CH2-CG 3.87Å; W65-P356 HydrophobicContact CZ2-CB 3.38Å; W65-P356 HydrophobicContact CZ2-CG 3.35Å; W65-P356 HydrophobicContact CZ3-CB 3.83Å; W65-P356 HydrophobicContact CZ3-CG 4.36Å; W65-V358 HydrophobicContact CE3-CG2 4.38Å; W65-V358 HydrophobicContact CH2-CG2 4.4Å; W65-V358 HydrophobicContact CZ3-CG2 3.6Å; W65-I359 HydrophobicContact CD2-CG1 4.33Å; W65-I359 HydrophobicContact CE3-CD1 4.08Å; W65-I359 HydrophobicContact CE3-CG1 3.95Å; W65-I359 HydrophobicContact CZ3-CG1 4.4Å
66	N	96	Very high	95.6	Very high	88 Å²	88	63.3 Å²	63.3	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-63.5	-41.6	175.4	-75.4	-32.8	0	0	0	112	P62 A63 L64 A68 G69 I70	P62-N66 WeakPolarHBondContact O-CB 3.27Å; P62-N66 PolarHBondContact O-N 3.46Å; P62-N66 PolarHBondContact O-ND2 3.37Å; A63-N66 PolarHBondContact O-N 2.91Å; L64-N66 VanDerWaalsContact C-N 3.35Å; N66-A68 VanDerWaalsContact C-N 3.34Å; N66-A68 PolarHBondContact O-N 3.46Å; N66-G69 PolarHBondContact O-N 2.96Å; N66-G69 VanDerWaalsContact O-N 3.16Å; N66-I70 WeakPolarHBondContact O-CG1 3.28Å; N66-I70 PolarHBondContact O-N 3.01Å
67	L	96.7	Very high	95.7	Very high	80 Å²	80	62.6 Å²	62.6	42%	0.419	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-44.7	174.1	177.8	63.6	0	0	0	111.7	A63 L64 G69 I70 I71 L90	A63-L67 PolarHBondContact O-N 2.89Å; L64-L67 WeakPolarHBondContact O-CB 3.2Å; L64-L67 PolarHBondContact O-N 3.22Å; L67-G69 VanDerWaalsContact C-N 3.29Å; L67-G69 PolarHBondContact O-N 3.11Å; L67-I70 PolarHBondContact O-N 2.83Å; L67-I71 HydrophobicContact CD1-CD1 4.31Å; L67-I71 HydrophobicContact CG-CD1 4.12Å; L67-I71 WeakPolarHBondContact O-CG1 3.35Å; L67-I71 PolarHBondContact O-N 2.99Å; L67-L90 HydrophobicContact CD2-CD1 4.3Å; L67-L90 HydrophobicContact CG-CD1 4.3Å
68	A	97.5	Very high	95.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.9	-39.9	175.2	0	0	0	0	0	111.9	L64 W65 N66 I71 C72 Q83 W86 A87 L90	L64-A68 PolarHBondContact O-N 2.79Å; W65-A68 WeakPolarHBondContact O-CB 3.39Å; W65-A68 PolarHBondContact O-N 2.91Å; N66-A68 VanDerWaalsContact C-N 3.34Å; N66-A68 PolarHBondContact O-N 3.46Å; A68-I71 PolarHBondContact O-N 2.8Å; A68-C72 PolarHBondContact O-N 3.24Å; A68-C72 PolarHBondContact O-SG 3.02Å; A68-Q83 HydrophobicContact CB-CG 4.11Å; A68-W86 HydrophobicContact CB-CB 3.86Å; A68-A87 HydrophobicContact CB-CB 3.88Å; A68-L90 HydrophobicContact CB-CD1 4.11Å
69	G	96.7	Very high	95.6	Very high	12 Å²	12	60.3 Å²	60.3	12%	0.124	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-45.4	174.6	0	0	0	0	0	112.9	W65 N66 L67 I71 C72 V73	W65-G69 PolarHBondContact O-N 3.43Å; N66-G69 PolarHBondContact O-N 2.96Å; N66-G69 VanDerWaalsContact O-N 3.16Å; L67-G69 VanDerWaalsContact C-N 3.29Å; L67-G69 PolarHBondContact O-N 3.11Å; G69-I71 VanDerWaalsContact C-N 3.3Å; G69-I71 PolarHBondContact O-N 3.29Å; G69-C72 WeakPolarHBondContact O-CB 3.03Å; G69-C72 PolarHBondContact O-N 2.91Å; G69-V73 WeakPolarHBondContact O-CG2 3.34Å; G69-V73 PolarHBondContact O-N 2.92Å
70	I	96.6	Very high	95.7	Very high	90 Å²	90	58.3 Å²	58.3	46%	0.462	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-41.8	176.2	-68.2	165	0	0	0	111	N66 L67 V73 K74	N66-I70 WeakPolarHBondContact O-CG1 3.28Å; N66-I70 PolarHBondContact O-N 3.01Å; L67-I70 PolarHBondContact O-N 2.83Å; I70-V73 PolarHBondContact O-N 3.47Å; I70-K74 HydrophobicContact CG2-CD 4.24Å; I70-K74 WeakPolarHBondContact O-CG 3.38Å; I70-K74 PolarHBondContact O-N 3.08Å
71	I	96.7	Very high	95.8	Very high	37 Å²	37	56 Å²	56	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-63.6	-45.7	176.9	-70	162.3	0	0	0	110.5	L67 A68 G69 V73 K74 I75 W86 L90	L67-I71 HydrophobicContact CD1-CD1 4.31Å; L67-I71 HydrophobicContact CG-CD1 4.12Å; L67-I71 WeakPolarHBondContact O-CG1 3.35Å; L67-I71 PolarHBondContact O-N 2.99Å; A68-I71 PolarHBondContact O-N 2.8Å; G69-I71 VanDerWaalsContact C-N 3.3Å; G69-I71 PolarHBondContact O-N 3.29Å; I71-V73 PolarHBondContact O-N 3.34Å; I71-K74 PolarHBondContact O-N 2.95Å; I71-I75 HydrophobicContact CG2-CD1 3.69Å; I71-I75 WeakPolarHBondContact O-CG1 3.41Å; I71-I75 PolarHBondContact O-N 2.95Å; I71-W86 HydrophobicContact CG2-CD2 3.75Å; I71-W86 HydrophobicContact CG2-CE3 3.87Å; I71-W86 HydrophobicContact CG2-CG 4.36Å; I71-W86 HydrophobicContact CG2-CH2 4.05Å; I71-W86 HydrophobicContact CG2-CZ2 3.93Å; I71-W86 HydrophobicContact CG2-CZ3 4.02Å; I71-L90 HydrophobicContact CD1-CD1 3.8Å; I71-L90 HydrophobicContact CD1-CD2 4.33Å
72	C	97	Very high	95.8	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.034	33%	0.33	C	S	.	.	H	α-helix	trans	-56.7	-49.4	177.1	-71.7	0	0	0	0	111.9	A68 G69 K74 I75 G76 I77 Q83	A68-C72 PolarHBondContact O-N 3.24Å; A68-C72 PolarHBondContact O-SG 3.02Å; G69-C72 WeakPolarHBondContact O-CB 3.03Å; G69-C72 PolarHBondContact O-N 2.91Å; C72-K74 VanDerWaalsContact C-N 3.35Å; C72-K74 PolarHBondContact O-N 3.25Å; C72-I75 PolarHBondContact O-N 3.38Å; C72-G76 PolarHBondContact O-N 3.36Å; C72-I77 CarbonylContact C-O 3.48Å; C72-I77 VanDerWaalsContact C-O 3.29Å; C72-I77 HydrophobicContact CB-CG1 3.95Å; C72-I77 WeakPolarHBondContact CB-O 3.34Å; C72-I77 PolarHBondContact O-N 3.46Å; C72-I77 VanDerWaalsContact O-O 3.09Å; C72-Q83 VanDerWaalsContact SG-CA 3.6Å
73	V	95.9	Very high	95.9	Very high	92 Å²	92	61 Å²	61	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-60.6	-42.2	178.5	173.9	0	0	0	0	111.5	G69 I70 I71 I75 G76 F78	G69-V73 WeakPolarHBondContact O-CG2 3.34Å; G69-V73 PolarHBondContact O-N 2.92Å; I70-V73 PolarHBondContact O-N 3.47Å; I71-V73 PolarHBondContact O-N 3.34Å; V73-I75 VanDerWaalsContact C-N 3.32Å; V73-I75 PolarHBondContact O-N 2.89Å; V73-G76 PolarHBondContact O-N 3.25Å; V73-F78 HydrophobicContact CG2-CE1 4.31Å
74	K	95.6	Very high	96	Very high	175 Å²	175	58.5 Å²	58.5	76%	0.761	31%	0.313	S	S	*	.	H	α-helix	trans	-65	-33.2	177.5	-77.9	179.4	178.7	180	0	113.5	I70 I71 C72 G76	I70-K74 HydrophobicContact CG2-CD 4.24Å; I70-K74 WeakPolarHBondContact O-CG 3.38Å; I70-K74 PolarHBondContact O-N 3.08Å; I71-K74 PolarHBondContact O-N 2.95Å; C72-K74 VanDerWaalsContact C-N 3.35Å; C72-K74 PolarHBondContact O-N 3.25Å; K74-G76 VanDerWaalsContact C-N 3.32Å
75	I	94.9	Very high	96.1	Very high	99 Å²	99	58 Å²	58	51%	0.508	31%	0.311	S	S	.	.	H	α-helix	trans	-82.8	-14.3	177.5	-63.1	170.5	0	0	0	111.3	I71 C72 V73 I77 W86	I71-I75 HydrophobicContact CG2-CD1 3.69Å; I71-I75 WeakPolarHBondContact O-CG1 3.41Å; I71-I75 PolarHBondContact O-N 2.95Å; C72-I75 PolarHBondContact O-N 3.38Å; V73-I75 VanDerWaalsContact C-N 3.32Å; V73-I75 PolarHBondContact O-N 2.89Å; I75-I77 HydrophobicContact CB-CG1 4.45Å; I75-I77 HydrophobicContact CG2-CD1 4.45Å; I75-I77 HydrophobicContact CG2-CG1 4.46Å; I75-I77 HydrophobicContact CG2-CG2 4.35Å; I75-W86 HydrophobicContact CD1-CH2 4.16Å; I75-W86 HydrophobicContact CD1-CZ2 3.44Å; I75-W86 VanDerWaalsContact CD1-CZ2 3.44Å
76	G	95	Very high	96.1	Very high	45 Å²	45	62.3 Å²	62.3	46%	0.464	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	21.3	-179.2	0	0	0	0	0	113.8	C72 V73 K74	C72-G76 PolarHBondContact O-N 3.36Å; V73-G76 PolarHBondContact O-N 3.25Å; K74-G76 VanDerWaalsContact C-N 3.32Å
77	I	94.4	Very high	96.2	Very high	49 Å²	49	58.4 Å²	58.4	25%	0.251	31%	0.307	S	S	.	.			trans	-105.2	137.4	173.6	61.1	-178.3	0	0	0	109.7	C72 I75 Y82	C72-I77 CarbonylContact C-O 3.48Å; C72-I77 VanDerWaalsContact C-O 3.29Å; C72-I77 HydrophobicContact CB-CG1 3.95Å; C72-I77 WeakPolarHBondContact CB-O 3.34Å; C72-I77 PolarHBondContact O-N 3.46Å; C72-I77 VanDerWaalsContact O-O 3.09Å; I75-I77 HydrophobicContact CB-CG1 4.45Å; I75-I77 HydrophobicContact CG2-CD1 4.45Å; I75-I77 HydrophobicContact CG2-CG1 4.46Å; I75-I77 HydrophobicContact CG2-CG2 4.35Å; I77-Y82 HydrophobicContact CB-CD2 4.43Å; I77-Y82 HydrophobicContact CB-CG 4.26Å; I77-Y82 HydrophobicContact CD1-CD1 4.19Å; I77-Y82 HydrophobicContact CD1-CG 4.18Å; I77-Y82 HydrophobicContact CG1-CG 4.42Å
78	F	92.7	Very high	96.2	Very high	144 Å²	144	56.4 Å²	56.4	63%	0.632	30%	0.298	S	S	*	.			trans	-129.9	143	-174.6	-56	-81.1	0	0	0	110.8	V73 Y82	V73-F78 HydrophobicContact CG2-CE1 4.31Å; F78-Y82 WeakPolarHBondContact O-CD2 3.33Å; F78-Y82 WeakPolarHBondContact O-CE2 3.48Å
79	G	93.4	Very high	96.2	Very high	47 Å²	47	57 Å²	57	49%	0.485	30%	0.304	S	S	.	.	S	Bend	trans	119.8	148.2	176	0	0	0	0	0	113.1	V81 Y82 Q83	G79-V81 PolarHBondContact O-N 3.32Å; G79-V81 VanDerWaalsContact O-N 3.16Å; G79-Y82 PolarHBondContact O-N 2.84Å; G79-Y82 VanDerWaalsContact O-N 3.1Å; G79-Q83 PolarHBondContact O-N 3.43Å
80	E	95.1	Very high	96.2	Very high	40 Å²	40	57.7 Å²	57.7	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-32.5	-175.1	-170.4	-169.7	147.2	0	0	113.8	W65 Y82 Q83 S84 K151 P356 V357	W65-E80 HydrophobicContact CH2-CG 4.11Å; W65-E80 HydrophobicContact CZ2-CG 4.39Å; E80-Y82 VanDerWaalsContact C-N 3.35Å; E80-Y82 PolarHBondContact O-N 3.48Å; E80-Q83 PolarHBondContact O-N 3.05Å; E80-S84 WeakPolarHBondContact O-CB 3.21Å; E80-S84 PolarHBondContact O-N 3.49Å; E80-S84 PolarHBondContact O-OG 3.12Å; E80-K151 HydrophobicContact CB-CD 4.29Å; E80-K151 VanDerWaalsContact OE2-CD 3.31Å; E80-K151 WeakPolarHBondContact OE2-CD 3.25Å; E80-K151 VanDerWaalsContact OE2-CE 3.29Å; E80-K151 WeakPolarHBondContact OE2-CE 3.48Å; E80-K151 IonicContact OE2-NZ 2.7Å; E80-K151 PolarHBondContact OE2-NZ 2.96Å; E80-P356 HydrophobicContact CG-CB 4.48Å; E80-V357 WeakPolarHBondContact OE1-CG2 3.39Å; E80-V357 PolarHBondContact OE1-N 3.36Å
81	V	96.7	Very high	96.2	Very high	31 Å²	31	56.3 Å²	56.3	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-47.7	178	177.1	0	0	0	0	110.4	G79 S84 V85 A144 V147 W148	G79-V81 PolarHBondContact O-N 3.32Å; G79-V81 VanDerWaalsContact O-N 3.16Å; V81-S84 PolarHBondContact O-N 3.32Å; V81-V85 WeakPolarHBondContact O-CG2 3.44Å; V81-V85 PolarHBondContact O-N 3.35Å; V81-A144 HydrophobicContact CG1-CB 3.9Å; V81-V147 HydrophobicContact CG2-CB 4.37Å; V81-V147 HydrophobicContact CG2-CG1 3.88Å; V81-W148 HydrophobicContact CG2-CB 4.45Å
82	Y	96.6	Very high	96.3	Very high	123 Å²	123	56.8 Å²	56.8	48%	0.482	30%	0.303	S	S	.	.	H	α-helix	trans	-68.6	-43.5	179.8	-58.3	-71.3	0	0	0	111.6	I77 F78 G79 E80 S84 V85 W86	I77-Y82 HydrophobicContact CB-CD2 4.43Å; I77-Y82 HydrophobicContact CB-CG 4.26Å; I77-Y82 HydrophobicContact CD1-CD1 4.19Å; I77-Y82 HydrophobicContact CD1-CG 4.18Å; I77-Y82 HydrophobicContact CG1-CG 4.42Å; F78-Y82 WeakPolarHBondContact O-CD2 3.33Å; F78-Y82 WeakPolarHBondContact O-CE2 3.48Å; G79-Y82 PolarHBondContact O-N 2.84Å; G79-Y82 VanDerWaalsContact O-N 3.1Å; E80-Y82 VanDerWaalsContact C-N 3.35Å; E80-Y82 PolarHBondContact O-N 3.48Å; Y82-S84 VanDerWaalsContact C-N 3.28Å; Y82-S84 PolarHBondContact O-N 2.92Å; Y82-V85 PolarHBondContact O-N 2.88Å; Y82-W86 VanDerWaalsContact O-CD1 3.31Å; Y82-W86 PolarHBondContact O-N 2.84Å
83	Q	97.5	Very high	96.3	Very high	34 Å²	34	59.4 Å²	59.4	16%	0.159	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-37.5	177.1	-172.7	169.1	-4.7	0	0	111.8	W65 A68 C72 G79 E80 W86 A87	W65-Q83 HydrophobicContact CD2-CG 4.2Å; W65-Q83 VanDerWaalsContact CE2-CD 3.47Å; W65-Q83 HydrophobicContact CE3-CG 4.29Å; W65-Q83 HydrophobicContact CH2-CB 4.04Å; W65-Q83 HydrophobicContact CH2-CG 3.77Å; W65-Q83 HydrophobicContact CZ2-CB 4.2Å; W65-Q83 VanDerWaalsContact CZ2-CD 3.44Å; W65-Q83 HydrophobicContact CZ2-CG 3.68Å; W65-Q83 HydrophobicContact CZ3-CG 4.1Å; W65-Q83 PolarHBondContact O-NE2 2.95Å; A68-Q83 HydrophobicContact CB-CG 4.11Å; C72-Q83 VanDerWaalsContact SG-CA 3.6Å; G79-Q83 PolarHBondContact O-N 3.43Å; E80-Q83 PolarHBondContact O-N 3.05Å; Q83-W86 PolarHBondContact O-N 3.31Å; Q83-A87 VanDerWaalsContact O-CB 3.27Å; Q83-A87 WeakPolarHBondContact O-CB 3.32Å; Q83-A87 PolarHBondContact O-N 3.21Å
84	S	97.9	Very high	96.3	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-44.7	174.7	-63.7	0	0	0	0	112.6	E80 V81 Y82 W86 A87 V88 V358	E80-S84 WeakPolarHBondContact O-CB 3.21Å; E80-S84 PolarHBondContact O-N 3.49Å; E80-S84 PolarHBondContact O-OG 3.12Å; V81-S84 PolarHBondContact O-N 3.32Å; Y82-S84 VanDerWaalsContact C-N 3.28Å; Y82-S84 PolarHBondContact O-N 2.92Å; S84-W86 VanDerWaalsContact C-N 3.34Å; S84-W86 PolarHBondContact O-N 2.99Å; S84-A87 PolarHBondContact O-N 2.82Å; S84-V88 WeakPolarHBondContact O-CG2 3.36Å; S84-V88 PolarHBondContact O-N 3.08Å; S84-V358 WeakPolarHBondContact OG-CG2 3.44Å
85	V	97.7	Very high	96.3	Very high	26 Å²	26	53.1 Å²	53.1	16%	0.158	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-45.7	175.5	166.4	0	0	0	0	110.7	V81 Y82 G89 T140 V143 A144	V81-V85 WeakPolarHBondContact O-CG2 3.44Å; V81-V85 PolarHBondContact O-N 3.35Å; Y82-V85 PolarHBondContact O-N 2.88Å; V85-G89 PolarHBondContact O-N 3.08Å; V85-T140 HydrophobicContact CG1-CG2 3.71Å; V85-V143 HydrophobicContact CG2-CB 4.46Å; V85-V143 HydrophobicContact CG2-CG1 4.22Å; V85-A144 HydrophobicContact CG2-CB 3.9Å
86	W	97.2	Very high	96.3	Very high	92 Å²	92	50 Å²	50	35%	0.348	28%	0.279	S	S	.	.	H	α-helix	trans	-65.3	-43.7	176.6	-84.2	104.6	0	0	0	112.4	A68 I71 I75 Y82 Q83 S84 G89 L90	A68-W86 HydrophobicContact CB-CB 3.86Å; I71-W86 HydrophobicContact CG2-CD2 3.75Å; I71-W86 HydrophobicContact CG2-CE3 3.87Å; I71-W86 HydrophobicContact CG2-CG 4.36Å; I71-W86 HydrophobicContact CG2-CH2 4.05Å; I71-W86 HydrophobicContact CG2-CZ2 3.93Å; I71-W86 HydrophobicContact CG2-CZ3 4.02Å; I75-W86 HydrophobicContact CD1-CH2 4.16Å; I75-W86 HydrophobicContact CD1-CZ2 3.44Å; I75-W86 VanDerWaalsContact CD1-CZ2 3.44Å; Y82-W86 VanDerWaalsContact O-CD1 3.31Å; Y82-W86 PolarHBondContact O-N 2.84Å; Q83-W86 PolarHBondContact O-N 3.31Å; S84-W86 VanDerWaalsContact C-N 3.34Å; S84-W86 PolarHBondContact O-N 2.99Å; W86-G89 PolarHBondContact O-N 2.71Å; W86-L90 WeakPolarHBondContact O-CB 3.37Å; W86-L90 WeakPolarHBondContact O-CG 3.48Å; W86-L90 PolarHBondContact O-N 3.42Å
87	A	97.8	Very high	96.4	Very high	6 Å²	6	53.1 Å²	53.1	5%	0.05	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-50.8	178.4	0	0	0	0	0	110.9	W65 A68 Q83 S84 G89 L90 T91	W65-A87 HydrophobicContact CE3-CB 3.76Å; W65-A87 HydrophobicContact CZ3-CB 4.03Å; A68-A87 HydrophobicContact CB-CB 3.88Å; Q83-A87 VanDerWaalsContact O-CB 3.27Å; Q83-A87 WeakPolarHBondContact O-CB 3.32Å; Q83-A87 PolarHBondContact O-N 3.21Å; S84-A87 PolarHBondContact O-N 2.82Å; A87-G89 PolarHBondContact O-N 3.24Å; A87-L90 PolarHBondContact O-N 3.25Å; A87-T91 PolarHBondContact O-N 2.96Å; A87-T91 PolarHBondContact O-OG1 3.03Å
88	V	97.7	Very high	96.4	Very high	37 Å²	37	54.4 Å²	54.4	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-43.2	177.3	174.6	0	0	0	0	111.4	S84 T91 M92 T139 V143 V358	S84-V88 WeakPolarHBondContact O-CG2 3.36Å; S84-V88 PolarHBondContact O-N 3.08Å; V88-T91 WeakPolarHBondContact O-CB 3.34Å; V88-T91 PolarHBondContact O-N 3.24Å; V88-M92 HydrophobicContact CG1-SD 4.18Å; V88-M92 WeakPolarHBondContact O-CG 3.44Å; V88-M92 PolarHBondContact O-N 3.28Å; V88-T139 HydrophobicContact CG1-CG2 3.86Å; V88-V143 HydrophobicContact CB-CG2 4.47Å; V88-V143 HydrophobicContact CG1-CG2 4.15Å; V88-V143 HydrophobicContact CG2-CG1 4.19Å; V88-V143 HydrophobicContact CG2-CG2 4.34Å; V88-V358 HydrophobicContact CG2-CB 4.39Å; V88-V358 HydrophobicContact CG2-CG1 4.26Å
89	G	97.7	Very high	96.5	Very high	12 Å²	12	51.3 Å²	51.3	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-43.4	177.7	0	0	0	0	0	113	V85 W86 A87 M92 I93	V85-G89 PolarHBondContact O-N 3.08Å; W86-G89 PolarHBondContact O-N 2.71Å; A87-G89 PolarHBondContact O-N 3.24Å; G89-M92 PolarHBondContact O-N 2.95Å; G89-I93 VanDerWaalsContact O-CG1 3.31Å; G89-I93 WeakPolarHBondContact O-CG1 3.48Å; G89-I93 PolarHBondContact O-N 3.3Å
90	L	97.4	Very high	96.6	Very high	27 Å²	27	52.2 Å²	52.2	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-42.3	175.4	-70.3	168.1	0	0	0	111.5	L64 L67 A68 I71 W86 A87 M92 I93 I94	L64-L90 HydrophobicContact CD1-CB 3.91Å; L64-L90 HydrophobicContact CD1-CD1 4.42Å; L67-L90 HydrophobicContact CD2-CD1 4.3Å; L67-L90 HydrophobicContact CG-CD1 4.3Å; A68-L90 HydrophobicContact CB-CD1 4.11Å; I71-L90 HydrophobicContact CD1-CD1 3.8Å; I71-L90 HydrophobicContact CD1-CD2 4.33Å; W86-L90 WeakPolarHBondContact O-CB 3.37Å; W86-L90 WeakPolarHBondContact O-CG 3.48Å; W86-L90 PolarHBondContact O-N 3.42Å; A87-L90 PolarHBondContact O-N 3.25Å; L90-M92 VanDerWaalsContact C-N 3.32Å; L90-M92 PolarHBondContact O-N 3.47Å; L90-I93 PolarHBondContact O-N 2.9Å; L90-I94 WeakPolarHBondContact O-CB 3.49Å; L90-I94 VanDerWaalsContact O-CG1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.49Å
91	T	96.4	Very high	96.6	Very high	62 Å²	62	53.5 Å²	53.5	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-55.6	-48.6	172.7	-55.9	0	0	0	0	110.5	L64 A87 V88 I93 I94 S95	L64-T91 WeakPolarHBondContact CD2-OG1 3.49Å; A87-T91 PolarHBondContact O-N 2.96Å; A87-T91 PolarHBondContact O-OG1 3.03Å; V88-T91 WeakPolarHBondContact O-CB 3.34Å; V88-T91 PolarHBondContact O-N 3.24Å; T91-I93 VanDerWaalsContact C-N 3.34Å; T91-I93 PolarHBondContact O-N 3.41Å; T91-I94 PolarHBondContact O-N 3.1Å; T91-S95 WeakPolarHBondContact O-CB 3.26Å; T91-S95 PolarHBondContact O-N 3.49Å; T91-S95 PolarHBondContact O-OG 3.33Å
92	M	97.3	Very high	96.6	Very high	46 Å²	46	54.5 Å²	54.5	23%	0.227	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-40.8	179	-70.5	174.4	68	0	0	112.7	V88 G89 L90 S96 L132 L136 T139	V88-M92 HydrophobicContact CG1-SD 4.18Å; V88-M92 WeakPolarHBondContact O-CG 3.44Å; V88-M92 PolarHBondContact O-N 3.28Å; G89-M92 PolarHBondContact O-N 2.95Å; L90-M92 VanDerWaalsContact C-N 3.32Å; L90-M92 PolarHBondContact O-N 3.47Å; M92-S96 VanDerWaalsContact O-CB 3.24Å; M92-S96 WeakPolarHBondContact O-CB 3.31Å; M92-S96 PolarHBondContact O-N 3.45Å; M92-L132 HydrophobicContact CB-CD1 4.45Å; M92-L136 HydrophobicContact CB-CD2 4.26Å; M92-L136 HydrophobicContact CE-CD2 4.33Å; M92-L136 HydrophobicContact SD-CD2 4.11Å; M92-T139 HydrophobicContact SD-CG2 3.91Å
93	I	97.5	Very high	96.6	Very high	61 Å²	61	50.2 Å²	50.2	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-49.8	177.2	-68.1	164.1	0	0	0	110.3	G89 L90 T91 S96 L97 L132 L136	G89-I93 VanDerWaalsContact O-CG1 3.31Å; G89-I93 WeakPolarHBondContact O-CG1 3.48Å; G89-I93 PolarHBondContact O-N 3.3Å; L90-I93 PolarHBondContact O-N 2.9Å; T91-I93 VanDerWaalsContact C-N 3.34Å; T91-I93 PolarHBondContact O-N 3.41Å; I93-S96 PolarHBondContact O-N 2.94Å; I93-L97 HydrophobicContact CG2-CD1 4.08Å; I93-L97 VanDerWaalsContact O-CG 3.32Å; I93-L97 WeakPolarHBondContact O-CG 3.41Å; I93-L97 PolarHBondContact O-N 3.02Å; I93-L132 HydrophobicContact CG1-CD2 4.38Å; I93-L136 HydrophobicContact CD1-CD1 4.47Å; I93-L136 HydrophobicContact CG1-CD1 4.3Å
94	I	96.3	Very high	96.6	Very high	74 Å²	74	53.6 Å²	53.6	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-49.7	-179.9	-69.7	167.2	0	0	0	110.3	L64 L90 T91 S96 L97 L98	L64-I94 HydrophobicContact CD1-CD1 3.6Å; L90-I94 WeakPolarHBondContact O-CB 3.49Å; L90-I94 VanDerWaalsContact O-CG1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.49Å; T91-I94 PolarHBondContact O-N 3.1Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.33Å; I94-L97 PolarHBondContact O-N 3.38Å; I94-L97 VanDerWaalsContact O-N 3.09Å; I94-L98 HydrophobicContact CG2-CD1 3.87Å; I94-L98 HydrophobicContact CG2-CG 4.36Å; I94-L98 WeakPolarHBondContact O-CG 3.21Å; I94-L98 PolarHBondContact O-N 3.49Å
95	S	95	Very high	96.5	Very high	61 Å²	61	55.8 Å²	55.8	43%	0.427	30%	0.298	S	S	.	.	H	α-helix	trans	-59.8	-41.2	177.6	-62.4	0	0	0	0	112	T91 L97 L98 D99	T91-S95 WeakPolarHBondContact O-CB 3.26Å; T91-S95 PolarHBondContact O-N 3.49Å; T91-S95 PolarHBondContact O-OG 3.33Å; S95-L97 VanDerWaalsContact C-N 3.29Å; S95-L97 PolarHBondContact O-N 3.43Å; S95-L98 PolarHBondContact O-N 3.02Å; S95-D99 WeakPolarHBondContact O-CB 3.39Å; S95-D99 PolarHBondContact O-N 2.9Å
96	S	95.9	Very high	96.5	Very high	34 Å²	34	59.9 Å²	59.9	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-32.6	176.1	-176.4	0	0	0	0	112.8	M92 I93 I94 L100	M92-S96 VanDerWaalsContact O-CB 3.24Å; M92-S96 WeakPolarHBondContact O-CB 3.31Å; M92-S96 PolarHBondContact O-N 3.45Å; I93-S96 PolarHBondContact O-N 2.94Å; I94-S96 VanDerWaalsContact C-N 3.32Å; I94-S96 PolarHBondContact O-N 3.33Å; S96-L100 WeakPolarHBondContact O-CB 3.35Å; S96-L100 PolarHBondContact O-N 3.28Å
97	L	96	Very high	96.4	Very high	110 Å²	110	56.5 Å²	56.5	58%	0.576	30%	0.3	S	S	*	.	H	α-helix	trans	-74.7	-37.8	176.3	-70.9	172	0	0	0	111.8	I93 I94 S95 L100 P101	I93-L97 HydrophobicContact CG2-CD1 4.08Å; I93-L97 VanDerWaalsContact O-CG 3.32Å; I93-L97 WeakPolarHBondContact O-CG 3.41Å; I93-L97 PolarHBondContact O-N 3.02Å; I94-L97 PolarHBondContact O-N 3.38Å; I94-L97 VanDerWaalsContact O-N 3.09Å; S95-L97 VanDerWaalsContact C-N 3.29Å; S95-L97 PolarHBondContact O-N 3.43Å; L97-L100 PolarHBondContact O-N 3.47Å; L97-P101 WeakPolarHBondContact O-CD 3.49Å
98	L	94.8	Very high	96.4	Very high	75 Å²	75	57.7 Å²	57.7	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-69.6	-33.9	176.4	-66.7	174.6	0	0	0	112.3	Q51 I94 S95 P101	Q51-L98 HydrophobicContact CG-CD1 4.48Å; Q51-L98 VanDerWaalsContact OE1-CD1 3.24Å; I94-L98 HydrophobicContact CG2-CD1 3.87Å; I94-L98 HydrophobicContact CG2-CG 4.36Å; I94-L98 WeakPolarHBondContact O-CG 3.21Å; I94-L98 PolarHBondContact O-N 3.49Å; S95-L98 PolarHBondContact O-N 3.02Å; L98-P101 WeakPolarHBondContact O-CD 3.48Å
99	D	94	Very high	96.3	Very high	79 Å²	79	59.4 Å²	59.4	42%	0.422	31%	0.311	S	S	.	.	H	α-helix	trans	-77.5	-23.4	176.7	-171.4	58.4	0	0	0	113.4	S95 W102 S103	S95-D99 WeakPolarHBondContact O-CB 3.39Å; S95-D99 PolarHBondContact O-N 2.9Å; D99-W102 WeakPolarHBondContact O-CB 3.34Å; D99-W102 PolarHBondContact O-N 3.46Å; D99-S103 PolarHBondContact O-N 2.82Å
100	L	96	Very high	96.2	Very high	67 Å²	67	59.4 Å²	59.4	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-54.4	-44.7	-173.4	-175.6	65.6	0	0	0	114.2	S96 L97 W102 Y104 F124 T128	S96-L100 WeakPolarHBondContact O-CB 3.35Å; S96-L100 PolarHBondContact O-N 3.28Å; L97-L100 PolarHBondContact O-N 3.47Å; L100-W102 VanDerWaalsContact C-N 3.34Å; L100-W102 PolarHBondContact O-N 2.85Å; L100-Y104 WeakPolarHBondContact O-CB 3.24Å; L100-Y104 PolarHBondContact O-N 3.3Å; L100-F124 HydrophobicContact CD1-CE1 3.83Å; L100-F124 HydrophobicContact CD1-CZ 4.18Å; L100-T128 HydrophobicContact CD1-CG2 4.17Å
101	P	96.2	Very high	96.2	Very high	66 Å²	66	59 Å²	59	43%	0.429	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-40	176.1	-22.6	34.9	0	0	0	112.8	L97 L98 Y104 I105	L97-P101 WeakPolarHBondContact O-CD 3.49Å; L98-P101 WeakPolarHBondContact O-CD 3.48Å; P101-Y104 PolarHBondContact O-N 2.65Å; P101-I105 VanDerWaalsContact O-CG1 3.25Å; P101-I105 WeakPolarHBondContact O-CG1 3.28Å; P101-I105 PolarHBondContact O-N 3.35Å
102	W	96.2	Very high	96.1	Very high	52 Å²	52	61 Å²	61	20%	0.197	31%	0.311	C	S	.	.	H	α-helix	trans	-68.5	-44.2	-179.6	-56.1	115.6	0	0	0	111.7	L40 C43 H44 V47 D99 L100 Y104 I105 R106	L40-W102 HydrophobicContact CD1-CE3 3.91Å; L40-W102 HydrophobicContact CD1-CZ3 4.25Å; C43-W102 HydrophobicContact CB-CZ3 4.42Å; H44-W102 HydrophobicContact CB-CD2 4.4Å; H44-W102 HydrophobicContact CB-CE3 4.26Å; H44-W102 HydrophobicContact CB-CZ3 4.47Å; H44-W102 AromaticContact CD2-CD1 3.56Å; H44-W102 AromaticContact CD2-CD2 3.71Å; H44-W102 AromaticContact CD2-CE2 3.94Å; H44-W102 AromaticContact CD2-CG 3.49Å; H44-W102 VanDerWaalsContact CD2-CG 3.49Å; H44-W102 AromaticContact CD2-NE1 3.83Å; V47-W102 HydrophobicContact CB-CH2 4.22Å; V47-W102 HydrophobicContact CB-CZ2 3.71Å; V47-W102 HydrophobicContact CG1-CZ2 3.82Å; V47-W102 HydrophobicContact CG2-CH2 3.88Å; V47-W102 HydrophobicContact CG2-CZ2 3.81Å; D99-W102 WeakPolarHBondContact O-CB 3.34Å; D99-W102 PolarHBondContact O-N 3.46Å; L100-W102 VanDerWaalsContact C-N 3.34Å; L100-W102 PolarHBondContact O-N 2.85Å; W102-Y104 VanDerWaalsContact C-N 3.32Å; W102-Y104 PolarHBondContact O-N 2.92Å; W102-I105 HydrophobicContact CE3-CD1 4.44Å; W102-I105 PolarHBondContact O-N 3.18Å; W102-R106 WeakPolarHBondContact O-CB 3.47Å; W102-R106 PolarHBondContact O-N 2.95Å
103	S	95.8	Very high	96	Very high	34 Å²	34	63.8 Å²	63.8	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-59.7	-42.4	173.2	-173	0	0	0	0	111.5	D99 R106 V107 F124	D99-S103 PolarHBondContact O-N 2.82Å; S103-R106 PolarHBondContact O-N 2.68Å; S103-V107 WeakPolarHBondContact O-CG2 3.42Å; S103-V107 PolarHBondContact O-N 2.75Å; S103-F124 WeakPolarHBondContact OG-CE2 3.07Å; S103-F124 WeakPolarHBondContact OG-CZ 3.4Å
104	Y	96.9	Very high	95.8	Very high	104 Å²	104	62.4 Å²	62.4	41%	0.408	31%	0.314	S	S	.	.	H	α-helix	trans	-63.3	-47	175.4	-175.3	-87	0	0	0	112.4	L100 P101 W102 R106 V107 F108 F124	L100-Y104 WeakPolarHBondContact O-CB 3.24Å; L100-Y104 PolarHBondContact O-N 3.3Å; P101-Y104 PolarHBondContact O-N 2.65Å; W102-Y104 VanDerWaalsContact C-N 3.32Å; W102-Y104 PolarHBondContact O-N 2.92Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.75Å; Y104-V107 PolarHBondContact O-N 3.31Å; Y104-F108 HydrophobicContact CD1-CB 4.5Å; Y104-F108 AromaticContact CD2-CD2 3.4Å; Y104-F108 HydrophobicContact CD2-CD2 3.4Å; Y104-F108 VanDerWaalsContact CD2-CD2 3.4Å; Y104-F108 AromaticContact CD2-CE2 3.91Å; Y104-F108 HydrophobicContact CD2-CE2 3.91Å; Y104-F108 HydrophobicContact CD2-CG 4.31Å; Y104-F108 HydrophobicContact CE1-CB 4.13Å; Y104-F108 HydrophobicContact CE2-CB 4.28Å; Y104-F108 AromaticContact CE2-CD2 3.42Å; Y104-F108 HydrophobicContact CE2-CD2 3.42Å; Y104-F108 VanDerWaalsContact CE2-CD2 3.42Å; Y104-F108 AromaticContact CE2-CE2 3.97Å; Y104-F108 HydrophobicContact CE2-CE2 3.97Å; Y104-F108 AromaticContact CE2-CG 3.97Å; Y104-F108 HydrophobicContact CE2-CG 3.97Å; Y104-F108 HydrophobicContact CG-CD2 4Å; Y104-F108 PolarHBondContact O-N 3.25Å; Y104-F124 HydrophobicContact CD2-CE1 4.43Å
105	I	97.3	Very high	95.6	Very high	47 Å²	47	60.8 Å²	60.8	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-45.8	177.1	-69.7	164.4	0	0	0	110.3	L40 P101 W102 V107 I109 I110	L40-I105 HydrophobicContact CD1-CB 4.41Å; L40-I105 HydrophobicContact CD1-CG2 3.72Å; L40-I105 HydrophobicContact CD2-CG2 4.35Å; P101-I105 VanDerWaalsContact O-CG1 3.25Å; P101-I105 WeakPolarHBondContact O-CG1 3.28Å; P101-I105 PolarHBondContact O-N 3.35Å; W102-I105 HydrophobicContact CE3-CD1 4.44Å; W102-I105 PolarHBondContact O-N 3.18Å; I105-V107 PolarHBondContact O-N 3.4Å; I105-I109 HydrophobicContact CB-CD1 4.35Å; I105-I109 HydrophobicContact CG1-CD1 4.04Å; I105-I109 HydrophobicContact CG2-CB 4.45Å; I105-I109 HydrophobicContact CG2-CD1 4.24Å; I105-I109 WeakPolarHBondContact O-CA 3.42Å; I105-I109 WeakPolarHBondContact O-CB 3.44Å; I105-I109 PolarHBondContact O-N 3.44Å; I105-I109 VanDerWaalsContact O-N 3.1Å; I105-I110 PolarHBondContact O-N 3.49Å
106	R	96.5	Very high	95.5	Very high	112 Å²	112	58.2 Å²	58.2	42%	0.423	30%	0.297	S	S	.	.	I	π-helix	trans	-55.9	-55.3	176.5	179.3	177.8	-95.7	-89.8	7.7	110.5	L40 W102 S103 Y104 I110 E111	L40-R106 HydrophobicContact CD2-CB 3.83Å; L40-R106 HydrophobicContact CD2-CG 4.49Å; W102-R106 WeakPolarHBondContact O-CB 3.47Å; W102-R106 PolarHBondContact O-N 2.95Å; S103-R106 PolarHBondContact O-N 2.68Å; Y104-R106 VanDerWaalsContact C-N 3.34Å; Y104-R106 PolarHBondContact O-N 2.75Å; R106-I110 WeakPolarHBondContact O-CB 3.04Å; R106-I110 PolarHBondContact O-N 2.71Å; R106-E111 HydrophobicContact CG-CG 4.43Å; R106-E111 IonicContact NH1-OE1 3.93Å; R106-E111 WeakPolarHBondContact O-CG 3.28Å; R106-E111 PolarHBondContact O-N 3.31Å
107	V	96.4	Very high	95.4	Very high	20 Å²	20	57 Å²	57	12%	0.121	29%	0.288	C	S	.	.	I	π-helix	trans	-73.5	-51.4	-172.3	175.3	0	0	0	0	113.2	S103 Y104 I105 E111 E112 N117 F124	S103-V107 WeakPolarHBondContact O-CG2 3.42Å; S103-V107 PolarHBondContact O-N 2.75Å; Y104-V107 PolarHBondContact O-N 3.31Å; I105-V107 PolarHBondContact O-N 3.4Å; V107-E111 WeakPolarHBondContact O-CB 3.12Å; V107-E112 PolarHBondContact O-N 3.42Å; V107-N117 WeakPolarHBondContact CG1-OD1 3.18Å; V107-N117 WeakPolarHBondContact O-CB 3.19Å; V107-F124 HydrophobicContact CB-CE2 4.49Å; V107-F124 HydrophobicContact CG2-CD2 4.46Å; V107-F124 HydrophobicContact CG2-CE2 4.12Å
108	F	97.1	Very high	95.3	Very high	31 Å²	31	56.8 Å²	56.8	14%	0.136	28%	0.282	C	S	.	.	I	π-helix	trans	-94.3	-9.5	-169.6	-67	-75.3	0	0	0	114.1	Y104 E112 V121 F124	Y104-F108 HydrophobicContact CD1-CB 4.5Å; Y104-F108 AromaticContact CD2-CD2 3.4Å; Y104-F108 HydrophobicContact CD2-CD2 3.4Å; Y104-F108 VanDerWaalsContact CD2-CD2 3.4Å; Y104-F108 AromaticContact CD2-CE2 3.91Å; Y104-F108 HydrophobicContact CD2-CE2 3.91Å; Y104-F108 HydrophobicContact CD2-CG 4.31Å; Y104-F108 HydrophobicContact CE1-CB 4.13Å; Y104-F108 HydrophobicContact CE2-CB 4.28Å; Y104-F108 AromaticContact CE2-CD2 3.42Å; Y104-F108 HydrophobicContact CE2-CD2 3.42Å; Y104-F108 VanDerWaalsContact CE2-CD2 3.42Å; Y104-F108 AromaticContact CE2-CE2 3.97Å; Y104-F108 HydrophobicContact CE2-CE2 3.97Å; Y104-F108 AromaticContact CE2-CG 3.97Å; Y104-F108 HydrophobicContact CE2-CG 3.97Å; Y104-F108 HydrophobicContact CG-CD2 4Å; Y104-F108 PolarHBondContact O-N 3.25Å; F108-E112 VanDerWaalsContact O-CB 3.3Å; F108-E112 WeakPolarHBondContact O-CB 3.36Å; F108-V121 HydrophobicContact CD1-CG2 4.14Å; F108-V121 HydrophobicContact CE1-CG2 3.69Å; F108-V121 HydrophobicContact CE2-CG2 4.38Å; F108-V121 HydrophobicContact CZ-CB 4.28Å; F108-V121 HydrophobicContact CZ-CG2 3.84Å; F108-F124 HydrophobicContact CE2-CB 3.76Å; F108-F124 AromaticContact CE2-CD1 3.82Å; F108-F124 HydrophobicContact CE2-CD1 3.82Å; F108-F124 AromaticContact CE2-CD2 3.94Å; F108-F124 HydrophobicContact CE2-CD2 3.94Å; F108-F124 HydrophobicContact CE2-CE1 4.38Å; F108-F124 HydrophobicContact CE2-CE2 4.49Å; F108-F124 AromaticContact CE2-CG 3.57Å; F108-F124 HydrophobicContact CE2-CG 3.57Å; F108-F124 HydrophobicContact CZ-CB 3.65Å; F108-F124 HydrophobicContact CZ-CD2 4.5Å; F108-F124 HydrophobicContact CZ-CG 4.02Å
109	I	96.3	Very high	95.2	Very high	73 Å²	73	54.7 Å²	54.7	37%	0.374	27%	0.27	S	S	.	.	I	π-helix	trans	-111.3	-58.4	175.5	-51.9	-178.1	0	0	0	110	I105 K113	I105-I109 HydrophobicContact CB-CD1 4.35Å; I105-I109 HydrophobicContact CG1-CD1 4.04Å; I105-I109 HydrophobicContact CG2-CB 4.45Å; I105-I109 HydrophobicContact CG2-CD1 4.24Å; I105-I109 WeakPolarHBondContact O-CA 3.42Å; I105-I109 WeakPolarHBondContact O-CB 3.44Å; I105-I109 PolarHBondContact O-N 3.44Å; I105-I109 VanDerWaalsContact O-N 3.1Å; I109-K113 WeakPolarHBondContact O-CB 3.37Å; I109-K113 PolarHBondContact O-N 2.96Å
110	I	96.1	Very high	95.2	Very high	13 Å²	13	59 Å²	59	7%	0.067	29%	0.285	C	S	.	.	I	π-helix	trans	-76.5	-57.8	-174.5	-55.9	-176	0	0	0	111.3	Y33 D36 L37 L40 I105 R106 E112 K113 H114	Y33-I110 HydrophobicContact CD2-CG2 4.27Å; Y33-I110 HydrophobicContact CE2-CG2 4.17Å; D36-I110 HydrophobicContact CB-CG2 4.12Å; L37-I110 HydrophobicContact CD2-CG2 4Å; L37-I110 HydrophobicContact CG-CG2 4.37Å; L40-I110 HydrophobicContact CB-CD1 3.63Å; L40-I110 HydrophobicContact CD2-CD1 3.5Å; L40-I110 VanDerWaalsContact CD2-CD1 3.5Å; L40-I110 HydrophobicContact CG-CD1 4.09Å; I105-I110 PolarHBondContact O-N 3.49Å; R106-I110 WeakPolarHBondContact O-CB 3.04Å; R106-I110 PolarHBondContact O-N 2.71Å; I110-E112 PolarHBondContact O-N 3.05Å; I110-K113 WeakPolarHBondContact O-CB 3.43Å; I110-K113 PolarHBondContact O-N 3.38Å; I110-K113 VanDerWaalsContact O-N 3.17Å; I110-H114 PolarHBondContact O-CD2 2.89Å; I110-H114 VanDerWaalsContact O-CD2 3.24Å; I110-H114 PolarHBondContact O-N 3.1Å
111	E	95.6	Very high	95.2	Very high	19 Å²	19	58.8 Å²	58.8	9%	0.089	29%	0.286	C	S	.	.	I	π-helix	trans	-62.4	-34.3	-179.3	-62.2	-59.9	145.2	0	0	111.4	Y33 R106 V107 G115 F116 N117 H224	Y33-E111 PolarHBondContact OH-OE1 3.16Å; Y33-E111 PolarHBondContact OH-OE2 2.99Å; R106-E111 HydrophobicContact CG-CG 4.43Å; R106-E111 IonicContact NH1-OE1 3.93Å; R106-E111 WeakPolarHBondContact O-CG 3.28Å; R106-E111 PolarHBondContact O-N 3.31Å; V107-E111 WeakPolarHBondContact O-CB 3.12Å; E111-G115 PolarHBondContact O-N 3.03Å; E111-G115 VanDerWaalsContact O-N 3.1Å; E111-F116 HydrophobicContact CB-CB 4.24Å; E111-F116 PolarHBondContact O-N 3.07Å; E111-F116 WeakPolarHBondContact OE2-CB 3.36Å; E111-F116 WeakPolarHBondContact OE2-CD2 3.43Å; E111-N117 HydrophobicContact CB-CB 4.01Å; E111-N117 PolarHBondContact O-N 2.78Å; E111-N117 VanDerWaalsContact O-N 3.14Å; E111-H224 IonicContact OE2-NE2 2.8Å
