A0A077Z379_TRITR Loading...

Homeobox protein unc-62

AlphaFold DB , UniProt , Accession A0A077Z379, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 601 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	30.7	Very low	35.2	Very low	218 Å²	218	112.2 Å²	112.2	100%	1.074	60%	0.6	S	S	*	*				0	-38.7	0	-96.1	136.2	165.7	0	0	114.1	Q3 R4	M1-Q3 PolarHBondContact O-N 3.35Å; M1-R4 PolarHBondContact O-N 3.34Å
2	A	27.8	Very low	35.3	Very low	96 Å²	96	113 Å²	113	79%	0.793	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	17.4	-175.9	0	0	0	0	0	118.4
3	Q	29.2	Very low	35.5	Very low	199 Å²	199	110 Å²	110	93%	0.93	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.6	10.7	179.5	-81	177	-41	0	0	113.4	M1	M1-Q3 PolarHBondContact O-N 3.35Å
4	R	34.3	Very low	36	Very low	212 Å²	212	103.1 Å²	103.1	80%	0.8	54%	0.538	S	S	*	.			trans	-101.1	3	178.8	-76.7	-167.2	179.2	-175.6	1.5	114.9	M1 D6	M1-R4 PolarHBondContact O-N 3.34Å; R4-D6 PolarHBondContact O-N 3.21Å; R4-D6 VanDerWaalsContact O-N 3.09Å
5	F	37.8	Very low	36.2	Very low	89 Å²	89	99.9 Å²	99.9	39%	0.39	52%	0.522	S	S	.	.			trans	-79.5	89.1	172.7	-73.1	-82.9	0	0	0	109.7	D7 M126 F131	F5-D7 PolarHBondContact O-N 3.14Å; F5-M126 HydrophobicContact CB-CE 4.27Å; F5-M126 HydrophobicContact CD1-CE 3.77Å; F5-M126 HydrophobicContact CD1-SD 4.41Å; F5-M126 HydrophobicContact CD2-CE 3.45Å; F5-M126 VanDerWaalsContact CD2-CE 3.45Å; F5-M126 HydrophobicContact CE1-CE 3.87Å; F5-M126 HydrophobicContact CE2-CE 3.57Å; F5-M126 HydrophobicContact CG-CE 3.55Å; F5-M126 HydrophobicContact CZ-CE 3.77Å; F5-F131 HydrophobicContact CZ-CZ 4.39Å
6	D	36	Very low	36.7	Very low	123 Å²	123	99.3 Å²	99.3	66%	0.658	52%	0.515	S	S	*	.			trans	-67	122.2	173.1	-142	-63.2	0	0	0	109.5	R4 S8 A9	R4-D6 PolarHBondContact O-N 3.21Å; R4-D6 VanDerWaalsContact O-N 3.09Å; D6-S8 PolarHBondContact O-N 3.02Å; D6-S8 VanDerWaalsContact O-N 3.14Å; D6-A9 PolarHBondContact O-N 3.15Å
7	D	39.8	Very low	36.9	Very low	83 Å²	83	95.4 Å²	95.4	44%	0.444	50%	0.499	S	S	.	.	H	α-helix	trans	-58.7	-31	-171.4	-116.8	-77.2	0	0	0	112.5	F5 S11 K119	F5-D7 PolarHBondContact O-N 3.14Å; D7-S11 PolarHBondContact O-N 3.26Å; D7-K119 IonicContact OD1-NZ 2.75Å; D7-K119 PolarHBondContact OD1-NZ 3.32Å
8	S	36.5	Very low	37	Very low	86 Å²	86	91.4 Å²	91.4	60%	0.601	48%	0.48	S	S	*	.	H	α-helix	trans	-64.3	-47.8	-176.9	-170.9	0	0	0	0	113	D6 V10 S11 H12	D6-S8 PolarHBondContact O-N 3.02Å; D6-S8 VanDerWaalsContact O-N 3.14Å; S8-V10 PolarHBondContact O-N 3.1Å; S8-S11 PolarHBondContact O-N 3.11Å; S8-H12 PolarHBondContact O-N 3.29Å
9	A	39.2	Very low	37.5	