112	E	95.6	Very high	95.1	Very high	103 Å²	103	59.4 Å²	59.4	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-48.4	172.8	-169.1	67.1	-145.6	0	0	111.9	V107 F108 I110 H114 G115 N117	V107-E112 PolarHBondContact O-N 3.42Å; F108-E112 VanDerWaalsContact O-CB 3.3Å; F108-E112 WeakPolarHBondContact O-CB 3.36Å; I110-E112 PolarHBondContact O-N 3.05Å; E112-H114 PolarHBondContact O-N 3.13Å; E112-G115 PolarHBondContact O-N 2.84Å; E112-N117 HydrophobicContact CB-CB 4.32Å; E112-N117 WeakPolarHBondContact OE2-CB 3.25Å; E112-N117 PolarHBondContact OE2-ND2 2.95Å
113	K	94.8	Very high	95.1	Very high	104 Å²	104	58.8 Å²	58.8	45%	0.452	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-38.4	177.6	174.8	-175.5	178	-171.8	0	112.2	D36 I109 I110	D36-K113 IonicContact OD1-NZ 2.67Å; D36-K113 PolarHBondContact OD1-NZ 3.15Å; D36-K113 WeakPolarHBondContact OD2-CE 3.28Å; D36-K113 IonicContact OD2-NZ 3.2Å; D36-K113 PolarHBondContact OD2-NZ 2.97Å; I109-K113 WeakPolarHBondContact O-CB 3.37Å; I109-K113 PolarHBondContact O-N 2.96Å; I110-K113 WeakPolarHBondContact O-CB 3.43Å; I110-K113 PolarHBondContact O-N 3.38Å; I110-K113 VanDerWaalsContact O-N 3.17Å
114	H	94	Very high	95.1	Very high	33 Å²	33	57.7 Å²	57.7	15%	0.153	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	4.7	-179.8	-67	-75.9	0	0	0	113.6	Y33 D36 I110 E112 F116	Y33-H114 WeakPolarHBondContact CA-CE1 3.32Å; Y33-H114 WeakPolarHBondContact CA-NE2 3.37Å; Y33-H114 HydrophobicContact CD2-CB 3.84Å; Y33-H114 AromaticContact CD2-CD2 3.48Å; Y33-H114 VanDerWaalsContact CD2-CD2 3.48Å; Y33-H114 WeakPolarHBondContact CD2-CD2 3.46Å; Y33-H114 AromaticContact CD2-CG 3.55Å; Y33-H114 HydrophobicContact CE2-CB 4.37Å; Y33-H114 HydrophobicContact CG-CB 4.34Å; Y33-H114 PolarHBondContact N-CE1 2.9Å; Y33-H114 VanDerWaalsContact N-CE1 3.29Å; D36-H114 IonicContact OD2-CD2 2.76Å; D36-H114 IonicContact OD2-CE1 2.7Å; D36-H114 IonicContact OD2-NE2 2.7Å; D36-H114 PolarHBondContact OD2-NE2 3.42Å; I110-H114 PolarHBondContact O-CD2 2.89Å; I110-H114 VanDerWaalsContact O-CD2 3.24Å; I110-H114 PolarHBondContact O-N 3.1Å; E112-H114 PolarHBondContact O-N 3.13Å; H114-F116 VanDerWaalsContact C-N 3.32Å; H114-F116 HydrophobicContact CB-CD2 3.83Å; H114-F116 HydrophobicContact CB-CE2 4.07Å; H114-F116 PolarHBondContact O-N 2.92Å
115	G	91.4	Very high	95	Very high	40 Å²	40	57 Å²	57	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	8.1	171.7	0	0	0	0	0	115.6	E111 E112 K118	E111-G115 PolarHBondContact O-N 3.03Å; E111-G115 VanDerWaalsContact O-N 3.1Å; E112-G115 PolarHBondContact O-N 2.84Å; G115-K118 PolarHBondContact O-NZ 2.78Å
116	F	92.6	Very high	95	Very high	7 Å²	7	61.7 Å²	61.7	3%	0.031	31%	0.308	C	S	.	.			trans	-82.1	-35.4	-178.7	-72.8	-66.4	0	0	0	113.4	Y33 E111 H114 S222 S223 H224 D414 L416	Y33-F116 AromaticContact CD1-CE2 3.92Å; Y33-F116 HydrophobicContact CD1-CE2 3.92Å; Y33-F116 HydrophobicContact CD2-CE2 4.39Å; Y33-F116 HydrophobicContact CE1-CD2 4.3Å; Y33-F116 AromaticContact CE1-CE2 3.7Å; Y33-F116 HydrophobicContact CE1-CE2 3.7Å; Y33-F116 HydrophobicContact CE1-CZ 4.39Å; Y33-F116 HydrophobicContact CE2-CD2 4.12Å; Y33-F116 HydrophobicContact CE2-CE2 4.19Å; Y33-F116 HydrophobicContact CG-CE2 4.27Å; Y33-F116 AromaticContact CZ-CD2 3.96Å; Y33-F116 AromaticContact CZ-CE2 3.83Å; E111-F116 HydrophobicContact CB-CB 4.24Å; E111-F116 PolarHBondContact O-N 3.07Å; E111-F116 WeakPolarHBondContact OE2-CB 3.36Å; E111-F116 WeakPolarHBondContact OE2-CD2 3.43Å; H114-F116 VanDerWaalsContact C-N 3.32Å; H114-F116 HydrophobicContact CB-CD2 3.83Å; H114-F116 HydrophobicContact CB-CE2 4.07Å; H114-F116 PolarHBondContact O-N 2.92Å; F116-S222 CarbonylContact O-C 3.59Å; F116-S222 VanDerWaalsContact O-CA 3.24Å; F116-S222 WeakPolarHBondContact O-CA 3.5Å; F116-S223 VanDerWaalsContact CD1-OG 3.23Å; F116-S223 WeakPolarHBondContact CD1-OG 3.38Å; F116-S223 PolarHBondContact O-N 3.47Å; F116-S223 VanDerWaalsContact O-N 3.09Å; F116-H224 AromaticContact CD1-CE1 3.52Å; F116-H224 AromaticContact CD1-ND1 3.95Å; F116-H224 AromaticContact CD1-NE2 3.79Å; F116-H224 AromaticContact CE1-CE1 3.59Å; F116-H224 AromaticContact CE1-ND1 3.92Å; F116-H224 AromaticContact CG-CE1 3.89Å; F116-H224 AromaticContact CG-NE2 3.82Å; F116-H224 AromaticContact CZ-CE1 3.93Å; F116-D414 WeakPolarHBondContact CE1-O 3.04Å; F116-L416 HydrophobicContact CE2-CB 4.19Å; F116-L416 HydrophobicContact CE2-CD1 3.71Å; F116-L416 HydrophobicContact CE2-CG 4.17Å; F116-L416 HydrophobicContact CZ-CB 3.79Å; F116-L416 HydrophobicContact CZ-CD1 3.67Å; F116-L416 HydrophobicContact CZ-CG 3.66Å
117	N	94.9	Very high	94.9	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.048	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-63.9	139.1	-178.5	-177.7	40	0	0	0	111.5	V107 E111 E112 Q119	V107-N117 WeakPolarHBondContact CG1-OD1 3.18Å; V107-N117 WeakPolarHBondContact O-CB 3.19Å; E111-N117 HydrophobicContact CB-CB 4.01Å; E111-N117 PolarHBondContact O-N 2.78Å; E111-N117 VanDerWaalsContact O-N 3.14Å; E112-N117 HydrophobicContact CB-CB 4.32Å; E112-N117 WeakPolarHBondContact OE2-CB 3.25Å; E112-N117 PolarHBondContact OE2-ND2 2.95Å; N117-Q119 PolarHBondContact ND2-O 2.84Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.33Å; N117-Q119 PolarHBondContact OD1-N 2.89Å
118	K	92.9	Very high	94.9	Very high	104 Å²	104	57.1 Å²	57.1	45%	0.452	29%	0.292	S	S	.	.			trans	-131.1	-1.2	174.4	-58.2	-68	158.7	-112.2	0	112.3	G115 S219	G115-K118 PolarHBondContact O-NZ 2.78Å; K118-S219 WeakPolarHBondContact CB-O 3.26Å; K118-S219 WeakPolarHBondContact CG-O 3.48Å
119	Q	92.2	Very high	94.9	Very high	31 Å²	31	60.1 Å²	60.1	15%	0.145	31%	0.309	C	S	.	.			trans	-86.8	145.5	-173.8	-64.7	173.5	63.1	0	0	111.3	N117 F123 K220 R221	N117-Q119 PolarHBondContact ND2-O 2.84Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.33Å; N117-Q119 PolarHBondContact OD1-N 2.89Å; Q119-F123 HydrophobicContact CB-CD1 4.05Å; Q119-F123 HydrophobicContact CG-CD1 3.75Å; Q119-F123 HydrophobicContact CG-CE1 3.97Å; Q119-K220 WeakPolarHBondContact CG-O 3.39Å; Q119-R221 HydrophobicContact CG-CB 4.42Å; Q119-R221 WeakPolarHBondContact CG-O 3.48Å; Q119-R221 PolarHBondContact NE2-O 2.86Å
120	K	94.7	Very high	94.9	Very high	169 Å²	169	59 Å²	59	74%	0.735	30%	0.302	S	S	*	.			trans	-86.5	151.5	165.2	-62.7	-175.9	-179.9	-178.3	0	109.8	A122 F123 F124	K120-A122 VanDerWaalsContact C-N 3.26Å; K120-A122 PolarHBondContact O-N 3.2Å; K120-F123 WeakPolarHBondContact O-CA 3.41Å; K120-F123 WeakPolarHBondContact O-CB 3.2Å; K120-F123 PolarHBondContact O-N 2.87Å; K120-F124 PolarHBondContact O-N 3.38Å
121	V	95.1	Very high	94.9	Very high	63 Å²	63	62.7 Å²	62.7	38%	0.382	32%	0.318	S	S	.	.	H	α-helix	trans	-54.4	-41.1	177.2	179.1	0	0	0	0	112.2	F108 F123 F124 I125	F108-V121 HydrophobicContact CD1-CG2 4.14Å; F108-V121 HydrophobicContact CE1-CG2 3.69Å; F108-V121 HydrophobicContact CE2-CG2 4.38Å; F108-V121 HydrophobicContact CZ-CB 4.28Å; F108-V121 HydrophobicContact CZ-CG2 3.84Å; V121-F123 VanDerWaalsContact C-N 3.32Å; V121-F123 PolarHBondContact O-N 3.01Å; V121-F124 PolarHBondContact O-N 3.26Å; V121-I125 HydrophobicContact CG1-CD1 3.83Å; V121-I125 HydrophobicContact CG1-CG1 4.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.42Å; V121-I125 PolarHBondContact O-N 3.43Å
122	A	95.6	Very high	95	Very high	79 Å²	79	63.7 Å²	63.7	65%	0.653	32%	0.324	S	S	*	.	H	α-helix	trans	-62.6	-37.2	177.1	0	0	0	0	0	113.1	K120 K126	K120-A122 VanDerWaalsContact C-N 3.26Å; K120-A122 PolarHBondContact O-N 3.2Å; A122-K126 WeakPolarHBondContact O-CB 3.43Å; A122-K126 PolarHBondContact O-N 3.22Å; A122-K126 VanDerWaalsContact O-N 3.16Å
123	F	95	Very high	95.1	Very high	40 Å²	40	63.7 Å²	63.7	18%	0.175	33%	0.327	C	S	.	.	H	α-helix	trans	-67.5	-45.8	174.9	176.1	-95.4	0	0	0	110.5	Q119 K120 V121 I125 K126 D127 K220 R221	Q119-F123 HydrophobicContact CB-CD1 4.05Å; Q119-F123 HydrophobicContact CG-CD1 3.75Å; Q119-F123 HydrophobicContact CG-CE1 3.97Å; K120-F123 WeakPolarHBondContact O-CA 3.41Å; K120-F123 WeakPolarHBondContact O-CB 3.2Å; K120-F123 PolarHBondContact O-N 2.87Å; V121-F123 VanDerWaalsContact C-N 3.32Å; V121-F123 PolarHBondContact O-N 3.01Å; F123-I125 PolarHBondContact O-N 3.37Å; F123-K126 PolarHBondContact O-N 3.05Å; F123-D127 HydrophobicContact CE1-CB 4.45Å; F123-D127 WeakPolarHBondContact O-CB 3.33Å; F123-D127 PolarHBondContact O-N 2.84Å; F123-K220 HydrophobicContact CE2-CD 4.08Å; F123-K220 HydrophobicContact CZ-CD 4.26Å; F123-K220 HydrophobicContact CZ-CG 4.46Å; F123-R221 HydrophobicContact CE1-CG 4.19Å; F123-R221 HydrophobicContact CZ-CG 4.48Å
124	F	96.1	Very high	95.2	Very high	11 Å²	11	60.2 Å²	60.2	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-57.5	-49.6	177.5	173.9	-94.7	0	0	0	112.4	L100 S103 Y104 V107 F108 K120 V121 K126 D127 T128	L100-F124 HydrophobicContact CD1-CE1 3.83Å; L100-F124 HydrophobicContact CD1-CZ 4.18Å; S103-F124 WeakPolarHBondContact OG-CE2 3.07Å; S103-F124 WeakPolarHBondContact OG-CZ 3.4Å; Y104-F124 HydrophobicContact CD2-CE1 4.43Å; V107-F124 HydrophobicContact CB-CE2 4.49Å; V107-F124 HydrophobicContact CG2-CD2 4.46Å; V107-F124 HydrophobicContact CG2-CE2 4.12Å; F108-F124 HydrophobicContact CE2-CB 3.76Å; F108-F124 AromaticContact CE2-CD1 3.82Å; F108-F124 HydrophobicContact CE2-CD1 3.82Å; F108-F124 AromaticContact CE2-CD2 3.94Å; F108-F124 HydrophobicContact CE2-CD2 3.94Å; F108-F124 HydrophobicContact CE2-CE1 4.38Å; F108-F124 HydrophobicContact CE2-CE2 4.49Å; F108-F124 AromaticContact CE2-CG 3.57Å; F108-F124 HydrophobicContact CE2-CG 3.57Å; F108-F124 HydrophobicContact CZ-CB 3.65Å; F108-F124 HydrophobicContact CZ-CD2 4.5Å; F108-F124 HydrophobicContact CZ-CG 4.02Å; K120-F124 PolarHBondContact O-N 3.38Å; V121-F124 PolarHBondContact O-N 3.26Å; F124-K126 PolarHBondContact O-N 2.95Å; F124-D127 PolarHBondContact O-N 3.32Å; F124-T128 WeakPolarHBondContact O-CB 3.2Å; F124-T128 PolarHBondContact O-N 2.82Å; F124-T128 PolarHBondContact O-OG1 3.06Å
125	I	95.7	Very high	95.3	Very high	88 Å²	88	61.1 Å²	61.1	45%	0.451	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-47.1	179.5	-66.2	170.6	0	0	0	110.8	V121 F123 D127 T128 I129	V121-I125 HydrophobicContact CG1-CD1 3.83Å; V121-I125 HydrophobicContact CG1-CG1 4.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.42Å; V121-I125 PolarHBondContact O-N 3.43Å; F123-I125 PolarHBondContact O-N 3.37Å; I125-D127 VanDerWaalsContact C-N 3.31Å; I125-D127 PolarHBondContact O-N 3.02Å; I125-T128 PolarHBondContact O-N 3.36Å; I125-I129 HydrophobicContact CG2-CD1 3.79Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 3.49Å
126	K	96.2	Very high	95.6	Very high	147 Å²	147	60.9 Å²	60.9	64%	0.639	31%	0.313	S	S	*	.	H	α-helix	trans	-58.8	-45.5	177.7	-179.6	-177.2	175.9	-177.9	0	111.2	A122 F123 F124 M130	A122-K126 WeakPolarHBondContact O-CB 3.43Å; A122-K126 PolarHBondContact O-N 3.22Å; A122-K126 VanDerWaalsContact O-N 3.16Å; F123-K126 PolarHBondContact O-N 3.05Å; F124-K126 PolarHBondContact O-N 2.95Å; K126-M130 VanDerWaalsContact O-CB 3.28Å; K126-M130 WeakPolarHBondContact O-CB 3.45Å; K126-M130 PolarHBondContact O-N 2.9Å
127	D	95.4	Very high	95.9	Very high	6 Å²	6	65.7 Å²	65.7	3%	0.032	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-44.7	-179.4	-171.4	68	0	0	0	111.7	F123 F124 I125 M130 K131 R221	F123-D127 HydrophobicContact CE1-CB 4.45Å; F123-D127 WeakPolarHBondContact O-CB 3.33Å; F123-D127 PolarHBondContact O-N 2.84Å; F124-D127 PolarHBondContact O-N 3.32Å; I125-D127 VanDerWaalsContact C-N 3.31Å; I125-D127 PolarHBondContact O-N 3.02Å; D127-M130 PolarHBondContact O-N 2.91Å; D127-K131 WeakPolarHBondContact O-CB 3.42Å; D127-K131 VanDerWaalsContact O-CG 3.3Å; D127-K131 WeakPolarHBondContact O-CG 3.49Å; D127-K131 PolarHBondContact O-N 3.46Å; D127-K131 WeakPolarHBondContact OD2-CE 3.32Å; D127-K131 IonicContact OD2-NZ 3.71Å; D127-K131 PolarHBondContact OD2-NZ 3.5Å; D127-R221 IonicContact OD1-CZ 3.32Å; D127-R221 IonicContact OD1-NH1 3.47Å; D127-R221 PolarHBondContact OD1-NH1 2.9Å; D127-R221 IonicContact OD1-NH2 2.72Å; D127-R221 PolarHBondContact OD1-NH2 3.03Å; D127-R221 IonicContact OD2-CZ 3.45Å; D127-R221 IonicContact OD2-NH1 3.76Å; D127-R221 PolarHBondContact OD2-NH1 3.31Å; D127-R221 IonicContact OD2-NH2 3.62Å
128	T	95.5	Very high	96	Very high	30 Å²	30	67.5 Å²	67.5	18%	0.184	35%	0.352	C	S	.	.	H	α-helix	trans	-61.8	-46.3	176.8	-60.1	0	0	0	0	112.1	L100 F124 I125 M130 K131 L132	L100-T128 HydrophobicContact CD1-CG2 4.17Å; F124-T128 WeakPolarHBondContact O-CB 3.2Å; F124-T128 PolarHBondContact O-N 2.82Å; F124-T128 PolarHBondContact O-OG1 3.06Å; I125-T128 PolarHBondContact O-N 3.36Å; T128-M130 PolarHBondContact O-N 3.29Å; T128-K131 PolarHBondContact O-N 3.02Å; T128-L132 PolarHBondContact O-N 3.26Å
129	I	96.6	Very high	96.2	Very high	93 Å²	93	64.4 Å²	64.4	48%	0.477	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-44.9	177.1	-67.1	169.1	0	0	0	110.6	I125 K131 L132 L133	I125-I129 HydrophobicContact CG2-CD1 3.79Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 3.49Å; I129-K131 PolarHBondContact O-N 3.36Å; I129-L132 PolarHBondContact O-N 3.48Å; I129-L133 HydrophobicContact CG2-CD1 3.93Å; I129-L133 HydrophobicContact CG2-CG 4.32Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.4Å
130	M	96.3	Very high	96.4	Very high	49 Å²	49	65.9 Å²	65.9	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-40.2	-179.7	-171.2	169.4	75.1	0	0	111.9	K126 D127 T128 L133 V134 L183 F184	K126-M130 VanDerWaalsContact O-CB 3.28Å; K126-M130 WeakPolarHBondContact O-CB 3.45Å; K126-M130 PolarHBondContact O-N 2.9Å; D127-M130 PolarHBondContact O-N 2.91Å; T128-M130 PolarHBondContact O-N 3.29Å; M130-L133 PolarHBondContact O-N 2.58Å; M130-V134 WeakPolarHBondContact O-CB 3.37Å; M130-V134 VanDerWaalsContact O-CG2 3.3Å; M130-V134 WeakPolarHBondContact O-CG2 3.46Å; M130-V134 PolarHBondContact O-N 3.3Å; M130-L183 HydrophobicContact CE-CB 4.5Å; M130-L183 WeakPolarHBondContact CE-O 3.43Å; M130-F184 HydrophobicContact CB-CE1 4.13Å; M130-F184 HydrophobicContact CE-CB 4.42Å; M130-F184 HydrophobicContact CE-CD1 3.15Å; M130-F184 HydrophobicContact CE-CE1 3.36Å; M130-F184 HydrophobicContact CE-CG 3.92Å; M130-F184 HydrophobicContact CE-CZ 4.31Å; M130-F184 HydrophobicContact CG-CE1 3.86Å; M130-F184 HydrophobicContact CG-CZ 4.39Å; M130-F184 HydrophobicContact SD-CE1 4.44Å
131	K	96.3	Very high	96.5	Very high	92 Å²	92	61.4 Å²	61.4	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-59.4	-49.6	173.7	-76.6	171.4	175.2	164.7	0	110.9	D127 T128 I129 L133 V134 S135 F184	D127-K131 WeakPolarHBondContact O-CB 3.42Å; D127-K131 VanDerWaalsContact O-CG 3.3Å; D127-K131 WeakPolarHBondContact O-CG 3.49Å; D127-K131 PolarHBondContact O-N 3.46Å; D127-K131 WeakPolarHBondContact OD2-CE 3.32Å; D127-K131 IonicContact OD2-NZ 3.71Å; D127-K131 PolarHBondContact OD2-NZ 3.5Å; T128-K131 PolarHBondContact O-N 3.02Å; I129-K131 PolarHBondContact O-N 3.36Å; K131-L133 PolarHBondContact O-N 3.04Å; K131-V134 PolarHBondContact O-N 2.95Å; K131-S135 WeakPolarHBondContact O-CB 3.36Å; K131-S135 PolarHBondContact O-N 3.46Å; K131-S135 PolarHBondContact O-OG 2.94Å; K131-S135 VanDerWaalsContact O-OG 3.05Å; K131-F184 HydrophobicContact CB-CE1 4.19Å; K131-F184 HydrophobicContact CG-CD1 3.91Å; K131-F184 HydrophobicContact CG-CE1 3.35Å; K131-F184 HydrophobicContact CG-CZ 3.89Å
132	L	97.4	Very high	96.7	Very high	40 Å²	40	60 Å²	60	21%	0.209	33%	0.331	C	S	.	.	H	α-helix	trans	-58.8	-46.6	178.5	178.9	60.5	0	0	0	111.9	M92 I93 T128 I129 S135 L136	M92-L132 HydrophobicContact CB-CD1 4.45Å; I93-L132 HydrophobicContact CG1-CD2 4.38Å; T128-L132 PolarHBondContact O-N 3.26Å; I129-L132 PolarHBondContact O-N 3.48Å; L132-S135 PolarHBondContact O-N 2.72Å; L132-L136 HydrophobicContact CD1-CD1 4.12Å; L132-L136 HydrophobicContact CD1-CG 4.2Å; L132-L136 HydrophobicContact CG-CD1 4.02Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.82Å
133	L	97.7	Very high	96.8	Very high	103 Å²	103	56.9 Å²	56.9	54%	0.539	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-46.4	179.4	-70.5	175.3	0	0	0	112.4	I129 M130 K131 S135 L136 V137	I129-L133 HydrophobicContact CG2-CD1 3.93Å; I129-L133 HydrophobicContact CG2-CG 4.32Å; I129-L133 WeakPolarHBondContact O-CG 3.38Å; I129-L133 PolarHBondContact O-N 3.4Å; M130-L133 PolarHBondContact O-N 2.58Å; K131-L133 PolarHBondContact O-N 3.04Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.46Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.35Å; L133-V137 PolarHBondContact O-N 3.4Å
134	V	97.5	Very high	96.9	Very high	30 Å²	30	56.3 Å²	56.3	18%	0.182	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-43.3	177	170.9	0	0	0	0	110.6	M130 K131 V137 I138 I180 L183 F184	M130-V134 WeakPolarHBondContact O-CB 3.37Å; M130-V134 VanDerWaalsContact O-CG2 3.3Å; M130-V134 WeakPolarHBondContact O-CG2 3.46Å; M130-V134 PolarHBondContact O-N 3.3Å; K131-V134 PolarHBondContact O-N 2.95Å; V134-V137 PolarHBondContact O-N 2.9Å; V134-I138 HydrophobicContact CG1-CD1 3.77Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.38Å; V134-I180 HydrophobicContact CG1-CG2 4.13Å; V134-L183 HydrophobicContact CG2-CD1 4.15Å; V134-F184 HydrophobicContact CB-CZ 4.23Å; V134-F184 HydrophobicContact CG2-CZ 4.06Å
135	S	96.8	Very high	96.9	Very high	53 Å²	53	57.1 Å²	57.1	37%	0.371	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-44.1	176.1	-65.7	0	0	0	0	112.1	K131 L132 L133 V137 I138 T139	K131-S135 WeakPolarHBondContact O-CB 3.36Å; K131-S135 PolarHBondContact O-N 3.46Å; K131-S135 PolarHBondContact O-OG 2.94Å; K131-S135 VanDerWaalsContact O-OG 3.05Å; L132-S135 PolarHBondContact O-N 2.72Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-S135 PolarHBondContact O-N 3.46Å; S135-V137 PolarHBondContact O-N 3.5Å; S135-I138 PolarHBondContact O-N 3.22Å; S135-T139 VanDerWaalsContact O-CB 3.25Å; S135-T139 WeakPolarHBondContact O-CB 3.46Å; S135-T139 PolarHBondContact O-N 3.35Å; S135-T139 PolarHBondContact O-OG1 3.27Å
136	L	97.8	Very high	97	Very high	34 Å²	34	54 Å²	54	18%	0.178	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-43.5	176.7	-73.9	168.4	0	0	0	112	M92 I93 L132 L133 I138 T140	M92-L136 HydrophobicContact CB-CD2 4.26Å; M92-L136 HydrophobicContact CE-CD2 4.33Å; M92-L136 HydrophobicContact SD-CD2 4.11Å; I93-L136 HydrophobicContact CD1-CD1 4.47Å; I93-L136 HydrophobicContact CG1-CD1 4.3Å; L132-L136 HydrophobicContact CD1-CD1 4.12Å; L132-L136 HydrophobicContact CD1-CG 4.2Å; L132-L136 HydrophobicContact CG-CD1 4.02Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 VanDerWaalsContact O-CG 3.3Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.82Å; L133-L136 PolarHBondContact O-N 3.29Å; L136-I138 VanDerWaalsContact C-N 3.35Å; L136-I138 PolarHBondContact O-N 3.05Å; L136-T140 VanDerWaalsContact O-CB 3.3Å; L136-T140 WeakPolarHBondContact O-CB 3.24Å; L136-T140 PolarHBondContact O-N 3.47Å; L136-T140 PolarHBondContact O-OG1 3.25Å
137	V	97.5	Very high	97	Very high	108 Å²	108	47 Å²	47	66%	0.655	27%	0.269	S	S	*	.	H	α-helix	trans	-63.6	-39.1	178.5	170.2	0	0	0	0	111.9	L133 V134 S135 P141	L133-V137 VanDerWaalsContact O-CG2 3.32Å; L133-V137 WeakPolarHBondContact O-CG2 3.35Å; L133-V137 PolarHBondContact O-N 3.4Å; V134-V137 PolarHBondContact O-N 2.9Å; S135-V137 PolarHBondContact O-N 3.5Å; V137-P141 WeakPolarHBondContact O-CD 3.36Å
138	I	97.1	Very high	97	Very high	47 Å²	47	54.8 Å²	54.8	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-74.7	-45.8	178.6	-68.3	170.1	0	0	0	111	V134 S135 L136 T140 P141 I142 L172 I180	V134-I138 HydrophobicContact CG1-CD1 3.77Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.38Å; S135-I138 PolarHBondContact O-N 3.22Å; L136-I138 VanDerWaalsContact C-N 3.35Å; L136-I138 PolarHBondContact O-N 3.05Å; I138-T140 PolarHBondContact O-N 2.91Å; I138-P141 VanDerWaalsContact O-CD 3.32Å; I138-P141 WeakPolarHBondContact O-CD 3.44Å; I138-P141 WeakPolarHBondContact O-CG 3.21Å; I138-I142 HydrophobicContact CG2-CD1 3.72Å; I138-I142 VanDerWaalsContact O-CD1 3.3Å; I138-I142 WeakPolarHBondContact O-CD1 3.3Å; I138-I142 VanDerWaalsContact O-CG1 3.29Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-L172 HydrophobicContact CG2-CD1 4.25Å; I138-L172 HydrophobicContact CG2-CD2 4.02Å; I138-I180 HydrophobicContact CD1-CD1 3.57Å; I138-I180 HydrophobicContact CD1-CG1 4.43Å
139	T	97.3	Very high	97	Very high	40 Å²	40	54 Å²	54	25%	0.245	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-36	-176	-62	0	0	0	0	112.4	V88 M92 S135 I142 V143	V88-T139 HydrophobicContact CG1-CG2 3.86Å; M92-T139 HydrophobicContact SD-CG2 3.91Å; S135-T139 VanDerWaalsContact O-CB 3.25Å; S135-T139 WeakPolarHBondContact O-CB 3.46Å; S135-T139 PolarHBondContact O-N 3.35Å; S135-T139 PolarHBondContact O-OG1 3.27Å; T139-I142 PolarHBondContact O-N 2.95Å; T139-I142 VanDerWaalsContact O-N 3.16Å; T139-V143 HydrophobicContact CG2-CG2 3.62Å; T139-V143 WeakPolarHBondContact O-CG2 3.45Å; T139-V143 PolarHBondContact O-N 2.99Å
140	T	97.4	Very high	96.9	Very high	61 Å²	61	49.9 Å²	49.9	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-53.6	-58.5	-176.9	-66.5	0	0	0	0	114.1	V85 L136 I138 I142 V143 A144	V85-T140 HydrophobicContact CG1-CG2 3.71Å; L136-T140 VanDerWaalsContact O-CB 3.3Å; L136-T140 WeakPolarHBondContact O-CB 3.24Å; L136-T140 PolarHBondContact O-N 3.47Å; L136-T140 PolarHBondContact O-OG1 3.25Å; I138-T140 PolarHBondContact O-N 2.91Å; T140-I142 PolarHBondContact O-N 2.95Å; T140-V143 PolarHBondContact O-N 2.89Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.15Å
141	P	97.3	Very high	96.7	Very high	75 Å²	75	51.9 Å²	51.9	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-30.2	178.3	26.4	-35	0	0	0	112.3	V137 I138 A145	V137-P141 WeakPolarHBondContact O-CD 3.36Å; I138-P141 VanDerWaalsContact O-CD 3.32Å; I138-P141 WeakPolarHBondContact O-CD 3.44Å; I138-P141 WeakPolarHBondContact O-CG 3.21Å; P141-A145 WeakPolarHBondContact O-CB 3.4Å; P141-A145 PolarHBondContact O-N 2.97Å
142	I	97.8	Very high	96.4	Very high	33 Å²	33	54.6 Å²	54.6	17%	0.169	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-51.9	178.8	-63.3	170.4	0	0	0	110.9	I138 T139 T140 A144 L146 Y164 L165 I168 L172	I138-I142 HydrophobicContact CG2-CD1 3.72Å; I138-I142 VanDerWaalsContact O-CD1 3.3Å; I138-I142 WeakPolarHBondContact O-CD1 3.3Å; I138-I142 VanDerWaalsContact O-CG1 3.29Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; T139-I142 PolarHBondContact O-N 2.95Å; T139-I142 VanDerWaalsContact O-N 3.16Å; T140-I142 PolarHBondContact O-N 2.95Å; I142-A144 VanDerWaalsContact C-N 3.35Å; I142-L146 WeakPolarHBondContact O-CB 3.26Å; I142-L146 PolarHBondContact O-N 3.12Å; I142-Y164 VanDerWaalsContact CA-OH 3.32Å; I142-Y164 WeakPolarHBondContact CA-OH 3.44Å; I142-Y164 HydrophobicContact CG2-CE1 4.38Å; I142-L165 HydrophobicContact CG2-CD2 4.36Å; I142-I168 HydrophobicContact CD1-CG2 3.59Å; I142-I168 HydrophobicContact CG1-CG2 3.95Å; I142-L172 HydrophobicContact CD1-CD1 4.26Å
143	V	97.8	Very high	95.8	Very high	15 Å²	15	58.8 Å²	58.8	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-42.5	177.7	172.7	0	0	0	0	110.6	V85 V88 T139 T140 A145 L146 V147 V358	V85-V143 HydrophobicContact CG2-CB 4.46Å; V85-V143 HydrophobicContact CG2-CG1 4.22Å; V88-V143 HydrophobicContact CB-CG2 4.47Å; V88-V143 HydrophobicContact CG1-CG2 4.15Å; V88-V143 HydrophobicContact CG2-CG1 4.19Å; V88-V143 HydrophobicContact CG2-CG2 4.34Å; T139-V143 HydrophobicContact CG2-CG2 3.62Å; T139-V143 WeakPolarHBondContact O-CG2 3.45Å; T139-V143 PolarHBondContact O-N 2.99Å; T140-V143 PolarHBondContact O-N 2.89Å; V143-A145 PolarHBondContact O-N 2.85Å; V143-L146 PolarHBondContact O-N 3.39Å; V143-V147 HydrophobicContact CG1-CG2 4.22Å; V143-V147 VanDerWaalsContact O-CG2 3.29Å; V143-V147 WeakPolarHBondContact O-CG2 3.49Å; V143-V147 PolarHBondContact O-N 3.41Å; V143-V358 HydrophobicContact CG1-CG1 3.96Å
144	A	97.6	Very high	95.4	Very high	27 Å²	27	55.4 Å²	55.4	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-49	-179.8	0	0	0	0	0	112.1	V81 V85 T140 I142 W148	V81-A144 HydrophobicContact CG1-CB 3.9Å; V85-A144 HydrophobicContact CG2-CB 3.9Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.15Å; I142-A144 VanDerWaalsContact C-N 3.35Å; A144-W148 VanDerWaalsContact O-CB 3.3Å; A144-W148 WeakPolarHBondContact O-CB 3.46Å; A144-W148 PolarHBondContact O-N 2.95Å
145	A	97	Very high	94.8	Very high	29 Å²	29	62.9 Å²	62.9	24%	0.24	32%	0.323	C	S	.	.	H	α-helix	trans	-67.6	-41.7	177.5	0	0	0	0	0	112	P141 V143 V147 W148 I149 Y164	P141-A145 WeakPolarHBondContact O-CB 3.4Å; P141-A145 PolarHBondContact O-N 2.97Å; V143-A145 PolarHBondContact O-N 2.85Å; A145-V147 PolarHBondContact O-N 3.34Å; A145-W148 PolarHBondContact O-N 3.45Å; A145-I149 VanDerWaalsContact O-CG1 3.22Å; A145-I149 WeakPolarHBondContact O-CG1 3.44Å; A145-I149 PolarHBondContact O-N 3.3Å; A145-Y164 HydrophobicContact CB-CE1 4.14Å; A145-Y164 HydrophobicContact CB-CE2 4.01Å; A145-Y164 WeakPolarHBondContact CB-OH 3.47Å
146	L	96.7	Very high	94.5	Very high	22 Å²	22	65.9 Å²	65.9	12%	0.115	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-51.9	177	175.3	63.8	0	0	0	111.7	I142 V143 W148 I149 I150 T161 Y164 L165 L361	I142-L146 WeakPolarHBondContact O-CB 3.26Å; I142-L146 PolarHBondContact O-N 3.12Å; V143-L146 PolarHBondContact O-N 3.39Å; L146-W148 VanDerWaalsContact C-N 3.33Å; L146-W148 PolarHBondContact O-N 2.81Å; L146-I149 PolarHBondContact O-N 3.17Å; L146-I150 HydrophobicContact CD1-CD1 3.73Å; L146-I150 HydrophobicContact CD1-CG1 4.41Å; L146-I150 HydrophobicContact CG-CD1 4.08Å; L146-I150 WeakPolarHBondContact O-CG1 3.41Å; L146-I150 PolarHBondContact O-N 3.14Å; L146-T161 HydrophobicContact CD1-CG2 3.38Å; L146-Y164 HydrophobicContact CB-CE1 4.49Å; L146-L165 HydrophobicContact CD1-CD1 4.21Å; L146-L165 HydrophobicContact CD1-CD2 4.45Å; L146-L165 HydrophobicContact CD1-CG 4.46Å; L146-L361 HydrophobicContact CD2-CD1 3.8Å; L146-L361 HydrophobicContact CG-CD1 4.29Å
147	V	96.2	Very high	94.1	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-43.4	178.7	175.6	0	0	0	0	110.2	V81 V143 A145 I149 I150 K151 V357 V358	V81-V147 HydrophobicContact CG2-CB 4.37Å; V81-V147 HydrophobicContact CG2-CG1 3.88Å; V143-V147 HydrophobicContact CG1-CG2 4.22Å; V143-V147 VanDerWaalsContact O-CG2 3.29Å; V143-V147 WeakPolarHBondContact O-CG2 3.49Å; V143-V147 PolarHBondContact O-N 3.41Å; A145-V147 PolarHBondContact O-N 3.34Å; V147-I149 PolarHBondContact O-N 2.83Å; V147-I150 PolarHBondContact O-N 2.8Å; V147-K151 HydrophobicContact CG1-CD 3.95Å; V147-K151 HydrophobicContact CG1-CG 4.19Å; V147-K151 VanDerWaalsContact O-CB 3.32Å; V147-K151 WeakPolarHBondContact O-CB 3.17Å; V147-K151 VanDerWaalsContact O-CG 3.25Å; V147-K151 WeakPolarHBondContact O-CG 3.38Å; V147-K151 PolarHBondContact O-N 3.12Å; V147-V357 HydrophobicContact CG1-CB 4.16Å; V147-V357 HydrophobicContact CG1-CG2 4.29Å; V147-V357 HydrophobicContact CG2-CB 4.28Å; V147-V357 HydrophobicContact CG2-CG1 4.2Å; V147-V358 HydrophobicContact CG2-CG1 3.55Å
148	W	95.5	Very high	93.8	Very high	170 Å²	170	61.5 Å²	61.5	64%	0.644	31%	0.305	S	S	*	.	H	α-helix	trans	-59.8	-45.1	177.6	-179.7	81.7	0	0	0	112.8	V81 A144 A145 L146 K151 W152	V81-W148 HydrophobicContact CG2-CB 4.45Å; A144-W148 VanDerWaalsContact O-CB 3.3Å; A144-W148 WeakPolarHBondContact O-CB 3.46Å; A144-W148 PolarHBondContact O-N 2.95Å; A145-W148 PolarHBondContact O-N 3.45Å; L146-W148 VanDerWaalsContact C-N 3.33Å; L146-W148 PolarHBondContact O-N 2.81Å; W148-K151 PolarHBondContact O-N 3.07Å; W148-W152 PolarHBondContact O-N 3.4Å
149	I	95.5	Very high	93.6	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.062	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-44.8	177.9	-66.9	165.7	0	0	0	111.1	A145 L146 V147 W152 V160 T161 Y164	A145-I149 VanDerWaalsContact O-CG1 3.22Å; A145-I149 WeakPolarHBondContact O-CG1 3.44Å; A145-I149 PolarHBondContact O-N 3.3Å; L146-I149 PolarHBondContact O-N 3.17Å; V147-I149 PolarHBondContact O-N 2.83Å; I149-W152 VanDerWaalsContact O-CB 3.26Å; I149-W152 WeakPolarHBondContact O-CB 3.39Å; I149-W152 PolarHBondContact O-N 3.23Å; I149-V160 HydrophobicContact CD1-CG1 4.39Å; I149-V160 HydrophobicContact CG2-CB 4.11Å; I149-V160 HydrophobicContact CG2-CG1 3.73Å; I149-T161 WeakPolarHBondContact CG2-OG1 3.35Å; I149-Y164 HydrophobicContact CD1-CD1 3.98Å; I149-Y164 HydrophobicContact CD1-CD2 4.09Å; I149-Y164 HydrophobicContact CD1-CG 3.67Å
150	I	93.9	Very high	93.6	Very high	7 Å²	7	65 Å²	65	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-40.1	-179.6	-68.2	169.7	0	0	0	110.6	L146 V147 W152 Q153 T161 F336 Y340 V357 L361	L146-I150 HydrophobicContact CD1-CD1 3.73Å; L146-I150 HydrophobicContact CD1-CG1 4.41Å; L146-I150 HydrophobicContact CG-CD1 4.08Å; L146-I150 WeakPolarHBondContact O-CG1 3.41Å; L146-I150 PolarHBondContact O-N 3.14Å; V147-I150 PolarHBondContact O-N 2.8Å; I150-W152 PolarHBondContact O-N 3.19Å; I150-Q153 PolarHBondContact O-N 2.84Å; I150-Q153 VanDerWaalsContact O-N 3.09Å; I150-T161 HydrophobicContact CD1-CG2 4.35Å; I150-T161 HydrophobicContact CG1-CG2 4.36Å; I150-F336 HydrophobicContact CD1-CE1 3.96Å; I150-F336 HydrophobicContact CD1-CZ 4.33Å; I150-F336 HydrophobicContact CG2-CE1 4.15Å; I150-F336 HydrophobicContact CG2-CZ 4.42Å; I150-Y340 HydrophobicContact CG2-CE1 4.48Å; I150-V357 HydrophobicContact CB-CG1 3.94Å; I150-V357 HydrophobicContact CB-CG2 4.25Å; I150-V357 HydrophobicContact CD1-CG1 3.56Å; I150-V357 HydrophobicContact CG1-CG1 4.34Å; I150-V357 HydrophobicContact CG2-CB 4.48Å; I150-V357 HydrophobicContact CG2-CG1 3.81Å; I150-V357 HydrophobicContact CG2-CG2 3.75Å; I150-L361 HydrophobicContact CD1-CD1 4.02Å
151	K	92.2	Very high	93.5	Very high	91 Å²	91	62 Å²	62	40%	0.396	31%	0.306	S	S	.	.	H	α-helix	trans	-65.8	-19.6	177	-75.6	-168.1	70.7	148.3	0	114.1	E80 V147 W148 Q153 V357	E80-K151 HydrophobicContact CB-CD 4.29Å; E80-K151 VanDerWaalsContact OE2-CD 3.31Å; E80-K151 WeakPolarHBondContact OE2-CD 3.25Å; E80-K151 VanDerWaalsContact OE2-CE 3.29Å; E80-K151 WeakPolarHBondContact OE2-CE 3.48Å; E80-K151 IonicContact OE2-NZ 2.7Å; E80-K151 PolarHBondContact OE2-NZ 2.96Å; V147-K151 HydrophobicContact CG1-CD 3.95Å; V147-K151 HydrophobicContact CG1-CG 4.19Å; V147-K151 VanDerWaalsContact O-CB 3.32Å; V147-K151 WeakPolarHBondContact O-CB 3.17Å; V147-K151 VanDerWaalsContact O-CG 3.25Å; V147-K151 WeakPolarHBondContact O-CG 3.38Å; V147-K151 PolarHBondContact O-N 3.12Å; W148-K151 PolarHBondContact O-N 3.07Å; K151-Q153 PolarHBondContact O-N 3.05Å; K151-V357 HydrophobicContact CG-CG2 3.93Å
152	W	90.4	Very high	93.5	Very high	150 Å²	150	58.5 Å²	58.5	57%	0.568	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.7	172.7	-176.3	32.4	0	0	0	112.2	W148 I149 I150 S154 V160	W148-W152 PolarHBondContact O-N 3.4Å; I149-W152 VanDerWaalsContact O-CB 3.26Å; I149-W152 WeakPolarHBondContact O-CB 3.39Å; I149-W152 PolarHBondContact O-N 3.23Å; I150-W152 PolarHBondContact O-N 3.19Å; W152-S154 PolarHBondContact O-N 3.42Å; W152-V160 HydrophobicContact CZ3-CG2 4.4Å
153	Q	85.3	Confident	93.5	Very high	128 Å²	128	60.2 Å²	60.2	60%	0.598	30%	0.295	S	S	*	.			trans	50.6	23.1	172.4	-65.8	-170	17.8	0	0	115.8	I150 K151	I150-Q153 PolarHBondContact O-N 2.84Å; I150-Q153 VanDerWaalsContact O-N 3.09Å; K151-Q153 PolarHBondContact O-N 3.05Å
154	S	88.6	Confident	93.5	Very high	32 Å²	32	61.8 Å²	61.8	22%	0.224	30%	0.3	C	S	.	.			trans	-66	154.6	168.8	171.5	0	0	0	0	111.1	W152 H156 S157	W152-S154 PolarHBondContact O-N 3.42Å; S154-H156 PolarHBondContact O-N 2.84Å; S154-H156 VanDerWaalsContact O-N 3.1Å; S154-H156 PolarHBondContact OG-N 3.36Å; S154-S157 VanDerWaalsContact O-CB 3.24Å; S154-S157 WeakPolarHBondContact O-CB 3.36Å; S154-S157 PolarHBondContact O-N 3.43Å; S154-S157 PolarHBondContact O-OG 3.16Å
155	E	86	Confident	93.5	Very high	187 Å²	187	62.4 Å²	62.4	87%	0.874	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-26.5	168.6	-62.5	-175.8	172.9	0	0	112.5
156	H	90.1	Very high	93.5	Very high	115 Å²	115	61.6 Å²	61.6	53%	0.532	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-1.4	179.5	-54.4	-50.6	0	0	0	114.4	S154 I158 L159 V160	S154-H156 PolarHBondContact O-N 2.84Å; S154-H156 VanDerWaalsContact O-N 3.1Å; S154-H156 PolarHBondContact OG-N 3.36Å; H156-I158 PolarHBondContact O-N 2.8Å; H156-I158 VanDerWaalsContact O-N 3.09Å; H156-L159 PolarHBondContact O-N 3.24Å; H156-L159 VanDerWaalsContact O-N 3.09Å; H156-V160 HydrophobicContact CB-CG2 4.46Å; H156-V160 WeakPolarHBondContact O-CG2 3.21Å; H156-V160 PolarHBondContact O-N 2.78Å
157	S	89.4	Confident	93.5	Very high	15 Å²	15	64.8 Å²	64.8	11%	0.105	31%	0.312	C	S	.	.	H	α-helix	trans	-52.1	-38.1	-173.7	53.2	0	0	0	0	113.3	S154 T161	S154-S157 VanDerWaalsContact O-CB 3.24Å; S154-S157 WeakPolarHBondContact O-CB 3.36Å; S154-S157 PolarHBondContact O-N 3.43Å; S154-S157 PolarHBondContact O-OG 3.16Å; S157-T161 VanDerWaalsContact O-CB 3.29Å; S157-T161 WeakPolarHBondContact O-CB 3.49Å; S157-T161 PolarHBondContact O-N 2.92Å; S157-T161 PolarHBondContact O-OG1 3.39Å
158	I	90.6	Very high	93.5	Very high	35 Å²	35	66.4 Å²	66.4	18%	0.179	32%	0.32	C	S	.	.	H	α-helix	trans	-72.5	-42.6	-179.1	-62.2	-65.5	0	0	0	112.4	H156 V160 T161 G162 L333 F336 A337	H156-I158 PolarHBondContact O-N 2.8Å; H156-I158 VanDerWaalsContact O-N 3.09Å; I158-V160 VanDerWaalsContact C-N 3.33Å; I158-T161 WeakPolarHBondContact O-CB 3.39Å; I158-T161 PolarHBondContact O-N 3.41Å; I158-G162 PolarHBondContact O-N 3.41Å; I158-L333 HydrophobicContact CG2-CB 3.98Å; I158-F336 HydrophobicContact CD1-CD1 4.15Å; I158-A337 HydrophobicContact CB-CB 4.49Å; I158-A337 HydrophobicContact CD1-CB 3.54Å; I158-A337 HydrophobicContact CG1-CB 3.48Å; I158-A337 VanDerWaalsContact CG1-CB 3.48Å; I158-A337 HydrophobicContact CG2-CB 4.4Å
159	L	94.1	Very high	93.5	Very high	104 Å²	104	59.5 Å²	59.5	55%	0.545	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-40.8	175.7	-179	62.7	0	0	0	110.9	H156 G162 T163 F330	H156-L159 PolarHBondContact O-N 3.24Å; H156-L159 VanDerWaalsContact O-N 3.09Å; L159-G162 PolarHBondContact O-N 3.49Å; L159-T163 WeakPolarHBondContact O-CB 3.24Å; L159-T163 PolarHBondContact O-N 3.33Å; L159-T163 PolarHBondContact O-OG1 3.37Å; L159-F330 HydrophobicContact CD1-CE1 3.94Å
160	V	96.4	Very high	93.4	Very high	56 Å²	56	63.1 Å²	63.1	34%	0.339	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-41.3	174.5	177	0	0	0	0	110.6	I149 W152 H156 I158 T163 Y164	I149-V160 HydrophobicContact CD1-CG1 4.39Å; I149-V160 HydrophobicContact CG2-CB 4.11Å; I149-V160 HydrophobicContact CG2-CG1 3.73Å; W152-V160 HydrophobicContact CZ3-CG2 4.4Å; H156-V160 HydrophobicContact CB-CG2 4.46Å; H156-V160 WeakPolarHBondContact O-CG2 3.21Å; H156-V160 PolarHBondContact O-N 2.78Å; I158-V160 VanDerWaalsContact C-N 3.33Å; V160-T163 PolarHBondContact O-N 2.99Å; V160-Y164 WeakPolarHBondContact O-CB 3.42Å; V160-Y164 PolarHBondContact O-N 3.4Å
161	T	95.8	Very high	93.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.6	-47.6	175.8	-62.1	0	0	0	0	111.6	L146 I149 I150 S157 I158 Y164 L165 L333	L146-T161 HydrophobicContact CD1-CG2 3.38Å; I149-T161 WeakPolarHBondContact CG2-OG1 3.35Å; I150-T161 HydrophobicContact CD1-CG2 4.35Å; I150-T161 HydrophobicContact CG1-CG2 4.36Å; S157-T161 VanDerWaalsContact O-CB 3.29Å; S157-T161 WeakPolarHBondContact O-CB 3.49Å; S157-T161 PolarHBondContact O-N 2.92Å; S157-T161 PolarHBondContact O-OG1 3.39Å; I158-T161 WeakPolarHBondContact O-CB 3.39Å; I158-T161 PolarHBondContact O-N 3.41Å; T161-Y164 WeakPolarHBondContact O-CB 3.29Å; T161-Y164 PolarHBondContact O-N 2.95Å; T161-L165 HydrophobicContact CG2-CD1 4.08Å; T161-L165 WeakPolarHBondContact O-CG 3.38Å; T161-L165 PolarHBondContact O-N 3.02Å; T161-L333 HydrophobicContact CG2-CD1 4.05Å; T161-L333 HydrophobicContact CG2-CD2 3.84Å
162	G	96.8	Very high	93.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-51	176.6	0	0	0	0	0	111.1	I158 L159 Y164 L165 S166	I158-G162 PolarHBondContact O-N 3.41Å; L159-G162 PolarHBondContact O-N 3.49Å; G162-Y164 VanDerWaalsContact C-N 3.3Å; G162-Y164 PolarHBondContact O-N 3.4Å; G162-L165 PolarHBondContact O-N 3.36Å; G162-S166 WeakPolarHBondContact O-CB 3.31Å; G162-S166 PolarHBondContact O-N 3.42Å; G162-S166 PolarHBondContact O-OG 2.95Å
163	T	97.1	Very high	93.5	Very high	70 Å²	70	62.5 Å²	62.5	43%	0.429	33%	0.326	S	S	.	.	H	α-helix	trans	-57.8	-42.8	177.5	-54.7	0	0	0	0	112	L159 V160 S166 V167	L159-T163 WeakPolarHBondContact O-CB 3.24Å; L159-T163 PolarHBondContact O-N 3.33Å; L159-T163 PolarHBondContact O-OG1 3.37Å; V160-T163 PolarHBondContact O-N 2.99Å; T163-S166 PolarHBondContact O-N 3.16Å; T163-V167 HydrophobicContact CG2-CG2 4.47Å; T163-V167 WeakPolarHBondContact O-CB 3.19Å; T163-V167 VanDerWaalsContact O-CG2 3.25Å; T163-V167 WeakPolarHBondContact O-CG2 3.41Å; T163-V167 PolarHBondContact O-N 3.24Å
164	Y	97.7	Very high	93.7	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.184	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-51.5	176.2	169.6	-105.1	0	0	0	111.6	I142 A145 L146 I149 V160 T161 G162 S166 V167 I168	I142-Y164 VanDerWaalsContact CA-OH 3.32Å; I142-Y164 WeakPolarHBondContact CA-OH 3.44Å; I142-Y164 HydrophobicContact CG2-CE1 4.38Å; A145-Y164 HydrophobicContact CB-CE1 4.14Å; A145-Y164 HydrophobicContact CB-CE2 4.01Å; A145-Y164 WeakPolarHBondContact CB-OH 3.47Å; L146-Y164 HydrophobicContact CB-CE1 4.49Å; I149-Y164 HydrophobicContact CD1-CD1 3.98Å; I149-Y164 HydrophobicContact CD1-CD2 4.09Å; I149-Y164 HydrophobicContact CD1-CG 3.67Å; V160-Y164 WeakPolarHBondContact O-CB 3.42Å; V160-Y164 PolarHBondContact O-N 3.4Å; T161-Y164 WeakPolarHBondContact O-CB 3.29Å; T161-Y164 PolarHBondContact O-N 2.95Å; G162-Y164 VanDerWaalsContact C-N 3.3Å; G162-Y164 PolarHBondContact O-N 3.4Å; Y164-S166 PolarHBondContact O-N 3.12Å; Y164-V167 PolarHBondContact O-N 2.91Å; Y164-I168 HydrophobicContact CD2-CG1 4.22Å; Y164-I168 HydrophobicContact CE1-CG1 4.27Å; Y164-I168 HydrophobicContact CE2-CD1 4.08Å; Y164-I168 HydrophobicContact CE2-CG1 3.7Å; Y164-I168 WeakPolarHBondContact O-CG1 3.45Å; Y164-I168 PolarHBondContact O-N 3.26Å
165	L	97.5	Very high	93.8	Very high	40 Å²	40	60.4 Å²	60.4	21%	0.209	32%	0.319	C	S	.	.	H	α-helix	trans	-64.7	-38.7	179.5	-69.8	176.9	0	0	0	111.9	I142 L146 T161 G162 I168 G169 L329 L333	I142-L165 HydrophobicContact CG2-CD2 4.36Å; L146-L165 HydrophobicContact CD1-CD1 4.21Å; L146-L165 HydrophobicContact CD1-CD2 4.45Å; L146-L165 HydrophobicContact CD1-CG 4.46Å; T161-L165 HydrophobicContact CG2-CD1 4.08Å; T161-L165 WeakPolarHBondContact O-CG 3.38Å; T161-L165 PolarHBondContact O-N 3.02Å; G162-L165 PolarHBondContact O-N 3.36Å; L165-I168 PolarHBondContact O-N 2.85Å; L165-G169 PolarHBondContact O-N 3.39Å; L165-L329 HydrophobicContact CB-CD1 4.33Å; L165-L329 HydrophobicContact CB-CD2 4Å; L165-L329 HydrophobicContact CD1-CD1 3.95Å; L165-L333 HydrophobicContact CD1-CD1 4.39Å
166	S	97.2	Very high	94.1	Very high	12 Å²	12	57.7 Å²	57.7	8%	0.084	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-51	173.1	-55.5	0	0	0	0	111	G162 T163 Y164 I168 G169 F170 E326	G162-S166 WeakPolarHBondContact O-CB 3.31Å; G162-S166 PolarHBondContact O-N 3.42Å; G162-S166 PolarHBondContact O-OG 2.95Å; T163-S166 PolarHBondContact O-N 3.16Å; Y164-S166 PolarHBondContact O-N 3.12Å; S166-I168 VanDerWaalsContact C-N 3.33Å; S166-I168 PolarHBondContact O-N 3.08Å; S166-G169 PolarHBondContact O-N 3.28Å; S166-G169 VanDerWaalsContact O-N 3.12Å; S166-F170 WeakPolarHBondContact O-CD2 3.43Å; S166-F170 PolarHBondContact O-N 2.94Å; S166-E326 VanDerWaalsContact CB-OE2 3.23Å; S166-E326 WeakPolarHBondContact CB-OE2 3.46Å; S166-E326 PolarHBondContact OG-OE2 3.32Å
167	V	97.2	Very high	94.1	Very high	89 Å²	89	52.9 Å²	52.9	54%	0.539	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-44.9	179.2	169	0	0	0	0	111	T163 Y164 L171	T163-V167 HydrophobicContact CG2-CG2 4.47Å; T163-V167 WeakPolarHBondContact O-CB 3.19Å; T163-V167 VanDerWaalsContact O-CG2 3.25Å; T163-V167 WeakPolarHBondContact O-CG2 3.41Å; T163-V167 PolarHBondContact O-N 3.24Å; Y164-V167 PolarHBondContact O-N 2.91Å; V167-L171 WeakPolarHBondContact O-CB 3.41Å; V167-L171 PolarHBondContact O-N 3.29Å
168	I	96.9	Very high	94	Very high	35 Å²	35	55.9 Å²	55.9	18%	0.179	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-41.6	175.7	-67.8	-62.1	0	0	0	111.4	I142 Y164 L165 S166 L171 L172	I142-I168 HydrophobicContact CD1-CG2 3.59Å; I142-I168 HydrophobicContact CG1-CG2 3.95Å; Y164-I168 HydrophobicContact CD2-CG1 4.22Å; Y164-I168 HydrophobicContact CE1-CG1 4.27Å; Y164-I168 HydrophobicContact CE2-CD1 4.08Å; Y164-I168 HydrophobicContact CE2-CG1 3.7Å; Y164-I168 WeakPolarHBondContact O-CG1 3.45Å; Y164-I168 PolarHBondContact O-N 3.26Å; L165-I168 PolarHBondContact O-N 2.85Å; S166-I168 VanDerWaalsContact C-N 3.33Å; S166-I168 PolarHBondContact O-N 3.08Å; I168-L171 HydrophobicContact CD1-CD2 4.47Å; I168-L171 WeakPolarHBondContact O-CB 3.32Å; I168-L171 PolarHBondContact O-N 3.46Å; I168-L172 HydrophobicContact CG2-CD1 3.94Å; I168-L172 HydrophobicContact CG2-CG 4.3Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 WeakPolarHBondContact O-CG 3.49Å; I168-L172 PolarHBondContact O-N 2.84Å
169	G	95	Very high	94.1	Very high	24 Å²	24	58.3 Å²	58.3	25%	0.247	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-51.2	176.3	0	0	0	0	0	112.3	L165 S166 L171 L172 M173	L165-G169 PolarHBondContact O-N 3.39Å; S166-G169 PolarHBondContact O-N 3.28Å; S166-G169 VanDerWaalsContact O-N 3.12Å; G169-L171 VanDerWaalsContact C-N 3.34Å; G169-L171 PolarHBondContact O-N 3.44Å; G169-L172 PolarHBondContact O-N 2.72Å; G169-M173 WeakPolarHBondContact O-CG 3.4Å; G169-M173 PolarHBondContact O-N 3.14Å
170	F	93.7	Very high	94.1	Very high	89 Å²	89	54.2 Å²	54.2	39%	0.39	29%	0.287	S	S	.	.	H	α-helix	trans	-62.4	-40	175.2	-79.2	-72.5	0	0	0	112.4	S166 M173 T174 I322	S166-F170 WeakPolarHBondContact O-CD2 3.43Å; S166-F170 PolarHBondContact O-N 2.94Å; F170-M173 PolarHBondContact O-N 3.49Å; F170-T174 PolarHBondContact O-N 3.45Å; F170-T174 PolarHBondContact O-OG1 3.3Å; F170-I322 HydrophobicContact CE1-CD1 4.46Å; F170-I322 HydrophobicContact CE1-CG2 3.86Å; F170-I322 HydrophobicContact CZ-CG2 3.51Å
171	L	94.3	Very high	93.9	Very high	84 Å²	84	51.9 Å²	51.9	44%	0.44	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-48.9	175.9	-177.2	66.4	0	0	0	110.9	V167 I168 G169 T174 I175	V167-L171 WeakPolarHBondContact O-CB 3.41Å; V167-L171 PolarHBondContact O-N 3.29Å; I168-L171 HydrophobicContact CD1-CD2 4.47Å; I168-L171 WeakPolarHBondContact O-CB 3.32Å; I168-L171 PolarHBondContact O-N 3.46Å; G169-L171 VanDerWaalsContact C-N 3.34Å; G169-L171 PolarHBondContact O-N 3.44Å; L171-T174 WeakPolarHBondContact O-CB 3.49Å; L171-T174 PolarHBondContact O-N 3.1Å; L171-T174 VanDerWaalsContact O-N 3.1Å; L171-I175 HydrophobicContact CD1-CD1 3.55Å; L171-I175 HydrophobicContact CD1-CG1 4.08Å; L171-I175 HydrophobicContact CD2-CD1 4.3Å; L171-I175 HydrophobicContact CG-CD1 3.68Å; L171-I175 HydrophobicContact CG-CG1 4.34Å; L171-I175 WeakPolarHBondContact O-CB 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.37Å
172	L	94	Very high	93.8	Very high	55 Å²	55	54.6 Å²	54.6	29%	0.288	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-40.9	177.6	-72.4	176	0	0	0	111.8	I138 I142 I168 G169 T174 I175 Y176 I180	I138-L172 HydrophobicContact CG2-CD1 4.25Å; I138-L172 HydrophobicContact CG2-CD2 4.02Å; I142-L172 HydrophobicContact CD1-CD1 4.26Å; I168-L172 HydrophobicContact CG2-CD1 3.94Å; I168-L172 HydrophobicContact CG2-CG 4.3Å; I168-L172 WeakPolarHBondContact O-CB 3.39Å; I168-L172 WeakPolarHBondContact O-CG 3.49Å; I168-L172 PolarHBondContact O-N 2.84Å; G169-L172 PolarHBondContact O-N 2.72Å; L172-T174 PolarHBondContact O-N 3.02Å; L172-I175 PolarHBondContact O-N 3.14Å; L172-Y176 WeakPolarHBondContact O-CA 3.31Å; L172-Y176 WeakPolarHBondContact O-CB 3.37Å; L172-Y176 PolarHBondContact O-N 2.93Å; L172-I180 HydrophobicContact CD2-CD1 4.32Å
173	M	90.3	Very high	93.7	Very high	95 Å²	95	59.2 Å²	59.2	47%	0.468	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-31.6	172.8	-75.4	-173.8	175.1	0	0	112.7	G169 F170 P177 M325	G169-M173 WeakPolarHBondContact O-CG 3.4Å; G169-M173 PolarHBondContact O-N 3.14Å; F170-M173 PolarHBondContact O-N 3.49Å; M173-P177 WeakPolarHBondContact O-CD 3.48Å; M173-M325 HydrophobicContact CE-CE 3.72Å; M173-M325 HydrophobicContact CE-SD 4.06Å
174	T	88.9	Confident	93.6	Very high	58 Å²	58	57.1 Å²	57.1	36%	0.356	30%	0.301	S	S	.	.	H	α-helix	trans	-78.8	-48.2	177.5	-48.1	0	0	0	0	112.1	F170 L171 L172 I232	F170-T174 PolarHBondContact O-N 3.45Å; F170-T174 PolarHBondContact O-OG1 3.3Å; L171-T174 WeakPolarHBondContact O-CB 3.49Å; L171-T174 PolarHBondContact O-N 3.1Å; L171-T174 VanDerWaalsContact O-N 3.1Å; L172-T174 PolarHBondContact O-N 3.02Å; T174-I232 HydrophobicContact CG2-CD1 3.9Å; T174-I232 WeakPolarHBondContact OG1-CD1 3.29Å
175	I	91.6	Very high	93.4	Very high	59 Å²	59	56.6 Å²	56.6	30%	0.303	30%	0.301	S	S	.	.	H	α-helix	trans	-76.7	-34.6	-173.1	-69.9	-176.2	0	0	0	111.1	L171 L172 E178 V179 I180	L171-I175 HydrophobicContact CD1-CD1 3.55Å; L171-I175 HydrophobicContact CD1-CG1 4.08Å; L171-I175 HydrophobicContact CD2-CD1 4.3Å; L171-I175 HydrophobicContact CG-CD1 3.68Å; L171-I175 HydrophobicContact CG-CG1 4.34Å; L171-I175 WeakPolarHBondContact O-CB 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.37Å; L172-I175 PolarHBondContact O-N 3.14Å; I175-E178 PolarHBondContact O-N 3.32Å; I175-E178 VanDerWaalsContact O-N 3.17Å; I175-V179 HydrophobicContact CG2-CB 3.7Å; I175-V179 HydrophobicContact CG2-CG1 4.35Å; I175-V179 HydrophobicContact CG2-CG2 3.89Å; I175-V179 WeakPolarHBondContact O-CB 3.48Å; I175-V179 PolarHBondContact O-N 2.89Å; I175-I180 HydrophobicContact CG2-CD1 4.42Å; I175-I180 HydrophobicContact CG2-CG1 4.35Å
176	Y	92.4	Very high	93.2	Very high	129 Å²	129	60.9 Å²	60.9	51%	0.506	32%	0.318	S	S	.	.	I	π-helix	trans	-55.5	-54.2	-170.2	175.1	-85.9	0	0	0	112.9	L172 E178 I180 A181	L172-Y176 WeakPolarHBondContact O-CA 3.31Å; L172-Y176 WeakPolarHBondContact O-CB 3.37Å; L172-Y176 PolarHBondContact O-N 2.93Å; Y176-E178 VanDerWaalsContact C-N 3.29Å; Y176-E178 PolarHBondContact O-N 3.09Å; Y176-I180 HydrophobicContact CD2-CB 3.91Å; Y176-I180 HydrophobicContact CD2-CD1 4.11Å; Y176-I180 HydrophobicContact CD2-CG2 3.83Å; Y176-I180 HydrophobicContact CE2-CB 4.45Å; Y176-I180 HydrophobicContact CE2-CG2 3.97Å; Y176-I180 HydrophobicContact CG-CB 4.41Å; Y176-I180 PolarHBondContact O-N 3.39Å; Y176-A181 HydrophobicContact CE1-CB 4.17Å; Y176-A181 PolarHBondContact O-N 3.38Å
177	P	89.1	Confident	93	Very high	14 Å²	14	62.7 Å²	62.7	9%	0.091	33%	0.325	C	S	.	.	I	π-helix	trans	-69.8	-23.2	-177.7	-20.9	35.3	0	0	0	114.3	M173 Y230	M173-P177 WeakPolarHBondContact O-CD 3.48Å; P177-Y230 HydrophobicContact CB-CD1 4.27Å; P177-Y230 HydrophobicContact CB-CD2 3.51Å; P177-Y230 HydrophobicContact CB-CE1 4.14Å; P177-Y230 HydrophobicContact CB-CE2 3.35Å; P177-Y230 HydrophobicContact CB-CG 3.95Å; P177-Y230 HydrophobicContact CG-CD2 3.64Å; P177-Y230 HydrophobicContact CG-CE2 4Å; P177-Y230 HydrophobicContact CG-CG 4.01Å
178	E	87.3	Confident	92.8	Very high	78 Å²	78	60.8 Å²	60.8	36%	0.364	31%	0.313	S	S	.	.	I	π-helix	trans	-97.6	-26.9	-174.5	-62.9	-154.5	-157.9	0	0	113.7	I175 Y176 Y230 N235 R237	I175-E178 PolarHBondContact O-N 3.32Å; I175-E178 VanDerWaalsContact O-N 3.17Å; Y176-E178 VanDerWaalsContact C-N 3.29Å; Y176-E178 PolarHBondContact O-N 3.09Å; E178-Y230 HydrophobicContact CG-CE2 4.15Å; E178-N235 PolarHBondContact OE1-ND2 3.01Å; E178-N235 VanDerWaalsContact OE1-ND2 3.15Å; E178-R237 VanDerWaalsContact CD-NH1 3.32Å; E178-R237 IonicContact OE1-CZ 3.5Å; E178-R237 IonicContact OE1-NE 3.9Å; E178-R237 IonicContact OE1-NH1 3.25Å; E178-R237 PolarHBondContact OE1-NH1 3.15Å; E178-R237 IonicContact OE1-NH2 3.45Å; E178-R237 PolarHBondContact OE1-NH2 2.86Å; E178-R237 IonicContact OE2-CZ 2.77Å; E178-R237 IonicContact OE2-NH1 2.75Å; E178-R237 PolarHBondContact OE2-NH1 3.47Å; E178-R237 IonicContact OE2-NH2 2.75Å; E178-R237 PolarHBondContact OE2-NH2 3.06Å
179	V	92.2	Very high	92.7	Very high	87 Å²	87	64.6 Å²	64.6	53%	0.527	33%	0.333	S	S	.	.	I	π-helix	trans	-121.6	-44	-174	-176.6	0	0	0	0	111.9	I175 L183	I175-V179 HydrophobicContact CG2-CB 3.7Å; I175-V179 HydrophobicContact CG2-CG1 4.35Å; I175-V179 HydrophobicContact CG2-CG2 3.89Å; I175-V179 WeakPolarHBondContact O-CB 3.48Å; I175-V179 PolarHBondContact O-N 2.89Å; V179-L183 WeakPolarHBondContact O-CG 3.46Å
180	I	94.4	Very high	92.7	Very high	17 Å²	17	64.2 Å²	64.2	9%	0.087	33%	0.325	C	S	.	.	I	π-helix	trans	-84.1	-52.9	-173.3	-59.5	172.5	0	0	0	110.9	V134 I138 L172 I175 Y176 L183 F184	V134-I180 HydrophobicContact CG1-CG2 4.13Å; I138-I180 HydrophobicContact CD1-CD1 3.57Å; I138-I180 HydrophobicContact CD1-CG1 4.43Å; L172-I180 HydrophobicContact CD2-CD1 4.32Å; I175-I180 HydrophobicContact CG2-CD1 4.42Å; I175-I180 HydrophobicContact CG2-CG1 4.35Å; Y176-I180 HydrophobicContact CD2-CB 3.91Å; Y176-I180 HydrophobicContact CD2-CD1 4.11Å; Y176-I180 HydrophobicContact CD2-CG2 3.83Å; Y176-I180 HydrophobicContact CE2-CB 4.45Å; Y176-I180 HydrophobicContact CE2-CG2 3.97Å; Y176-I180 HydrophobicContact CG-CB 4.41Å; Y176-I180 PolarHBondContact O-N 3.39Å; I180-L183 VanDerWaalsContact O-CB 3.26Å; I180-L183 WeakPolarHBondContact O-CB 3.38Å; I180-L183 WeakPolarHBondContact O-CG 3.44Å; I180-L183 PolarHBondContact O-N 3.04Å; I180-F184 HydrophobicContact CG2-CD2 4.47Å; I180-F184 HydrophobicContact CG2-CE2 3.83Å; I180-F184 VanDerWaalsContact O-CD2 3.24Å; I180-F184 WeakPolarHBondContact O-CD2 3.36Å
181	A	92.9	Very high	92.6	Very high	7 Å²	7	63.3 Å²	63.3	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-57.4	-40.7	-178.3	0	0	0	0	0	113	Y176 L183 F184 D185 F187	Y176-A181 HydrophobicContact CE1-CB 4.17Å; Y176-A181 PolarHBondContact O-N 3.38Å; A181-L183 PolarHBondContact O-N 2.95Å; A181-L183 VanDerWaalsContact O-N 3.13Å; A181-F184 PolarHBondContact O-N 2.92Å; A181-D185 PolarHBondContact O-N 2.94Å; A181-D185 VanDerWaalsContact O-N 3.1Å; A181-F187 HydrophobicContact CB-CE2 3.99Å; A181-F187 HydrophobicContact CB-CZ 3.86Å
182	P	94	Very high	92.5	Very high	57 Å²	57	69.2 Å²	69.2	37%	0.37	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-13	176	-25.5	37.9	0	0	0	115.8	F184 D185 F187	P182-F184 VanDerWaalsContact C-N 3.27Å; P182-D185 WeakPolarHBondContact CA-O 3.32Å; P182-F187 HydrophobicContact CB-CD2 4.15Å; P182-F187 HydrophobicContact CG-CD2 3.96Å; P182-F187 HydrophobicContact CG-CE2 4.19Å
183	L	94.5	Very high	92.4	Very high	98 Å²	98	68.4 Å²	68.4	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-69.5	-30.4	170.4	-58.9	173.8	0	0	0	111.3	M130 V134 V179 I180 A181	M130-L183 HydrophobicContact CE-CB 4.5Å; M130-L183 WeakPolarHBondContact CE-O 3.43Å; V134-L183 HydrophobicContact CG2-CD1 4.15Å; V179-L183 WeakPolarHBondContact O-CG 3.46Å; I180-L183 VanDerWaalsContact O-CB 3.26Å; I180-L183 WeakPolarHBondContact O-CB 3.38Å; I180-L183 WeakPolarHBondContact O-CG 3.44Å; I180-L183 PolarHBondContact O-N 3.04Å; A181-L183 PolarHBondContact O-N 2.95Å; A181-L183 VanDerWaalsContact O-N 3.13Å
184	F	94.3	Very high	92.5	Very high	25 Å²	25	68.9 Å²	68.9	11%	0.11	36%	0.356	C	S	.	.	H	α-helix	trans	-99	-33.4	-172.9	-61.3	-74.4	0	0	0	112.9	M130 K131 V134 I180 A181 P182 R221	M130-F184 HydrophobicContact CB-CE1 4.13Å; M130-F184 HydrophobicContact CE-CB 4.42Å; M130-F184 HydrophobicContact CE-CD1 3.15Å; M130-F184 HydrophobicContact CE-CE1 3.36Å; M130-F184 HydrophobicContact CE-CG 3.92Å; M130-F184 HydrophobicContact CE-CZ 4.31Å; M130-F184 HydrophobicContact CG-CE1 3.86Å; M130-F184 HydrophobicContact CG-CZ 4.39Å; M130-F184 HydrophobicContact SD-CE1 4.44Å; K131-F184 HydrophobicContact CB-CE1 4.19Å; K131-F184 HydrophobicContact CG-CD1 3.91Å; K131-F184 HydrophobicContact CG-CE1 3.35Å; K131-F184 HydrophobicContact CG-CZ 3.89Å; V134-F184 HydrophobicContact CB-CZ 4.23Å; V134-F184 HydrophobicContact CG2-CZ 4.06Å; I180-F184 HydrophobicContact CG2-CD2 4.47Å; I180-F184 HydrophobicContact CG2-CE2 3.83Å; I180-F184 VanDerWaalsContact O-CD2 3.24Å; I180-F184 WeakPolarHBondContact O-CD2 3.36Å; A181-F184 PolarHBondContact O-N 2.92Å; P182-F184 VanDerWaalsContact C-N 3.27Å; F184-R221 PolarHBondContact O-NH2 3Å
185	D	93.5	Very high	92.8	Very high	37 Å²	37	66.8 Å²	66.8	20%	0.198	34%	0.343	C	S	.	.	S	Bend	trans	-137.2	153.7	-172.3	-65.8	-59.5	0	0	0	112.4	A181 P182 F187 V216 R221	A181-D185 PolarHBondContact O-N 2.94Å; A181-D185 VanDerWaalsContact O-N 3.1Å; P182-D185 WeakPolarHBondContact CA-O 3.32Å; D185-F187 HydrophobicContact CB-CE2 3.92Å; D185-F187 HydrophobicContact CB-CZ 4.45Å; D185-F187 VanDerWaalsContact O-CD2 3.28Å; D185-F187 WeakPolarHBondContact O-CD2 3.45Å; D185-V216 HydrophobicContact CB-CG2 3.82Å; D185-R221 IonicContact OD1-CZ 3.61Å; D185-R221 IonicContact OD1-NE 2.68Å; D185-R221 PolarHBondContact OD1-NE 3.17Å; D185-R221 IonicContact OD1-NH2 3.96Å; D185-R221 PolarHBondContact OD1-NH2 3.48Å; D185-R221 IonicContact OD2-CZ 3.88Å; D185-R221 IonicContact OD2-NE 3.68Å; D185-R221 PolarHBondContact OD2-NE 3.38Å; D185-R221 IonicContact OD2-NH2 3.52Å
186	K	93.3	Very high	93	Very high	130 Å²	130	64.7 Å²	64.7	57%	0.565	33%	0.332	S	S	*	.			trans	-87	126.1	178.3	-170.3	-178.4	-179.8	-176.7	0	109.8	T188 E217	K186-T188 HydrophobicContact CD-CG2 4.47Å; K186-T188 HydrophobicContact CG-CG2 4.31Å; K186-E217 HydrophobicContact CB-CB 4.1Å; K186-E217 WeakPolarHBondContact CB-OE2 3.26Å; K186-E217 VanDerWaalsContact CD-OE2 3.29Å; K186-E217 WeakPolarHBondContact CD-OE2 3.28Å; K186-E217 PolarHBondContact O-N 3.45Å
187	F	93.3	Very high	93.2	Very high	50 Å²	50	65.1 Å²	65.1	22%	0.219	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.9	175.9	-68.3	-95.5	0	0	0	109.9	A181 P182 D185 I214 I215 V216 V239	A181-F187 HydrophobicContact CB-CE2 3.99Å; A181-F187 HydrophobicContact CB-CZ 3.86Å; P182-F187 HydrophobicContact CB-CD2 4.15Å; P182-F187 HydrophobicContact CG-CD2 3.96Å; P182-F187 HydrophobicContact CG-CE2 4.19Å; D185-F187 HydrophobicContact CB-CE2 3.92Å; D185-F187 HydrophobicContact CB-CZ 4.45Å; D185-F187 VanDerWaalsContact O-CD2 3.28Å; D185-F187 WeakPolarHBondContact O-CD2 3.45Å; F187-I214 HydrophobicContact CB-CG2 3.73Å; F187-I214 HydrophobicContact CD1-CG2 3.69Å; F187-I214 HydrophobicContact CG-CG2 4.2Å; F187-I215 CarbonylContact C-O 3.58Å; F187-I215 WeakPolarHBondContact CA-O 3.28Å; F187-V216 HydrophobicContact CD1-CB 3.98Å; F187-V216 HydrophobicContact CD1-CG2 4.15Å; F187-V216 HydrophobicContact CE1-CB 3.74Å; F187-V216 HydrophobicContact CE1-CG2 3.68Å; F187-V216 HydrophobicContact CE2-CG2 4.17Å; F187-V216 HydrophobicContact CZ-CB 4.28Å; F187-V216 HydrophobicContact CZ-CG2 3.69Å; F187-V239 HydrophobicContact CE1-CG1 4.2Å
188	T	93.8	Very high	93.5	Very high	49 Å²	49	67 Å²	67	30%	0.301	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155	178.8	55.3	0	0	0	0	110.4	K186 I214 I215	K186-T188 HydrophobicContact CD-CG2 4.47Å; K186-T188 HydrophobicContact CG-CG2 4.31Å; T188-I214 CarbonylContact O-C 3.56Å; T188-I214 VanDerWaalsContact O-CA 3.27Å; T188-I214 WeakPolarHBondContact O-CA 3.26Å; T188-I214 VanDerWaalsContact O-CG2 3.31Å; T188-I214 WeakPolarHBondContact O-CG2 3.48Å; T188-I215 PolarHBondContact N-O 3.36Å; T188-I215 PolarHBondContact O-N 3.21Å
189	L	94.7	Very high	94	Very high	114 Å²	114	63.2 Å²	63.2	60%	0.597	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.3	174.4	-67.7	173.1	0	0	0	110	P191 K212 I214	L189-P191 WeakPolarHBondContact O-CD 3.01Å; L189-K212 HydrophobicContact CD2-CB 4.29Å; L189-K212 HydrophobicContact CD2-CD 4.23Å; L189-K212 HydrophobicContact CD2-CG 4.37Å; L189-I214 HydrophobicContact CD2-CG1 4.39Å
190	L	94.5	Very high	94.2	Very high	16 Å²	16	64.3 Å²	64.3	8%	0.084	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-58	123.2	171.3	178.7	68.7	0	0	0	109	L195 N196 I199 I213 I215 L245	L190-L195 HydrophobicContact CD1-CD2 4.34Å; L190-L195 HydrophobicContact CD2-CG 4.35Å; L190-N196 HydrophobicContact CD2-CB 3.87Å; L190-N196 HydrophobicContact CG-CB 4.3Å; L190-N196 PolarHBondContact O-ND2 3.31Å; L190-N196 VanDerWaalsContact O-ND2 3.11Å; L190-I199 HydrophobicContact CD2-CD1 4.17Å; L190-I213 HydrophobicContact CB-CB 3.95Å; L190-I213 HydrophobicContact CB-CG2 3.78Å; L190-I213 HydrophobicContact CD2-CB 4.12Å; L190-I213 HydrophobicContact CD2-CD1 4.08Å; L190-I213 HydrophobicContact CD2-CG2 3.55Å; L190-I213 HydrophobicContact CG-CG2 4.28Å; L190-I213 PolarHBondContact N-O 3.02Å; L190-I215 HydrophobicContact CB-CD1 4.49Å; L190-I215 HydrophobicContact CB-CG1 4.42Å; L190-I215 HydrophobicContact CD1-CD1 3.63Å; L190-I215 HydrophobicContact CD1-CG1 4.08Å; L190-L245 HydrophobicContact CD1-CD1 4.4Å
191	P	92	Very high	94.3	Very high	70 Å²	70	70.3 Å²	70.3	46%	0.455	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-54.4	155.5	178.8	-28.4	36.8	0	0	0	112.9	L189 G193 N196 Y248	L189-P191 WeakPolarHBondContact O-CD 3.01Å; P191-G193 PolarHBondContact O-N 3.17Å; P191-N196 WeakPolarHBondContact O-CB 3.46Å; P191-N196 PolarHBondContact O-ND2 2.96Å; P191-Y248 HydrophobicContact CG-CE2 4.03Å
192	K	91.6	Very high	94.5	Very high	209 Å²	209	70.5 Å²	70.5	91%	0.909	35%	0.346	S	S	*	.	S	Bend	trans	-67.9	123.7	171.2	-66.6	-178.5	-178.9	177.4	0	108
193	G	91.6	Very high	94.7	Very high	37 Å²	37	67.9 Å²	67.9	38%	0.381	33%	0.329	S	S	.	.	S	Bend	trans	-175.7	-174.2	-176.6	0	0	0	0	0	110.6	P191 N196 R197	P191-G193 PolarHBondContact O-N 3.17Å; G193-N196 PolarHBondContact O-N 3.45Å; G193-R197 PolarHBondContact O-N 2.93Å
194	E	93.4	Very high	94.7	Very high	105 Å²	105	66.7 Å²	66.7	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-57.7	-54.1	-179.1	-179.5	166.7	-153.6	0	0	112.3	N196 R197 E198	E194-N196 VanDerWaalsContact C-N 3.28Å; E194-N196 PolarHBondContact O-N 3.43Å; E194-R197 WeakPolarHBondContact O-CB 3.45Å; E194-R197 PolarHBondContact O-N 3.44Å; E194-E198 HydrophobicContact CG-CG 4.35Å; E194-E198 PolarHBondContact O-N 3.35Å
195	L	94.3	Very high	94.8	Very high	14 Å²	14	73.1 Å²	73.1	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-53.3	-43.1	178.2	-177.9	59.5	0	0	0	113	L190 R197 E198 I199 L245 N299 V302	L190-L195 HydrophobicContact CD1-CD2 4.34Å; L190-L195 HydrophobicContact CD2-CG 4.35Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 3.42Å; L195-E198 PolarHBondContact O-N 3.2Å; L195-I199 HydrophobicContact CD1-CD1 3.8Å; L195-I199 HydrophobicContact CD1-CG1 4.06Å; L195-I199 HydrophobicContact CG-CD1 3.84Å; L195-I199 HydrophobicContact CG-CG1 4.45Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.4Å; L195-I199 PolarHBondContact O-N 3.4Å; L195-L245 HydrophobicContact CD2-CD2 3.74Å; L195-N299 HydrophobicContact CB-CB 4.38Å; L195-N299 HydrophobicContact CD1-CB 4.15Å; L195-V302 HydrophobicContact CD1-CB 4.12Å; L195-V302 HydrophobicContact CD1-CG1 3.94Å; L195-V302 HydrophobicContact CD2-CG1 4.19Å
196	N	95.5	Very high	94.9	Very high	15 Å²	15	71.8 Å²	71.8	8%	0.08	35%	0.35	C	S	.	.	H	α-helix	trans	-61.7	-41.6	178.5	-170	-70.7	0	0	0	112	L190 P191 G193 E194 K200	L190-N196 HydrophobicContact CD2-CB 3.87Å; L190-N196 HydrophobicContact CG-CB 4.3Å; L190-N196 PolarHBondContact O-ND2 3.31Å; L190-N196 VanDerWaalsContact O-ND2 3.11Å; P191-N196 WeakPolarHBondContact O-CB 3.46Å; P191-N196 PolarHBondContact O-ND2 2.96Å; G193-N196 PolarHBondContact O-N 3.45Å; E194-N196 VanDerWaalsContact C-N 3.28Å; E194-N196 PolarHBondContact O-N 3.43Å; N196-K200 WeakPolarHBondContact O-CG 3.34Å; N196-K200 PolarHBondContact O-N 3.47Å; N196-K200 WeakPolarHBondContact OD1-CE 3.45Å; N196-K200 PolarHBondContact OD1-NZ 3.23Å
197	R	96.6	Very high	94.9	Very high	138 Å²	138	69 Å²	69	52%	0.521	35%	0.351	S	S	.	.	H	α-helix	trans	-68	-45.5	177.2	-64	-169	-27.3	-94.6	-16.8	111.3	G193 E194 L195 K200 K201	G193-R197 PolarHBondContact O-N 2.93Å; E194-R197 WeakPolarHBondContact O-CB 3.45Å; E194-R197 PolarHBondContact O-N 3.44Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 3.42Å; R197-K200 WeakPolarHBondContact O-CB 3.41Å; R197-K200 PolarHBondContact O-N 2.77Å; R197-K201 WeakPolarHBondContact O-CB 3.37Å; R197-K201 PolarHBondContact O-N 3.49Å
198	E	96.1	Very high	95	Very high	53 Å²	53	67 Å²	67	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-40.3	-177.6	-64.6	-46.7	123.9	0	0	111.6	E194 L195 K200 K201 L202 L303	E194-E198 HydrophobicContact CG-CG 4.35Å; E194-E198 PolarHBondContact O-N 3.35Å; L195-E198 PolarHBondContact O-N 3.2Å; E198-K200 VanDerWaalsContact C-N 3.34Å; E198-K200 PolarHBondContact O-N 3.36Å; E198-K201 PolarHBondContact O-N 2.75Å; E198-L202 WeakPolarHBondContact O-CB 3.3Å; E198-L202 PolarHBondContact O-N 3.03Å; E198-L303 HydrophobicContact CB-CD1 4.13Å; E198-L303 HydrophobicContact CB-CD2 4.11Å
199	I	96.8	Very high	95	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-43.1	172.9	-70.7	172.6	0	0	0	111.3	L190 L195 L202 S203 L210 I213 I238 L240 L303 V306	L190-I199 HydrophobicContact CD2-CD1 4.17Å; L195-I199 HydrophobicContact CD1-CD1 3.8Å; L195-I199 HydrophobicContact CD1-CG1 4.06Å; L195-I199 HydrophobicContact CG-CD1 3.84Å; L195-I199 HydrophobicContact CG-CG1 4.45Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.4Å; L195-I199 PolarHBondContact O-N 3.4Å; I199-L202 PolarHBondContact O-N 3.37Å; I199-S203 WeakPolarHBondContact O-CB 3.4Å; I199-S203 PolarHBondContact O-N 3.32Å; I199-S203 PolarHBondContact O-OG 2.72Å; I199-L210 HydrophobicContact CG2-CD2 4.17Å; I199-I213 HydrophobicContact CB-CD1 3.89Å; I199-I213 HydrophobicContact CD1-CG2 4.4Å; I199-I213 HydrophobicContact CG2-CD1 3.51Å; I199-I213 HydrophobicContact CG2-CG1 4.04Å; I199-I238 HydrophobicContact CG2-CD1 3.34Å; I199-L240 HydrophobicContact CD1-CD1 3.97Å; I199-L303 HydrophobicContact CG1-CD1 4.11Å; I199-V306 HydrophobicContact CD1-CG2 4.29Å; I199-V306 HydrophobicContact CG1-CG2 4.42Å; I199-V306 HydrophobicContact CG2-CG1 4.38Å
200	K	97.2	Very high	95.1	Very high	110 Å²	110	63.3 Å²	63.3	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.2	-78.7	172.8	175.7	161.4	0	112	N196 R197 E198 S203 A204 L210 I213	N196-K200 WeakPolarHBondContact O-CG 3.34Å; N196-K200 PolarHBondContact O-N 3.47Å; N196-K200 WeakPolarHBondContact OD1-CE 3.45Å; N196-K200 PolarHBondContact OD1-NZ 3.23Å; R197-K200 WeakPolarHBondContact O-CB 3.41Å; R197-K200 PolarHBondContact O-N 2.77Å; E198-K200 VanDerWaalsContact C-N 3.34Å; E198-K200 PolarHBondContact O-N 3.36Å; K200-S203 PolarHBondContact O-N 3.44Å; K200-A204 WeakPolarHBondContact O-CB 3.42Å; K200-A204 PolarHBondContact O-N 3.43Å; K200-L210 HydrophobicContact CG-CD2 4Å; K200-I213 HydrophobicContact CG-CD1 4.36Å
201	K	97.1	Very high	95	Very high	142 Å²	142	69.4 Å²	69.4	62%	0.617	35%	0.349	S	S	*	.	H	α-helix	trans	-62.4	-45.1	177.3	-173.6	-176.4	177.8	-173.6	0	111.2	R197 E198 A204 R205	R197-K201 WeakPolarHBondContact O-CB 3.37Å; R197-K201 PolarHBondContact O-N 3.49Å; E198-K201 PolarHBondContact O-N 2.75Å; K201-A204 PolarHBondContact O-N 2.88Å; K201-R205 PolarHBondContact O-N 3.36Å
202	L	96.7	Very high	95.1	Very high	12 Å²	12	70.3 Å²	70.3	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-46.3	176.1	-173.5	65.9	0	0	0	111.6	E198 I199 A204 R205 V206 L303 V306 L310 L398 L400	E198-L202 WeakPolarHBondContact O-CB 3.3Å; E198-L202 PolarHBondContact O-N 3.03Å; I199-L202 PolarHBondContact O-N 3.37Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.34Å; L202-R205 WeakPolarHBondContact O-CB 3.36Å; L202-R205 PolarHBondContact O-N 2.79Å; L202-V206 PolarHBondContact O-N 3.18Å; L202-L303 HydrophobicContact CB-CD1 3.96Å; L202-L303 HydrophobicContact CD2-CD1 3.57Å; L202-L303 HydrophobicContact CD2-CG 3.94Å; L202-L303 HydrophobicContact CG-CD1 4.36Å; L202-V306 HydrophobicContact CD2-CG1 4.32Å; L202-L310 HydrophobicContact CD2-CD1 3.95Å; L202-L310 HydrophobicContact CG-CD1 3.93Å; L202-L398 HydrophobicContact CD1-CD1 4Å; L202-L400 HydrophobicContact CD1-CD1 4.22Å; L202-L400 HydrophobicContact CD2-CD1 4.09Å
203	S	96.7	Very high	95.3	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-43	177.5	-60.2	0	0	0	0	111.6	I199 K200 V206 A207 Y208	I199-S203 WeakPolarHBondContact O-CB 3.4Å; I199-S203 PolarHBondContact O-N 3.32Å; I199-S203 PolarHBondContact O-OG 2.72Å; K200-S203 PolarHBondContact O-N 3.44Å; S203-V206 WeakPolarHBondContact O-CG2 3.49Å; S203-V206 PolarHBondContact O-N 2.9Å; S203-A207 PolarHBondContact O-N 3.47Å; S203-Y208 PolarHBondContact O-N 2.96Å
204	A	96.2	Very high	95.5	Very high	73 Å²	73	59.5 Å²	59.5	60%	0.603	29%	0.289	S	S	*	.	H	α-helix	trans	-63.3	-42.1	175.8	0	0	0	0	0	112	K200 K201 L202 V206 A207	K200-A204 WeakPolarHBondContact O-CB 3.42Å; K200-A204 PolarHBondContact O-N 3.43Å; K201-A204 PolarHBondContact O-N 2.88Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.34Å; A204-V206 PolarHBondContact O-N 3.38Å; A204-A207 PolarHBondContact O-N 3.12Å
205	R	95.7	Very high	95.6	Very high	160 Å²	160	54.6 Å²	54.6	60%	0.604	27%	0.267	S	S	*	.	H	α-helix	trans	-58.6	-34.1	177.9	-176.6	179.2	173.7	-161.2	-3.4	112.9	K201 L202 L398	K201-R205 PolarHBondContact O-N 3.36Å; L202-R205 WeakPolarHBondContact O-CB 3.36Å; L202-R205 PolarHBondContact O-N 2.79Å; R205-L398 PolarHBondContact NH1-O 3.34Å
206	V	94.9	Very high	95.6	Very high	9 Å²	9	54.1 Å²	54.1	6%	0.055	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	3.9	178.8	-57.8	0	0	0	0	113.8	L202 S203 A204 Y208 L310 K314 F394 L398	L202-V206 PolarHBondContact O-N 3.18Å; S203-V206 WeakPolarHBondContact O-CG2 3.49Å; S203-V206 PolarHBondContact O-N 2.9Å; A204-V206 PolarHBondContact O-N 3.38Å; V206-Y208 VanDerWaalsContact C-N 3.29Å; V206-Y208 PolarHBondContact O-N 3.26Å; V206-L310 HydrophobicContact CG2-CB 4.43Å; V206-L310 HydrophobicContact CG2-CD1 3.97Å; V206-L310 HydrophobicContact CG2-CD2 4.18Å; V206-L310 HydrophobicContact CG2-CG 4.44Å; V206-K314 PolarHBondContact O-NZ 3.05Å; V206-F394 HydrophobicContact CB-CZ 4.44Å; V206-F394 HydrophobicContact CG1-CE1 4.19Å; V206-F394 HydrophobicContact CG1-CZ 3.84Å; V206-L398 HydrophobicContact CG1-CD1 4.12Å; V206-L398 HydrophobicContact CG1-CD2 3.89Å
207	A	94.7	Very high	95.4	Very high	72 Å²	72	56.4 Å²	56.4	60%	0.595	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	34.3	-174	0	0	0	0	0	114	S203 A204 P209 W313	S203-A207 PolarHBondContact O-N 3.47Å; A204-A207 PolarHBondContact O-N 3.12Å; A207-P209 WeakPolarHBondContact O-CD 3.37Å; A207-W313 WeakPolarHBondContact O-CH2 3.38Å
208	Y	95.4	Very high	95.1	Very high	9 Å²	9	50 Å²	50	4%	0.035	25%	0.252	C	S	.	.			trans	-77.7	121.8	172.8	-176	-111.8	0	0	0	110	S203 V206 L210 L229 K236 I238 L310 W313	S203-Y208 PolarHBondContact O-N 2.96Å; V206-Y208 VanDerWaalsContact C-N 3.29Å; V206-Y208 PolarHBondContact O-N 3.26Å; Y208-L210 HydrophobicContact CD1-CB 3.92Å; Y208-L210 HydrophobicContact CD1-CD1 4.44Å; Y208-L210 HydrophobicContact CE1-CB 4.32Å; Y208-L210 HydrophobicContact CE1-CD1 4.09Å; Y208-L210 PolarHBondContact O-N 3.22Å; Y208-L229 HydrophobicContact CE2-CD1 4.32Å; Y208-K236 HydrophobicContact CD1-CB 4.45Å; Y208-K236 HydrophobicContact CD2-CG 4.38Å; Y208-K236 HydrophobicContact CE1-CB 3.71Å; Y208-K236 HydrophobicContact CE2-CB 3.84Å; Y208-K236 HydrophobicContact CE2-CD 4.19Å; Y208-K236 HydrophobicContact CE2-CG 3.81Å; Y208-K236 VanDerWaalsContact CZ-CB 3.4Å; Y208-K236 WeakPolarHBondContact OH-CB 3.42Å; Y208-I238 HydrophobicContact CE1-CD1 4.48Å; Y208-I238 HydrophobicContact CE1-CG1 4.2Å; Y208-L310 HydrophobicContact CD1-CD2 3.64Å; Y208-L310 HydrophobicContact CD2-CD2 3.78Å; Y208-L310 HydrophobicContact CE1-CD2 4.1Å; Y208-L310 HydrophobicContact CE2-CD2 4.19Å; Y208-L310 HydrophobicContact CG-CD2 3.45Å; Y208-L310 VanDerWaalsContact CG-CD2 3.45Å; Y208-W313 AromaticContact CD2-CD2 3.39Å; Y208-W313 HydrophobicContact CD2-CD2 3.39Å; Y208-W313 AromaticContact CD2-CE2 3.64Å; Y208-W313 AromaticContact CD2-CE3 3.52Å; Y208-W313 HydrophobicContact CD2-CE3 3.52Å; Y208-W313 AromaticContact CD2-CG 3.86Å; Y208-W313 HydrophobicContact CD2-CG 3.86Å; Y208-W313 HydrophobicContact CD2-CH2 4.08Å; Y208-W313 AromaticContact CD2-CZ2 3.98Å; Y208-W313 HydrophobicContact CD2-CZ2 3.98Å; Y208-W313 AromaticContact CD2-CZ3 3.86Å; Y208-W313 HydrophobicContact CD2-CZ3 3.86Å; Y208-W313 HydrophobicContact CE2-CB 4.29Å; Y208-W313 AromaticContact CE2-CD1 3.97Å; Y208-W313 AromaticContact CE2-CD2 3.77Å; Y208-W313 HydrophobicContact CE2-CD2 3.77Å; Y208-W313 HydrophobicContact CE2-CE3 4.3Å; Y208-W313 AromaticContact CE2-CG 3.72Å; Y208-W313 HydrophobicContact CE2-CG 3.72Å; Y208-W313 HydrophobicContact CG-CE3 4.36Å; Y208-W313 HydrophobicContact CG-CZ3 4.41Å
209	P	94	Very high	94.9	Very high	46 Å²	46	49 Å²	49	30%	0.299	25%	0.25	S	S	.	.			trans	-77.7	64.6	-176.1	31.3	-33.8	0	0	0	111.6	A207 K211 K236	A207-P209 WeakPolarHBondContact O-CD 3.37Å; P209-K211 PolarHBondContact O-N 2.92Å; P209-K236 HydrophobicContact CG-CB 4.46Å; P209-K236 HydrophobicContact CG-CG 3.72Å; P209-K236 WeakPolarHBondContact O-CB 3.44Å
210	L	95.7	Very high	94.6	Very high	39 Å²	39	53.6 Å²	53.6	20%	0.204	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	122	-177.9	179.3	63.3	0	0	0	111.5	I199 K200 Y208 K212 I213 I238	I199-L210 HydrophobicContact CG2-CD2 4.17Å; K200-L210 HydrophobicContact CG-CD2 4Å; Y208-L210 HydrophobicContact CD1-CB 3.92Å; Y208-L210 HydrophobicContact CD1-CD1 4.44Å; Y208-L210 HydrophobicContact CE1-CB 4.32Å; Y208-L210 HydrophobicContact CE1-CD1 4.09Å; Y208-L210 PolarHBondContact O-N 3.22Å; L210-K212 WeakPolarHBondContact CD1-O 3.47Å; L210-I213 HydrophobicContact CD1-CG1 4.15Å; L210-I213 HydrophobicContact CD2-CD1 4.02Å; L210-I213 HydrophobicContact CD2-CG1 3.83Å; L210-I213 HydrophobicContact CG-CG1 4.41Å; L210-I238 HydrophobicContact CD1-CB 4.37Å; L210-I238 HydrophobicContact CD1-CD1 3.59Å; L210-I238 HydrophobicContact CD1-CG1 3.71Å; L210-I238 HydrophobicContact CD2-CD1 4.08Å; L210-I238 HydrophobicContact CG-CD1 4.45Å
211	K	93.4	Very high	94.3	Very high	143 Å²	143	50 Å²	50	62%	0.622	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	-46.4	176	-166.7	68	177	-175.8	0	113.1	P209 K236	P209-K211 PolarHBondContact O-N 2.92Å; K211-K236 WeakPolarHBondContact CB-O 3.32Å; K211-K236 PolarHBondContact N-O 2.85Å
212	K	93.6	Very high	94	Very high	90 Å²	90	44.5 Å²	44.5	39%	0.391	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147	-176.5	-64	179.5	-179.9	176.6	0	110.9	L189 L210 I214 R237 I238	L189-K212 HydrophobicContact CD2-CB 4.29Å; L189-K212 HydrophobicContact CD2-CD 4.23Å; L189-K212 HydrophobicContact CD2-CG 4.37Å; L210-K212 WeakPolarHBondContact CD1-O 3.47Å; K212-I214 HydrophobicContact CB-CD1 4.37Å; K212-I214 HydrophobicContact CB-CG1 4.16Å; K212-R237 HydrophobicContact CB-CG 4.25Å; K212-R237 WeakPolarHBondContact O-CA 3.46Å; K212-I238 PolarHBondContact O-N 3.23Å; K212-I238 VanDerWaalsContact O-N 3.14Å
213	I	95.9	Very high	93.6	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.9	167.4	-49.2	163.1	0	0	0	106.4	L190 I199 K200 L210 I238 L240	L190-I213 HydrophobicContact CB-CB 3.95Å; L190-I213 HydrophobicContact CB-CG2 3.78Å; L190-I213 HydrophobicContact CD2-CB 4.12Å; L190-I213 HydrophobicContact CD2-CD1 4.08Å; L190-I213 HydrophobicContact CD2-CG2 3.55Å; L190-I213 HydrophobicContact CG-CG2 4.28Å; L190-I213 PolarHBondContact N-O 3.02Å; I199-I213 HydrophobicContact CB-CD1 3.89Å; I199-I213 HydrophobicContact CD1-CG2 4.4Å; I199-I213 HydrophobicContact CG2-CD1 3.51Å; I199-I213 HydrophobicContact CG2-CG1 4.04Å; K200-I213 HydrophobicContact CG-CD1 4.36Å; L210-I213 HydrophobicContact CD1-CG1 4.15Å; L210-I213 HydrophobicContact CD2-CD1 4.02Å; L210-I213 HydrophobicContact CD2-CG1 3.83Å; L210-I213 HydrophobicContact CG-CG1 4.41Å; I213-I238 WeakPolarHBondContact CA-O 3.14Å; I213-I238 HydrophobicContact CG2-CB 4.23Å; I213-I238 HydrophobicContact CG2-CG2 4.27Å; I213-L240 HydrophobicContact CG2-CD1 4.28Å
214	I	95.1	Very high	93.2	Very high	11 Å²	11	47 Å²	47	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.3	-168.9	-56.6	174.5	0	0	0	108.4	F187 T188 L189 K212 I238 V239 L240	F187-I214 HydrophobicContact CB-CG2 3.73Å; F187-I214 HydrophobicContact CD1-CG2 3.69Å; F187-I214 HydrophobicContact CG-CG2 4.2Å; T188-I214 CarbonylContact O-C 3.56Å; T188-I214 VanDerWaalsContact O-CA 3.27Å; T188-I214 WeakPolarHBondContact O-CA 3.26Å; T188-I214 VanDerWaalsContact O-CG2 3.31Å; T188-I214 WeakPolarHBondContact O-CG2 3.48Å; L189-I214 HydrophobicContact CD2-CG1 4.39Å; K212-I214 HydrophobicContact CB-CD1 4.37Å; K212-I214 HydrophobicContact CB-CG1 4.16Å; I214-I238 PolarHBondContact N-O 3.29Å; I214-V239 HydrophobicContact CB-CG2 4.43Å; I214-V239 CarbonylContact O-C 3.29Å; I214-V239 VanDerWaalsContact O-CA 3.32Å; I214-V239 WeakPolarHBondContact O-CA 3.2Å; I214-L240 PolarHBondContact O-N 3.36Å
215	I	95.1	Very high	92.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.2	168.7	-63.9	172.5	0	0	0	108.1	F187 T188 L190 L240 D242 L245 Y248	F187-I215 CarbonylContact C-O 3.58Å; F187-I215 WeakPolarHBondContact CA-O 3.28Å; T188-I215 PolarHBondContact N-O 3.36Å; T188-I215 PolarHBondContact O-N 3.21Å; L190-I215 HydrophobicContact CB-CD1 4.49Å; L190-I215 HydrophobicContact CB-CG1 4.42Å; L190-I215 HydrophobicContact CD1-CD1 3.63Å; L190-I215 HydrophobicContact CD1-CG1 4.08Å; I215-L240 CarbonylContact C-O 3.58Å; I215-L240 VanDerWaalsContact CA-O 3.25Å; I215-L240 WeakPolarHBondContact CA-O 3.36Å; I215-D242 HydrophobicContact CG2-CB 3.84Å; I215-L245 HydrophobicContact CD1-CD1 3.67Å; I215-L245 HydrophobicContact CG1-CD1 4.05Å; I215-Y248 HydrophobicContact CD1-CD2 3.84Å; I215-Y248 HydrophobicContact CD1-CE1 4.3Å; I215-Y248 HydrophobicContact CD1-CE2 3.29Å
216	V	94.7	Very high	92.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.9	169.2	64.2	0	0	0	0	109.9	D185 F187 G218 V239 L240 Y241 D242	D185-V216 HydrophobicContact CB-CG2 3.82Å; F187-V216 HydrophobicContact CD1-CB 3.98Å; F187-V216 HydrophobicContact CD1-CG2 4.15Å; F187-V216 HydrophobicContact CE1-CB 3.74Å; F187-V216 HydrophobicContact CE1-CG2 3.68Å; F187-V216 HydrophobicContact CE2-CG2 4.17Å; F187-V216 HydrophobicContact CZ-CB 4.28Å; F187-V216 HydrophobicContact CZ-CG2 3.69Å; V216-G218 PolarHBondContact O-N 3.34Å; V216-V239 HydrophobicContact CB-CG1 4Å; V216-V239 HydrophobicContact CG1-CG1 3.8Å; V216-L240 PolarHBondContact N-O 3.35Å; V216-Y241 HydrophobicContact CG1-CD1 4.2Å; V216-Y241 HydrophobicContact CG1-CD2 3.51Å; V216-Y241 HydrophobicContact CG1-CE1 4.38Å; V216-Y241 HydrophobicContact CG1-CE2 3.73Å; V216-Y241 HydrophobicContact CG1-CG 3.76Å; V216-D242 PolarHBondContact O-N 3.34Å
217	E	92.5	Very high	92.6	Very high	63 Å²	63	40 Å²	40	29%	0.294	21%	0.211	S	C	.	.			trans	-76.3	68.8	177.3	-167.1	-174.3	159.6	0	0	110.9	K186 S219 K220 D242	K186-E217 HydrophobicContact CB-CB 4.1Å; K186-E217 WeakPolarHBondContact CB-OE2 3.26Å; K186-E217 VanDerWaalsContact CD-OE2 3.29Å; K186-E217 WeakPolarHBondContact CD-OE2 3.28Å; K186-E217 PolarHBondContact O-N 3.45Å; E217-S219 VanDerWaalsContact C-N 3.29Å; E217-K220 HydrophobicContact CG-CB 4.37Å; E217-D242 WeakPolarHBondContact CA-OD2 3.39Å
218	G	90.3	Very high	92.6	Very high	4 Å²	4	39.6 Å²	39.6	4%	0.041	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-71	-25.5	177.9	0	0	0	0	0	112.9	V216 K220 R221 S222 D242	V216-G218 PolarHBondContact O-N 3.34Å; G218-K220 PolarHBondContact O-N 3.35Å; G218-K220 VanDerWaalsContact O-N 3.15Å; G218-R221 WeakPolarHBondContact O-CA 3.31Å; G218-R221 WeakPolarHBondContact O-CB 3.43Å; G218-R221 PolarHBondContact O-N 3.49Å; G218-S222 PolarHBondContact O-N 3.32Å; G218-S222 VanDerWaalsContact O-O 3.05Å; G218-D242 PolarHBondContact N-OD1 2.93Å
219	S	91.8	Very high	92.5	Very high	31 Å²	31	40.3 Å²	40.3	22%	0.217	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-58	-25.9	178.9	65.7	0	0	0	0	114.3	K118 E217 R221 S222 D242	K118-S219 WeakPolarHBondContact CB-O 3.26Å; K118-S219 WeakPolarHBondContact CG-O 3.48Å; E217-S219 VanDerWaalsContact C-N 3.29Å; S219-R221 PolarHBondContact O-N 3.37Å; S219-S222 WeakPolarHBondContact CA-O 3.26Å; S219-D242 WeakPolarHBondContact CB-OD2 3.5Å; S219-D242 PolarHBondContact N-OD1 3.47Å; S219-D242 PolarHBondContact N-OD2 3.26Å; S219-D242 PolarHBondContact OG-OD2 2.93Å
220	K	90	Very high	92.4	Very high	98 Å²	98	39.5 Å²	39.5	43%	0.426	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-63.9	-28.3	172.9	-171.8	177.3	-177.6	-176.5	0	112.5	Q119 F123 E217 G218	Q119-K220 WeakPolarHBondContact CG-O 3.39Å; F123-K220 HydrophobicContact CE2-CD 4.08Å; F123-K220 HydrophobicContact CZ-CD 4.26Å; F123-K220 HydrophobicContact CZ-CG 4.46Å; E217-K220 HydrophobicContact CG-CB 4.37Å; G218-K220 PolarHBondContact O-N 3.35Å; G218-K220 VanDerWaalsContact O-N 3.15Å
221	R	91	Very high	92	Very high	33 Å²	33	38.9 Å²	38.9	13%	0.125	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-50.4	-177.9	-66.7	-177.3	179.2	-80.8	-5.5	112.6	Q119 F123 D127 F184 D185 G218 S219	Q119-R221 HydrophobicContact CG-CB 4.42Å; Q119-R221 WeakPolarHBondContact CG-O 3.48Å; Q119-R221 PolarHBondContact NE2-O 2.86Å; F123-R221 HydrophobicContact CE1-CG 4.19Å; F123-R221 HydrophobicContact CZ-CG 4.48Å; D127-R221 IonicContact OD1-CZ 3.32Å; D127-R221 IonicContact OD1-NH1 3.47Å; D127-R221 PolarHBondContact OD1-NH1 2.9Å; D127-R221 IonicContact OD1-NH2 2.72Å; D127-R221 PolarHBondContact OD1-NH2 3.03Å; D127-R221 IonicContact OD2-CZ 3.45Å; D127-R221 IonicContact OD2-NH1 3.76Å; D127-R221 PolarHBondContact OD2-NH1 3.31Å; D127-R221 IonicContact OD2-NH2 3.62Å; F184-R221 PolarHBondContact O-NH2 3Å; D185-R221 IonicContact OD1-CZ 3.61Å; D185-R221 IonicContact OD1-NE 2.68Å; D185-R221 PolarHBondContact OD1-NE 3.17Å; D185-R221 IonicContact OD1-NH2 3.96Å; D185-R221 PolarHBondContact OD1-NH2 3.48Å; D185-R221 IonicContact OD2-CZ 3.88Å; D185-R221 IonicContact OD2-NE 3.68Å; D185-R221 PolarHBondContact OD2-NE 3.38Å; D185-R221 IonicContact OD2-NH2 3.52Å; G218-R221 WeakPolarHBondContact O-CA 3.31Å; G218-R221 WeakPolarHBondContact O-CB 3.43Å; G218-R221 PolarHBondContact O-N 3.49Å; S219-R221 PolarHBondContact O-N 3.37Å
222	S	90.6	Very high	91.5	Very high	27 Å²	27	35.6 Å²	35.6	19%	0.189	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-159.2	166.4	-175.5	70.3	0	0	0	0	110.5	F116 G218 S219 H224	F116-S222 CarbonylContact O-C 3.59Å; F116-S222 VanDerWaalsContact O-CA 3.24Å; F116-S222 WeakPolarHBondContact O-CA 3.5Å; G218-S222 PolarHBondContact O-N 3.32Å; G218-S222 VanDerWaalsContact O-O 3.05Å; S219-S222 WeakPolarHBondContact CA-O 3.26Å; S222-H224 PolarHBondContact O-N 3.48Å; S222-H224 PolarHBondContact OG-N 3.03Å
223	S	88.2	Confident	90.7	Very high	15 Å²	15	41.3 Å²	41.3	11%	0.105	20%	0.201	C	C	.	.	S	Bend	trans	-83.7	9.4	169.9	55.6	0	0	0	0	114.3	F116	F116-S223 VanDerWaalsContact CD1-OG 3.23Å; F116-S223 WeakPolarHBondContact CD1-OG 3.38Å; F116-S223 PolarHBondContact O-N 3.47Å; F116-S223 VanDerWaalsContact O-N 3.09Å
224	H	88.4	Confident	90.1	Very high	51 Å²	51	47.1 Å²	47.1	24%	0.236	23%	0.232	C	C	.	.			trans	-70.4	143.7	177	-69.5	-61.1	0	0	0	112.3	E111 F116 S222 T243 N415	E111-H224 IonicContact OE2-NE2 2.8Å; F116-H224 AromaticContact CD1-CE1 3.52Å; F116-H224 AromaticContact CD1-ND1 3.95Å; F116-H224 AromaticContact CD1-NE2 3.79Å; F116-H224 AromaticContact CE1-CE1 3.59Å; F116-H224 AromaticContact CE1-ND1 3.92Å; F116-H224 AromaticContact CG-CE1 3.89Å; F116-H224 AromaticContact CG-NE2 3.82Å; F116-H224 AromaticContact CZ-CE1 3.93Å; S222-H224 PolarHBondContact O-N 3.48Å; S222-H224 PolarHBondContact OG-N 3.03Å; H224-T243 WeakPolarHBondContact O-CB 3.47Å; H224-T243 PolarHBondContact O-OG1 3.34Å; H224-N415 VanDerWaalsContact CA-OD1 3.26Å; H224-N415 WeakPolarHBondContact CA-OD1 3.29Å; H224-N415 PolarHBondContact ND1-OD1 2.92Å
225	S	89.8	Confident	89.8	Confident	8 Å²	8	49.3 Å²	49.3	6%	0.056	24%	0.244	C	C	.	.			trans	-114.8	140.9	-176.3	-55	0	0	0	0	111.5	T243 L244 N415	S225-T243 WeakPolarHBondContact CA-OG1 3.48Å; S225-T243 WeakPolarHBondContact OG-CB 3.36Å; S225-T243 PolarHBondContact OG-O 2.92Å; S225-T243 PolarHBondContact OG-OG1 3.01Å; S225-L244 PolarHBondContact OG-N 3.38Å; S225-N415 PolarHBondContact N-OD1 3.38Å; S225-N415 PolarHBondContact O-ND2 3.26Å
226	N	91.2	Very high	89.6	Confident	83 Å²	83	50.7 Å²	50.7	44%	0.444	25%	0.25	S	C	.	.			trans	-155.5	169.3	176.3	-155.7	-4.4	0	0	0	111.5	Y241	N226-Y241 HydrophobicContact CB-CD2 3.79Å; N226-Y241 HydrophobicContact CB-CE2 3.79Å; N226-Y241 HydrophobicContact CB-CG 4.23Å; N226-Y241 WeakPolarHBondContact O-CB 3.45Å; N226-Y241 WeakPolarHBondContact O-CD2 3.47Å; N226-Y241 PolarHBondContact O-N 3.46Å
227	A	94	Very high	89.6	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.1	169	0	0	0	0	0	109	V239 L240 L244 V305	A227-V239 WeakPolarHBondContact CA-O 3.42Å; A227-L240 HydrophobicContact CB-CD2 3.83Å; A227-L244 HydrophobicContact CB-CD2 4.03Å; A227-V305 HydrophobicContact CB-CG1 3.97Å
228	Y	94.2	Very high	89.8	Confident	64 Å²	64	48.6 Å²	48.6	25%	0.251	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	158.8	175.5	64.1	-87.2	0	0	0	112.3	Y230 V239 Y241	Y228-Y230 HydrophobicContact CD2-CD1 4.31Å; Y228-Y230 AromaticContact CE2-CD1 3.85Å; Y228-Y230 HydrophobicContact CE2-CD1 3.85Å; Y228-V239 HydrophobicContact CD1-CB 4.01Å; Y228-V239 HydrophobicContact CD1-CG1 4.32Å; Y228-V239 HydrophobicContact CD2-CB 4.22Å; Y228-V239 HydrophobicContact CD2-CG2 4.28Å; Y228-V239 HydrophobicContact CE1-CB 3.58Å; Y228-V239 HydrophobicContact CE1-CG1 3.54Å; Y228-V239 HydrophobicContact CE1-CG2 4.24Å; Y228-V239 HydrophobicContact CE2-CB 3.83Å; Y228-V239 HydrophobicContact CE2-CG1 4.43Å; Y228-V239 HydrophobicContact CE2-CG2 3.63Å; Y228-V239 HydrophobicContact CG-CB 4.3Å; Y228-V239 VanDerWaalsContact CZ-CB 3.49Å; Y228-V239 PolarHBondContact N-O 3.26Å; Y228-V239 PolarHBondContact O-N 3.28Å; Y228-Y241 HydrophobicContact CD1-CE2 4.16Å; Y228-Y241 AromaticContact CE1-CE2 3.93Å; Y228-Y241 HydrophobicContact CE1-CE2 3.93Å
229	L	94.1	Very high	90	Very high	23 Å²	23	48.4 Å²	48.4	12%	0.12	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.3	174.1	-53.5	-174.7	0	0	0	110.9	Y208 R237 I238 E309 L310 W313	Y208-L229 HydrophobicContact CE2-CD1 4.32Å; L229-R237 WeakPolarHBondContact CA-O 3.3Å; L229-I238 HydrophobicContact CD2-CB 4.02Å; L229-I238 HydrophobicContact CD2-CD1 4.48Å; L229-I238 HydrophobicContact CD2-CG1 3.43Å; L229-I238 VanDerWaalsContact CD2-CG1 3.43Å; L229-I238 HydrophobicContact CD2-CG2 4.13Å; L229-E309 VanDerWaalsContact CD1-C 3.45Å; L229-E309 HydrophobicContact CD1-CB 3.88Å; L229-E309 VanDerWaalsContact CD1-O 3.26Å; L229-E309 WeakPolarHBondContact CD1-O 3.35Å; L229-E309 HydrophobicContact CD2-CB 4.24Å; L229-E309 HydrophobicContact CG-CB 3.81Å; L229-L310 HydrophobicContact CD1-CD2 4.09Å; L229-L310 HydrophobicContact CD1-CG 4.46Å; L229-W313 HydrophobicContact CD1-CB 4.33Å
230	Y	91.2	Very high	90.2	Very high	30 Å²	30	47 Å²	47	12%	0.118	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	173.1	170	78.1	-85.8	0	0	0	112	P177 E178 Y228 R237 V239	P177-Y230 HydrophobicContact CB-CD1 4.27Å; P177-Y230 HydrophobicContact CB-CD2 3.51Å; P177-Y230 HydrophobicContact CB-CE1 4.14Å; P177-Y230 HydrophobicContact CB-CE2 3.35Å; P177-Y230 HydrophobicContact CB-CG 3.95Å; P177-Y230 HydrophobicContact CG-CD2 3.64Å; P177-Y230 HydrophobicContact CG-CE2 4Å; P177-Y230 HydrophobicContact CG-CG 4.01Å; E178-Y230 HydrophobicContact CG-CE2 4.15Å; Y228-Y230 HydrophobicContact CD2-CD1 4.31Å; Y228-Y230 AromaticContact CE2-CD1 3.85Å; Y228-Y230 HydrophobicContact CE2-CD1 3.85Å; Y230-R237 HydrophobicContact CD1-CB 4.06Å; Y230-R237 HydrophobicContact CE1-CB 3.64Å; Y230-R237 HydrophobicContact CE1-CG 4.49Å; Y230-R237 HydrophobicContact CE2-CB 4.31Å; Y230-R237 HydrophobicContact CE2-CG 4.44Å; Y230-R237 PolarHBondContact N-O 2.83Å; Y230-R237 PolarHBondContact O-N 3.15Å; Y230-R237 WeakPolarHBondContact OH-CD 3.46Å; Y230-R237 PolarHBondContact OH-NH1 3.17Å; Y230-V239 HydrophobicContact CD1-CG2 3.65Å; Y230-V239 HydrophobicContact CE1-CG2 3.31Å
231	G	86.4	Confident	90.4	Very high	25 Å²	25	45.5 Å²	45.5	26%	0.258	22%	0.219	S	C	.	.			trans	115.5	162.1	173.3	0	0	0	0	0	113.1	N235 K236	G231-N235 WeakPolarHBondContact CA-O 3.32Å; G231-K236 WeakPolarHBondContact O-CD 3.28Å; G231-K236 PolarHBondContact O-NZ 3.22Å
232	I	82.8	Confident	90.6	Very high	74 Å²	74	44.4 Å²	44.4	38%	0.379	22%	0.216	S	C	.	.	S	Bend	trans	-113.4	134.8	-170.3	-70.8	-172.6	0	0	0	108.4	T174 N234 N235	T174-I232 HydrophobicContact CG2-CD1 3.9Å; T174-I232 WeakPolarHBondContact OG1-CD1 3.29Å; I232-N234 PolarHBondContact O-N 2.79Å; I232-N234 VanDerWaalsContact O-N 3.08Å; I232-N235 PolarHBondContact O-N 2.83Å
233	W	78.6	Confident	90.6	Very high	211 Å²	211	43.2 Å²	43.2	80%	0.799	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	-113.4	177	-65.3	50.6	0	0	0	112.5	K236	W233-K236 VanDerWaalsContact O-CE 3.28Å; W233-K236 WeakPolarHBondContact O-CE 3.41Å; W233-K236 WeakPolarHBondContact O-CG 3.48Å
234	N	83.1	Confident	90.8	Very high	128 Å²	128	42.6 Å²	42.6	68%	0.684	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	0.3	-176.1	-65	-20.9	0	0	0	114.2	I232	I232-N234 PolarHBondContact O-N 2.79Å; I232-N234 VanDerWaalsContact O-N 3.08Å
235	N	87	Confident	90.9	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	19%	0.193	S	C	.	.			trans	-103.1	56.3	176.4	-177.2	27	0	0	0	110.1	E178 G231 I232 R237	E178-N235 PolarHBondContact OE1-ND2 3.01Å; E178-N235 VanDerWaalsContact OE1-ND2 3.15Å; G231-N235 WeakPolarHBondContact CA-O 3.32Å; I232-N235 PolarHBondContact O-N 2.83Å; N235-R237 PolarHBondContact OD1-NE 2.85Å; N235-R237 VanDerWaalsContact OD1-NE 3.16Å; N235-R237 PolarHBondContact OD1-NH2 3.17Å
236	K	92	Very high	90.3	Very high	31 Å²	31	41.6 Å²	41.6	14%	0.135	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143.3	179.5	-62	-58.5	-166	-157.1	0	112.1	Y208 P209 K211 G231 W233	Y208-K236 HydrophobicContact CD1-CB 4.45Å; Y208-K236 HydrophobicContact CD2-CG 4.38Å; Y208-K236 HydrophobicContact CE1-CB 3.71Å; Y208-K236 HydrophobicContact CE2-CB 3.84Å; Y208-K236 HydrophobicContact CE2-CD 4.19Å; Y208-K236 HydrophobicContact CE2-CG 3.81Å; Y208-K236 VanDerWaalsContact CZ-CB 3.4Å; Y208-K236 WeakPolarHBondContact OH-CB 3.42Å; P209-K236 HydrophobicContact CG-CB 4.46Å; P209-K236 HydrophobicContact CG-CG 3.72Å; P209-K236 WeakPolarHBondContact O-CB 3.44Å; K211-K236 WeakPolarHBondContact CB-O 3.32Å; K211-K236 PolarHBondContact N-O 2.85Å; G231-K236 WeakPolarHBondContact O-CD 3.28Å; G231-K236 PolarHBondContact O-NZ 3.22Å; W233-K236 VanDerWaalsContact O-CE 3.28Å; W233-K236 WeakPolarHBondContact O-CE 3.41Å; W233-K236 WeakPolarHBondContact O-CG 3.48Å
237	R	93.9	Very high	89.1	Confident	22 Å²	22	43 Å²	43	8%	0.083	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.7	-174.1	-59.6	178	-177.4	-170.7	11.8	110.7	E178 K212 L229 Y230 N235	E178-R237 VanDerWaalsContact CD-NH1 3.32Å; E178-R237 IonicContact OE1-CZ 3.5Å; E178-R237 IonicContact OE1-NE 3.9Å; E178-R237 IonicContact OE1-NH1 3.25Å; E178-R237 PolarHBondContact OE1-NH1 3.15Å; E178-R237 IonicContact OE1-NH2 3.45Å; E178-R237 PolarHBondContact OE1-NH2 2.86Å; E178-R237 IonicContact OE2-CZ 2.77Å; E178-R237 IonicContact OE2-NH1 2.75Å; E178-R237 PolarHBondContact OE2-NH1 3.47Å; E178-R237 IonicContact OE2-NH2 2.75Å; E178-R237 PolarHBondContact OE2-NH2 3.06Å; K212-R237 HydrophobicContact CB-CG 4.25Å; K212-R237 WeakPolarHBondContact O-CA 3.46Å; L229-R237 WeakPolarHBondContact CA-O 3.3Å; Y230-R237 HydrophobicContact CD1-CB 4.06Å; Y230-R237 HydrophobicContact CE1-CB 3.64Å; Y230-R237 HydrophobicContact CE1-CG 4.49Å; Y230-R237 HydrophobicContact CE2-CB 4.31Å; Y230-R237 HydrophobicContact CE2-CG 4.44Å; Y230-R237 PolarHBondContact N-O 2.83Å; Y230-R237 PolarHBondContact O-N 3.15Å; Y230-R237 WeakPolarHBondContact OH-CD 3.46Å; Y230-R237 PolarHBondContact OH-NH1 3.17Å; N235-R237 PolarHBondContact OD1-NE 2.85Å; N235-R237 VanDerWaalsContact OD1-NE 3.16Å; N235-R237 PolarHBondContact OD1-NH2 3.17Å
238	I	96.4	Very high	87.6	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.4	173.8	-62.7	166.7	0	0	0	107.4	I199 Y208 L210 K212 I213 I214 L229 L240 V306	I199-I238 HydrophobicContact CG2-CD1 3.34Å; Y208-I238 HydrophobicContact CE1-CD1 4.48Å; Y208-I238 HydrophobicContact CE1-CG1 4.2Å; L210-I238 HydrophobicContact CD1-CB 4.37Å; L210-I238 HydrophobicContact CD1-CD1 3.59Å; L210-I238 HydrophobicContact CD1-CG1 3.71Å; L210-I238 HydrophobicContact CD2-CD1 4.08Å; L210-I238 HydrophobicContact CG-CD1 4.45Å; K212-I238 PolarHBondContact O-N 3.23Å; K212-I238 VanDerWaalsContact O-N 3.14Å; I213-I238 WeakPolarHBondContact CA-O 3.14Å; I213-I238 HydrophobicContact CG2-CB 4.23Å; I213-I238 HydrophobicContact CG2-CG2 4.27Å; I214-I238 PolarHBondContact N-O 3.29Å; L229-I238 HydrophobicContact CD2-CB 4.02Å; L229-I238 HydrophobicContact CD2-CD1 4.48Å; L229-I238 HydrophobicContact CD2-CG1 3.43Å; L229-I238 VanDerWaalsContact CD2-CG1 3.43Å; L229-I238 HydrophobicContact CD2-CG2 4.13Å; I238-L240 HydrophobicContact CG2-CD2 3.88Å; I238-L240 HydrophobicContact CG2-CG 4.18Å; I238-V306 HydrophobicContact CD1-CG1 4.06Å; I238-V306 HydrophobicContact CG2-CG2 4.34Å
239	V	95.8	Very high	85.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.1	172.9	-173.3	0	0	0	0	109.8	F187 I214 V216 A227 Y228 Y230	F187-V239 HydrophobicContact CE1-CG1 4.2Å; I214-V239 HydrophobicContact CB-CG2 4.43Å; I214-V239 CarbonylContact O-C 3.29Å; I214-V239 VanDerWaalsContact O-CA 3.32Å; I214-V239 WeakPolarHBondContact O-CA 3.2Å; V216-V239 HydrophobicContact CB-CG1 4Å; V216-V239 HydrophobicContact CG1-CG1 3.8Å; A227-V239 WeakPolarHBondContact CA-O 3.42Å; Y228-V239 HydrophobicContact CD1-CB 4.01Å; Y228-V239 HydrophobicContact CD1-CG1 4.32Å; Y228-V239 HydrophobicContact CD2-CB 4.22Å; Y228-V239 HydrophobicContact CD2-CG2 4.28Å; Y228-V239 HydrophobicContact CE1-CB 3.58Å; Y228-V239 HydrophobicContact CE1-CG1 3.54Å; Y228-V239 HydrophobicContact CE1-CG2 4.24Å; Y228-V239 HydrophobicContact CE2-CB 3.83Å; Y228-V239 HydrophobicContact CE2-CG1 4.43Å; Y228-V239 HydrophobicContact CE2-CG2 3.63Å; Y228-V239 HydrophobicContact CG-CB 4.3Å; Y228-V239 VanDerWaalsContact CZ-CB 3.49Å; Y228-V239 PolarHBondContact N-O 3.26Å; Y228-V239 PolarHBondContact O-N 3.28Å; Y230-V239 HydrophobicContact CD1-CG2 3.65Å; Y230-V239 HydrophobicContact CE1-CG2 3.31Å
240	L	96.2	Very high	83.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.5	176.8	-54.1	177.4	0	0	0	108.6	I199 I213 I214 I215 V216 A227 I238 L244 L245 V302 V306	I199-L240 HydrophobicContact CD1-CD1 3.97Å; I213-L240 HydrophobicContact CG2-CD1 4.28Å; I214-L240 PolarHBondContact O-N 3.36Å; I215-L240 CarbonylContact C-O 3.58Å; I215-L240 VanDerWaalsContact CA-O 3.25Å; I215-L240 WeakPolarHBondContact CA-O 3.36Å; V216-L240 PolarHBondContact N-O 3.35Å; A227-L240 HydrophobicContact CB-CD2 3.83Å; I238-L240 HydrophobicContact CG2-CD2 3.88Å; I238-L240 HydrophobicContact CG2-CG 4.18Å; L240-L244 HydrophobicContact CD2-CD2 4.27Å; L240-L245 HydrophobicContact CD1-CD2 4.3Å; L240-V302 HydrophobicContact CD1-CG1 4.11Å; L240-V302 HydrophobicContact CD2-CG1 4.36Å; L240-V306 HydrophobicContact CD2-CG2 4.03Å
241	Y	94.6	Very high	82	Confident	67 Å²	67	53.3 Å²	53.3	26%	0.263	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	139.1	169.2	-78.6	-125.3	0	0	0	109	V216 N226 Y228 T243 L244	V216-Y241 HydrophobicContact CG1-CD1 4.2Å; V216-Y241 HydrophobicContact CG1-CD2 3.51Å; V216-Y241 HydrophobicContact CG1-CE1 4.38Å; V216-Y241 HydrophobicContact CG1-CE2 3.73Å; V216-Y241 HydrophobicContact CG1-CG 3.76Å; N226-Y241 HydrophobicContact CB-CD2 3.79Å; N226-Y241 HydrophobicContact CB-CE2 3.79Å; N226-Y241 HydrophobicContact CB-CG 4.23Å; N226-Y241 WeakPolarHBondContact O-CB 3.45Å; N226-Y241 WeakPolarHBondContact O-CD2 3.47Å; N226-Y241 PolarHBondContact O-N 3.46Å; Y228-Y241 HydrophobicContact CD1-CE2 4.16Å; Y228-Y241 AromaticContact CE1-CE2 3.93Å; Y228-Y241 HydrophobicContact CE1-CE2 3.93Å; Y241-T243 WeakPolarHBondContact CB-OG1 3.33Å; Y241-T243 PolarHBondContact O-N 2.79Å; Y241-L244 WeakPolarHBondContact O-CB 3.29Å; Y241-L244 PolarHBondContact O-N 3.08Å
242	D	93.2	Very high	80	Confident	11 Å²	11	55.6 Å²	55.6	6%	0.059	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.5	-35	173.3	61.2	-15.5	0	0	0	112.9	I215 V216 E217 G218 S219 L244 L245 Y248	I215-D242 HydrophobicContact CG2-CB 3.84Å; V216-D242 PolarHBondContact O-N 3.34Å; E217-D242 WeakPolarHBondContact CA-OD2 3.39Å; G218-D242 PolarHBondContact N-OD1 2.93Å; S219-D242 WeakPolarHBondContact CB-OD2 3.5Å; S219-D242 PolarHBondContact N-OD1 3.47Å; S219-D242 PolarHBondContact N-OD2 3.26Å; S219-D242 PolarHBondContact OG-OD2 2.93Å; D242-L244 PolarHBondContact O-N 2.8Å; D242-L245 PolarHBondContact O-N 2.78Å; D242-L245 VanDerWaalsContact O-N 3.11Å; D242-Y248 HydrophobicContact CB-CD1 4.41Å
243	T	91.4	Very high	78.1	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.5	-25.5	175.6	50.1	0	0	0	0	113.7	H224 S225 Y241 L245 K249	H224-T243 WeakPolarHBondContact O-CB 3.47Å; H224-T243 PolarHBondContact O-OG1 3.34Å; S225-T243 WeakPolarHBondContact CA-OG1 3.48Å; S225-T243 WeakPolarHBondContact OG-CB 3.36Å; S225-T243 PolarHBondContact OG-O 2.92Å; S225-T243 PolarHBondContact OG-OG1 3.01Å; Y241-T243 WeakPolarHBondContact CB-OG1 3.33Å; Y241-T243 PolarHBondContact O-N 2.79Å; T243-L245 VanDerWaalsContact C-N 3.32Å; T243-K249 PolarHBondContact O-NZ 3.42Å
244	L	91.7	Very high	76.1	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-71.6	-27.1	176.9	-159.4	79.9	0	0	0	112.1	S225 A227 L240 Y241 D242 M297 V302 L411	S225-L244 PolarHBondContact OG-N 3.38Å; A227-L244 HydrophobicContact CB-CD2 4.03Å; L240-L244 HydrophobicContact CD2-CD2 4.27Å; Y241-L244 WeakPolarHBondContact O-CB 3.29Å; Y241-L244 PolarHBondContact O-N 3.08Å; D242-L244 PolarHBondContact O-N 2.8Å; L244-M297 HydrophobicContact CD1-CE 3.17Å; L244-M297 HydrophobicContact CD2-CE 4.01Å; L244-M297 HydrophobicContact CG-CE 3.38Å; L244-M297 PolarHBondContact O-N 3.37Å; L244-V302 HydrophobicContact CD2-CG1 4.32Å; L244-V302 HydrophobicContact CD2-CG2 4.4Å; L244-V302 HydrophobicContact CG-CG2 4.49Å; L244-L411 HydrophobicContact CD1-CD1 4.28Å
245	L	90.7	Very high	73.9	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.042	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-98.6	110.2	-170.3	-56.1	-179.4	0	0	0	110.4	L190 L195 I215 L240 D242 T243 E247 Y248 V302	L190-L245 HydrophobicContact CD1-CD1 4.4Å; L195-L245 HydrophobicContact CD2-CD2 3.74Å; I215-L245 HydrophobicContact CD1-CD1 3.67Å; I215-L245 HydrophobicContact CG1-CD1 4.05Å; L240-L245 HydrophobicContact CD1-CD2 4.3Å; D242-L245 PolarHBondContact O-N 2.78Å; D242-L245 VanDerWaalsContact O-N 3.11Å; T243-L245 VanDerWaalsContact C-N 3.32Å; L245-E247 VanDerWaalsContact C-N 3.34Å; L245-E247 PolarHBondContact O-N 2.91Å; L245-Y248 HydrophobicContact CD1-CD2 4.19Å; L245-Y248 HydrophobicContact CD1-CG 4.48Å; L245-Y248 PolarHBondContact O-N 2.94Å; L245-V302 HydrophobicContact CD2-CG1 4.09Å; L245-V302 HydrophobicContact CD2-CG2 3.81Å
246	A	77.5	Confident	71.7	Confident	30 Å²	30	49.2 Å²	49.2	25%	0.248	26%	0.256	C	S	.	.	H	α-helix	trans	-60.5	-43.5	179.7	0	0	0	0	0	112.2	Y248 K249 T250 M297	A246-Y248 VanDerWaalsContact C-N 3.28Å; A246-Y248 PolarHBondContact O-N 3.14Å; A246-K249 PolarHBondContact O-N 3.26Å; A246-T250 PolarHBondContact O-OG1 3.1Å; A246-M297 WeakPolarHBondContact CB-O 3.31Å; A246-M297 PolarHBondContact N-O 3.33Å
247	E	65.4	Low	69.2	Low	112 Å²	112	54.2 Å²	54.2	52%	0.523	29%	0.285	S	S	.	.	H	α-helix	trans	-65.9	-27.8	-176.7	-65.6	178.2	-168.9	0	0	113.5	L245 K249 T250 N251 N299	L245-E247 VanDerWaalsContact C-N 3.34Å; L245-E247 PolarHBondContact O-N 2.91Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.45Å; E247-T250 PolarHBondContact O-N 3.3Å; E247-N251 PolarHBondContact O-N 3.34Å; E247-N299 PolarHBondContact OE1-ND2 2.97Å
248	Y	64.2	Low	66.7	Low	78 Å²	78	61.4 Å²	61.4	31%	0.306	32%	0.319	S	S	.	.	H	α-helix	trans	-70.4	-34.6	-177.3	-134.4	-100.2	0	0	0	111.7	P191 I215 D242 L245 A246 E252	P191-Y248 HydrophobicContact CG-CE2 4.03Å; I215-Y248 HydrophobicContact CD1-CD2 3.84Å; I215-Y248 HydrophobicContact CD1-CE1 4.3Å; I215-Y248 HydrophobicContact CD1-CE2 3.29Å; D242-Y248 HydrophobicContact CB-CD1 4.41Å; L245-Y248 HydrophobicContact CD1-CD2 4.19Å; L245-Y248 HydrophobicContact CD1-CG 4.48Å; L245-Y248 PolarHBondContact O-N 2.94Å; A246-Y248 VanDerWaalsContact C-N 3.28Å; A246-Y248 PolarHBondContact O-N 3.14Å; Y248-E252 PolarHBondContact O-N 3.27Å
249	K	58.3	Low	63.7	Low	52 Å²	52	69.3 Å²	69.3	23%	0.226	35%	0.353	C	S	.	.	H	α-helix	trans	-67.8	-35	175.6	-70.4	179.5	-178.6	158.2	0	112.4	T243 A246 E247 N253 L295	T243-K249 PolarHBondContact O-NZ 3.42Å; A246-K249 PolarHBondContact O-N 3.26Å; E247-K249 VanDerWaalsContact C-N 3.35Å; E247-K249 PolarHBondContact O-N 3.45Å; K249-N253 PolarHBondContact O-N 3.15Å; K249-N253 PolarHBondContact O-ND2 2.68Å; K249-L295 PolarHBondContact NZ-O 2.86Å
250	T	52.6	Low	60.4	Low	95 Å²	95	73.1 Å²	73.1	58%	0.583	39%	0.392	S	S	*	.	H	α-helix	trans	-68.1	-41.6	-178.4	-46.8	0	0	0	0	111.6	A246 E247 A254	A246-T250 PolarHBondContact O-OG1 3.1Å; E247-T250 PolarHBondContact O-N 3.3Å; T250-A254 PolarHBondContact O-N 2.83Å; T250-A254 VanDerWaalsContact O-N 3.11Å
251	N	50.1	Low	57.2	Low	114 Å²	114	81.1 Å²	81.1	61%	0.61	43%	0.43	S	S	*	.	H	α-helix	trans	-73	-28.6	-179.8	-70.3	-25.9	0	0	0	113.2	E247 S255	E247-N251 PolarHBondContact O-N 3.34Å; N251-S255 PolarHBondContact O-N 3.03Å; N251-S255 PolarHBondContact O-OG 3.48Å
252	E	45.3	Very low	53.9	Low	72 Å²	72	86.9 Å²	86.9	34%	0.336	46%	0.456	S	S	.	.	H	α-helix	trans	-73.7	-37.6	175.6	-153.7	-169	154.5	0	0	112.3	Y248 S255 K256	Y248-E252 PolarHBondContact O-N 3.27Å; E252-S255 PolarHBondContact O-OG 3.5Å; E252-S255 VanDerWaalsContact O-OG 3.1Å; E252-K256 WeakPolarHBondContact O-CG 3.46Å; E252-K256 PolarHBondContact O-N 2.99Å; E252-K256 VanDerWaalsContact O-N 3.14Å; E252-K256 IonicContact OE1-NZ 2.69Å; E252-K256 PolarHBondContact OE1-NZ 2.88Å
253	N	42.9	Very low	50.9	Low	96 Å²	96	92.6 Å²	92.6	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-68.1	-42.5	174.6	-69.2	-21.1	0	0	0	111.4	K249 S255 K256 D257	K249-N253 PolarHBondContact O-N 3.15Å; K249-N253 PolarHBondContact O-ND2 2.68Å; N253-S255 VanDerWaalsContact C-N 3.29Å; N253-S255 PolarHBondContact O-N 2.83Å; N253-K256 PolarHBondContact O-N 3.1Å; N253-D257 VanDerWaalsContact O-CG 3.28Å; N253-D257 PolarHBondContact O-N 3.38Å
254	A	35.1	Very low	47.8	Very low	55 Å²	55	99.9 Å²	99.9	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-60.7	-36.2	176.8	0	0	0	0	0	113.1	T250 E258	T250-A254 PolarHBondContact O-N 2.83Å; T250-A254 VanDerWaalsContact O-N 3.11Å; A254-E258 PolarHBondContact O-N 3.24Å
255	S	37.9	Very low	44.7	Very low	63 Å²	63	102.9 Å²	102.9	44%	0.441	56%	0.562	S	S	.	*	H	α-helix	trans	-80.4	-20.1	178.5	51.4	0	0	0	0	114.4	N251 E252 N253	N251-S255 PolarHBondContact O-N 3.03Å; N251-S255 PolarHBondContact O-OG 3.48Å; E252-S255 PolarHBondContact O-OG 3.5Å; E252-S255 VanDerWaalsContact O-OG 3.1Å; N253-S255 VanDerWaalsContact C-N 3.29Å; N253-S255 PolarHBondContact O-N 2.83Å
256	K	39.8	Very low	41.5	Very low	122 Å²	122	107.6 Å²	107.6	53%	0.53	60%	0.602	S	S	.	*	H	α-helix	trans	-82.9	-34.4	171.4	-78	173.1	173.2	163.6	0	112	E252 N253 E258 K259	E252-K256 WeakPolarHBondContact O-CG 3.46Å; E252-K256 PolarHBondContact O-N 2.99Å; E252-K256 VanDerWaalsContact O-N 3.14Å; E252-K256 IonicContact OE1-NZ 2.69Å; E252-K256 PolarHBondContact OE1-NZ 2.88Å; N253-K256 PolarHBondContact O-N 3.1Å; K256-E258 VanDerWaalsContact C-N 3.28Å; K256-E258 PolarHBondContact O-N 3.25Å; K256-K259 CarbonylContact O-C 3.43Å; K256-K259 PolarHBondContact O-N 3.31Å; K256-K259 VanDerWaalsContact O-N 3.14Å; K256-K259 VanDerWaalsContact O-O 3.06Å
257	D	40.2	Very low	39.1	Very low	137 Å²	137	114 Å²	114	73%	0.733	63%	0.63	S	S	*	*	H	α-helix	trans	-69.1	-25.7	177.7	-67.6	-25.1	0	0	0	112.5	N253	N253-D257 VanDerWaalsContact O-CG 3.28Å; N253-D257 PolarHBondContact O-N 3.38Å
258	E	40.4	Very low	37.2	Very low	173 Å²	173	113.9 Å²	113.9	81%	0.808	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-17.7	172.4	-74	-173.7	168.2	0	0	114	A254 K256	A254-E258 PolarHBondContact O-N 3.24Å; K256-E258 VanDerWaalsContact C-N 3.28Å; K256-E258 PolarHBondContact O-N 3.25Å
259	K	34.5	Very low	35.4	Very low	168 Å²	168	117.6 Å²	117.6	73%	0.73	66%	0.66	S	S	*	*	S	Bend	trans	-107.6	82.3	174.4	-71.8	-175.4	-179.3	-180	0	108.6	K256 E261	K256-K259 CarbonylContact O-C 3.43Å; K256-K259 PolarHBondContact O-N 3.31Å; K256-K259 VanDerWaalsContact O-N 3.14Å; K256-K259 VanDerWaalsContact O-O 3.06Å; K259-E261 VanDerWaalsContact C-N 3.31Å; K259-E261 PolarHBondContact O-N 3.02Å
260	G	25.9	Very low	33.9	Very low	79 Å²	79	124.6 Å²	124.6	81%	0.814	69%	0.69	S	S	*	*			trans	-52.9	88.6	178.2	0	0	0	0	0	113.1
261	E	29.9	Very low	32.7	Very low	169 Å²	169	128.8 Å²	128.8	79%	0.79	70%	0.7	S	S	*	*			trans	-99.6	95.5	175.5	-158	164.2	-157.7	0	0	108.1	K259 T263	K259-E261 VanDerWaalsContact C-N 3.31Å; K259-E261 PolarHBondContact O-N 3.02Å; E261-T263 PolarHBondContact O-N 3.43Å; E261-T263 VanDerWaalsContact O-N 3.15Å
262	K	24.7	Very low	31.6	Very low	187 Å²	187	129.6 Å²	129.6	81%	0.813	71%	0.71	S	S	*	*			trans	-57.3	112.5	165.2	-71.2	180	176.1	-178.8	0	108.3
263	T	30.5	Very low	30.8	Very low	131 Å²	131	134.2 Å²	134.2	80%	0.804	73%	0.731	S	S	*	*			trans	-112.1	83.5	160.8	39.4	0	0	0	0	108.8	E261	E261-T263 PolarHBondContact O-N 3.43Å; E261-T263 VanDerWaalsContact O-N 3.15Å
264	D	25.4	Very low	30.1	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	74%	0.742	S	S	*	*			trans	-64.6	130.5	155.6	-71.6	-40.7	0	0	0	108.4
265	G	26.5	Very low	29.9	Very low	64 Å²	64	139.9 Å²	139.9	66%	0.66	76%	0.76	S	S	*	*			trans	156.3	59.6	174.5	0	0	0	0	0	114.4	I267	G265-I267 PolarHBondContact O-N 2.94Å
266	A	25.2	Very low	29.6	Very low	108 Å²	108	143.9 Å²	143.9	89%	0.893	77%	0.774	S	S	*	*			trans	-62	99.9	158.8	0	0	0	0	0	108.6	S268	A266-S268 PolarHBondContact O-N 3.32Å
267	I	27	Very low	29.5	Very low	163 Å²	163	143.6 Å²	143.6	84%	0.836	78%	0.777	S	S	*	*			trans	-89	104	167.9	-62.9	178.2	0	0	0	107.7	G265	G265-I267 PolarHBondContact O-N 2.94Å
268	S	24.5	Very low	29.2	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	78%	0.783	S	S	*	*			trans	-64.2	142.4	167.6	179.2	0	0	0	0	111.3	A266	A266-S268 PolarHBondContact O-N 3.32Å
269	F	27.1	Very low	29.2	Very low	157 Å²	157	142.8 Å²	142.8	69%	0.689	78%	0.779	S	S	*	*			trans	-43.5	139.9	-179.4	-112.8	-108.1	0	0	0	115.1	K271	F269-K271 HydrophobicContact CD1-CG 4.17Å; F269-K271 HydrophobicContact CE1-CG 4.3Å
270	K	25.7	Very low	29.4	Very low	199 Å²	199	139.2 Å²	139.2	87%	0.865	77%	0.767	S	S	*	*			trans	-118	113.7	137	-103.2	-177.9	178.2	-179.8	0	108.5	T272	K270-T272 PolarHBondContact O-N 2.99Å
271	K	27.3	Very low	30.2	Very low	182 Å²	182	140.5 Å²	140.5	79%	0.791	76%	0.759	S	S	*	*			trans	-54.1	100	166	-105.4	175.5	171.5	179.1	0	107.9	F269	F269-K271 HydrophobicContact CD1-CG 4.17Å; F269-K271 HydrophobicContact CE1-CG 4.3Å
272	T	28.2	Very low	30.5	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	76%	0.76	S	S	*	*			trans	-88.3	112.2	161.9	-40	0	0	0	0	106.4	K270 C274	K270-T272 PolarHBondContact O-N 2.99Å; T272-C274 PolarHBondContact O-N 3.39Å
273	H	27.1	Very low	31.3	Very low	168 Å²	168	136.3 Å²	136.3	78%	0.778	75%	0.745	S	S	*	*			trans	-51.7	96.4	171.5	-103.4	-92.3	0	0	0	109.6	L275	H273-L275 PolarHBondContact O-N 3.46Å
274	C	30.1	Very low	31.7	Very low	110 Å²	110	137.7 Å²	137.7	74%	0.743	74%	0.743	S	S	*	*			trans	-87.4	101.8	160.5	-164.3	0	0	0	0	106.5	T272 M276	T272-C274 PolarHBondContact O-N 3.39Å; C274-M276 PolarHBondContact O-N 3.16Å
275	L	30.6	Very low	32.2	Very low	160 Å²	160	140.3 Å²	140.3	84%	0.838	75%	0.747	S	S	*	*			trans	-69.7	69.2	171.9	-89	156.1	0	0	0	109.5	H273	H273-L275 PolarHBondContact O-N 3.46Å
276	M	30.1	Very low	33	Very low	148 Å²	148	144.4 Å²	144.4	73%	0.729	75%	0.748	S	S	*	*	S	Bend	trans	-155.1	120.4	157.6	-82.8	-148.9	-92.3	0	0	110	C274	C274-M276 PolarHBondContact O-N 3.16Å
277	L	38	Very low	34	Very low	115 Å²	115	144.7 Å²	144.7	60%	0.602	73%	0.73	S	S	*	*			trans	67.7	93.4	177.5	-78.5	121.9	0	0	0	118.2	F279	L277-F279 PolarHBondContact O-N 2.99Å
278	P	34	Very low	34.4	Very low	132 Å²	132	145.4 Å²	145.4	86%	0.857	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	5.2	171.2	-19.4	32	0	0	0	116.5
279	F	39.9	Very low	34.8	Very low	162 Å²	162	143.7 Å²	143.7	71%	0.711	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	-4.2	-171	-167.1	-102.9	0	0	0	114.6	L277	L277-F279 PolarHBondContact O-N 2.99Å
280	L	39.3	Very low	35.3	Very low	92 Å²	92	142.3 Å²	142.3	48%	0.482	73%	0.731	S	S	.	*	S	Bend	trans	-104.5	2	-170	-70	174.9	0	0	0	115.6
281	V	42.8	Very low	35.9	Very low	106 Å²	106	142.9 Å²	142.9	64%	0.642	73%	0.733	S	S	*	*	S	Bend	trans	-88.9	-18.6	-167.9	179	0	0	0	0	114.3	F283	V281-F283 PolarHBondContact O-N 3.36Å
282	D	36.9	Very low	37	Very low	153 Å²	153	143.7 Å²	143.7	82%	0.818	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	1.2	-163.8	-72.3	-31	0	0	0	117.4
283	F	40.2	Very low	38.5	Very low	115 Å²	115	143.3 Å²	143.3	50%	0.504	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.2	0.3	-170.9	-125.1	-86.4	0	0	0	116.3	V281 K285 F287	V281-F283 PolarHBondContact O-N 3.36Å; F283-K285 PolarHBondContact O-N 3.02Å; F283-K285 VanDerWaalsContact O-N 3.08Å; F283-F287 HydrophobicContact CD1-CE2 4.4Å; F283-F287 HydrophobicContact CE1-CE2 4.5Å
284	Q	39.4	Very low	40.1	Very low	161 Å²	161	139.6 Å²	139.6	75%	0.752	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-1.6	-167.6	-152.6	172.3	-15.2	0	0	114.9
285	K	36	Very low	42.3	Very low	210 Å²	210	137.4 Å²	137.4	91%	0.913	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-6.8	-171.6	-85.2	-176.5	175.3	178.9	0	116.8	F283	F283-K285 PolarHBondContact O-N 3.02Å; F283-K285 VanDerWaalsContact O-N 3.08Å
286	E	43	Very low	44.9	Very low	149 Å²	149	130 Å²	130	70%	0.696	67%	0.665	S	S	*	*	S	Bend	trans	-106.1	-1	-167.7	-81.1	-175.1	160.4	0	0	117.8
287	F	47.5	Very low	47.8	Very low	114 Å²	114	123.2 Å²	123.2	50%	0.5	63%	0.632	S	S	.	*			trans	-113.2	4.6	-166	-76.7	-73.8	0	0	0	118.3	F283 G289	F283-F287 HydrophobicContact CD1-CE2 4.4Å; F283-F287 HydrophobicContact CE1-CE2 4.5Å; F287-G289 PolarHBondContact O-N 3.27Å; F287-G289 VanDerWaalsContact O-N 3.15Å
288	N	34.5	Very low	50.3	Low	179 Å²	179	119.6 Å²	119.6	96%	0.957	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	32.6	-172	-88	-3.4	0	0	0	116.8
289	G	32.7	Very low	53.2	Low	74 Å²	74	114.2 Å²	114.2	76%	0.763	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	-4.7	-166.5	0	0	0	0	0	121.2	F287	F287-G289 PolarHBondContact O-N 3.27Å; F287-G289 VanDerWaalsContact O-N 3.15Å
290	E	38	Very low	55.8	Low	127 Å²	127	111.1 Å²	111.1	59%	0.593	57%	0.568	S	S	*	*			trans	-113.7	135.8	-167.8	-88.7	-179.6	165.6	0	0	116.7	K25 K292	K25-E290 IonicContact NZ-OE1 3.36Å; K25-E290 PolarHBondContact NZ-OE1 3.33Å; K25-E290 IonicContact NZ-OE2 3.35Å; K25-E290 PolarHBondContact NZ-OE2 3.48Å; E290-K292 PolarHBondContact O-N 3.04Å
291	K	38.9	Very low	58.5	Low	211 Å²	211	107.2 Å²	107.2	92%	0.917	55%	0.547	S	S	*	.			trans	-57.9	115.9	164.6	-76	-176.3	176.8	-179.5	0	109.2	K293	K291-K293 PolarHBondContact O-N 3.47Å
292	K	50.6	Low	61	Low	200 Å²	200	102.2 Å²	102.2	87%	0.87	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.1	116.3	178.9	-71.1	175.2	175.9	172.1	0	110.3	E290	E290-K292 PolarHBondContact O-N 3.04Å
293	K	57.8	Low	63.8	Low	124 Å²	124	96 Å²	96	54%	0.539	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-54.4	138.8	163.9	-73.3	-179.9	-169.9	167.1	0	108	D23 E26 K291 L295	D23-K293 IonicContact OD2-NZ 2.75Å; D23-K293 PolarHBondContact OD2-NZ 2.98Å; E26-K293 IonicContact OE1-NZ 2.61Å; E26-K293 PolarHBondContact OE1-NZ 3.31Å; K291-K293 PolarHBondContact O-N 3.47Å; K293-L295 PolarHBondContact O-N 3.21Å; K293-L295 VanDerWaalsContact O-N 3.14Å
294	A	61.2	Low	66.6	Low	89 Å²	89	90.5 Å²	90.5	74%	0.736	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-62.6	116.5	179	0	0	0	0	0	109.9
295	L	76.7	Confident	69.3	Low	65 Å²	65	83.5 Å²	83.5	34%	0.34	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-77.7	146.1	174.4	-73.3	164.9	0	0	0	110.1	K249 K293 D414	K249-L295 PolarHBondContact NZ-O 2.86Å; K293-L295 PolarHBondContact O-N 3.21Å; K293-L295 VanDerWaalsContact O-N 3.14Å; L295-D414 HydrophobicContact CD2-CB 3.88Å
296	G	84.8	Confident	72.2	Confident	5 Å²	5	73.6 Å²	73.6	5%	0.052	38%	0.384	C	S	.	.	S	Bend	trans	113.9	172.6	180	0	0	0	0	0	113.6	D414	G296-D414 PolarHBondContact N-OD2 3.43Å
297	M	90.8	Very high	74.8	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.025	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-111	158	-175.1	-75.7	-172.5	-61.5	0	0	112.4	L244 A246 E301 V302 V305 A407 K410	L244-M297 HydrophobicContact CD1-CE 3.17Å; L244-M297 HydrophobicContact CD2-CE 4.01Å; L244-M297 HydrophobicContact CG-CE 3.38Å; L244-M297 PolarHBondContact O-N 3.37Å; A246-M297 WeakPolarHBondContact CB-O 3.31Å; A246-M297 PolarHBondContact N-O 3.33Å; M297-E301 WeakPolarHBondContact CA-OE2 3.25Å; M297-E301 HydrophobicContact CB-CB 3.75Å; M297-E301 HydrophobicContact CG-CB 4.07Å; M297-E301 HydrophobicContact SD-CB 3.98Å; M297-V302 HydrophobicContact CB-CG2 3.87Å; M297-V302 HydrophobicContact CE-CG2 4.37Å; M297-V305 HydrophobicContact CE-CG2 3.86Å; M297-V305 HydrophobicContact SD-CG2 4.26Å; M297-A407 HydrophobicContact SD-CB 3.61Å; M297-K410 HydrophobicContact CG-CB 4.18Å; M297-K410 HydrophobicContact CG-CD 4.28Å
298	S	92.4	Very high	77.2	Confident	38 Å²	38	61.4 Å²	61.4	27%	0.266	33%	0.329	S	S	.	.			trans	-72.5	167.2	169.9	81.6	0	0	0	0	111.1	E300 E301 V302	S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 VanDerWaalsContact CB-OE2 3.29Å; S298-E300 WeakPolarHBondContact CB-OE2 3.36Å; S298-E300 PolarHBondContact O-N 2.91Å; S298-E300 PolarHBondContact OG-OE2 2.68Å; S298-E301 PolarHBondContact N-OE2 2.86Å; S298-E301 PolarHBondContact O-N 2.83Å; S298-E301 PolarHBondContact OG-N 3.48Å; S298-V302 WeakPolarHBondContact O-CG2 3.41Å; S298-V302 PolarHBondContact O-N 3.1Å
299	N	93.9	Very high	80.2	Confident	20 Å²	20	54.8 Å²	54.8	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-36.1	-179.8	-69.3	-26.3	0	0	0	112.3	L195 E247 L303	L195-N299 HydrophobicContact CB-CB 4.38Å; L195-N299 HydrophobicContact CD1-CB 4.15Å; E247-N299 PolarHBondContact OE1-ND2 2.97Å; N299-L303 VanDerWaalsContact O-CB 3.27Å; N299-L303 WeakPolarHBondContact O-CB 3.48Å; N299-L303 PolarHBondContact O-N 2.86Å
300	E	94.1	Very high	83.3	Confident	96 Å²	96	51.2 Å²	51.2	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-37.3	178	-54.7	75.2	-163.1	0	0	112.4	S298 L303 A304	S298-E300 VanDerWaalsContact C-N 3.26Å; S298-E300 VanDerWaalsContact CB-OE2 3.29Å; S298-E300 WeakPolarHBondContact CB-OE2 3.36Å; S298-E300 PolarHBondContact O-N 2.91Å; S298-E300 PolarHBondContact OG-OE2 2.68Å; E300-L303 WeakPolarHBondContact O-CB 3.42Å; E300-L303 PolarHBondContact O-N 3.08Å; E300-A304 PolarHBondContact O-N 3.04Å
301	E	95.6	Very high	86.1	Confident	10 Å²	10	45.2 Å²	45.2	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-70.1	-43	176.4	-72.5	169.7	156.7	0	0	111.3	M297 S298 L303 A304 V305 S406 A407 K410	M297-E301 WeakPolarHBondContact CA-OE2 3.25Å; M297-E301 HydrophobicContact CB-CB 3.75Å; M297-E301 HydrophobicContact CG-CB 4.07Å; M297-E301 HydrophobicContact SD-CB 3.98Å; S298-E301 PolarHBondContact N-OE2 2.86Å; S298-E301 PolarHBondContact O-N 2.83Å; S298-E301 PolarHBondContact OG-N 3.48Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.02Å; E301-A304 WeakPolarHBondContact O-CB 3.27Å; E301-A304 PolarHBondContact O-N 3.47Å; E301-A304 VanDerWaalsContact O-N 3.16Å; E301-V305 PolarHBondContact O-N 2.93Å; E301-S406 WeakPolarHBondContact OE1-CB 3.3Å; E301-S406 PolarHBondContact OE1-OG 3.11Å; E301-A407 HydrophobicContact CB-CB 4.05Å; E301-A407 HydrophobicContact CG-CB 4.43Å; E301-K410 VanDerWaalsContact OE1-CD 3.3Å; E301-K410 WeakPolarHBondContact OE1-CD 3.48Å; E301-K410 WeakPolarHBondContact OE1-CE 3.41Å; E301-K410 IonicContact OE1-NZ 3.49Å; E301-K410 PolarHBondContact OE1-NZ 3.19Å; E301-K410 VanDerWaalsContact OE2-CD 3.29Å; E301-K410 WeakPolarHBondContact OE2-CD 3.23Å; E301-K410 WeakPolarHBondContact OE2-CE 3.41Å; E301-K410 IonicContact OE2-NZ 2.85Å; E301-K410 PolarHBondContact OE2-NZ 2.86Å
302	V	96.1	Very high	88.9	Confident	1 Å²	1	36 Å²	36	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-41.1	171.8	176.2	0	0	0	0	110.1	L195 L240 L244 L245 M297 S298 A304 V305 V306	L195-V302 HydrophobicContact CD1-CB 4.12Å; L195-V302 HydrophobicContact CD1-CG1 3.94Å; L195-V302 HydrophobicContact CD2-CG1 4.19Å; L240-V302 HydrophobicContact CD1-CG1 4.11Å; L240-V302 HydrophobicContact CD2-CG1 4.36Å; L244-V302 HydrophobicContact CD2-CG1 4.32Å; L244-V302 HydrophobicContact CD2-CG2 4.4Å; L244-V302 HydrophobicContact CG-CG2 4.49Å; L245-V302 HydrophobicContact CD2-CG1 4.09Å; L245-V302 HydrophobicContact CD2-CG2 3.81Å; M297-V302 HydrophobicContact CB-CG2 3.87Å; M297-V302 HydrophobicContact CE-CG2 4.37Å; S298-V302 WeakPolarHBondContact O-CG2 3.41Å; S298-V302 PolarHBondContact O-N 3.1Å; V302-A304 VanDerWaalsContact C-N 3.3Å; V302-A304 PolarHBondContact O-N 3.36Å; V302-V305 PolarHBondContact O-N 3.49Å; V302-V306 HydrophobicContact CG1-CG2 4.5Å; V302-V306 WeakPolarHBondContact O-CG2 3.42Å; V302-V306 PolarHBondContact O-N 3.33Å
303	L	96.8	Very high	91	Very high	22 Å²	22	29.8 Å²	29.8	12%	0.115	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-37.5	176.2	-169.2	67.4	0	0	0	112	E198 I199 L202 N299 E300 E301 V306 G307 L400	E198-L303 HydrophobicContact CB-CD1 4.13Å; E198-L303 HydrophobicContact CB-CD2 4.11Å; I199-L303 HydrophobicContact CG1-CD1 4.11Å; L202-L303 HydrophobicContact CB-CD1 3.96Å; L202-L303 HydrophobicContact CD2-CD1 3.57Å; L202-L303 HydrophobicContact CD2-CG 3.94Å; L202-L303 HydrophobicContact CG-CD1 4.36Å; N299-L303 VanDerWaalsContact O-CB 3.27Å; N299-L303 WeakPolarHBondContact O-CB 3.48Å; N299-L303 PolarHBondContact O-N 2.86Å; E300-L303 WeakPolarHBondContact O-CB 3.42Å; E300-L303 PolarHBondContact O-N 3.08Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 3.02Å; L303-V306 PolarHBondContact O-N 3.36Å; L303-G307 PolarHBondContact O-N 2.83Å; L303-L400 HydrophobicContact CD2-CD2 4.13Å; L303-L400 HydrophobicContact CG-CD1 4.34Å; L303-L400 HydrophobicContact CG-CD2 4.38Å
304	A	97.3	Very high	92.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-42.3	174.9	0	0	0	0	0	112.6	E300 E301 V302 G307 H308 S395 L400 C403 M404	E300-A304 PolarHBondContact O-N 3.04Å; E301-A304 WeakPolarHBondContact O-CB 3.27Å; E301-A304 PolarHBondContact O-N 3.47Å; E301-A304 VanDerWaalsContact O-N 3.16Å; V302-A304 VanDerWaalsContact C-N 3.3Å; V302-A304 PolarHBondContact O-N 3.36Å; A304-G307 WeakPolarHBondContact O-CA 3.32Å; A304-G307 PolarHBondContact O-N 3.35Å; A304-G307 VanDerWaalsContact O-N 3.15Å; A304-H308 PolarHBondContact O-N 2.99Å; A304-S395 PolarHBondContact O-OG 2.91Å; A304-L400 HydrophobicContact CB-CB 4.05Å; A304-C403 HydrophobicContact CB-CB 3.78Å; A304-M404 HydrophobicContact CB-CB 4.08Å; A304-M404 HydrophobicContact CB-SD 4.08Å; A304-M404 VanDerWaalsContact O-SD 3.38Å
305	V	97.2	Very high	94.5	Very high	14 Å²	14	27 Å²	27	9%	0.085	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-44.8	173.2	176.9	0	0	0	0	110.7	A227 M297 E301 V302 G307 H308 E309 M404 A407	A227-V305 HydrophobicContact CB-CG1 3.97Å; M297-V305 HydrophobicContact CE-CG2 3.86Å; M297-V305 HydrophobicContact SD-CG2 4.26Å; E301-V305 PolarHBondContact O-N 2.93Å; V302-V305 PolarHBondContact O-N 3.49Å; V305-G307 VanDerWaalsContact C-N 3.26Å; V305-G307 PolarHBondContact O-N 3.23Å; V305-H308 WeakPolarHBondContact O-CB 3.3Å; V305-H308 PolarHBondContact O-N 2.9Å; V305-H308 VanDerWaalsContact O-N 3.12Å; V305-E309 WeakPolarHBondContact O-CG 3.37Å; V305-E309 PolarHBondContact O-N 3.4Å; V305-M404 HydrophobicContact CG2-CE 4.36Å; V305-A407 HydrophobicContact CG2-CB 3.88Å
306	V	97.4	Very high	95.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-37.1	173.7	173.3	0	0	0	0	111.3	I199 L202 I238 L240 V302 L303 E309 L310	I199-V306 HydrophobicContact CD1-CG2 4.29Å; I199-V306 HydrophobicContact CG1-CG2 4.42Å; I199-V306 HydrophobicContact CG2-CG1 4.38Å; L202-V306 HydrophobicContact CD2-CG1 4.32Å; I238-V306 HydrophobicContact CD1-CG1 4.06Å; I238-V306 HydrophobicContact CG2-CG2 4.34Å; L240-V306 HydrophobicContact CD2-CG2 4.03Å; V302-V306 HydrophobicContact CG1-CG2 4.5Å; V302-V306 WeakPolarHBondContact O-CG2 3.42Å; V302-V306 PolarHBondContact O-N 3.33Å; L303-V306 PolarHBondContact O-N 3.36Å; V306-E309 PolarHBondContact O-N 3.23Å; V306-L310 HydrophobicContact CG1-CD1 3.96Å; V306-L310 HydrophobicContact CG1-CG 4.25Å; V306-L310 WeakPolarHBondContact O-CB 3.32Å; V306-L310 WeakPolarHBondContact O-CG 3.01Å; V306-L310 PolarHBondContact O-N 3.33Å
307	G	97.6	Very high	95.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-42.1	173.3	0	0	0	0	0	113.1	L303 A304 V305 L310 G311 F394	L303-G307 PolarHBondContact O-N 2.83Å; A304-G307 WeakPolarHBondContact O-CA 3.32Å; A304-G307 PolarHBondContact O-N 3.35Å; A304-G307 VanDerWaalsContact O-N 3.15Å; V305-G307 VanDerWaalsContact C-N 3.26Å; V305-G307 PolarHBondContact O-N 3.23Å; G307-L310 PolarHBondContact O-N 2.73Å; G307-G311 PolarHBondContact O-N 2.71Å; G307-F394 WeakPolarHBondContact O-CD1 3.25Å
308	H	98	Very high	96	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-49.3	174	169.7	97.9	0	0	0	111.1	A304 V305 L310 G311 H312 E388 D392 M404 R438	A304-H308 PolarHBondContact O-N 2.99Å; V305-H308 WeakPolarHBondContact O-CB 3.3Å; V305-H308 PolarHBondContact O-N 2.9Å; V305-H308 VanDerWaalsContact O-N 3.12Å; H308-L310 VanDerWaalsContact C-N 3.34Å; H308-L310 PolarHBondContact O-N 3.08Å; H308-G311 VanDerWaalsContact O-CA 3.26Å; H308-G311 WeakPolarHBondContact O-CA 3.29Å; H308-G311 PolarHBondContact O-N 3.21Å; H308-H312 AromaticContact CD2-CD2 3.84Å; H308-H312 AromaticContact CD2-NE2 3.78Å; H308-H312 AromaticContact CE1-NE2 3.57Å; H308-H312 AromaticContact NE2-CD2 3.67Å; H308-H312 AromaticContact NE2-NE2 3.12Å; H308-H312 PolarHBondContact NE2-NE2 3.1Å; H308-H312 VanDerWaalsContact NE2-NE2 3.12Å; H308-H312 PolarHBondContact O-CD2 3.35Å; H308-H312 PolarHBondContact O-N 3.05Å; H308-E388 IonicContact CE1-OE2 3.34Å; H308-E388 PolarHBondContact CE1-OE2 3.42Å; H308-E388 IonicContact NE2-OE2 3.49Å; H308-D392 IonicContact CE1-OD1 2.79Å; H308-D392 PolarHBondContact CE1-OD1 3.31Å; H308-D392 IonicContact CG-OD1 3.15Å; H308-D392 IonicContact ND1-OD1 3.94Å; H308-D392 PolarHBondContact ND1-OD1 2.89Å; H308-M404 HydrophobicContact CB-CE 4.38Å; H308-M404 HydrophobicContact CB-SD 3.93Å; H308-R438 PolarHBondContact CE1-NH2 3.09Å; H308-R438 PolarHBondContact ND1-NH2 2.74Å
309	E	97	Very high	96.1	Very high	39 Å²	39	35.9 Å²	35.9	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-41.7	176.4	-70.8	-54	134.7	0	0	112.9	L229 V305 V306 G311 H312 W313	L229-E309 VanDerWaalsContact CD1-C 3.45Å; L229-E309 HydrophobicContact CD1-CB 3.88Å; L229-E309 VanDerWaalsContact CD1-O 3.26Å; L229-E309 WeakPolarHBondContact CD1-O 3.35Å; L229-E309 HydrophobicContact CD2-CB 4.24Å; L229-E309 HydrophobicContact CG-CB 3.81Å; V305-E309 WeakPolarHBondContact O-CG 3.37Å; V305-E309 PolarHBondContact O-N 3.4Å; V306-E309 PolarHBondContact O-N 3.23Å; E309-G311 PolarHBondContact O-N 3.46Å; E309-H312 WeakPolarHBondContact O-CB 3.42Å; E309-H312 PolarHBondContact O-N 3.42Å; E309-H312 VanDerWaalsContact O-N 3.15Å; E309-W313 PolarHBondContact O-N 2.88Å
310	L	97.2	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-29.2	173.2	-73.7	171.4	0	0	0	111.8	L202 V206 Y208 L229 V306 G307 H308 W313 K314 F394	L202-L310 HydrophobicContact CD2-CD1 3.95Å; L202-L310 HydrophobicContact CG-CD1 3.93Å; V206-L310 HydrophobicContact CG2-CB 4.43Å; V206-L310 HydrophobicContact CG2-CD1 3.97Å; V206-L310 HydrophobicContact CG2-CD2 4.18Å; V206-L310 HydrophobicContact CG2-CG 4.44Å; Y208-L310 HydrophobicContact CD1-CD2 3.64Å; Y208-L310 HydrophobicContact CD2-CD2 3.78Å; Y208-L310 HydrophobicContact CE1-CD2 4.1Å; Y208-L310 HydrophobicContact CE2-CD2 4.19Å; Y208-L310 HydrophobicContact CG-CD2 3.45Å; Y208-L310 VanDerWaalsContact CG-CD2 3.45Å; L229-L310 HydrophobicContact CD1-CD2 4.09Å; L229-L310 HydrophobicContact CD1-CG 4.46Å; V306-L310 HydrophobicContact CG1-CD1 3.96Å; V306-L310 HydrophobicContact CG1-CG 4.25Å; V306-L310 WeakPolarHBondContact O-CB 3.32Å; V306-L310 WeakPolarHBondContact O-CG 3.01Å; V306-L310 PolarHBondContact O-N 3.33Å; G307-L310 PolarHBondContact O-N 2.73Å; H308-L310 VanDerWaalsContact C-N 3.34Å; H308-L310 PolarHBondContact O-N 3.08Å; L310-W313 PolarHBondContact O-N 3.49Å; L310-K314 VanDerWaalsContact O-CB 3.3Å; L310-K314 WeakPolarHBondContact O-CB 3.36Å; L310-K314 PolarHBondContact O-N 2.96Å; L310-F394 HydrophobicContact CB-CE1 4.37Å
311	G	97.3	Very high	96.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-45.9	170.3	0	0	0	0	0	112.3	G307 H308 E309 W313 K314 L315	G307-G311 PolarHBondContact O-N 2.71Å; H308-G311 VanDerWaalsContact O-CA 3.26Å; H308-G311 WeakPolarHBondContact O-CA 3.29Å; H308-G311 PolarHBondContact O-N 3.21Å; E309-G311 PolarHBondContact O-N 3.46Å; G311-W313 VanDerWaalsContact C-N 3.27Å; G311-W313 PolarHBondContact O-N 2.69Å; G311-K314 PolarHBondContact O-N 2.85Å; G311-L315 VanDerWaalsContact O-CB 3.27Å; G311-L315 WeakPolarHBondContact O-CB 3.35Å; G311-L315 WeakPolarHBondContact O-CG 2.9Å; G311-L315 PolarHBondContact O-N 3.22Å
312	H	96.7	Very high	96	Very high	17 Å²	17	40.4 Å²	40.4	8%	0.079	19%	0.186	C	C	.	.	H	α-helix	trans	-57.4	-41.1	174.4	-74.9	-82.5	0	0	0	112.7	H308 E309 W316 H317 E388 A391	H308-H312 AromaticContact CD2-CD2 3.84Å; H308-H312 AromaticContact CD2-NE2 3.78Å; H308-H312 AromaticContact CE1-NE2 3.57Å; H308-H312 AromaticContact NE2-CD2 3.67Å; H308-H312 AromaticContact NE2-NE2 3.12Å; H308-H312 PolarHBondContact NE2-NE2 3.1Å; H308-H312 VanDerWaalsContact NE2-NE2 3.12Å; H308-H312 PolarHBondContact O-CD2 3.35Å; H308-H312 PolarHBondContact O-N 3.05Å; E309-H312 WeakPolarHBondContact O-CB 3.42Å; E309-H312 PolarHBondContact O-N 3.42Å; E309-H312 VanDerWaalsContact O-N 3.15Å; H312-W316 PolarHBondContact O-N 2.95Å; H312-H317 WeakPolarHBondContact CA-ND1 3.38Å; H312-H317 HydrophobicContact CB-CB 4.22Å; H312-H317 AromaticContact CE1-ND1 3.72Å; H312-H317 AromaticContact CG-ND1 3.66Å; H312-H317 AromaticContact ND1-CG 3.77Å; H312-H317 AromaticContact ND1-ND1 3.04Å; H312-H317 PolarHBondContact ND1-ND1 3.43Å; H312-H317 WeakPolarHBondContact O-CB 3.28Å; H312-H317 PolarHBondContact O-N 3.42Å; H312-E388 IonicContact CE1-OE1 3.16Å; H312-E388 PolarHBondContact CE1-OE1 2.92Å; H312-E388 IonicContact NE2-OE1 3.39Å; H312-E388 PolarHBondContact NE2-OE1 3.48Å; H312-A391 VanDerWaalsContact NE2-CB 3.31Å; H312-A391 WeakPolarHBondContact NE2-CB 3.02Å
313	W	95.6	Very high	96	Very high	70 Å²	70	44.3 Å²	44.3	27%	0.265	21%	0.206	S	C	.	.	H	α-helix	trans	-68.3	-48.9	175.5	173.9	74.7	0	0	0	112.3	A207 Y208 L229 E309 L310 G311 L315 W316	A207-W313 WeakPolarHBondContact O-CH2 3.38Å; Y208-W313 AromaticContact CD2-CD2 3.39Å; Y208-W313 HydrophobicContact CD2-CD2 3.39Å; Y208-W313 AromaticContact CD2-CE2 3.64Å; Y208-W313 AromaticContact CD2-CE3 3.52Å; Y208-W313 HydrophobicContact CD2-CE3 3.52Å; Y208-W313 AromaticContact CD2-CG 3.86Å; Y208-W313 HydrophobicContact CD2-CG 3.86Å; Y208-W313 HydrophobicContact CD2-CH2 4.08Å; Y208-W313 AromaticContact CD2-CZ2 3.98Å; Y208-W313 HydrophobicContact CD2-CZ2 3.98Å; Y208-W313 AromaticContact CD2-CZ3 3.86Å; Y208-W313 HydrophobicContact CD2-CZ3 3.86Å; Y208-W313 HydrophobicContact CE2-CB 4.29Å; Y208-W313 AromaticContact CE2-CD1 3.97Å; Y208-W313 AromaticContact CE2-CD2 3.77Å; Y208-W313 HydrophobicContact CE2-CD2 3.77Å; Y208-W313 HydrophobicContact CE2-CE3 4.3Å; Y208-W313 AromaticContact CE2-CG 3.72Å; Y208-W313 HydrophobicContact CE2-CG 3.72Å; Y208-W313 HydrophobicContact CG-CE3 4.36Å; Y208-W313 HydrophobicContact CG-CZ3 4.41Å; L229-W313 HydrophobicContact CD1-CB 4.33Å; E309-W313 PolarHBondContact O-N 2.88Å; L310-W313 PolarHBondContact O-N 3.49Å; G311-W313 VanDerWaalsContact C-N 3.27Å; G311-W313 PolarHBondContact O-N 2.69Å; W313-L315 VanDerWaalsContact C-N 3.32Å; W313-L315 PolarHBondContact O-N 3.1Å; W313-W316 PolarHBondContact O-N 3.3Å; W313-W316 VanDerWaalsContact O-N 3.16Å
314	K	95.8	Very high	95.9	Very high	93 Å²	93	46.5 Å²	46.5	40%	0.404	22%	0.217	S	C	.	.	H	α-helix	trans	-66.5	-34.8	-174	-171.4	64	170.6	-167.8	0	112.5	V206 L310 G311 W316 F394	V206-K314 PolarHBondContact O-NZ 3.05Å; L310-K314 VanDerWaalsContact O-CB 3.3Å; L310-K314 WeakPolarHBondContact O-CB 3.36Å; L310-K314 PolarHBondContact O-N 2.96Å; G311-K314 PolarHBondContact O-N 2.85Å; K314-W316 VanDerWaalsContact C-N 3.26Å; K314-W316 VanDerWaalsContact O-CD1 3.29Å; K314-F394 HydrophobicContact CB-CE1 4.43Å; K314-F394 HydrophobicContact CB-CE2 3.9Å; K314-F394 HydrophobicContact CB-CZ 3.78Å; K314-F394 HydrophobicContact CG-CE2 3.63Å; K314-F394 HydrophobicContact CG-CZ 3.79Å
315	L	96.6	Very high	95.7	Very high	61 Å²	61	50.2 Å²	50.2	32%	0.319	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	12	178.8	-60.5	174.3	0	0	0	112.9	G311 W313 H317 Y320 A390 F394	G311-L315 VanDerWaalsContact O-CB 3.27Å; G311-L315 WeakPolarHBondContact O-CB 3.35Å; G311-L315 WeakPolarHBondContact O-CG 2.9Å; G311-L315 PolarHBondContact O-N 3.22Å; W313-L315 VanDerWaalsContact C-N 3.32Å; W313-L315 PolarHBondContact O-N 3.1Å; L315-H317 WeakPolarHBondContact CB-NE2 3.29Å; L315-H317 PolarHBondContact O-CD2 2.92Å; L315-H317 PolarHBondContact O-N 3.41Å; L315-H317 VanDerWaalsContact O-N 3.11Å; L315-Y320 WeakPolarHBondContact O-CE2 3.29Å; L315-A390 HydrophobicContact CD1-CB 3.76Å; L315-F394 HydrophobicContact CD1-CB 4.36Å
316	W	95.6	Very high	95.7	Very high	158 Å²	158	51.1 Å²	51.1	60%	0.598	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	22.3	175	-64.4	78.2	0	0	0	114.4	H312 W313 K314 N318 T319 Y320	H312-W316 PolarHBondContact O-N 2.95Å; W313-W316 PolarHBondContact O-N 3.3Å; W313-W316 VanDerWaalsContact O-N 3.16Å; K314-W316 VanDerWaalsContact C-N 3.26Å; K314-W316 VanDerWaalsContact O-CD1 3.29Å; W316-N318 VanDerWaalsContact C-N 3.33Å; W316-N318 PolarHBondContact O-N 2.84Å; W316-T319 HydrophobicContact CE3-CG2 3.76Å; W316-T319 HydrophobicContact CZ3-CG2 4.16Å; W316-T319 WeakPolarHBondContact O-CB 3.3Å; W316-T319 PolarHBondContact O-N 3.3Å; W316-Y320 HydrophobicContact CB-CD2 4.35Å; W316-Y320 HydrophobicContact CB-CE2 4Å; W316-Y320 WeakPolarHBondContact O-CD2 3.35Å; W316-Y320 PolarHBondContact O-N 2.83Å
317	H	96	Very high	95.6	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-46	-178.2	-66	167.1	0	0	0	111.8	H312 L315 T319 Y320 N321 M387	H312-H317 WeakPolarHBondContact CA-ND1 3.38Å; H312-H317 HydrophobicContact CB-CB 4.22Å; H312-H317 AromaticContact CE1-ND1 3.72Å; H312-H317 AromaticContact CG-ND1 3.66Å; H312-H317 AromaticContact ND1-CG 3.77Å; H312-H317 AromaticContact ND1-ND1 3.04Å; H312-H317 PolarHBondContact ND1-ND1 3.43Å; H312-H317 WeakPolarHBondContact O-CB 3.28Å; H312-H317 PolarHBondContact O-N 3.42Å; L315-H317 WeakPolarHBondContact CB-NE2 3.29Å; L315-H317 PolarHBondContact O-CD2 2.92Å; L315-H317 PolarHBondContact O-N 3.41Å; L315-H317 VanDerWaalsContact O-N 3.11Å; H317-T319 VanDerWaalsContact C-N 3.3Å; H317-T319 PolarHBondContact O-N 2.98Å; H317-Y320 PolarHBondContact O-N 3.04Å; H317-N321 PolarHBondContact O-N 3.36Å; H317-M387 HydrophobicContact CB-CB 4.48Å; H317-M387 HydrophobicContact CB-CE 4.11Å; H317-M387 HydrophobicContact CB-CG 4.24Å; H317-M387 HydrophobicContact CB-SD 3.61Å; H317-M387 PolarHBondContact CE1-O 2.71Å
318	N	91.8	Very high	95.5	Very high	80 Å²	80	58.3 Å²	58.3	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-64.5	-35.9	177.5	-66.5	3.1	0	0	0	111.9	W316 N321 I322	W316-N318 VanDerWaalsContact C-N 3.33Å; W316-N318 PolarHBondContact O-N 2.84Å; N318-N321 PolarHBondContact O-N 3.4Å; N318-I322 VanDerWaalsContact O-CG1 3.29Å; N318-I322 WeakPolarHBondContact O-CG1 3.39Å; N318-I322 PolarHBondContact O-N 3.01Å
319	T	93.7	Very high	95.3	Very high	51 Å²	51	59.9 Å²	59.9	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-69	-41.5	177.6	-52.3	0	0	0	0	111.2	W316 H317 N321 I322 I323	W316-T319 HydrophobicContact CE3-CG2 3.76Å; W316-T319 HydrophobicContact CZ3-CG2 4.16Å; W316-T319 WeakPolarHBondContact O-CB 3.3Å; W316-T319 PolarHBondContact O-N 3.3Å; H317-T319 VanDerWaalsContact C-N 3.3Å; H317-T319 PolarHBondContact O-N 2.98Å; T319-N321 VanDerWaalsContact C-N 3.33Å; T319-N321 PolarHBondContact O-N 3.34Å; T319-I322 PolarHBondContact O-N 3.39Å; T319-I323 HydrophobicContact CG2-CD1 4.05Å; T319-I323 WeakPolarHBondContact O-CG1 3.49Å; T319-I323 PolarHBondContact O-N 3.31Å
320	Y	94.9	Very high	95.3	Very high	117 Å²	117	61.4 Å²	61.4	46%	0.459	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-44.1	173	-67.1	-52.8	0	0	0	111.6	L315 W316 H317 I322 I323 I324 F383 M387	L315-Y320 WeakPolarHBondContact O-CE2 3.29Å; W316-Y320 HydrophobicContact CB-CD2 4.35Å; W316-Y320 HydrophobicContact CB-CE2 4Å; W316-Y320 WeakPolarHBondContact O-CD2 3.35Å; W316-Y320 PolarHBondContact O-N 2.83Å; H317-Y320 PolarHBondContact O-N 3.04Å; Y320-I322 VanDerWaalsContact C-N 3.34Å; Y320-I322 PolarHBondContact O-N 3.02Å; Y320-I323 PolarHBondContact O-N 2.9Å; Y320-I324 VanDerWaalsContact O-CG1 3.3Å; Y320-I324 WeakPolarHBondContact O-CG1 3.39Å; Y320-I324 PolarHBondContact O-N 3.46Å; Y320-F383 HydrophobicContact CG-CZ 4.46Å; Y320-M387 HydrophobicContact CD2-CE 4.05Å; Y320-M387 HydrophobicContact CG-CE 4.36Å
321	N	93.1	Very high	95.2	Very high	56 Å²	56	63.8 Å²	63.8	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-41.4	176.6	-70.5	-18.1	0	0	0	112.1	H317 N318 T319 I324 M325	H317-N321 PolarHBondContact O-N 3.36Å; N318-N321 PolarHBondContact O-N 3.4Å; T319-N321 VanDerWaalsContact C-N 3.33Å; T319-N321 PolarHBondContact O-N 3.34Å; N321-I324 PolarHBondContact O-N 3.28Å; N321-M325 VanDerWaalsContact O-CB 3.29Å; N321-M325 WeakPolarHBondContact O-CB 3.38Å; N321-M325 PolarHBondContact O-N 3.42Å
322	I	94	Very high	95.1	Very high	48 Å²	48	65.5 Å²	65.5	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-46.8	175	-70.6	165.2	0	0	0	110.7	F170 N318 T319 Y320 I324 M325 E326	F170-I322 HydrophobicContact CE1-CD1 4.46Å; F170-I322 HydrophobicContact CE1-CG2 3.86Å; F170-I322 HydrophobicContact CZ-CG2 3.51Å; N318-I322 VanDerWaalsContact O-CG1 3.29Å; N318-I322 WeakPolarHBondContact O-CG1 3.39Å; N318-I322 PolarHBondContact O-N 3.01Å; T319-I322 PolarHBondContact O-N 3.39Å; Y320-I322 VanDerWaalsContact C-N 3.34Å; Y320-I322 PolarHBondContact O-N 3.02Å; I322-I324 VanDerWaalsContact C-N 3.34Å; I322-I324 PolarHBondContact O-N 2.97Å; I322-M325 WeakPolarHBondContact O-CB 3.48Å; I322-M325 PolarHBondContact O-N 3.03Å; I322-E326 HydrophobicContact CG2-CG 4.33Å; I322-E326 WeakPolarHBondContact O-CG 3.39Å; I322-E326 PolarHBondContact O-N 2.96Å
323	I	96.1	Very high	95	Very high	83 Å²	83	65 Å²	65	43%	0.426	32%	0.319	S	S	.	.	H	α-helix	trans	-60.3	-45.1	178.8	-68.6	166	0	0	0	111	T319 Y320 M325 E326 I327	T319-I323 HydrophobicContact CG2-CD1 4.05Å; T319-I323 WeakPolarHBondContact O-CG1 3.49Å; T319-I323 PolarHBondContact O-N 3.31Å; Y320-I323 PolarHBondContact O-N 2.9Å; I323-M325 VanDerWaalsContact C-N 3.33Å; I323-M325 PolarHBondContact O-N 3.3Å; I323-E326 PolarHBondContact O-N 2.93Å; I323-I327 HydrophobicContact CG2-CD1 3.71Å; I323-I327 HydrophobicContact CG2-CG1 4.38Å; I323-I327 VanDerWaalsContact O-CG1 3.29Å; I323-I327 WeakPolarHBondContact O-CG1 3.49Å; I323-I327 PolarHBondContact O-N 3.46Å
324	I	94.9	Very high	94.9	Very high	67 Å²	67	64.2 Å²	64.2	34%	0.344	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-43.4	177.4	-68.5	166.3	0	0	0	110.7	Y320 N321 I322 S328 L380 F383	Y320-I324 VanDerWaalsContact O-CG1 3.3Å; Y320-I324 WeakPolarHBondContact O-CG1 3.39Å; Y320-I324 PolarHBondContact O-N 3.46Å; N321-I324 PolarHBondContact O-N 3.28Å; I322-I324 VanDerWaalsContact C-N 3.34Å; I322-I324 PolarHBondContact O-N 2.97Å; I324-S328 WeakPolarHBondContact O-CB 3.29Å; I324-S328 PolarHBondContact O-N 3.28Å; I324-L380 HydrophobicContact CD1-CD1 4.46Å; I324-F383 HydrophobicContact CD1-CD1 3.81Å; I324-F383 HydrophobicContact CD1-CE1 3.53Å
325	M	93.2	Very high	94.9	Very high	79 Å²	79	61.9 Å²	61.9	39%	0.389	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-43.6	177.5	-176.4	-174.9	70.7	0	0	111.9	M173 N321 I322 I323 S328 L329	M173-M325 HydrophobicContact CE-CE 3.72Å; M173-M325 HydrophobicContact CE-SD 4.06Å; N321-M325 VanDerWaalsContact O-CB 3.29Å; N321-M325 WeakPolarHBondContact O-CB 3.38Å; N321-M325 PolarHBondContact O-N 3.42Å; I322-M325 WeakPolarHBondContact O-CB 3.48Å; I322-M325 PolarHBondContact O-N 3.03Å; I323-M325 VanDerWaalsContact C-N 3.33Å; I323-M325 PolarHBondContact O-N 3.3Å; M325-S328 WeakPolarHBondContact O-CB 3.44Å; M325-S328 PolarHBondContact O-N 3.36Å; M325-L329 WeakPolarHBondContact O-CB 3.12Å; M325-L329 PolarHBondContact O-N 3.13Å
326	E	96.5	Very high	94.7	Very high	32 Å²	32	59 Å²	59	15%	0.15	31%	0.306	C	S	.	.	H	α-helix	trans	-67.2	-46.8	177.9	-69	-61	136.6	0	0	111.9	S166 I322 I323 S328 L329 F330	S166-E326 VanDerWaalsContact CB-OE2 3.23Å; S166-E326 WeakPolarHBondContact CB-OE2 3.46Å; S166-E326 PolarHBondContact OG-OE2 3.32Å; I322-E326 HydrophobicContact CG2-CG 4.33Å; I322-E326 WeakPolarHBondContact O-CG 3.39Å; I322-E326 PolarHBondContact O-N 2.96Å; I323-E326 PolarHBondContact O-N 2.93Å; E326-S328 VanDerWaalsContact C-N 3.26Å; E326-S328 PolarHBondContact O-N 2.84Å; E326-L329 WeakPolarHBondContact O-CB 3.4Å; E326-L329 PolarHBondContact O-N 3.45Å; E326-F330 WeakPolarHBondContact O-CD2 3.47Å; E326-F330 PolarHBondContact O-N 3.41Å
327	I	96	Very high	94.6	Very high	114 Å²	114	53.6 Å²	53.6	59%	0.585	30%	0.295	S	S	*	.	H	α-helix	trans	-57.3	-44.4	174.9	-69	169.4	0	0	0	110.1	I323 A331	I323-I327 HydrophobicContact CG2-CD1 3.71Å; I323-I327 HydrophobicContact CG2-CG1 4.38Å; I323-I327 VanDerWaalsContact O-CG1 3.29Å; I323-I327 WeakPolarHBondContact O-CG1 3.49Å; I323-I327 PolarHBondContact O-N 3.46Å; I327-A331 WeakPolarHBondContact O-CB 3.44Å; I327-A331 PolarHBondContact O-N 3.1Å
328	S	94.6	Very high	94.4	Very high	40 Å²	40	62.3 Å²	62.3	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-49	176.4	-174.8	0	0	0	0	111.3	I324 M325 E326 F330 A331 H332	I324-S328 WeakPolarHBondContact O-CB 3.29Å; I324-S328 PolarHBondContact O-N 3.28Å; M325-S328 WeakPolarHBondContact O-CB 3.44Å; M325-S328 PolarHBondContact O-N 3.36Å; E326-S328 VanDerWaalsContact C-N 3.26Å; E326-S328 PolarHBondContact O-N 2.84Å; S328-F330 PolarHBondContact O-N 3.04Å; S328-A331 PolarHBondContact O-N 3.15Å; S328-H332 PolarHBondContact O-N 3.5Å; S328-H332 PolarHBondContact O-ND1 3.18Å; S328-H332 PolarHBondContact OG-CE1 3.37Å; S328-H332 PolarHBondContact OG-ND1 3.4Å
329	L	95.4	Very high	94.5	Very high	41 Å²	41	59.8 Å²	59.8	22%	0.215	31%	0.314	C	S	.	.	H	α-helix	trans	-54	-51.9	178.1	172.9	64.1	0	0	0	111.9	L165 M325 E326 A331 H332 L333	L165-L329 HydrophobicContact CB-CD1 4.33Å; L165-L329 HydrophobicContact CB-CD2 4Å; L165-L329 HydrophobicContact CD1-CD1 3.95Å; M325-L329 WeakPolarHBondContact O-CB 3.12Å; M325-L329 PolarHBondContact O-N 3.13Å; E326-L329 WeakPolarHBondContact O-CB 3.4Å; E326-L329 PolarHBondContact O-N 3.45Å; L329-A331 VanDerWaalsContact C-N 3.34Å; L329-A331 PolarHBondContact O-N 3.03Å; L329-H332 PolarHBondContact O-N 3.02Å; L329-L333 HydrophobicContact CD1-CD1 4.03Å; L329-L333 HydrophobicContact CD1-CG 4.29Å; L329-L333 HydrophobicContact CG-CD1 4.19Å; L329-L333 WeakPolarHBondContact O-CG 3.36Å; L329-L333 PolarHBondContact O-N 3.19Å
330	F	96.4	Very high	94.2	Very high	71 Å²	71	58.9 Å²	58.9	31%	0.311	31%	0.305	S	S	.	.	H	α-helix	trans	-66.2	-35	179.8	-80	-79.6	0	0	0	112.6	L159 E326 S328 L333 A334	L159-F330 HydrophobicContact CD1-CE1 3.94Å; E326-F330 WeakPolarHBondContact O-CD2 3.47Å; E326-F330 PolarHBondContact O-N 3.41Å; S328-F330 PolarHBondContact O-N 3.04Å; F330-L333 PolarHBondContact O-N 2.8Å; F330-A334 WeakPolarHBondContact O-CB 3.37Å; F330-A334 PolarHBondContact O-N 3.33Å
331	A	94.9	Very high	93.7	Very high	50 Å²	50	60.6 Å²	60.6	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-45.2	174.2	0	0	0	0	0	112	I327 S328 L329 L333 A334 V335	I327-A331 WeakPolarHBondContact O-CB 3.44Å; I327-A331 PolarHBondContact O-N 3.1Å; S328-A331 PolarHBondContact O-N 3.15Å; L329-A331 VanDerWaalsContact C-N 3.34Å; L329-A331 PolarHBondContact O-N 3.03Å; A331-L333 VanDerWaalsContact C-N 3.34Å; A331-L333 PolarHBondContact O-N 3.36Å; A331-A334 PolarHBondContact O-N 3.38Å; A331-V335 WeakPolarHBondContact O-CG2 3.43Å; A331-V335 PolarHBondContact O-N 2.99Å
332	H	94.9	Very high	93.7	Very high	35 Å²	35	62.2 Å²	62.2	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-43.3	176.3	-75.8	82.7	0	0	0	111.6	S328 L329 V335 F336 L365 L369 T373	S328-H332 PolarHBondContact O-N 3.5Å; S328-H332 PolarHBondContact O-ND1 3.18Å; S328-H332 PolarHBondContact OG-CE1 3.37Å; S328-H332 PolarHBondContact OG-ND1 3.4Å; L329-H332 PolarHBondContact O-N 3.02Å; H332-V335 PolarHBondContact O-N 3.5Å; H332-F336 WeakPolarHBondContact O-CB 3.29Å; H332-F336 PolarHBondContact O-N 3.18Å; H332-L365 HydrophobicContact CB-CD2 3.86Å; H332-L369 HydrophobicContact CB-CD1 4.49Å; H332-L369 VanDerWaalsContact CD2-CD1 3.41Å; H332-L369 WeakPolarHBondContact CD2-CD1 3.29Å; H332-T373 WeakPolarHBondContact NE2-CG2 3.38Å
333	L	94.8	Very high	93.7	Very high	6 Å²	6	62.4 Å²	62.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-67.3	-34.9	177	-70.5	175.4	0	0	0	112.7	I158 T161 L165 L329 F330 A331 F336 A337	I158-L333 HydrophobicContact CG2-CB 3.98Å; T161-L333 HydrophobicContact CG2-CD1 4.05Å; T161-L333 HydrophobicContact CG2-CD2 3.84Å; L165-L333 HydrophobicContact CD1-CD1 4.39Å; L329-L333 HydrophobicContact CD1-CD1 4.03Å; L329-L333 HydrophobicContact CD1-CG 4.29Å; L329-L333 HydrophobicContact CG-CD1 4.19Å; L329-L333 WeakPolarHBondContact O-CG 3.36Å; L329-L333 PolarHBondContact O-N 3.19Å; F330-L333 PolarHBondContact O-N 2.8Å; A331-L333 VanDerWaalsContact C-N 3.34Å; A331-L333 PolarHBondContact O-N 3.36Å; L333-F336 PolarHBondContact O-N 3.01Å; L333-A337 WeakPolarHBondContact O-CB 3.37Å; L333-A337 PolarHBondContact O-N 3.42Å
334	A	93.9	Very high	93.6	Very high	55 Å²	55	63.3 Å²	63.3	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-41.6	173.8	0	0	0	0	0	111.7	F330 A331 A337 W338	F330-A334 WeakPolarHBondContact O-CB 3.37Å; F330-A334 PolarHBondContact O-N 3.33Å; A331-A334 PolarHBondContact O-N 3.38Å; A334-A337 WeakPolarHBondContact O-CB 3.37Å; A334-A337 PolarHBondContact O-N 3.26Å; A334-W338 PolarHBondContact O-N 3.04Å; A334-W338 VanDerWaalsContact O-N 3.13Å
335	V	94.6	Very high	93.6	Very high	44 Å²	44	61.3 Å²	61.3	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-43.3	173.7	175.6	0	0	0	0	110.9	A331 H332 A337 W338 L339 I364 L369	A331-V335 WeakPolarHBondContact O-CG2 3.43Å; A331-V335 PolarHBondContact O-N 2.99Å; H332-V335 PolarHBondContact O-N 3.5Å; V335-A337 VanDerWaalsContact C-N 3.34Å; V335-A337 PolarHBondContact O-N 3.45Å; V335-W338 PolarHBondContact O-N 2.91Å; V335-L339 HydrophobicContact CG1-CD1 3.69Å; V335-L339 HydrophobicContact CG1-CG 4.24Å; V335-L339 WeakPolarHBondContact O-CB 3.15Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 2.94Å; V335-I364 HydrophobicContact CG1-CG2 4.41Å; V335-L369 HydrophobicContact CB-CD1 4.25Å; V335-L369 HydrophobicContact CG1-CD1 4.13Å; V335-L369 HydrophobicContact CG1-CD2 3.99Å; V335-L369 HydrophobicContact CG1-CG 4.3Å
336	F	94.4	Very high	93.7	Very high	1 Å²	1	57.6 Å²	57.6	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-56.5	-48.3	173.4	172.2	-99.6	0	0	0	111.3	I150 I158 H332 L333 W338 L339 Y340 L361 I364	I150-F336 HydrophobicContact CD1-CE1 3.96Å; I150-F336 HydrophobicContact CD1-CZ 4.33Å; I150-F336 HydrophobicContact CG2-CE1 4.15Å; I150-F336 HydrophobicContact CG2-CZ 4.42Å; I158-F336 HydrophobicContact CD1-CD1 4.15Å; H332-F336 WeakPolarHBondContact O-CB 3.29Å; H332-F336 PolarHBondContact O-N 3.18Å; L333-F336 PolarHBondContact O-N 3.01Å; F336-W338 PolarHBondContact O-N 3.43Å; F336-L339 PolarHBondContact O-N 3.19Å; F336-L339 VanDerWaalsContact O-N 3.13Å; F336-Y340 HydrophobicContact CD2-CD2 4.36Å; F336-Y340 HydrophobicContact CE1-CD2 4.03Å; F336-Y340 HydrophobicContact CE1-CG 4.01Å; F336-Y340 AromaticContact CE2-CD2 3.31Å; F336-Y340 HydrophobicContact CE2-CD2 3.31Å; F336-Y340 HydrophobicContact CE2-CE2 4.1Å; F336-Y340 AromaticContact CE2-CG 3.93Å; F336-Y340 HydrophobicContact CE2-CG 3.93Å; F336-Y340 HydrophobicContact CZ-CD1 4.4Å; F336-Y340 AromaticContact CZ-CD2 3.1Å; F336-Y340 HydrophobicContact CZ-CD2 3.1Å; F336-Y340 AromaticContact CZ-CE2 3.68Å; F336-Y340 HydrophobicContact CZ-CE2 3.68Å; F336-Y340 AromaticContact CZ-CG 3.54Å; F336-Y340 HydrophobicContact CZ-CG 3.54Å; F336-Y340 WeakPolarHBondContact O-CA 3.42Å; F336-Y340 WeakPolarHBondContact O-CB 3.34Å; F336-Y340 PolarHBondContact O-N 3.04Å; F336-L361 HydrophobicContact CD1-CD2 4.05Å; F336-L361 HydrophobicContact CD2-CD2 3.55Å; F336-L361 HydrophobicContact CD2-CG 4.09Å; F336-L361 HydrophobicContact CE1-CD2 4.02Å; F336-L361 HydrophobicContact CE1-CG 4.44Å; F336-L361 HydrophobicContact CE2-CB 4.24Å; F336-L361 HydrophobicContact CE2-CD2 3.51Å; F336-L361 HydrophobicContact CE2-CG 3.56Å; F336-L361 HydrophobicContact CG-CD2 3.82Å; F336-L361 HydrophobicContact CZ-CD2 3.74Å; F336-L361 HydrophobicContact CZ-CG 3.75Å; F336-I364 HydrophobicContact CD2-CB 4.38Å; F336-I364 HydrophobicContact CD2-CD1 3.61Å; F336-I364 HydrophobicContact CE2-CD1 4.08Å
337	A	92.5	Very high	93.6	Very high	43 Å²	43	59.5 Å²	59.5	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-54.6	-40.4	177.4	0	0	0	0	0	113	I158 L333 A334 V335	I158-A337 HydrophobicContact CB-CB 4.49Å; I158-A337 HydrophobicContact CD1-CB 3.54Å; I158-A337 HydrophobicContact CG1-CB 3.48Å; I158-A337 VanDerWaalsContact CG1-CB 3.48Å; I158-A337 HydrophobicContact CG2-CB 4.4Å; L333-A337 WeakPolarHBondContact O-CB 3.37Å; L333-A337 PolarHBondContact O-N 3.42Å; A334-A337 WeakPolarHBondContact O-CB 3.37Å; A334-A337 PolarHBondContact O-N 3.26Å; V335-A337 VanDerWaalsContact C-N 3.34Å; V335-A337 PolarHBondContact O-N 3.45Å
338	W	91.5	Very high	93.4	Very high	195 Å²	195	57.7 Å²	57.7	74%	0.739	32%	0.316	S	S	*	.	H	α-helix	trans	-71.5	-36.6	-179.6	-178.2	45.8	0	0	0	112.7	A334 V335 F336	A334-W338 PolarHBondContact O-N 3.04Å; A334-W338 VanDerWaalsContact O-N 3.13Å; V335-W338 PolarHBondContact O-N 2.91Å; F336-W338 PolarHBondContact O-N 3.43Å
339	L	93.6	Very high	93.4	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.147	31%	0.309	C	S	.	.	H	α-helix	trans	-97.8	-22.3	-173.3	-66.2	-177.2	0	0	0	114.5	V335 F336 K341 Q342 L345 I364 I368	V335-L339 HydrophobicContact CG1-CD1 3.69Å; V335-L339 HydrophobicContact CG1-CG 4.24Å; V335-L339 WeakPolarHBondContact O-CB 3.15Å; V335-L339 WeakPolarHBondContact O-CG 3.47Å; V335-L339 PolarHBondContact O-N 2.94Å; F336-L339 PolarHBondContact O-N 3.19Å; F336-L339 VanDerWaalsContact O-N 3.13Å; L339-K341 PolarHBondContact O-N 3.25Å; L339-Q342 VanDerWaalsContact O-CB 3.31Å; L339-Q342 WeakPolarHBondContact O-CB 3.35Å; L339-Q342 WeakPolarHBondContact O-CG 3.35Å; L339-Q342 PolarHBondContact O-N 3.07Å; L339-L345 HydrophobicContact CB-CD1 3.78Å; L339-I364 HydrophobicContact CB-CD1 3.76Å; L339-I364 HydrophobicContact CB-CG1 4.18Å; L339-I364 HydrophobicContact CD1-CG2 4.16Å; L339-I368 HydrophobicContact CD1-CG2 4.07Å
340	Y	87.8	Confident	93.3	Very high	32 Å²	32	55.9 Å²	55.9	13%	0.125	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.9	-169.3	174.9	-112	0	0	0	114.4	I150 F336 Y346 Y355 V357	I150-Y340 HydrophobicContact CG2-CE1 4.48Å; F336-Y340 HydrophobicContact CD2-CD2 4.36Å; F336-Y340 HydrophobicContact CE1-CD2 4.03Å; F336-Y340 HydrophobicContact CE1-CG 4.01Å; F336-Y340 AromaticContact CE2-CD2 3.31Å; F336-Y340 HydrophobicContact CE2-CD2 3.31Å; F336-Y340 HydrophobicContact CE2-CE2 4.1Å; F336-Y340 AromaticContact CE2-CG 3.93Å; F336-Y340 HydrophobicContact CE2-CG 3.93Å; F336-Y340 HydrophobicContact CZ-CD1 4.4Å; F336-Y340 AromaticContact CZ-CD2 3.1Å; F336-Y340 HydrophobicContact CZ-CD2 3.1Å; F336-Y340 AromaticContact CZ-CE2 3.68Å; F336-Y340 HydrophobicContact CZ-CE2 3.68Å; F336-Y340 AromaticContact CZ-CG 3.54Å; F336-Y340 HydrophobicContact CZ-CG 3.54Å; F336-Y340 WeakPolarHBondContact O-CA 3.42Å; F336-Y340 WeakPolarHBondContact O-CB 3.34Å; F336-Y340 PolarHBondContact O-N 3.04Å; Y340-Y346 WeakPolarHBondContact CD2-OH 3.25Å; Y340-Y346 WeakPolarHBondContact CE2-OH 3.25Å; Y340-Y346 VanDerWaalsContact O-CE2 3.25Å; Y340-Y346 WeakPolarHBondContact O-CE2 3.34Å; Y340-Y346 PolarHBondContact O-OH 3.27Å; Y340-Y355 PolarHBondContact OH-O 3Å; Y340-V357 HydrophobicContact CE2-CG2 4.32Å; Y340-V357 WeakPolarHBondContact OH-CG2 3.32Å
341	K	85.1	Confident	93.2	Very high	153 Å²	153	52.8 Å²	52.8	67%	0.665	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	5.5	-178.8	-64.7	-173.6	178.1	-177.5	0	114.1	L339 P343	L339-K341 PolarHBondContact O-N 3.25Å; K341-P343 VanDerWaalsContact O-CD 3.27Å; K341-P343 WeakPolarHBondContact O-CD 3.5Å
342	Q	93.1	Very high	93	Very high	90 Å²	90	57.1 Å²	57.1	42%	0.421	30%	0.299	S	S	.	.			trans	-87.7	109.8	-177.1	-60.5	-59.5	-28.8	0	0	110.8	L339 V344 L345 Y346	L339-Q342 VanDerWaalsContact O-CB 3.31Å; L339-Q342 WeakPolarHBondContact O-CB 3.35Å; L339-Q342 WeakPolarHBondContact O-CG 3.35Å; L339-Q342 PolarHBondContact O-N 3.07Å; Q342-V344 HydrophobicContact CB-CG1 4.33Å; Q342-V344 PolarHBondContact O-N 3.49Å; Q342-L345 HydrophobicContact CB-CD1 4.15Å; Q342-L345 HydrophobicContact CB-CG 4.21Å; Q342-L345 PolarHBondContact O-N 3.16Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.22Å
343	P	93.8	Very high	92.8	Very high	52 Å²	52	63.1 Å²	63.1	34%	0.338	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-32	-175.8	-24.9	36.3	0	0	0	113.1	K341 L345 Y346 H347 Y355	K341-P343 VanDerWaalsContact O-CD 3.27Å; K341-P343 WeakPolarHBondContact O-CD 3.5Å; P343-L345 PolarHBondContact O-N 2.87Å; P343-L345 VanDerWaalsContact O-N 3.12Å; P343-Y346 PolarHBondContact O-N 3.44Å; P343-H347 PolarHBondContact O-CD2 3.47Å; P343-H347 PolarHBondContact O-N 2.98Å; P343-Y355 HydrophobicContact CB-CE1 3.92Å; P343-Y355 HydrophobicContact CG-CE1 4.5Å
344	V	94.8	Very high	92.6	Very high	101 Å²	101	66.3 Å²	66.3	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-54.6	-33.9	179.8	72.7	0	0	0	0	112.7	Q342 Y346 A348	Q342-V344 HydrophobicContact CB-CG1 4.33Å; Q342-V344 PolarHBondContact O-N 3.49Å; V344-Y346 VanDerWaalsContact C-N 3.33Å; V344-A348 WeakPolarHBondContact O-CB 3.37Å; V344-A348 PolarHBondContact O-N 3.3Å
345	L	94.3	Very high	92.6	Very high	26 Å²	26	68.4 Å²	68.4	14%	0.136	34%	0.344	C	S	.	.	H	α-helix	trans	-71.1	-29.8	179.9	-64.5	179.4	0	0	0	112.3	L339 Q342 P343 F349 V363 I364 I368	L339-L345 HydrophobicContact CB-CD1 3.78Å; Q342-L345 HydrophobicContact CB-CD1 4.15Å; Q342-L345 HydrophobicContact CB-CG 4.21Å; Q342-L345 PolarHBondContact O-N 3.16Å; P343-L345 PolarHBondContact O-N 2.87Å; P343-L345 VanDerWaalsContact O-N 3.12Å; L345-F349 VanDerWaalsContact O-CD2 3.25Å; L345-F349 WeakPolarHBondContact O-CD2 3.3Å; L345-V363 HydrophobicContact CB-CG1 4.31Å; L345-I364 HydrophobicContact CD1-CD1 4.25Å; L345-I364 HydrophobicContact CD1-CG1 3.99Å; L345-I368 HydrophobicContact CD2-CD1 3.86Å; L345-I368 HydrophobicContact CD2-CG1 4.11Å
346	Y	95.1	Very high	92.6	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	33%	0.332	C	S	.	.	H	α-helix	trans	-87	-41.2	179.1	-66.4	-97.2	0	0	0	111.2	Y340 Q342 P343 V344 A348 F349 G350 F351 Y355 I359 G360	Y340-Y346 WeakPolarHBondContact CD2-OH 3.25Å; Y340-Y346 WeakPolarHBondContact CE2-OH 3.25Å; Y340-Y346 VanDerWaalsContact O-CE2 3.25Å; Y340-Y346 WeakPolarHBondContact O-CE2 3.34Å; Y340-Y346 PolarHBondContact O-OH 3.27Å; Q342-Y346 WeakPolarHBondContact O-CD2 3.22Å; P343-Y346 PolarHBondContact O-N 3.44Å; V344-Y346 VanDerWaalsContact C-N 3.33Å; Y346-A348 PolarHBondContact O-N 2.9Å; Y346-F349 CarbonylContact O-C 3.24Å; Y346-F349 PolarHBondContact O-N 3.38Å; Y346-G350 PolarHBondContact O-N 3.03Å; Y346-F351 CarbonylContact C-O 3.48Å; Y346-F351 VanDerWaalsContact C-O 3.24Å; Y346-F351 HydrophobicContact CD1-CB 4.49Å; Y346-F351 PolarHBondContact O-N 3.33Å; Y346-Y355 HydrophobicContact CD1-CD1 4Å; Y346-Y355 AromaticContact CD2-CD1 3.55Å; Y346-Y355 HydrophobicContact CD2-CD1 3.55Å; Y346-Y355 HydrophobicContact CD2-CE1 4.26Å; Y346-Y355 HydrophobicContact CD2-CG 4.45Å; Y346-Y355 HydrophobicContact CE1-CD1 4.47Å; Y346-Y355 HydrophobicContact CE2-CD1 4.06Å; Y346-Y355 AromaticContact CG-CD1 3.5Å; Y346-Y355 HydrophobicContact CG-CD1 3.5Å; Y346-Y355 HydrophobicContact CG-CE1 4.28Å; Y346-Y355 HydrophobicContact CG-CG 4.45Å; Y346-I359 HydrophobicContact CD1-CG2 4.38Å; Y346-G360 WeakPolarHBondContact OH-CA 3.24Å
347	H	94.1	Very high	92.6	Very high	71 Å²	71	66.3 Å²	66.3	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-34.3	176.9	-68.1	-167.8	0	0	0	111.5	P343 F349 G350 F351 Y352	P343-H347 PolarHBondContact O-CD2 3.47Å; P343-H347 PolarHBondContact O-N 2.98Å; H347-F349 PolarHBondContact O-N 3.4Å; H347-G350 PolarHBondContact O-N 3Å; H347-F351 PolarHBondContact CD2-O 3.11Å; H347-F351 PolarHBondContact N-O 3.41Å; H347-Y352 HydrophobicContact CB-CD1 4.13Å; H347-Y352 HydrophobicContact CB-CE1 4.06Å; H347-Y352 AromaticContact CG-CD1 3.97Å
348	A	92.5	Very high	92.7	Very high	76 Å²	76	65.2 Å²	65.2	63%	0.628	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.7	175.9	0	0	0	0	0	114	V344 Y346	V344-A348 WeakPolarHBondContact O-CB 3.37Å; V344-A348 PolarHBondContact O-N 3.3Å; Y346-A348 PolarHBondContact O-N 2.9Å
349	F	93.4	Very high	92.9	Very high	28 Å²	28	56.9 Å²	56.9	12%	0.123	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	21.4	-179.4	-70.7	-100.5	0	0	0	112.2	L56 I61 P62 L345 Y346 H347 F351 V363 F367	L56-F349 HydrophobicContact CD2-CD1 3.74Å; L56-F349 HydrophobicContact CD2-CE1 3.44Å; L56-F349 VanDerWaalsContact CD2-CE1 3.44Å; I61-F349 HydrophobicContact CD1-CD1 4.07Å; P62-F349 VanDerWaalsContact CD-O 3.31Å; P62-F349 WeakPolarHBondContact CD-O 3.44Å; P62-F349 WeakPolarHBondContact CG-O 3.3Å; L345-F349 VanDerWaalsContact O-CD2 3.25Å; L345-F349 WeakPolarHBondContact O-CD2 3.3Å; Y346-F349 CarbonylContact O-C 3.24Å; Y346-F349 PolarHBondContact O-N 3.38Å; H347-F349 PolarHBondContact O-N 3.4Å; F349-F351 HydrophobicContact CB-CD2 4.38Å; F349-F351 VanDerWaalsContact O-CD2 3.28Å; F349-F351 WeakPolarHBondContact O-CD2 3.34Å; F349-V363 HydrophobicContact CB-CG2 4.33Å; F349-V363 HydrophobicContact CD1-CG2 4.09Å; F349-V363 HydrophobicContact CD2-CB 4.48Å; F349-V363 HydrophobicContact CD2-CG1 3.86Å; F349-V363 HydrophobicContact CD2-CG2 3.72Å; F349-V363 HydrophobicContact CE1-CG2 4.29Å; F349-V363 HydrophobicContact CE2-CB 4.34Å; F349-V363 HydrophobicContact CE2-CG1 3.51Å; F349-V363 HydrophobicContact CE2-CG2 3.97Å; F349-V363 HydrophobicContact CG-CG2 3.79Å; F349-V363 HydrophobicContact CZ-CG1 4.1Å; F349-V363 HydrophobicContact CZ-CG2 4.23Å; F349-F367 AromaticContact CE1-CD2 3.55Å; F349-F367 HydrophobicContact CE1-CD2 3.55Å; F349-F367 AromaticContact CE1-CE2 3.63Å; F349-F367 HydrophobicContact CE1-CE2 3.63Å; F349-F367 HydrophobicContact CE1-CG 4.05Å; F349-F367 HydrophobicContact CE1-CZ 4.2Å; F349-F367 HydrophobicContact CZ-CB 4.01Å; F349-F367 AromaticContact CZ-CD2 3.59Å; F349-F367 HydrophobicContact CZ-CD2 3.59Å; F349-F367 HydrophobicContact CZ-CE2 4.17Å; F349-F367 AromaticContact CZ-CG 3.8Å; F349-F367 HydrophobicContact CZ-CG 3.8Å
350	G	93	Very high	93	Very high	16 Å²	16	55.6 Å²	55.6	17%	0.165	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	12.5	174.1	0	0	0	0	0	115.7	Y346 H347	Y346-G350 PolarHBondContact O-N 3.03Å; H347-G350 PolarHBondContact O-N 3Å
351	F	94.3	Very high	93.3	Very high	5 Å²	5	54.9 Å²	54.9	2%	0.022	28%	0.282	C	S	.	.			trans	-101.7	101.3	175.5	-71.7	-93.9	0	0	0	109.9	I61 P62 W65 Y346 H347 F349 E354 P356 I359	I61-F351 HydrophobicContact CG2-CE2 3.85Å; I61-F351 HydrophobicContact CG2-CZ 4.2Å; P62-F351 HydrophobicContact CB-CE2 4.28Å; P62-F351 HydrophobicContact CB-CZ 4.31Å; P62-F351 HydrophobicContact CG-CD2 3.99Å; P62-F351 HydrophobicContact CG-CE2 3.66Å; P62-F351 HydrophobicContact CG-CZ 4.19Å; W65-F351 HydrophobicContact CB-CE1 3.92Å; W65-F351 HydrophobicContact CB-CZ 3.83Å; W65-F351 AromaticContact CD1-CE1 3.66Å; W65-F351 HydrophobicContact CD2-CE1 4.33Å; W65-F351 AromaticContact CG-CE1 3.69Å; W65-F351 HydrophobicContact CG-CE1 3.69Å; W65-F351 HydrophobicContact CG-CZ 4.08Å; Y346-F351 CarbonylContact C-O 3.48Å; Y346-F351 VanDerWaalsContact C-O 3.24Å; Y346-F351 HydrophobicContact CD1-CB 4.49Å; Y346-F351 PolarHBondContact O-N 3.33Å; H347-F351 PolarHBondContact CD2-O 3.11Å; H347-F351 PolarHBondContact N-O 3.41Å; F349-F351 HydrophobicContact CB-CD2 4.38Å; F349-F351 VanDerWaalsContact O-CD2 3.28Å; F349-F351 WeakPolarHBondContact O-CD2 3.34Å; F351-E354 HydrophobicContact CD1-CG 4.04Å; F351-P356 HydrophobicContact CD1-CG 4.27Å; F351-P356 HydrophobicContact CE1-CG 4.15Å; F351-I359 HydrophobicContact CD2-CG2 3.77Å; F351-I359 HydrophobicContact CE1-CG1 3.94Å; F351-I359 HydrophobicContact CE1-CG2 4.3Å; F351-I359 HydrophobicContact CE2-CB 4.5Å; F351-I359 HydrophobicContact CE2-CD1 4.34Å; F351-I359 HydrophobicContact CE2-CG1 4.27Å; F351-I359 HydrophobicContact CE2-CG2 3.51Å; F351-I359 HydrophobicContact CG-CG2 4.29Å; F351-I359 HydrophobicContact CZ-CB 4.32Å; F351-I359 HydrophobicContact CZ-CD1 3.79Å; F351-I359 HydrophobicContact CZ-CG1 3.66Å; F351-I359 HydrophobicContact CZ-CG2 3.8Å
352	Y	92.2	Very high	93.8	Very high	141 Å²	141	48.7 Å²	48.7	55%	0.553	26%	0.261	S	S	*	.	S	Bend	trans	-103	-30.2	-175.9	-57.4	-72.6	0	0	0	113.8	H347	H347-Y352 HydrophobicContact CB-CD1 4.13Å; H347-Y352 HydrophobicContact CB-CE1 4.06Å; H347-Y352 AromaticContact CG-CD1 3.97Å
353	D	89.6	Confident	93.8	Very high	162 Å²	162	44.6 Å²	44.6	87%	0.866	24%	0.243	S	C	*	.	S	Bend	trans	-109.1	-16.4	-171.5	-59.1	-51.6	0	0	0	113.5
354	E	91.1	Very high	93.9	Very high	73 Å²	73	42.2 Å²	42.2	34%	0.341	23%	0.227	S	C	.	.			trans	-139.2	151.7	-176	63	-178.2	165.6	0	0	111.6	W65 F351 P356	W65-E354 PolarHBondContact NE1-OE1 3.16Å; W65-E354 PolarHBondContact NE1-OE2 3.37Å; W65-E354 VanDerWaalsContact NE1-OE2 3.1Å; F351-E354 HydrophobicContact CD1-CG 4.04Å; E354-P356 HydrophobicContact CG-CG 4.12Å
355	Y	93	Very high	93.8	Very high	98 Å²	98	40.1 Å²	40.1	38%	0.384	21%	0.212	S	C	.	.			trans	-127	69.6	-177.5	-50.4	-73.2	0	0	0	110.7	Y340 P343 Y346	Y340-Y355 PolarHBondContact OH-O 3Å; P343-Y355 HydrophobicContact CB-CE1 3.92Å; P343-Y355 HydrophobicContact CG-CE1 4.5Å; Y346-Y355 HydrophobicContact CD1-CD1 4Å; Y346-Y355 AromaticContact CD2-CD1 3.55Å; Y346-Y355 HydrophobicContact CD2-CD1 3.55Å; Y346-Y355 HydrophobicContact CD2-CE1 4.26Å; Y346-Y355 HydrophobicContact CD2-CG 4.45Å; Y346-Y355 HydrophobicContact CE1-CD1 4.47Å; Y346-Y355 HydrophobicContact CE2-CD1 4.06Å; Y346-Y355 AromaticContact CG-CD1 3.5Å; Y346-Y355 HydrophobicContact CG-CD1 3.5Å; Y346-Y355 HydrophobicContact CG-CE1 4.28Å; Y346-Y355 HydrophobicContact CG-CG 4.45Å
356	P	94.8	Very high	93.7	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.013	24%	0.235	C	C	.	.			trans	-68.7	138.8	-173	-16.6	30.7	0	0	0	112.3	W65 E80 F351 E354 V358 I359 G360	W65-P356 HydrophobicContact CD2-CB 4.4Å; W65-P356 HydrophobicContact CD2-CG 4.04Å; W65-P356 VanDerWaalsContact CE2-CG 3.42Å; W65-P356 HydrophobicContact CE3-CB 4.33Å; W65-P356 HydrophobicContact CE3-CG 4.45Å; W65-P356 HydrophobicContact CH2-CB 3.35Å; W65-P356 HydrophobicContact CH2-CG 3.87Å; W65-P356 HydrophobicContact CZ2-CB 3.38Å; W65-P356 HydrophobicContact CZ2-CG 3.35Å; W65-P356 HydrophobicContact CZ3-CB 3.83Å; W65-P356 HydrophobicContact CZ3-CG 4.36Å; E80-P356 HydrophobicContact CG-CB 4.48Å; F351-P356 HydrophobicContact CD1-CG 4.27Å; F351-P356 HydrophobicContact CE1-CG 4.15Å; E354-P356 HydrophobicContact CG-CG 4.12Å; P356-V358 VanDerWaalsContact C-N 3.35Å; P356-V358 PolarHBondContact O-N 3.02Å; P356-I359 HydrophobicContact CB-CB 4.25Å; P356-I359 HydrophobicContact CB-CG1 3.93Å; P356-I359 HydrophobicContact CG-CB 4.44Å; P356-I359 HydrophobicContact CG-CG1 4.03Å; P356-I359 PolarHBondContact O-N 3.46Å; P356-I359 VanDerWaalsContact O-N 3.11Å; P356-G360 PolarHBondContact O-N 3.3Å
357	V	94.5	Very high	93.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-53.6	-48.6	-176.1	171.6	0	0	0	0	112.3	E80 V147 I150 K151 Y340 I359 G360 L361	E80-V357 WeakPolarHBondContact OE1-CG2 3.39Å; E80-V357 PolarHBondContact OE1-N 3.36Å; V147-V357 HydrophobicContact CG1-CB 4.16Å; V147-V357 HydrophobicContact CG1-CG2 4.29Å; V147-V357 HydrophobicContact CG2-CB 4.28Å; V147-V357 HydrophobicContact CG2-CG1 4.2Å; I150-V357 HydrophobicContact CB-CG1 3.94Å; I150-V357 HydrophobicContact CB-CG2 4.25Å; I150-V357 HydrophobicContact CD1-CG1 3.56Å; I150-V357 HydrophobicContact CG1-CG1 4.34Å; I150-V357 HydrophobicContact CG2-CB 4.48Å; I150-V357 HydrophobicContact CG2-CG1 3.81Å; I150-V357 HydrophobicContact CG2-CG2 3.75Å; K151-V357 HydrophobicContact CG-CG2 3.93Å; Y340-V357 HydrophobicContact CE2-CG2 4.32Å; Y340-V357 WeakPolarHBondContact OH-CG2 3.32Å; V357-I359 VanDerWaalsContact C-N 3.32Å; V357-I359 PolarHBondContact O-N 3.12Å; V357-G360 PolarHBondContact O-N 3.38Å; V357-L361 HydrophobicContact CG1-CD1 3.91Å; V357-L361 HydrophobicContact CG1-CG 4.44Å; V357-L361 WeakPolarHBondContact O-CG 3.36Å; V357-L361 PolarHBondContact O-N 2.97Å
358	V	95.8	Very high	93.6	Very high	20 Å²	20	48.6 Å²	48.6	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-31.4	-177.2	-67.3	0	0	0	0	113.1	W65 S84 V88 V143 V147 P356 G362	W65-V358 HydrophobicContact CE3-CG2 4.38Å; W65-V358 HydrophobicContact CH2-CG2 4.4Å; W65-V358 HydrophobicContact CZ3-CG2 3.6Å; S84-V358 WeakPolarHBondContact OG-CG2 3.44Å; V88-V358 HydrophobicContact CG2-CB 4.39Å; V88-V358 HydrophobicContact CG2-CG1 4.26Å; V143-V358 HydrophobicContact CG1-CG1 3.96Å; V147-V358 HydrophobicContact CG2-CG1 3.55Å; P356-V358 VanDerWaalsContact C-N 3.35Å; P356-V358 PolarHBondContact O-N 3.02Å; V358-G362 PolarHBondContact O-N 2.89Å
359	I	95.4	Very high	93.7	Very high	19 Å²	19	45.8 Å²	45.8	10%	0.097	23%	0.226	C	C	.	.	H	α-helix	trans	-70	-46.9	174.8	-60.2	-58.1	0	0	0	109.2	I61 W65 Y346 F351 P356 V357 L361 G362 V363	I61-I359 HydrophobicContact CG2-CD1 3.87Å; W65-I359 HydrophobicContact CD2-CG1 4.33Å; W65-I359 HydrophobicContact CE3-CD1 4.08Å; W65-I359 HydrophobicContact CE3-CG1 3.95Å; W65-I359 HydrophobicContact CZ3-CG1 4.4Å; Y346-I359 HydrophobicContact CD1-CG2 4.38Å; F351-I359 HydrophobicContact CD2-CG2 3.77Å; F351-I359 HydrophobicContact CE1-CG1 3.94Å; F351-I359 HydrophobicContact CE1-CG2 4.3Å; F351-I359 HydrophobicContact CE2-CB 4.5Å; F351-I359 HydrophobicContact CE2-CD1 4.34Å; F351-I359 HydrophobicContact CE2-CG1 4.27Å; F351-I359 HydrophobicContact CE2-CG2 3.51Å; F351-I359 HydrophobicContact CG-CG2 4.29Å; F351-I359 HydrophobicContact CZ-CB 4.32Å; F351-I359 HydrophobicContact CZ-CD1 3.79Å; F351-I359 HydrophobicContact CZ-CG1 3.66Å; F351-I359 HydrophobicContact CZ-CG2 3.8Å; P356-I359 HydrophobicContact CB-CB 4.25Å; P356-I359 HydrophobicContact CB-CG1 3.93Å; P356-I359 HydrophobicContact CG-CB 4.44Å; P356-I359 HydrophobicContact CG-CG1 4.03Å; P356-I359 PolarHBondContact O-N 3.46Å; P356-I359 VanDerWaalsContact O-N 3.11Å; V357-I359 VanDerWaalsContact C-N 3.32Å; V357-I359 PolarHBondContact O-N 3.12Å; I359-L361 VanDerWaalsContact C-N 3.32Å; I359-L361 PolarHBondContact O-N 2.81Å; I359-G362 PolarHBondContact O-N 2.9Å; I359-V363 HydrophobicContact CG2-CG2 4.28Å; I359-V363 WeakPolarHBondContact O-CB 3.44Å; I359-V363 WeakPolarHBondContact O-CG2 3.49Å; I359-V363 PolarHBondContact O-N 2.9Å
360	G	95.2	Very high	93.8	Very high	1 Å²	1	46 Å²	46	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-43.8	174.9	0	0	0	0	0	112.8	Y346 P356 V357 V363 I364	Y346-G360 WeakPolarHBondContact OH-CA 3.24Å; P356-G360 PolarHBondContact O-N 3.3Å; V357-G360 PolarHBondContact O-N 3.38Å; G360-V363 PolarHBondContact O-N 3.38Å; G360-I364 WeakPolarHBondContact O-CB 3.19Å; G360-I364 WeakPolarHBondContact O-CD1 3.48Å; G360-I364 VanDerWaalsContact O-CG1 3.31Å; G360-I364 WeakPolarHBondContact O-CG1 3.38Å; G360-I364 PolarHBondContact O-N 3.44Å
361	L	94.9	Very high	93.8	Very high	18 Å²	18	49.8 Å²	49.8	9%	0.094	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-47.8	175	-78	167.9	0	0	0	111.2	L146 I150 F336 V357 I359 L365	L146-L361 HydrophobicContact CD2-CD1 3.8Å; L146-L361 HydrophobicContact CG-CD1 4.29Å; I150-L361 HydrophobicContact CD1-CD1 4.02Å; F336-L361 HydrophobicContact CD1-CD2 4.05Å; F336-L361 HydrophobicContact CD2-CD2 3.55Å; F336-L361 HydrophobicContact CD2-CG 4.09Å; F336-L361 HydrophobicContact CE1-CD2 4.02Å; F336-L361 HydrophobicContact CE1-CG 4.44Å; F336-L361 HydrophobicContact CE2-CB 4.24Å; F336-L361 HydrophobicContact CE2-CD2 3.51Å; F336-L361 HydrophobicContact CE2-CG 3.56Å; F336-L361 HydrophobicContact CG-CD2 3.82Å; F336-L361 HydrophobicContact CZ-CD2 3.74Å; F336-L361 HydrophobicContact CZ-CG 3.75Å; V357-L361 HydrophobicContact CG1-CD1 3.91Å; V357-L361 HydrophobicContact CG1-CG 4.44Å; V357-L361 WeakPolarHBondContact O-CG 3.36Å; V357-L361 PolarHBondContact O-N 2.97Å; I359-L361 VanDerWaalsContact C-N 3.32Å; I359-L361 PolarHBondContact O-N 2.81Å; L361-L365 HydrophobicContact CD2-CD1 4.04Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 3.39Å
362	G	94.3	Very high	93.8	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-50.9	176.5	0	0	0	0	0	111.9	V358 I359 I364 Q366	V358-G362 PolarHBondContact O-N 2.89Å; I359-G362 PolarHBondContact O-N 2.9Å; G362-I364 PolarHBondContact O-N 2.96Å; G362-Q366 WeakPolarHBondContact O-CB 3.27Å; G362-Q366 WeakPolarHBondContact O-CG 3.21Å; G362-Q366 PolarHBondContact O-N 3.41Å
363	V	93.9	Very high	93.8	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.03	26%	0.264	C	S	.	.	I	π-helix	trans	-57	-53	179.9	170.3	0	0	0	0	111.6	L345 F349 I359 G360 F367 I368	L345-V363 HydrophobicContact CB-CG1 4.31Å; F349-V363 HydrophobicContact CB-CG2 4.33Å; F349-V363 HydrophobicContact CD1-CG2 4.09Å; F349-V363 HydrophobicContact CD2-CB 4.48Å; F349-V363 HydrophobicContact CD2-CG1 3.86Å; F349-V363 HydrophobicContact CD2-CG2 3.72Å; F349-V363 HydrophobicContact CE1-CG2 4.29Å; F349-V363 HydrophobicContact CE2-CB 4.34Å; F349-V363 HydrophobicContact CE2-CG1 3.51Å; F349-V363 HydrophobicContact CE2-CG2 3.97Å; F349-V363 HydrophobicContact CG-CG2 3.79Å; F349-V363 HydrophobicContact CZ-CG1 4.1Å; F349-V363 HydrophobicContact CZ-CG2 4.23Å; I359-V363 HydrophobicContact CG2-CG2 4.28Å; I359-V363 WeakPolarHBondContact O-CB 3.44Å; I359-V363 WeakPolarHBondContact O-CG2 3.49Å; I359-V363 PolarHBondContact O-N 2.9Å; G360-V363 PolarHBondContact O-N 3.38Å; V363-F367 WeakPolarHBondContact O-CB 3.3Å; V363-F367 PolarHBondContact O-N 3.15Å; V363-F367 VanDerWaalsContact O-N 3.13Å; V363-I368 HydrophobicContact CG1-CG1 4.38Å; V363-I368 PolarHBondContact O-N 3.03Å; V363-I368 VanDerWaalsContact O-N 3.16Å
364	I	95.1	Very high	93.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.249	C	C	.	.	I	π-helix	trans	-71.1	-47.2	-174	-66.8	162.2	0	0	0	111.1	V335 F336 L339 L345 G360 G362 I368 L369	V335-I364 HydrophobicContact CG1-CG2 4.41Å; F336-I364 HydrophobicContact CD2-CB 4.38Å; F336-I364 HydrophobicContact CD2-CD1 3.61Å; F336-I364 HydrophobicContact CE2-CD1 4.08Å; L339-I364 HydrophobicContact CB-CD1 3.76Å; L339-I364 HydrophobicContact CB-CG1 4.18Å; L339-I364 HydrophobicContact CD1-CG2 4.16Å; L345-I364 HydrophobicContact CD1-CD1 4.25Å; L345-I364 HydrophobicContact CD1-CG1 3.99Å; G360-I364 WeakPolarHBondContact O-CB 3.19Å; G360-I364 WeakPolarHBondContact O-CD1 3.48Å; G360-I364 VanDerWaalsContact O-CG1 3.31Å; G360-I364 WeakPolarHBondContact O-CG1 3.38Å; G360-I364 PolarHBondContact O-N 3.44Å; G362-I364 PolarHBondContact O-N 2.96Å; I364-I368 WeakPolarHBondContact O-CB 3.45Å; I364-I368 PolarHBondContact O-N 3.11Å; I364-L369 HydrophobicContact CG2-CD1 4.46Å; I364-L369 WeakPolarHBondContact O-CB 3.48Å; I364-L369 PolarHBondContact O-N 3.33Å
365	L	93.9	Very high	93.9	Very high	58 Å²	58	49.2 Å²	49.2	30%	0.304	26%	0.259	S	S	.	.	I	π-helix	trans	-75.9	-38.2	-173.9	-59	-179	0	0	0	112.5	H332 L361 L369	H332-L365 HydrophobicContact CB-CD2 3.86Å; L361-L365 HydrophobicContact CD2-CD1 4.04Å; L361-L365 WeakPolarHBondContact O-CB 3.36Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 3.39Å; L365-L369 HydrophobicContact CD2-CD1 3.97Å
366	Q	92.2	Very high	93.9	Very high	134 Å²	134	48.3 Å²	48.3	63%	0.626	26%	0.26	S	S	*	.	I	π-helix	trans	-90.6	-36.8	-174.5	-60.7	-177.2	-20.8	0	0	113.6	G362 A370	G362-Q366 WeakPolarHBondContact O-CB 3.27Å; G362-Q366 WeakPolarHBondContact O-CG 3.21Å; G362-Q366 PolarHBondContact O-N 3.41Å; Q366-A370 VanDerWaalsContact O-CB 3.24Å; Q366-A370 WeakPolarHBondContact O-CB 3.47Å
367	F	92.3	Very high	93.8	Very high	68 Å²	68	49.7 Å²	49.7	30%	0.298	28%	0.275	S	S	.	.	I	π-helix	trans	-105.1	-46.4	-174.6	-58.5	-74.4	0	0	0	112.6	T52 L56 F349 V363	T52-F367 HydrophobicContact CG2-CE1 4.4Å; L56-F367 HydrophobicContact CD1-CE1 4.17Å; L56-F367 HydrophobicContact CD2-CE1 4.31Å; L56-F367 HydrophobicContact CD2-CZ 4.04Å; F349-F367 AromaticContact CE1-CD2 3.55Å; F349-F367 HydrophobicContact CE1-CD2 3.55Å; F349-F367 AromaticContact CE1-CE2 3.63Å; F349-F367 HydrophobicContact CE1-CE2 3.63Å; F349-F367 HydrophobicContact CE1-CG 4.05Å; F349-F367 HydrophobicContact CE1-CZ 4.2Å; F349-F367 HydrophobicContact CZ-CB 4.01Å; F349-F367 AromaticContact CZ-CD2 3.59Å; F349-F367 HydrophobicContact CZ-CD2 3.59Å; F349-F367 HydrophobicContact CZ-CE2 4.17Å; F349-F367 AromaticContact CZ-CG 3.8Å; F349-F367 HydrophobicContact CZ-CG 3.8Å; V363-F367 WeakPolarHBondContact O-CB 3.3Å; V363-F367 PolarHBondContact O-N 3.15Å; V363-F367 VanDerWaalsContact O-N 3.13Å
368	I	94.2	Very high	93.7	Very high	73 Å²	73	51.3 Å²	51.3	37%	0.374	29%	0.285	S	S	.	.	I	π-helix	trans	-73.4	-44.3	-177.5	-54.9	-57.4	0	0	0	111.5	L339 L345 V363 I364 A370	L339-I368 HydrophobicContact CD1-CG2 4.07Å; L345-I368 HydrophobicContact CD2-CD1 3.86Å; L345-I368 HydrophobicContact CD2-CG1 4.11Å; V363-I368 HydrophobicContact CG1-CG1 4.38Å; V363-I368 PolarHBondContact O-N 3.03Å; V363-I368 VanDerWaalsContact O-N 3.16Å; I364-I368 WeakPolarHBondContact O-CB 3.45Å; I364-I368 PolarHBondContact O-N 3.11Å; I368-A370 VanDerWaalsContact C-N 3.34Å
369	L	95.3	Very high	93.6	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.089	31%	0.305	C	S	.	.	S	Bend	trans	-85.3	-0.9	179.6	-72.4	179.7	0	0	0	114.2	H332 V335 I364 L365 V372 T373	H332-L369 HydrophobicContact CB-CD1 4.49Å; H332-L369 VanDerWaalsContact CD2-CD1 3.41Å; H332-L369 WeakPolarHBondContact CD2-CD1 3.29Å; V335-L369 HydrophobicContact CB-CD1 4.25Å; V335-L369 HydrophobicContact CG1-CD1 4.13Å; V335-L369 HydrophobicContact CG1-CD2 3.99Å; V335-L369 HydrophobicContact CG1-CG 4.3Å; I364-L369 HydrophobicContact CG2-CD1 4.46Å; I364-L369 WeakPolarHBondContact O-CB 3.48Å; I364-L369 PolarHBondContact O-N 3.33Å; L365-L369 HydrophobicContact CD2-CD1 3.97Å; L369-V372 HydrophobicContact CD2-CG2 4.48Å; L369-V372 PolarHBondContact O-N 3.1Å; L369-V372 VanDerWaalsContact O-N 3.14Å; L369-T373 HydrophobicContact CB-CG2 4.36Å; L369-T373 WeakPolarHBondContact O-CG2 3.19Å; L369-T373 PolarHBondContact O-N 3.25Å; L369-T373 PolarHBondContact O-OG1 3.41Å; L369-T373 VanDerWaalsContact O-OG1 3.05Å
370	A	93.8	Very high	93.5	Very high	34 Å²	34	58.2 Å²	58.2	28%	0.281	32%	0.318	S	S	.	.	H	α-helix	trans	-52.3	-49.9	-178.5	0	0	0	0	0	113	Q366 I368 V372 T373 E374	Q366-A370 VanDerWaalsContact O-CB 3.24Å; Q366-A370 WeakPolarHBondContact O-CB 3.47Å; I368-A370 VanDerWaalsContact C-N 3.34Å; A370-V372 VanDerWaalsContact C-N 3.3Å; A370-V372 PolarHBondContact O-N 2.97Å; A370-T373 WeakPolarHBondContact CA-OG1 3.43Å; A370-T373 PolarHBondContact O-N 3.45Å; A370-T373 PolarHBondContact O-OG1 3.5Å; A370-E374 WeakPolarHBondContact O-CG 3.48Å; A370-E374 PolarHBondContact O-N 3.24Å
371	P	94.3	Very high	93.4	Very high	94 Å²	94	59.1 Å²	59.1	61%	0.61	32%	0.324	S	S	*	.	H	α-helix	trans	-63.9	-34.9	-178.9	-22.5	35.1	0	0	0	113.4	F375	P371-F375 PolarHBondContact O-N 3Å
372	V	93.6	Very high	93.4	Very high	80 Å²	80	60.7 Å²	60.7	49%	0.485	34%	0.339	S	S	.	.	H	α-helix	trans	-71.8	-44.9	179.2	178.8	0	0	0	0	110.3	L369 A370 F375 L376	L369-V372 HydrophobicContact CD2-CG2 4.48Å; L369-V372 PolarHBondContact O-N 3.1Å; L369-V372 VanDerWaalsContact O-N 3.14Å; A370-V372 VanDerWaalsContact C-N 3.3Å; A370-V372 PolarHBondContact O-N 2.97Å; V372-F375 PolarHBondContact O-N 2.88Å; V372-L376 HydrophobicContact CG1-CD1 4.04Å; V372-L376 HydrophobicContact CG1-CG 4.43Å; V372-L376 WeakPolarHBondContact O-CG 3.14Å; V372-L376 PolarHBondContact O-N 3.41Å
373	T	92.6	Very high	93.4	Very high	48 Å²	48	63.3 Å²	63.3	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-41.1	179.7	52.4	0	0	0	0	112.1	H332 L369 A370 L376 G377	H332-T373 WeakPolarHBondContact NE2-CG2 3.38Å; L369-T373 HydrophobicContact CB-CG2 4.36Å; L369-T373 WeakPolarHBondContact O-CG2 3.19Å; L369-T373 PolarHBondContact O-N 3.25Å; L369-T373 PolarHBondContact O-OG1 3.41Å; L369-T373 VanDerWaalsContact O-OG1 3.05Å; A370-T373 WeakPolarHBondContact CA-OG1 3.43Å; A370-T373 PolarHBondContact O-N 3.45Å; A370-T373 PolarHBondContact O-OG1 3.5Å; T373-L376 PolarHBondContact O-N 3.3Å; T373-G377 PolarHBondContact O-N 2.92Å
374	E	91.8	Very high	93.5	Very high	115 Å²	115	64.2 Å²	64.2	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-59.3	-46.9	173.5	-75.3	-61.3	143	0	0	111.9	A370 L376 G377 V378	A370-E374 WeakPolarHBondContact O-CG 3.48Å; A370-E374 PolarHBondContact O-N 3.24Å; E374-L376 PolarHBondContact O-N 2.89Å; E374-G377 PolarHBondContact O-N 2.99Å; E374-V378 PolarHBondContact O-N 3.27Å
375	F	92	Very high	93.5	Very high	127 Å²	127	66.3 Å²	66.3	56%	0.557	36%	0.358	S	S	*	.	H	α-helix	trans	-63.3	-43.9	178.2	-177.2	-97.8	0	0	0	112.5	P371 V372 G377 V378 M379	P371-F375 PolarHBondContact O-N 3Å; V372-F375 PolarHBondContact O-N 2.88Å; F375-G377 VanDerWaalsContact C-N 3.27Å; F375-G377 PolarHBondContact O-N 3.38Å; F375-V378 PolarHBondContact O-N 3.28Å; F375-M379 HydrophobicContact CD1-SD 4.25Å; F375-M379 HydrophobicContact CE1-CE 4.03Å; F375-M379 HydrophobicContact CE1-CG 4.25Å; F375-M379 HydrophobicContact CE1-SD 3.68Å; F375-M379 HydrophobicContact CZ-CE 4.29Å; F375-M379 HydrophobicContact CZ-SD 4.39Å; F375-M379 PolarHBondContact O-N 3.2Å
376	L	92.4	Very high	93.6	Very high	79 Å²	79	70.8 Å²	70.8	41%	0.414	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-35.4	175	-71.4	175.2	0	0	0	111.9	V372 T373 E374 V378 M379 L380	V372-L376 HydrophobicContact CG1-CD1 4.04Å; V372-L376 HydrophobicContact CG1-CG 4.43Å; V372-L376 WeakPolarHBondContact O-CG 3.14Å; V372-L376 PolarHBondContact O-N 3.41Å; T373-L376 PolarHBondContact O-N 3.3Å; E374-L376 PolarHBondContact O-N 2.89Å; L376-V378 VanDerWaalsContact C-N 3.32Å; L376-V378 PolarHBondContact O-N 3.42Å; L376-M379 PolarHBondContact O-N 3.42Å; L376-L380 WeakPolarHBondContact O-CB 3.34Å; L376-L380 PolarHBondContact O-N 3.05Å
377	G	92	Very high	93.9	Very high	31 Å²	31	64.8 Å²	64.8	32%	0.32	35%	0.347	S	S	.	.	H	α-helix	trans	-56.8	-43.6	175	0	0	0	0	0	112.4	T373 E374 F375 L380 V381	T373-G377 PolarHBondContact O-N 2.92Å; E374-G377 PolarHBondContact O-N 2.99Å; F375-G377 VanDerWaalsContact C-N 3.27Å; F375-G377 PolarHBondContact O-N 3.38Å; G377-L380 WeakPolarHBondContact O-CB 3.29Å; G377-L380 PolarHBondContact O-N 2.87Å; G377-V381 WeakPolarHBondContact O-CG2 3.18Å; G377-V381 PolarHBondContact O-N 3.33Å
378	V	92.8	Very high	94.1	Very high	33 Å²	33	62.2 Å²	62.2	20%	0.2	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-42.6	177.2	-179	0	0	0	0	112	E374 F375 L376 L380 V381 A382 W428	E374-V378 PolarHBondContact O-N 3.27Å; F375-V378 PolarHBondContact O-N 3.28Å; L376-V378 VanDerWaalsContact C-N 3.32Å; L376-V378 PolarHBondContact O-N 3.42Å; V378-L380 VanDerWaalsContact C-N 3.3Å; V378-L380 PolarHBondContact O-N 3.27Å; V378-V381 PolarHBondContact O-N 3.24Å; V378-A382 PolarHBondContact O-N 3.03Å; V378-W428 HydrophobicContact CB-CE3 4.42Å; V378-W428 HydrophobicContact CG1-CE3 4.11Å; V378-W428 HydrophobicContact CG1-CZ3 4.39Å; V378-W428 HydrophobicContact CG2-CD2 3.28Å; V378-W428 HydrophobicContact CG2-CE3 3.4Å; V378-W428 VanDerWaalsContact CG2-CE3 3.4Å; V378-W428 HydrophobicContact CG2-CG 3.95Å; V378-W428 HydrophobicContact CG2-CH2 3.53Å; V378-W428 HydrophobicContact CG2-CZ2 3.39Å; V378-W428 HydrophobicContact CG2-CZ3 3.53Å
379	M	93.2	Very high	94.3	Very high	113 Å²	113	61 Å²	61	56%	0.557	33%	0.328	S	S	*	.	H	α-helix	trans	-61.9	-41.3	175.7	-65.5	-171.9	123.8	0	0	111.3	F375 L376 A382 F383	F375-M379 HydrophobicContact CD1-SD 4.25Å; F375-M379 HydrophobicContact CE1-CE 4.03Å; F375-M379 HydrophobicContact CE1-CG 4.25Å; F375-M379 HydrophobicContact CE1-SD 3.68Å; F375-M379 HydrophobicContact CZ-CE 4.29Å; F375-M379 HydrophobicContact CZ-SD 4.39Å; F375-M379 PolarHBondContact O-N 3.2Å; L376-M379 PolarHBondContact O-N 3.42Å; M379-A382 PolarHBondContact O-N 2.92Å; M379-F383 PolarHBondContact O-N 2.97Å; M379-F383 VanDerWaalsContact O-N 3.09Å
380	L	93.1	Very high	94.4	Very high	71 Å²	71	61 Å²	61	37%	0.372	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.3	-177.4	61.9	0	0	0	111.3	I324 L376 G377 V378 A382 F383 T384	I324-L380 HydrophobicContact CD1-CD1 4.46Å; L376-L380 WeakPolarHBondContact O-CB 3.34Å; L376-L380 PolarHBondContact O-N 3.05Å; G377-L380 WeakPolarHBondContact O-CB 3.29Å; G377-L380 PolarHBondContact O-N 2.87Å; V378-L380 VanDerWaalsContact C-N 3.3Å; V378-L380 PolarHBondContact O-N 3.27Å; L380-A382 VanDerWaalsContact C-N 3.33Å; L380-A382 PolarHBondContact O-N 3.09Å; L380-F383 CarbonylContact O-C 3.6Å; L380-F383 WeakPolarHBondContact O-CA 3.33Å; L380-F383 WeakPolarHBondContact O-CB 3.36Å; L380-F383 PolarHBondContact O-N 3.5Å; L380-T384 HydrophobicContact CD1-CG2 4.35Å; L380-T384 HydrophobicContact CG-CG2 4.39Å; L380-T384 WeakPolarHBondContact O-CG2 3.5Å; L380-T384 PolarHBondContact O-N 3.43Å
381	V	94.2	Very high	94.6	Very high	21 Å²	21	59.4 Å²	59.4	13%	0.127	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-44.4	175.2	166.8	0	0	0	0	111.5	G377 V378 F383 T384 R385 A427 H430	G377-V381 WeakPolarHBondContact O-CG2 3.18Å; G377-V381 PolarHBondContact O-N 3.33Å; V378-V381 PolarHBondContact O-N 3.24Å; V381-F383 VanDerWaalsContact C-N 3.26Å; V381-F383 PolarHBondContact O-N 3.46Å; V381-T384 PolarHBondContact O-N 2.91Å; V381-T384 PolarHBondContact O-OG1 3.16Å; V381-R385 VanDerWaalsContact O-CG 3.3Å; V381-R385 WeakPolarHBondContact O-CG 3.19Å; V381-R385 PolarHBondContact O-N 2.93Å; V381-A427 WeakPolarHBondContact CG1-O 3.46Å; V381-H430 VanDerWaalsContact CG1-O 3.28Å; V381-H430 WeakPolarHBondContact CG1-O 2.93Å
382	A	94	Very high	94.8	Very high	50 Å²	50	55 Å²	55	41%	0.413	29%	0.289	S	S	.	.	H	α-helix	trans	-61.9	-35.3	175.8	0	0	0	0	0	112.4	V378 M379 L380 K386	V378-A382 PolarHBondContact O-N 3.03Å; M379-A382 PolarHBondContact O-N 2.92Å; L380-A382 VanDerWaalsContact C-N 3.33Å; L380-A382 PolarHBondContact O-N 3.09Å; A382-K386 PolarHBondContact O-N 3.23Å
383	F	94.6	Very high	95	Very high	78 Å²	78	56.4 Å²	56.4	34%	0.342	29%	0.285	S	S	.	.	H	α-helix	trans	-71.9	-45	177	-172.8	-125.3	0	0	0	112.4	Y320 I324 M379 L380 V381 R385 K386 M387	Y320-F383 HydrophobicContact CG-CZ 4.46Å; I324-F383 HydrophobicContact CD1-CD1 3.81Å; I324-F383 HydrophobicContact CD1-CE1 3.53Å; M379-F383 PolarHBondContact O-N 2.97Å; M379-F383 VanDerWaalsContact O-N 3.09Å; L380-F383 CarbonylContact O-C 3.6Å; L380-F383 WeakPolarHBondContact O-CA 3.33Å; L380-F383 WeakPolarHBondContact O-CB 3.36Å; L380-F383 PolarHBondContact O-N 3.5Å; V381-F383 VanDerWaalsContact C-N 3.26Å; V381-F383 PolarHBondContact O-N 3.46Å; F383-R385 VanDerWaalsContact C-N 3.32Å; F383-R385 PolarHBondContact O-N 2.9Å; F383-K386 WeakPolarHBondContact O-CB 3.19Å; F383-K386 PolarHBondContact O-N 3.47Å; F383-K386 VanDerWaalsContact O-N 3.13Å; F383-M387 HydrophobicContact CD1-CE 3.65Å; F383-M387 HydrophobicContact CE1-CE 3.04Å; F383-M387 HydrophobicContact CE1-SD 4.38Å; F383-M387 HydrophobicContact CE2-CE 4.2Å; F383-M387 HydrophobicContact CG-CE 4.46Å; F383-M387 HydrophobicContact CZ-CE 3.37Å; F383-M387 PolarHBondContact O-N 3.16Å; F383-M387 VanDerWaalsContact O-N 3.15Å
384	T	95.1	Very high	95.2	Very high	24 Å²	24	55.7 Å²	55.7	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-39.1	177.1	61.9	0	0	0	0	111.4	L380 V381 K386 M387 E388 S431	L380-T384 HydrophobicContact CD1-CG2 4.35Å; L380-T384 HydrophobicContact CG-CG2 4.39Å; L380-T384 WeakPolarHBondContact O-CG2 3.5Å; L380-T384 PolarHBondContact O-N 3.43Å; V381-T384 PolarHBondContact O-N 2.91Å; V381-T384 PolarHBondContact O-OG1 3.16Å; T384-K386 VanDerWaalsContact C-N 3.26Å; T384-K386 PolarHBondContact O-N 2.81Å; T384-M387 WeakPolarHBondContact O-CA 3.3Å; T384-M387 VanDerWaalsContact O-CB 3.29Å; T384-M387 WeakPolarHBondContact O-CB 3.42Å; T384-M387 PolarHBondContact O-N 3.4Å; T384-E388 WeakPolarHBondContact O-CG 3.23Å; T384-E388 PolarHBondContact O-N 3.47Å; T384-S431 WeakPolarHBondContact OG1-CA 3.4Å; T384-S431 PolarHBondContact OG1-O 3.2Å
385	R	96.2	Very high	95.5	Very high	45 Å²	45	50.2 Å²	50.2	17%	0.17	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-36.9	175	-73.2	179.1	73.2	-165.4	4.4	112.7	V381 F383 F389 H430 S431 P433 E437	V381-R385 VanDerWaalsContact O-CG 3.3Å; V381-R385 WeakPolarHBondContact O-CG 3.19Å; V381-R385 PolarHBondContact O-N 2.93Å; F383-R385 VanDerWaalsContact C-N 3.32Å; F383-R385 PolarHBondContact O-N 2.9Å; R385-F389 WeakPolarHBondContact O-CD2 3.28Å; R385-F389 PolarHBondContact O-N 3.41Å; R385-H430 WeakPolarHBondContact CD-O 3.1Å; R385-H430 WeakPolarHBondContact CG-O 3.12Å; R385-S431 PolarHBondContact N-O 3.03Å; R385-P433 HydrophobicContact CB-CG 4.02Å; R385-P433 HydrophobicContact CG-CG 4.2Å; R385-E437 IonicContact NH2-OE1 2.68Å; R385-E437 PolarHBondContact NH2-OE1 3.46Å; R385-E437 VanDerWaalsContact NH2-OE1 3.1Å; R385-E437 IonicContact NH2-OE2 3.1Å; R385-E437 PolarHBondContact NH2-OE2 3.48Å; R385-E437 VanDerWaalsContact NH2-OE2 3.15Å
386	K	96.3	Very high	95.7	Very high	152 Å²	152	45 Å²	45	66%	0.661	23%	0.233	S	C	*	.	H	α-helix	trans	-68	-37.9	174.5	-71.2	177.7	179.3	178.6	0	112.1	A382 F383 T384 F389 A390	A382-K386 PolarHBondContact O-N 3.23Å; F383-K386 WeakPolarHBondContact O-CB 3.19Å; F383-K386 PolarHBondContact O-N 3.47Å; F383-K386 VanDerWaalsContact O-N 3.13Å; T384-K386 VanDerWaalsContact C-N 3.26Å; T384-K386 PolarHBondContact O-N 2.81Å; K386-F389 PolarHBondContact O-N 3.45Å; K386-A390 PolarHBondContact O-N 3.1Å; K386-A390 VanDerWaalsContact O-N 3.1Å
387	M	97.6	Very high	95.9	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-43.3	175.3	-68.8	-178.2	168.6	0	0	111.7	H317 Y320 F383 T384 F389 A390 A391	H317-M387 HydrophobicContact CB-CB 4.48Å; H317-M387 HydrophobicContact CB-CE 4.11Å; H317-M387 HydrophobicContact CB-CG 4.24Å; H317-M387 HydrophobicContact CB-SD 3.61Å; H317-M387 PolarHBondContact CE1-O 2.71Å; Y320-M387 HydrophobicContact CD2-CE 4.05Å; Y320-M387 HydrophobicContact CG-CE 4.36Å; F383-M387 HydrophobicContact CD1-CE 3.65Å; F383-M387 HydrophobicContact CE1-CE 3.04Å; F383-M387 HydrophobicContact CE1-SD 4.38Å; F383-M387 HydrophobicContact CE2-CE 4.2Å; F383-M387 HydrophobicContact CG-CE 4.46Å; F383-M387 HydrophobicContact CZ-CE 3.37Å; F383-M387 PolarHBondContact O-N 3.16Å; F383-M387 VanDerWaalsContact O-N 3.15Å; T384-M387 WeakPolarHBondContact O-CA 3.3Å; T384-M387 VanDerWaalsContact O-CB 3.29Å; T384-M387 WeakPolarHBondContact O-CB 3.42Å; T384-M387 PolarHBondContact O-N 3.4Å; M387-F389 PolarHBondContact O-N 2.93Å; M387-A390 WeakPolarHBondContact O-CB 3.47Å; M387-A390 PolarHBondContact O-N 2.93Å; M387-A390 VanDerWaalsContact O-N 3.08Å; M387-A391 PolarHBondContact O-N 3.35Å
388	E	97.6	Very high	96.1	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-49.4	176.8	-69.4	-64.8	130.9	0	0	112.1	H308 H312 T384 A390 A391 D392 H432 P433 R438	H308-E388 IonicContact CE1-OE2 3.34Å; H308-E388 PolarHBondContact CE1-OE2 3.42Å; H308-E388 IonicContact NE2-OE2 3.49Å; H312-E388 IonicContact CE1-OE1 3.16Å; H312-E388 PolarHBondContact CE1-OE1 2.92Å; H312-E388 IonicContact NE2-OE1 3.39Å; H312-E388 PolarHBondContact NE2-OE1 3.48Å; T384-E388 WeakPolarHBondContact O-CG 3.23Å; T384-E388 PolarHBondContact O-N 3.47Å; E388-A390 VanDerWaalsContact C-N 3.25Å; E388-A390 PolarHBondContact O-N 3.36Å; E388-A391 PolarHBondContact O-N 2.9Å; E388-D392 PolarHBondContact O-N 3.22Å; E388-H432 IonicContact OE1-CE1 3.74Å; E388-H432 PolarHBondContact OE1-CE1 3.13Å; E388-H432 VanDerWaalsContact OE1-CE1 3.23Å; E388-H432 IonicContact OE1-ND1 3.31Å; E388-H432 PolarHBondContact OE1-ND1 2.84Å; E388-H432 IonicContact OE2-CE1 2.71Å; E388-H432 PolarHBondContact OE2-CE1 3.22Å; E388-H432 IonicContact OE2-CG 2.84Å; E388-H432 IonicContact OE2-ND1 2.58Å; E388-H432 PolarHBondContact OE2-ND1 3.36Å; E388-P433 HydrophobicContact CB-CG 4.18Å; E388-R438 IonicContact OE2-CZ 2.84Å; E388-R438 IonicContact OE2-NH1 3.99Å; E388-R438 PolarHBondContact OE2-NH1 3.22Å; E388-R438 IonicContact OE2-NH2 3.36Å
389	F	97.6	Very high	96.2	Very high	46 Å²	46	48.3 Å²	48.3	20%	0.202	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-33.3	175.8	-71	-60	0	0	0	112.7	R385 K386 M387 R393 P433 E437 R438 A441	R385-F389 WeakPolarHBondContact O-CD2 3.28Å; R385-F389 PolarHBondContact O-N 3.41Å; K386-F389 PolarHBondContact O-N 3.45Å; M387-F389 PolarHBondContact O-N 2.93Å; F389-R393 WeakPolarHBondContact O-CB 3.25Å; F389-R393 WeakPolarHBondContact O-CG 3.46Å; F389-R393 PolarHBondContact O-N 3.26Å; F389-R393 PolarHBondContact O-NH1 2.92Å; F389-P433 HydrophobicContact CD1-CG 4.44Å; F389-P433 HydrophobicContact CD2-CG 3.88Å; F389-P433 HydrophobicContact CE1-CB 4.02Å; F389-P433 HydrophobicContact CE1-CG 4.03Å; F389-P433 HydrophobicContact CE2-CB 3.83Å; F389-P433 HydrophobicContact CE2-CG 3.41Å; F389-P433 VanDerWaalsContact CE2-CG 3.41Å; F389-P433 HydrophobicContact CG-CG 4.38Å; F389-P433 HydrophobicContact CZ-CB 3.43Å; F389-P433 VanDerWaalsContact CZ-CB 3.43Å; F389-P433 HydrophobicContact CZ-CG 3.49Å; F389-P433 VanDerWaalsContact CZ-CG 3.49Å; F389-E437 HydrophobicContact CE1-CB 4.39Å; F389-E437 HydrophobicContact CZ-CB 4.11Å; F389-R438 HydrophobicContact CE1-CG 4.31Å; F389-A441 HydrophobicContact CD1-CB 3.67Å; F389-A441 HydrophobicContact CE1-CB 3.74Å
390	A	97.9	Very high	96.3	Very high	19 Å²	19	44 Å²	44	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-37.5	177	0	0	0	0	0	112.1	L315 K386 M387 E388 R393 F394	L315-A390 HydrophobicContact CD1-CB 3.76Å; K386-A390 PolarHBondContact O-N 3.1Å; K386-A390 VanDerWaalsContact O-N 3.1Å; M387-A390 WeakPolarHBondContact O-CB 3.47Å; M387-A390 PolarHBondContact O-N 2.93Å; M387-A390 VanDerWaalsContact O-N 3.08Å; E388-A390 VanDerWaalsContact C-N 3.25Å; E388-A390 PolarHBondContact O-N 3.36Å; A390-R393 VanDerWaalsContact CA-NH2 3.33Å; A390-R393 PolarHBondContact O-N 2.92Å; A390-F394 WeakPolarHBondContact O-CB 3.31Å; A390-F394 PolarHBondContact O-N 2.84Å
391	A	98	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-39.9	173.7	0	0	0	0	0	112.2	H312 M387 E388 F394 S395	H312-A391 VanDerWaalsContact NE2-CB 3.31Å; H312-A391 WeakPolarHBondContact NE2-CB 3.02Å; M387-A391 PolarHBondContact O-N 3.35Å; E388-A391 PolarHBondContact O-N 2.9Å; A391-F394 WeakPolarHBondContact O-CB 3.34Å; A391-F394 PolarHBondContact O-N 3.05Å; A391-S395 PolarHBondContact O-N 3.18Å
392	D	98.1	Very high	96.5	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-48.3	172	-75.8	-16.1	0	0	0	111.8	H308 E388 F394 S395 A396 R438 L442	H308-D392 IonicContact CE1-OD1 2.79Å; H308-D392 PolarHBondContact CE1-OD1 3.31Å; H308-D392 IonicContact CG-OD1 3.15Å; H308-D392 IonicContact ND1-OD1 3.94Å; H308-D392 PolarHBondContact ND1-OD1 2.89Å; E388-D392 PolarHBondContact O-N 3.22Å; D392-F394 VanDerWaalsContact C-N 3.28Å; D392-F394 PolarHBondContact O-N 3.47Å; D392-S395 PolarHBondContact O-N 2.93Å; D392-A396 PolarHBondContact O-N 3.35Å; D392-R438 IonicContact OD1-CZ 3.43Å; D392-R438 IonicContact OD1-NE 3.97Å; D392-R438 IonicContact OD1-NH2 3.62Å; D392-R438 PolarHBondContact OD1-NH2 2.97Å; D392-R438 IonicContact OD2-CZ 3.24Å; D392-R438 IonicContact OD2-NE 3.14Å; D392-R438 PolarHBondContact OD2-NE 3.28Å; D392-R438 IonicContact OD2-NH2 3.05Å; D392-R438 PolarHBondContact OD2-NH2 3.09Å; D392-L442 HydrophobicContact CB-CD2 3.99Å; D392-L442 HydrophobicContact CB-CG 4.27Å
393	R	97.8	Very high	96.5	Very high	108 Å²	108	47.3 Å²	47.3	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-57.7	-41	173.5	-79.4	-170.3	-60.4	-84.7	0.4	112.1	F389 A390 A396 N397 L445	F389-R393 WeakPolarHBondContact O-CB 3.25Å; F389-R393 WeakPolarHBondContact O-CG 3.46Å; F389-R393 PolarHBondContact O-N 3.26Å; F389-R393 PolarHBondContact O-NH1 2.92Å; A390-R393 VanDerWaalsContact CA-NH2 3.33Å; A390-R393 PolarHBondContact O-N 2.92Å; R393-A396 PolarHBondContact O-N 3.16Å; R393-N397 WeakPolarHBondContact O-CB 3.48Å; R393-N397 PolarHBondContact O-N 3.29Å; R393-N397 PolarHBondContact O-ND2 3.48Å; R393-L445 HydrophobicContact CB-CD1 4.21Å; R393-L445 HydrophobicContact CG-CD1 3.6Å; R393-L445 HydrophobicContact CG-CD2 4.03Å; R393-L445 HydrophobicContact CG-CG 4.39Å
394	F	97.7	Very high	96.6	Very high	34 Å²	34	43.8 Å²	43.8	15%	0.149	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-46.2	178.4	-176.9	-92.4	0	0	0	111.7	V206 G307 L310 K314 L315 A390 A391 D392 A396 N397 L398	V206-F394 HydrophobicContact CB-CZ 4.44Å; V206-F394 HydrophobicContact CG1-CE1 4.19Å; V206-F394 HydrophobicContact CG1-CZ 3.84Å; G307-F394 WeakPolarHBondContact O-CD1 3.25Å; L310-F394 HydrophobicContact CB-CE1 4.37Å; K314-F394 HydrophobicContact CB-CE1 4.43Å; K314-F394 HydrophobicContact CB-CE2 3.9Å; K314-F394 HydrophobicContact CB-CZ 3.78Å; K314-F394 HydrophobicContact CG-CE2 3.63Å; K314-F394 HydrophobicContact CG-CZ 3.79Å; L315-F394 HydrophobicContact CD1-CB 4.36Å; A390-F394 WeakPolarHBondContact O-CB 3.31Å; A390-F394 PolarHBondContact O-N 2.84Å; A391-F394 WeakPolarHBondContact O-CB 3.34Å; A391-F394 PolarHBondContact O-N 3.05Å; D392-F394 VanDerWaalsContact C-N 3.28Å; D392-F394 PolarHBondContact O-N 3.47Å; F394-A396 VanDerWaalsContact C-N 3.33Å; F394-A396 PolarHBondContact O-N 3.45Å; F394-N397 PolarHBondContact O-N 2.91Å; F394-L398 HydrophobicContact CD1-CD1 3.92Å; F394-L398 HydrophobicContact CE1-CD1 3.54Å; F394-L398 HydrophobicContact CE1-CG 4.29Å; F394-L398 HydrophobicContact CZ-CD1 4.24Å; F394-L398 WeakPolarHBondContact O-CG 3.34Å; F394-L398 PolarHBondContact O-N 2.94Å
395	S	97.1	Very high	96.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-42.4	174.9	-166.4	0	0	0	0	111.6	A304 A391 D392 N397 L398 L400	A304-S395 PolarHBondContact O-OG 2.91Å; A391-S395 PolarHBondContact O-N 3.18Å; D392-S395 PolarHBondContact O-N 2.93Å; S395-N397 PolarHBondContact O-N 3.14Å; S395-L398 WeakPolarHBondContact O-CB 3.4Å; S395-L398 PolarHBondContact O-N 2.53Å; S395-L398 VanDerWaalsContact O-N 3.12Å; S395-L400 WeakPolarHBondContact O-CB 3.45Å; S395-L400 PolarHBondContact O-N 2.96Å
396	A	97.1	Very high	96.5	Very high	17 Å²	17	44.4 Å²	44.4	14%	0.14	24%	0.237	C	C	.	.	I	π-helix	trans	-59.3	-45.6	175.1	0	0	0	0	0	112.6	D392 R393 F394 L398 G399 L442 L445	D392-A396 PolarHBondContact O-N 3.35Å; R393-A396 PolarHBondContact O-N 3.16Å; F394-A396 VanDerWaalsContact C-N 3.33Å; F394-A396 PolarHBondContact O-N 3.45Å; A396-L398 PolarHBondContact O-N 3.13Å; A396-G399 WeakPolarHBondContact O-CA 3.46Å; A396-G399 PolarHBondContact O-N 3.32Å; A396-L442 HydrophobicContact CB-CD2 3.97Å; A396-L445 HydrophobicContact CB-CD1 3.7Å
397	N	96.3	Very high	96.4	Very high	123 Å²	123	37.1 Å²	37.1	66%	0.658	21%	0.205	S	C	*	.	I	π-helix	trans	-64.3	-18.8	177.6	-70.1	-19	0	0	0	113.6	R393 F394 S395 G399	R393-N397 WeakPolarHBondContact O-CB 3.48Å; R393-N397 PolarHBondContact O-N 3.29Å; R393-N397 PolarHBondContact O-ND2 3.48Å; F394-N397 PolarHBondContact O-N 2.91Å; S395-N397 PolarHBondContact O-N 3.14Å; N397-G399 PolarHBondContact O-N 3.25Å
398	L	95.5	Very high	96.3	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.105	21%	0.206	C	C	.	.	I	π-helix	trans	-79.5	-1.3	171.2	-66.1	172.2	0	0	0	113	L202 R205 V206 F394 S395 A396 L400	L202-L398 HydrophobicContact CD1-CD1 4Å; R205-L398 PolarHBondContact NH1-O 3.34Å; V206-L398 HydrophobicContact CG1-CD1 4.12Å; V206-L398 HydrophobicContact CG1-CD2 3.89Å; F394-L398 HydrophobicContact CD1-CD1 3.92Å; F394-L398 HydrophobicContact CE1-CD1 3.54Å; F394-L398 HydrophobicContact CE1-CG 4.29Å; F394-L398 HydrophobicContact CZ-CD1 4.24Å; F394-L398 WeakPolarHBondContact O-CG 3.34Å; F394-L398 PolarHBondContact O-N 2.94Å; S395-L398 WeakPolarHBondContact O-CB 3.4Å; S395-L398 PolarHBondContact O-N 2.53Å; S395-L398 VanDerWaalsContact O-N 3.12Å; A396-L398 PolarHBondContact O-N 3.13Å; L398-L400 HydrophobicContact CB-CD1 4.23Å; L398-L400 HydrophobicContact CB-CG 4.42Å
399	G	95.3	Very high	96.1	Very high	70 Å²	70	38.5 Å²	38.5	72%	0.722	21%	0.213	S	C	*	.	I	π-helix	trans	88.1	12.1	-175.5	0	0	0	0	0	113.3	A396 N397	A396-G399 WeakPolarHBondContact O-CA 3.46Å; A396-G399 PolarHBondContact O-N 3.32Å; N397-G399 PolarHBondContact O-N 3.25Å
400	L	96	Very high	95.8	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.11	21%	0.214	C	C	.	.	I	π-helix	trans	-102.5	9.5	-174.8	-58.6	168.3	0	0	0	112.7	L202 L303 A304 S395 L398 K402 C403 M404	L202-L400 HydrophobicContact CD1-CD1 4.22Å; L202-L400 HydrophobicContact CD2-CD1 4.09Å; L303-L400 HydrophobicContact CD2-CD2 4.13Å; L303-L400 HydrophobicContact CG-CD1 4.34Å; L303-L400 HydrophobicContact CG-CD2 4.38Å; A304-L400 HydrophobicContact CB-CB 4.05Å; S395-L400 WeakPolarHBondContact O-CB 3.45Å; S395-L400 PolarHBondContact O-N 2.96Å; L398-L400 HydrophobicContact CB-CD1 4.23Å; L398-L400 HydrophobicContact CB-CG 4.42Å; L400-K402 PolarHBondContact O-N 3.47Å; L400-C403 CarbonylContact O-C 3.59Å; L400-C403 PolarHBondContact O-N 3.47Å; L400-C403 VanDerWaalsContact O-N 3.15Å; L400-M404 WeakPolarHBondContact O-CB 3.36Å; L400-M404 PolarHBondContact O-N 3.18Å
401	G	95.1	Very high	95.5	Very high	6 Å²	6	39.9 Å²	39.9	6%	0.062	22%	0.217	C	C	.	.	H	α-helix	trans	-56.1	-48.9	-173.4	0	0	0	0	0	114	C403 M404 K405	G401-C403 PolarHBondContact O-N 2.76Å; G401-M404 WeakPolarHBondContact O-CB 3.31Å; G401-M404 PolarHBondContact O-N 3.1Å; G401-K405 PolarHBondContact O-N 2.96Å
402	K	94.8	Very high	95.1	Very high	169 Å²	169	39.9 Å²	39.9	74%	0.735	22%	0.217	S	C	*	.	H	α-helix	trans	-60.6	-44.4	176	-67.5	-176.7	179.7	-179.6	0	112.4	L400 M404 K405 S406	L400-K402 PolarHBondContact O-N 3.47Å; K402-M404 VanDerWaalsContact C-N 3.32Å; K402-M404 PolarHBondContact O-N 2.82Å; K402-K405 PolarHBondContact O-N 2.93Å; K402-S406 PolarHBondContact O-N 3.39Å
403	C	95.7	Very high	94.7	Very high	38 Å²	38	42.6 Å²	42.6	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-34.8	177.9	-63.3	0	0	0	0	111.4	A304 L400 G401 S406 A407	A304-C403 HydrophobicContact CB-CB 3.78Å; L400-C403 CarbonylContact O-C 3.59Å; L400-C403 PolarHBondContact O-N 3.47Å; L400-C403 VanDerWaalsContact O-N 3.15Å; G401-C403 PolarHBondContact O-N 2.76Å; C403-S406 PolarHBondContact O-N 2.9Å; C403-A407 VanDerWaalsContact O-CB 3.28Å; C403-A407 WeakPolarHBondContact O-CB 3.37Å; C403-A407 PolarHBondContact O-N 3.11Å
404	M	96.5	Very high	94.3	Very high	4 Å²	4	38 Å²	38	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-42.5	176.7	-168.2	66.5	-130	0	0	111.4	A304 V305 H308 L400 G401 K402 A407 L408 L442	A304-M404 HydrophobicContact CB-CB 4.08Å; A304-M404 HydrophobicContact CB-SD 4.08Å; A304-M404 VanDerWaalsContact O-SD 3.38Å; V305-M404 HydrophobicContact CG2-CE 4.36Å; H308-M404 HydrophobicContact CB-CE 4.38Å; H308-M404 HydrophobicContact CB-SD 3.93Å; L400-M404 WeakPolarHBondContact O-CB 3.36Å; L400-M404 PolarHBondContact O-N 3.18Å; G401-M404 WeakPolarHBondContact O-CB 3.31Å; G401-M404 PolarHBondContact O-N 3.1Å; K402-M404 VanDerWaalsContact C-N 3.32Å; K402-M404 PolarHBondContact O-N 2.82Å; M404-A407 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact CE-CD1 4.32Å; M404-L408 HydrophobicContact CE-CD2 3.7Å; M404-L408 HydrophobicContact CE-CG 3.67Å; M404-L408 WeakPolarHBondContact O-CG 3.19Å; M404-L408 PolarHBondContact O-N 3.28Å; M404-L442 HydrophobicContact CB-CD1 4.27Å; M404-L442 HydrophobicContact CG-CD1 3.95Å
405	K	95.3	Very high	94	Very high	35 Å²	35	37.4 Å²	37.4	15%	0.152	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-48	173.2	-66.9	-176.1	-168.8	-178.5	0	111.5	G401 K402 A407 L408 I409 L439 L442 S443 D446	G401-K405 PolarHBondContact O-N 2.96Å; K402-K405 PolarHBondContact O-N 2.93Å; K405-A407 VanDerWaalsContact C-N 3.33Å; K405-A407 PolarHBondContact O-N 2.95Å; K405-L408 PolarHBondContact O-N 3.32Å; K405-I409 WeakPolarHBondContact O-CG1 3.18Å; K405-I409 PolarHBondContact O-N 2.82Å; K405-I409 VanDerWaalsContact O-N 3.1Å; K405-L439 HydrophobicContact CB-CD2 3.72Å; K405-L439 HydrophobicContact CG-CD2 3.88Å; K405-L442 HydrophobicContact CD-CB 4.37Å; K405-L442 HydrophobicContact CG-CB 3.93Å; K405-L442 HydrophobicContact CG-CD1 3.84Å; K405-S443 WeakPolarHBondContact CE-OG 3.48Å; K405-S443 PolarHBondContact NZ-OG 2.97Å; K405-D446 IonicContact NZ-OD2 3.74Å; K405-D446 PolarHBondContact NZ-OD2 2.94Å
406	S	94	Very high	93.7	Very high	46 Å²	46	38.4 Å²	38.4	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-43.2	176.6	-167	0	0	0	0	111.9	E301 K402 C403 I409 K410	E301-S406 WeakPolarHBondContact OE1-CB 3.3Å; E301-S406 PolarHBondContact OE1-OG 3.11Å; K402-S406 PolarHBondContact O-N 3.39Å; C403-S406 PolarHBondContact O-N 2.9Å; S406-I409 PolarHBondContact O-N 2.89Å; S406-K410 PolarHBondContact O-N 3.23Å
407	A	94.6	Very high	93.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-44.3	177.6	0	0	0	0	0	112.3	M297 E301 V305 C403 M404 K405 I409 K410 L411	M297-A407 HydrophobicContact SD-CB 3.61Å; E301-A407 HydrophobicContact CB-CB 4.05Å; E301-A407 HydrophobicContact CG-CB 4.43Å; V305-A407 HydrophobicContact CG2-CB 3.88Å; C403-A407 VanDerWaalsContact O-CB 3.28Å; C403-A407 WeakPolarHBondContact O-CB 3.37Å; C403-A407 PolarHBondContact O-N 3.11Å; M404-A407 PolarHBondContact O-N 3.44Å; K405-A407 VanDerWaalsContact C-N 3.33Å; K405-A407 PolarHBondContact O-N 2.95Å; A407-I409 PolarHBondContact O-N 3.34Å; A407-K410 PolarHBondContact O-N 2.72Å; A407-L411 VanDerWaalsContact O-CB 3.24Å; A407-L411 WeakPolarHBondContact O-CB 3.48Å; A407-L411 PolarHBondContact O-N 3.18Å
408	L	94.3	Very high	93.2	Very high	9 Å²	9	35.2 Å²	35.2	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-61.9	-42.9	176.4	-72.2	174.9	0	0	0	112	M404 K405 S412 V435 R438 L439 L442	M404-L408 HydrophobicContact CE-CD1 4.32Å; M404-L408 HydrophobicContact CE-CD2 3.7Å; M404-L408 HydrophobicContact CE-CG 3.67Å; M404-L408 WeakPolarHBondContact O-CG 3.19Å; M404-L408 PolarHBondContact O-N 3.28Å; K405-L408 PolarHBondContact O-N 3.32Å; L408-S412 WeakPolarHBondContact O-CB 3.29Å; L408-S412 PolarHBondContact O-N 3.4Å; L408-V435 HydrophobicContact CB-CG1 4.35Å; L408-R438 HydrophobicContact CD1-CB 3.87Å; L408-L439 HydrophobicContact CB-CD2 4.29Å; L408-L439 HydrophobicContact CD1-CD2 4.27Å; L408-L442 HydrophobicContact CD1-CD1 3.81Å
409	I	92.6	Very high	92.8	Very high	42 Å²	42	34.6 Å²	34.6	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-49.3	177.4	-69.3	167.5	0	0	0	110.4	I21 K405 S406 A407 L411 S412 R413 L439	I21-I409 HydrophobicContact CG1-CG1 4.38Å; I21-I409 HydrophobicContact CG2-CG1 4.37Å; I21-I409 HydrophobicContact CG2-CG2 4.46Å; K405-I409 WeakPolarHBondContact O-CG1 3.18Å; K405-I409 PolarHBondContact O-N 2.82Å; K405-I409 VanDerWaalsContact O-N 3.1Å; S406-I409 PolarHBondContact O-N 2.89Å; A407-I409 PolarHBondContact O-N 3.34Å; I409-L411 PolarHBondContact O-N 2.9Å; I409-S412 WeakPolarHBondContact O-CB 3.31Å; I409-S412 PolarHBondContact O-N 3.35Å; I409-R413 WeakPolarHBondContact O-CB 3.33Å; I409-R413 PolarHBondContact O-N 3.48Å; I409-L439 HydrophobicContact CD1-CD1 4.23Å; I409-L439 HydrophobicContact CD1-CD2 4.48Å; I409-L439 HydrophobicContact CG1-CD1 3.9Å; I409-L439 HydrophobicContact CG1-CD2 4.31Å
410	K	91.5	Very high	92.4	Very high	54 Å²	54	32.3 Å²	32.3	24%	0.235	16%	0.162	C	C	.	.	H	α-helix	trans	-63.8	-42.6	179	-74.7	-171.2	-174.6	171.4	0	112.4	M297 E301 S406 A407 S412 R413 D414	M297-K410 HydrophobicContact CG-CB 4.18Å; M297-K410 HydrophobicContact CG-CD 4.28Å; E301-K410 VanDerWaalsContact OE1-CD 3.3Å; E301-K410 WeakPolarHBondContact OE1-CD 3.48Å; E301-K410 WeakPolarHBondContact OE1-CE 3.41Å; E301-K410 IonicContact OE1-NZ 3.49Å; E301-K410 PolarHBondContact OE1-NZ 3.19Å; E301-K410 VanDerWaalsContact OE2-CD 3.29Å; E301-K410 WeakPolarHBondContact OE2-CD 3.23Å; E301-K410 WeakPolarHBondContact OE2-CE 3.41Å; E301-K410 IonicContact OE2-NZ 2.85Å; E301-K410 PolarHBondContact OE2-NZ 2.86Å; S406-K410 PolarHBondContact O-N 3.23Å; A407-K410 PolarHBondContact O-N 2.72Å; K410-S412 VanDerWaalsContact C-N 3.32Å; K410-S412 PolarHBondContact O-N 3.42Å; K410-R413 PolarHBondContact O-N 3.03Å; K410-D414 VanDerWaalsContact O-CB 3.28Å; K410-D414 WeakPolarHBondContact O-CB 3.36Å; K410-D414 PolarHBondContact O-N 3.18Å
411	L	91.2	Very high	91.8	Very high	39 Å²	39	32.5 Å²	32.5	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-40	177.1	-170.3	67	0	0	0	111.5	L244 A407 I409 N415	L244-L411 HydrophobicContact CD1-CD1 4.28Å; A407-L411 VanDerWaalsContact O-CB 3.24Å; A407-L411 WeakPolarHBondContact O-CB 3.48Å; A407-L411 PolarHBondContact O-N 3.18Å; I409-L411 PolarHBondContact O-N 2.9Å; L411-N415 WeakPolarHBondContact CD1-ND2 3.48Å; L411-N415 VanDerWaalsContact O-CB 3.31Å; L411-N415 WeakPolarHBondContact O-CB 3.32Å; L411-N415 PolarHBondContact O-N 3.48Å
412	S	90.4	Very high	91.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-46.5	174.2	-172.3	0	0	0	0	111.5	L408 I409 K410 L416 I417	L408-S412 WeakPolarHBondContact O-CB 3.29Å; L408-S412 PolarHBondContact O-N 3.4Å; I409-S412 WeakPolarHBondContact O-CB 3.31Å; I409-S412 PolarHBondContact O-N 3.35Å; K410-S412 VanDerWaalsContact C-N 3.32Å; K410-S412 PolarHBondContact O-N 3.42Å; S412-L416 CarbonylContact O-C 3.58Å; S412-L416 WeakPolarHBondContact O-CA 3.32Å; S412-L416 PolarHBondContact O-N 3.47Å; S412-L416 VanDerWaalsContact O-N 3.08Å; S412-I417 PolarHBondContact O-N 2.85Å; S412-I417 PolarHBondContact OG-O 2.7Å
413	R	89.7	Confident	91.4	Very high	59 Å²	59	34.2 Å²	34.2	22%	0.223	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-49.6	177.5	-176.2	-173.2	66.6	-171.7	1	112.6	L22 E26 I409 K410 N415 L416	L22-R413 HydrophobicContact CD2-CB 3.86Å; L22-R413 HydrophobicContact CD2-CG 4.15Å; E26-R413 VanDerWaalsContact CD-CD 3.49Å; E26-R413 HydrophobicContact CG-CG 4.38Å; E26-R413 WeakPolarHBondContact OE1-CD 3.43Å; E26-R413 WeakPolarHBondContact OE2-CD 3.42Å; E26-R413 WeakPolarHBondContact OE2-CG 3.41Å; I409-R413 WeakPolarHBondContact O-CB 3.33Å; I409-R413 PolarHBondContact O-N 3.48Å; K410-R413 PolarHBondContact O-N 3.03Å; R413-N415 VanDerWaalsContact C-N 3.27Å; R413-N415 PolarHBondContact O-N 2.94Å; R413-L416 PolarHBondContact O-N 3.03Å; R413-L416 VanDerWaalsContact O-N 3.08Å
414	D	89.4	Confident	91.1	Very high	11 Å²	11	36.9 Å²	36.9	6%	0.059	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-30.2	-174.7	-72.3	11.3	0	0	0	111.8	F116 L295 G296 K410	F116-D414 WeakPolarHBondContact CE1-O 3.04Å; L295-D414 HydrophobicContact CD2-CB 3.88Å; G296-D414 PolarHBondContact N-OD2 3.43Å; K410-D414 VanDerWaalsContact O-CB 3.28Å; K410-D414 WeakPolarHBondContact O-CB 3.36Å; K410-D414 PolarHBondContact O-N 3.18Å
415	N	91.4	Very high	90.9	Very high	21 Å²	21	38.7 Å²	38.7	11%	0.112	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4	174.6	-71.5	-32.2	0	0	0	113.9	H224 S225 L411 R413 I417	H224-N415 VanDerWaalsContact CA-OD1 3.26Å; H224-N415 WeakPolarHBondContact CA-OD1 3.29Å; H224-N415 PolarHBondContact ND1-OD1 2.92Å; S225-N415 PolarHBondContact N-OD1 3.38Å; S225-N415 PolarHBondContact O-ND2 3.26Å; L411-N415 WeakPolarHBondContact CD1-ND2 3.48Å; L411-N415 VanDerWaalsContact O-CB 3.31Å; L411-N415 WeakPolarHBondContact O-CB 3.32Å; L411-N415 PolarHBondContact O-N 3.48Å; R413-N415 VanDerWaalsContact C-N 3.27Å; R413-N415 PolarHBondContact O-N 2.94Å; N415-I417 HydrophobicContact CB-CD1 4.2Å; N415-I417 HydrophobicContact CB-CG1 3.82Å; N415-I417 PolarHBondContact O-N 2.69Å
416	L	91.1	Very high	90.7	Very high	22 Å²	22	37.3 Å²	37.3	12%	0.115	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	43.8	-174.1	-65.2	179.4	0	0	0	113.4	K29 A30 Y33 F116 S412 R413 F418	K29-L416 HydrophobicContact CB-CD1 4.23Å; K29-L416 HydrophobicContact CB-CD2 4.11Å; A30-L416 HydrophobicContact CB-CB 4.12Å; A30-L416 HydrophobicContact CB-CD2 4.44Å; A30-L416 WeakPolarHBondContact CB-O 3.34Å; Y33-L416 HydrophobicContact CD1-CB 4.03Å; F116-L416 HydrophobicContact CE2-CB 4.19Å; F116-L416 HydrophobicContact CE2-CD1 3.71Å; F116-L416 HydrophobicContact CE2-CG 4.17Å; F116-L416 HydrophobicContact CZ-CB 3.79Å; F116-L416 HydrophobicContact CZ-CD1 3.67Å; F116-L416 HydrophobicContact CZ-CG 3.66Å; S412-L416 CarbonylContact O-C 3.58Å; S412-L416 WeakPolarHBondContact O-CA 3.32Å; S412-L416 PolarHBondContact O-N 3.47Å; S412-L416 VanDerWaalsContact O-N 3.08Å; R413-L416 PolarHBondContact O-N 3.03Å; R413-L416 VanDerWaalsContact O-N 3.08Å; L416-F418 PolarHBondContact O-N 3.37Å
417	I	90.4	Very high	90.5	Very high	69 Å²	69	36.7 Å²	36.7	35%	0.354	18%	0.176	S	C	.	.			trans	-69.8	116.2	177.3	-56.2	-179	0	0	0	108.5	S412 N415 P419	S412-I417 PolarHBondContact O-N 2.85Å; S412-I417 PolarHBondContact OG-O 2.7Å; N415-I417 HydrophobicContact CB-CD1 4.2Å; N415-I417 HydrophobicContact CB-CG1 3.82Å; N415-I417 PolarHBondContact O-N 2.69Å; I417-P419 WeakPolarHBondContact O-CD 3.29Å
418	F	91.4	Very high	90.4	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	20%	0.195	C	C	.	.			trans	-71.7	120.1	175.6	-168.2	-112.4	0	0	0	110.1	Q8 F27 A30 R31 K34 L416 I420	Q8-F418 HydrophobicContact CB-CD1 4.43Å; Q8-F418 HydrophobicContact CB-CE1 3.99Å; Q8-F418 HydrophobicContact CG-CD1 3.85Å; Q8-F418 HydrophobicContact CG-CE1 3.71Å; F27-F418 HydrophobicContact CD1-CE2 4.24Å; F27-F418 HydrophobicContact CD2-CE2 4.24Å; F27-F418 AromaticContact CE1-CE2 3.68Å; F27-F418 HydrophobicContact CE1-CE2 3.68Å; F27-F418 HydrophobicContact CE1-CZ 4.1Å; F27-F418 HydrophobicContact CE2-CD2 4.38Å; F27-F418 AromaticContact CE2-CE2 3.68Å; F27-F418 HydrophobicContact CE2-CE2 3.68Å; F27-F418 HydrophobicContact CE2-CZ 4.19Å; F27-F418 HydrophobicContact CG-CE2 4.5Å; F27-F418 HydrophobicContact CZ-CD2 4.44Å; F27-F418 AromaticContact CZ-CE2 3.36Å; F27-F418 HydrophobicContact CZ-CE2 3.36Å; F27-F418 AromaticContact CZ-CZ 3.6Å; F27-F418 HydrophobicContact CZ-CZ 3.6Å; A30-F418 HydrophobicContact CB-CB 4.44Å; A30-F418 HydrophobicContact CB-CD2 4.25Å; R31-F418 HydrophobicContact CB-CD2 3.88Å; R31-F418 HydrophobicContact CB-CE2 3.56Å; R31-F418 HydrophobicContact CB-CZ 4.29Å; R31-F418 HydrophobicContact CG-CD2 4.45Å; R31-F418 HydrophobicContact CG-CE2 3.84Å; R31-F418 HydrophobicContact CG-CZ 4.06Å; K34-F418 HydrophobicContact CB-CB 4Å; K34-F418 HydrophobicContact CG-CB 4.1Å; L416-F418 PolarHBondContact O-N 3.37Å; F418-I420 VanDerWaalsContact C-N 3.28Å; F418-I420 HydrophobicContact CD1-CB 4.34Å; F418-I420 WeakPolarHBondContact CD1-O 3.35Å; F418-I420 HydrophobicContact CE1-CB 3.75Å; F418-I420 WeakPolarHBondContact CE1-O 3.22Å; F418-I420 HydrophobicContact CZ-CB 4.25Å; F418-I420 PolarHBondContact O-N 3.35Å
419	P	87.6	Confident	90.2	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.052	22%	0.216	C	C	.	.			trans	-82.5	-0.7	-166.9	31.7	-36.2	0	0	0	114.4	L18 L22 F27 I417 P436	L18-P419 HydrophobicContact CD1-CB 4.38Å; L18-P419 HydrophobicContact CD1-CG 4.03Å; L18-P419 HydrophobicContact CD2-CB 4.42Å; L22-P419 HydrophobicContact CD1-CG 4.16Å; F27-P419 HydrophobicContact CD2-CG 4.22Å; F27-P419 HydrophobicContact CE2-CG 3.92Å; I417-P419 WeakPolarHBondContact O-CD 3.29Å; P419-P436 HydrophobicContact CB-CG 4.03Å
420	I	86.4	Confident	90.1	Very high	22 Å²	22	46.1 Å²	46.1	11%	0.113	21%	0.214	C	C	.	.			trans	-119.5	122.4	-176.6	-56.9	174.3	0	0	0	109.4	K7 T11 P15 L18 F27 F418	K7-I420 HydrophobicContact CD-CG2 4.31Å; K7-I420 HydrophobicContact CG-CG2 4.36Å; T11-I420 HydrophobicContact CG2-CD1 3.55Å; P15-I420 HydrophobicContact CG-CD1 3.75Å; L18-I420 HydrophobicContact CD1-CD1 3.63Å; L18-I420 HydrophobicContact CD1-CG1 3.47Å; L18-I420 VanDerWaalsContact CD1-CG1 3.47Å; F27-I420 HydrophobicContact CE2-CD1 4.08Å; F27-I420 HydrophobicContact CZ-CD1 3.84Å; F418-I420 VanDerWaalsContact C-N 3.28Å; F418-I420 HydrophobicContact CD1-CB 4.34Å; F418-I420 WeakPolarHBondContact CD1-O 3.35Å; F418-I420 HydrophobicContact CE1-CB 3.75Å; F418-I420 WeakPolarHBondContact CE1-O 3.22Å; F418-I420 HydrophobicContact CZ-CB 4.25Å; F418-I420 PolarHBondContact O-N 3.35Å
421	D	84.9	Confident	90	Very high	24 Å²	24	46 Å²	46	13%	0.128	22%	0.22	C	C	.	.			trans	-133.1	161.6	173.6	-88.2	-59.4	0	0	0	111.4	K4 K7 Q8 H430	K4-D421 VanDerWaalsContact CE-OD1 3.31Å; K4-D421 WeakPolarHBondContact CE-OD1 3.19Å; K7-D421 PolarHBondContact NZ-O 3.23Å; Q8-D421 PolarHBondContact NE2-OD1 3.15Å; D421-H430 IonicContact OD2-CE1 3.71Å; D421-H430 PolarHBondContact OD2-CE1 2.83Å; D421-H430 IonicContact OD2-ND1 3.56Å; D421-H430 IonicContact OD2-NE2 3.44Å
422	D	90.3	Very high	90	Very high	26 Å²	26	48.4 Å²	48.4	14%	0.139	23%	0.23	C	C	.	.			trans	-65.6	136.4	169.3	173.7	-109.7	0	0	0	109.7	K4 K7 L424 Y425 S426	K4-D422 HydrophobicContact CB-CB 4.09Å; K7-D422 HydrophobicContact CD-CB 4.37Å; D422-L424 VanDerWaalsContact C-N 3.33Å; D422-L424 PolarHBondContact O-N 3.28Å; D422-L424 WeakPolarHBondContact OD1-CB 3.37Å; D422-L424 PolarHBondContact OD1-N 3.31Å; D422-Y425 PolarHBondContact O-N 2.82Å; D422-Y425 PolarHBondContact OD1-N 2.91Å; D422-S426 VanDerWaalsContact O-CB 3.26Å; D422-S426 WeakPolarHBondContact O-CB 3.49Å; D422-S426 PolarHBondContact O-N 3.45Å
423	W	89.7	Confident	90.1	Very high	186 Å²	186	48.6 Å²	48.6	71%	0.705	23%	0.231	S	C	*	.	H	α-helix	trans	-65.8	-38.6	-171.5	70.6	-88.9	0	0	0	111.4	S426 A427	W423-S426 PolarHBondContact O-N 3.48Å; W423-A427 WeakPolarHBondContact O-CB 3.45Å; W423-A427 PolarHBondContact O-N 2.85Å
424	L	91.2	Very high	90.3	Very high	94 Å²	94	47.3 Å²	47.3	49%	0.492	23%	0.231	S	C	.	.	H	α-helix	trans	-72.1	-45.2	-178.6	179.6	62.5	0	0	0	110	D422 S426 A427 W428	D422-L424 VanDerWaalsContact C-N 3.33Å; D422-L424 PolarHBondContact O-N 3.28Å; D422-L424 WeakPolarHBondContact OD1-CB 3.37Å; D422-L424 PolarHBondContact OD1-N 3.31Å; L424-S426 VanDerWaalsContact C-N 3.29Å; L424-S426 PolarHBondContact O-N 3.17Å; L424-A427 PolarHBondContact O-N 3.24Å; L424-W428 PolarHBondContact O-N 3.24Å; L424-W428 VanDerWaalsContact O-N 3.1Å
425	Y	91.4	Very high	90.4	Very high	41 Å²	41	47.6 Å²	47.6	16%	0.161	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-45	172.9	-173.6	-80.3	0	0	0	111.6	K4 D422 A427 W428 H429 H430	K4-Y425 HydrophobicContact CB-CD2 4.15Å; K4-Y425 HydrophobicContact CB-CG 4.08Å; K4-Y425 HydrophobicContact CD-CD1 3.45Å; K4-Y425 VanDerWaalsContact CD-CD1 3.45Å; K4-Y425 HydrophobicContact CD-CD2 3.69Å; K4-Y425 HydrophobicContact CD-CE1 3.48Å; K4-Y425 VanDerWaalsContact CD-CE1 3.48Å; K4-Y425 HydrophobicContact CD-CE2 3.7Å; K4-Y425 HydrophobicContact CD-CG 3.55Å; K4-Y425 HydrophobicContact CG-CG 4.35Å; K4-Y425 PolarHBondContact NZ-OH 3.39Å; D422-Y425 PolarHBondContact O-N 2.82Å; D422-Y425 PolarHBondContact OD1-N 2.91Å; Y425-A427 PolarHBondContact O-N 3.34Å; Y425-W428 PolarHBondContact O-N 3.21Å; Y425-H429 HydrophobicContact CD1-CB 4.35Å; Y425-H429 AromaticContact CD2-CD2 3.61Å; Y425-H429 HydrophobicContact CE1-CB 3.87Å; Y425-H429 AromaticContact CE1-CD2 3.96Å; Y425-H429 AromaticContact CE2-CD2 3.43Å; Y425-H429 VanDerWaalsContact CE2-CD2 3.43Å; Y425-H429 WeakPolarHBondContact CE2-CD2 3.25Å; Y425-H429 AromaticContact CE2-NE2 3.86Å; Y425-H429 AromaticContact CG-CD2 3.98Å; Y425-H429 AromaticContact CZ-CD2 3.63Å; Y425-H429 PolarHBondContact O-N 3.28Å; Y425-H430 AromaticContact CD1-CE1 3.91Å; Y425-H430 AromaticContact CD1-NE2 3.83Å; Y425-H430 AromaticContact CE1-CE1 3.98Å; Y425-H430 AromaticContact CE1-NE2 3.43Å; Y425-H430 WeakPolarHBondContact CE1-NE2 3.45Å
426	S	91.3	Very high	90.4	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.049	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-44	179.4	-170.3	0	0	0	0	111.5	D422 W423 L424 W428 H430	D422-S426 VanDerWaalsContact O-CB 3.26Å; D422-S426 WeakPolarHBondContact O-CB 3.49Å; D422-S426 PolarHBondContact O-N 3.45Å; W423-S426 PolarHBondContact O-N 3.48Å; L424-S426 VanDerWaalsContact C-N 3.29Å; L424-S426 PolarHBondContact O-N 3.17Å; S426-W428 VanDerWaalsContact C-N 3.27Å; S426-W428 PolarHBondContact O-N 3.06Å; S426-H430 WeakPolarHBondContact O-CB 3.45Å; S426-H430 PolarHBondContact O-N 2.92Å; S426-H430 VanDerWaalsContact O-N 3.1Å; S426-H430 PolarHBondContact OG-ND1 2.96Å
427	A	90.2	Very high	90.6	Very high	32 Å²	32	50.3 Å²	50.3	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-32.7	177.5	0	0	0	0	0	113.4	V381 W423 L424 Y425	V381-A427 WeakPolarHBondContact CG1-O 3.46Å; W423-A427 WeakPolarHBondContact O-CB 3.45Å; W423-A427 PolarHBondContact O-N 2.85Å; L424-A427 PolarHBondContact O-N 3.24Å; Y425-A427 PolarHBondContact O-N 3.34Å
428	W	91.2	Very high	90.8	Very high	105 Å²	105	48.1 Å²	48.1	40%	0.398	24%	0.235	S	C	.	.	H	α-helix	trans	-85.3	-39.9	-177.6	-163.5	-77.7	0	0	0	113.5	V378 L424 Y425 S426	V378-W428 HydrophobicContact CB-CE3 4.42Å; V378-W428 HydrophobicContact CG1-CE3 4.11Å; V378-W428 HydrophobicContact CG1-CZ3 4.39Å; V378-W428 HydrophobicContact CG2-CD2 3.28Å; V378-W428 HydrophobicContact CG2-CE3 3.4Å; V378-W428 VanDerWaalsContact CG2-CE3 3.4Å; V378-W428 HydrophobicContact CG2-CG 3.95Å; V378-W428 HydrophobicContact CG2-CH2 3.53Å; V378-W428 HydrophobicContact CG2-CZ2 3.39Å; V378-W428 HydrophobicContact CG2-CZ3 3.53Å; L424-W428 PolarHBondContact O-N 3.24Å; L424-W428 VanDerWaalsContact O-N 3.1Å; Y425-W428 PolarHBondContact O-N 3.21Å; S426-W428 VanDerWaalsContact C-N 3.27Å; S426-W428 PolarHBondContact O-N 3.06Å
429	H	90	Very high	90.9	Very high	107 Å²	107	49 Å²	49	50%	0.495	24%	0.24	S	C	.	.	H	α-helix	trans	-115.2	-22	-166.2	-65.5	-73	0	0	0	115.4	Y425 S431	Y425-H429 HydrophobicContact CD1-CB 4.35Å; Y425-H429 AromaticContact CD2-CD2 3.61Å; Y425-H429 HydrophobicContact CE1-CB 3.87Å; Y425-H429 AromaticContact CE1-CD2 3.96Å; Y425-H429 AromaticContact CE2-CD2 3.43Å; Y425-H429 VanDerWaalsContact CE2-CD2 3.43Å; Y425-H429 WeakPolarHBondContact CE2-CD2 3.25Å; Y425-H429 AromaticContact CE2-NE2 3.86Å; Y425-H429 AromaticContact CG-CD2 3.98Å; Y425-H429 AromaticContact CZ-CD2 3.63Å; Y425-H429 PolarHBondContact O-N 3.28Å; H429-S431 PolarHBondContact O-N 2.93Å
430	H	91.4	Very high	91.2	Very high	37 Å²	37	53.8 Å²	53.8	17%	0.171	26%	0.261	C	S	.	.			trans	-94	107.3	-173.1	-63.7	159	0	0	0	111.6	V381 R385 D421 Y425 S426 H432	V381-H430 VanDerWaalsContact CG1-O 3.28Å; V381-H430 WeakPolarHBondContact CG1-O 2.93Å; R385-H430 WeakPolarHBondContact CD-O 3.1Å; R385-H430 WeakPolarHBondContact CG-O 3.12Å; D421-H430 IonicContact OD2-CE1 3.71Å; D421-H430 PolarHBondContact OD2-CE1 2.83Å; D421-H430 IonicContact OD2-ND1 3.56Å; D421-H430 IonicContact OD2-NE2 3.44Å; Y425-H430 AromaticContact CD1-CE1 3.91Å; Y425-H430 AromaticContact CD1-NE2 3.83Å; Y425-H430 AromaticContact CE1-CE1 3.98Å; Y425-H430 AromaticContact CE1-NE2 3.43Å; Y425-H430 WeakPolarHBondContact CE1-NE2 3.45Å; S426-H430 WeakPolarHBondContact O-CB 3.45Å; S426-H430 PolarHBondContact O-N 2.92Å; S426-H430 VanDerWaalsContact O-N 3.1Å; S426-H430 PolarHBondContact OG-ND1 2.96Å; H430-H432 WeakPolarHBondContact CB-O 2.88Å; H430-H432 PolarHBondContact O-N 3.45Å
431	S	89.4	Confident	91.7	Very high	53 Å²	53	54 Å²	54	37%	0.371	27%	0.266	S	S	.	.	S	Bend	trans	-62.8	-23.3	174.3	56.3	0	0	0	0	113.4	T384 R385 H429	T384-S431 WeakPolarHBondContact OG1-CA 3.4Å; T384-S431 PolarHBondContact OG1-O 3.2Å; R385-S431 PolarHBondContact N-O 3.03Å; H429-S431 PolarHBondContact O-N 2.93Å
432	H	91.3	Very high	92.2	Very high	89 Å²	89	52.9 Å²	52.9	41%	0.412	26%	0.261	S	S	.	.	S	Bend	trans	-106.5	137.2	173.6	-60.3	-94.3	0	0	0	111	E388 H430	E388-H432 IonicContact OE1-CE1 3.74Å; E388-H432 PolarHBondContact OE1-CE1 3.13Å; E388-H432 VanDerWaalsContact OE1-CE1 3.23Å; E388-H432 IonicContact OE1-ND1 3.31Å; E388-H432 PolarHBondContact OE1-ND1 2.84Å; E388-H432 IonicContact OE2-CE1 2.71Å; E388-H432 PolarHBondContact OE2-CE1 3.22Å; E388-H432 IonicContact OE2-CG 2.84Å; E388-H432 IonicContact OE2-ND1 2.58Å; E388-H432 PolarHBondContact OE2-ND1 3.36Å; H430-H432 WeakPolarHBondContact CB-O 2.88Å; H430-H432 PolarHBondContact O-N 3.45Å
433	P	93.1	Very high	92.3	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.032	27%	0.273	C	S	.	.			trans	-58.5	155.2	164.9	-14.6	28.2	0	0	0	110.6	R385 E388 F389 E437 R438	R385-P433 HydrophobicContact CB-CG 4.02Å; R385-P433 HydrophobicContact CG-CG 4.2Å; E388-P433 HydrophobicContact CB-CG 4.18Å; F389-P433 HydrophobicContact CD1-CG 4.44Å; F389-P433 HydrophobicContact CD2-CG 3.88Å; F389-P433 HydrophobicContact CE1-CB 4.02Å; F389-P433 HydrophobicContact CE1-CG 4.03Å; F389-P433 HydrophobicContact CE2-CB 3.83Å; F389-P433 HydrophobicContact CE2-CG 3.41Å; F389-P433 VanDerWaalsContact CE2-CG 3.41Å; F389-P433 HydrophobicContact CG-CG 4.38Å; F389-P433 HydrophobicContact CZ-CB 3.43Å; F389-P433 VanDerWaalsContact CZ-CB 3.43Å; F389-P433 HydrophobicContact CZ-CG 3.49Å; F389-P433 VanDerWaalsContact CZ-CG 3.49Å; P433-E437 WeakPolarHBondContact CA-OE2 3.24Å; P433-E437 HydrophobicContact CB-CB 4.18Å; P433-E437 WeakPolarHBondContact CB-OE2 3.26Å; P433-R438 HydrophobicContact CB-CG 4.06Å; P433-R438 HydrophobicContact CG-CG 4.44Å
434	S	92.3	Very high	92.5	Very high	32 Å²	32	52.6 Å²	52.6	22%	0.224	27%	0.27	C	S	.	.			trans	-62.8	153.6	178.2	66.5	0	0	0	0	111.2	P436 E437 R438	S434-P436 VanDerWaalsContact C-CD 3.48Å; S434-P436 VanDerWaalsContact C-N 3.32Å; S434-E437 PolarHBondContact N-OE2 2.99Å; S434-E437 WeakPolarHBondContact O-CB 3.34Å; S434-E437 PolarHBondContact O-N 2.99Å; S434-E437 VanDerWaalsContact O-N 3.1Å; S434-E437 WeakPolarHBondContact OG-CG 3.39Å; S434-E437 PolarHBondContact OG-N 3.41Å; S434-E437 PolarHBondContact OG-OE2 2.86Å; S434-R438 PolarHBondContact O-N 2.76Å
435	V	92.4	Very high	92.4	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.097	27%	0.265	C	S	.	.	H	α-helix	trans	-54.2	-43.8	179	178.6	0	0	0	0	111.9	I21 L408 E437 R438 L439	I21-V435 HydrophobicContact CD1-CG1 4.27Å; I21-V435 HydrophobicContact CG2-CG1 4.27Å; L408-V435 HydrophobicContact CB-CG1 4.35Å; V435-E437 PolarHBondContact O-N 3.25Å; V435-R438 PolarHBondContact O-N 2.98Å; V435-L439 HydrophobicContact CG1-CD1 3.91Å; V435-L439 HydrophobicContact CG1-CG 4.16Å; V435-L439 VanDerWaalsContact O-CG 3.32Å; V435-L439 WeakPolarHBondContact O-CG 3.34Å; V435-L439 PolarHBondContact O-N 3Å
436	P	92.4	Very high	91.6	Very high	35 Å²	35	56.4 Å²	56.4	23%	0.227	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-43.3	175.7	-24.9	36.9	0	0	0	113.4	L18 I21 P419 S434 R438 L439 E440	L18-P436 HydrophobicContact CD2-CB 3.97Å; L18-P436 HydrophobicContact CD2-CG 3.37Å; I21-P436 HydrophobicContact CD1-CG 4.03Å; P419-P436 HydrophobicContact CB-CG 4.03Å; S434-P436 VanDerWaalsContact C-CD 3.48Å; S434-P436 VanDerWaalsContact C-N 3.32Å; P436-R438 VanDerWaalsContact C-N 3.29Å; P436-R438 PolarHBondContact O-N 3.01Å; P436-L439 PolarHBondContact O-N 3.19Å; P436-E440 WeakPolarHBondContact O-CB 3.35Å; P436-E440 PolarHBondContact O-N 3.35Å
437	E	93.6	Very high	91.6	Very high	65 Å²	65	58.9 Å²	58.9	30%	0.304	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-41.1	176.4	-72.4	171	147.8	0	0	111.3	R385 F389 P433 S434 V435 A441	R385-E437 IonicContact NH2-OE1 2.68Å; R385-E437 PolarHBondContact NH2-OE1 3.46Å; R385-E437 VanDerWaalsContact NH2-OE1 3.1Å; R385-E437 IonicContact NH2-OE2 3.1Å; R385-E437 PolarHBondContact NH2-OE2 3.48Å; R385-E437 VanDerWaalsContact NH2-OE2 3.15Å; F389-E437 HydrophobicContact CE1-CB 4.39Å; F389-E437 HydrophobicContact CZ-CB 4.11Å; P433-E437 WeakPolarHBondContact CA-OE2 3.24Å; P433-E437 HydrophobicContact CB-CB 4.18Å; P433-E437 WeakPolarHBondContact CB-OE2 3.26Å; S434-E437 PolarHBondContact N-OE2 2.99Å; S434-E437 WeakPolarHBondContact O-CB 3.34Å; S434-E437 PolarHBondContact O-N 2.99Å; S434-E437 VanDerWaalsContact O-N 3.1Å; S434-E437 WeakPolarHBondContact OG-CG 3.39Å; S434-E437 PolarHBondContact OG-N 3.41Å; S434-E437 PolarHBondContact OG-OE2 2.86Å; V435-E437 PolarHBondContact O-N 3.25Å; E437-A441 WeakPolarHBondContact O-CB 3.25Å; E437-A441 PolarHBondContact O-N 2.9Å
438	R	95.5	Very high	91.7	Very high	23 Å²	23	60.3 Å²	60.3	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-42.7	178.1	-65.6	178.7	68.5	170.1	2.7	112.2	H308 E388 F389 D392 L408 P433 S434 V435 P436 A441 L442	H308-R438 PolarHBondContact CE1-NH2 3.09Å; H308-R438 PolarHBondContact ND1-NH2 2.74Å; E388-R438 IonicContact OE2-CZ 2.84Å; E388-R438 IonicContact OE2-NH1 3.99Å; E388-R438 PolarHBondContact OE2-NH1 3.22Å; E388-R438 IonicContact OE2-NH2 3.36Å; F389-R438 HydrophobicContact CE1-CG 4.31Å; D392-R438 IonicContact OD1-CZ 3.43Å; D392-R438 IonicContact OD1-NE 3.97Å; D392-R438 IonicContact OD1-NH2 3.62Å; D392-R438 PolarHBondContact OD1-NH2 2.97Å; D392-R438 IonicContact OD2-CZ 3.24Å; D392-R438 IonicContact OD2-NE 3.14Å; D392-R438 PolarHBondContact OD2-NE 3.28Å; D392-R438 IonicContact OD2-NH2 3.05Å; D392-R438 PolarHBondContact OD2-NH2 3.09Å; L408-R438 HydrophobicContact CD1-CB 3.87Å; P433-R438 HydrophobicContact CB-CG 4.06Å; P433-R438 HydrophobicContact CG-CG 4.44Å; S434-R438 PolarHBondContact O-N 2.76Å; V435-R438 PolarHBondContact O-N 2.98Å; P436-R438 VanDerWaalsContact C-N 3.29Å; P436-R438 PolarHBondContact O-N 3.01Å; R438-A441 PolarHBondContact O-N 3.45Å; R438-L442 WeakPolarHBondContact O-CB 3.42Å; R438-L442 WeakPolarHBondContact O-CG 3.36Å; R438-L442 PolarHBondContact O-N 3.25Å
439	L	94.4	Very high	91.7	Very high	22 Å²	22	57.8 Å²	57.8	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-40.8	176.6	-68.7	176.1	0	0	0	111.9	I21 K405 L408 I409 V435 P436 L442 S443	I21-L439 HydrophobicContact CD1-CD1 3.55Å; I21-L439 HydrophobicContact CG1-CD1 3.8Å; K405-L439 HydrophobicContact CB-CD2 3.72Å; K405-L439 HydrophobicContact CG-CD2 3.88Å; L408-L439 HydrophobicContact CB-CD2 4.29Å; L408-L439 HydrophobicContact CD1-CD2 4.27Å; I409-L439 HydrophobicContact CD1-CD1 4.23Å; I409-L439 HydrophobicContact CD1-CD2 4.48Å; I409-L439 HydrophobicContact CG1-CD1 3.9Å; I409-L439 HydrophobicContact CG1-CD2 4.31Å; V435-L439 HydrophobicContact CG1-CD1 3.91Å; V435-L439 HydrophobicContact CG1-CG 4.16Å; V435-L439 VanDerWaalsContact O-CG 3.32Å; V435-L439 WeakPolarHBondContact O-CG 3.34Å; V435-L439 PolarHBondContact O-N 3Å; P436-L439 PolarHBondContact O-N 3.19Å; L439-L442 PolarHBondContact O-N 2.76Å; L439-S443 WeakPolarHBondContact O-CB 3.27Å; L439-S443 PolarHBondContact O-N 3.19Å; L439-S443 PolarHBondContact O-OG 3.02Å
440	E	94.1	Very high	91.8	Very high	108 Å²	108	54.9 Å²	54.9	51%	0.505	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-46.3	174.7	-168.4	-165.5	152.3	0	0	110.8	P436 L442 S443 K444	P436-E440 WeakPolarHBondContact O-CB 3.35Å; P436-E440 PolarHBondContact O-N 3.35Å; E440-L442 PolarHBondContact O-N 3.18Å; E440-S443 PolarHBondContact O-N 3.12Å; E440-S443 VanDerWaalsContact O-N 3.17Å; E440-K444 WeakPolarHBondContact O-CG 3.31Å; E440-K444 PolarHBondContact O-N 3.09Å; E440-K444 VanDerWaalsContact OE1-CE 3.29Å; E440-K444 WeakPolarHBondContact OE1-CE 3.45Å; E440-K444 IonicContact OE1-NZ 3.23Å; E440-K444 PolarHBondContact OE1-NZ 3.1Å
441	A	95.3	Very high	91.8	Very high	26 Å²	26	56.1 Å²	56.1	22%	0.215	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-40.8	177.6	0	0	0	0	0	112.6	F389 E437 R438 S443 K444	F389-A441 HydrophobicContact CD1-CB 3.67Å; F389-A441 HydrophobicContact CE1-CB 3.74Å; E437-A441 WeakPolarHBondContact O-CB 3.25Å; E437-A441 PolarHBondContact O-N 2.9Å; R438-A441 PolarHBondContact O-N 3.45Å; A441-S443 VanDerWaalsContact C-N 3.34Å; A441-K444 PolarHBondContact O-N 3.13Å
442	L	95.3	Very high	92	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-35.1	174.6	-76.8	168.5	0	0	0	112.2	D392 A396 M404 K405 L408 R438 L439 E440 K444 L445	D392-L442 HydrophobicContact CB-CD2 3.99Å; D392-L442 HydrophobicContact CB-CG 4.27Å; A396-L442 HydrophobicContact CB-CD2 3.97Å; M404-L442 HydrophobicContact CB-CD1 4.27Å; M404-L442 HydrophobicContact CG-CD1 3.95Å; K405-L442 HydrophobicContact CD-CB 4.37Å; K405-L442 HydrophobicContact CG-CB 3.93Å; K405-L442 HydrophobicContact CG-CD1 3.84Å; L408-L442 HydrophobicContact CD1-CD1 3.81Å; R438-L442 WeakPolarHBondContact O-CB 3.42Å; R438-L442 WeakPolarHBondContact O-CG 3.36Å; R438-L442 PolarHBondContact O-N 3.25Å; L439-L442 PolarHBondContact O-N 2.76Å; E440-L442 PolarHBondContact O-N 3.18Å; L442-K444 VanDerWaalsContact C-N 3.26Å; L442-K444 PolarHBondContact O-N 2.93Å; L442-L445 HydrophobicContact CD2-CD1 4.25Å; L442-L445 WeakPolarHBondContact O-CB 3.4Å; L442-L445 PolarHBondContact O-N 3.19Å
443	S	92.8	Very high	92	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	29%	0.286	S	S	.	.	H	α-helix	trans	-70.6	-21.5	179.5	-55.8	0	0	0	0	113.7	K405 L439 E440 A441 L445	K405-S443 WeakPolarHBondContact CE-OG 3.48Å; K405-S443 PolarHBondContact NZ-OG 2.97Å; L439-S443 WeakPolarHBondContact O-CB 3.27Å; L439-S443 PolarHBondContact O-N 3.19Å; L439-S443 PolarHBondContact O-OG 3.02Å; E440-S443 PolarHBondContact O-N 3.12Å; E440-S443 VanDerWaalsContact O-N 3.17Å; A441-S443 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 3.18Å
444	K	93.2	Very high	92	Very high	148 Å²	148	57.7 Å²	57.7	64%	0.643	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-6	173	-68.4	171.8	-176.6	168.1	0	113.5	E440 A441 L442	E440-K444 WeakPolarHBondContact O-CG 3.31Å; E440-K444 PolarHBondContact O-N 3.09Å; E440-K444 VanDerWaalsContact OE1-CE 3.29Å; E440-K444 WeakPolarHBondContact OE1-CE 3.45Å; E440-K444 IonicContact OE1-NZ 3.23Å; E440-K444 PolarHBondContact OE1-NZ 3.1Å; A441-K444 PolarHBondContact O-N 3.13Å; L442-K444 VanDerWaalsContact C-N 3.26Å; L442-K444 PolarHBondContact O-N 2.93Å
445	L	89.8	Confident	91.9	Very high	72 Å²	72	59.8 Å²	59.8	38%	0.377	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-14.6	-179.6	-56.1	168.6	0	0	0	113.4	R393 A396 L442 S443	R393-L445 HydrophobicContact CB-CD1 4.21Å; R393-L445 HydrophobicContact CG-CD1 3.6Å; R393-L445 HydrophobicContact CG-CD2 4.03Å; R393-L445 HydrophobicContact CG-CG 4.39Å; A396-L445 HydrophobicContact CB-CD1 3.7Å; L442-L445 HydrophobicContact CD2-CD1 4.25Å; L442-L445 WeakPolarHBondContact O-CB 3.4Å; L442-L445 PolarHBondContact O-N 3.19Å; S443-L445 PolarHBondContact O-N 3.18Å
446	D	74.7	Confident	91.9	Very high	143 Å²	143	63.8 Å²	63.8	77%	0.765	33%	0.332	S	S	*	.			trans	-71.8	0	172.1	-65.5	-32.9	0	0	0	109.8	K405	K405-D446 IonicContact NZ-OD2 3.74Å; K405-D446 PolarHBondContact NZ-OD2 2.94Å

Retrieved 446 of 446 residues in 134.9 ms (Link to these results)

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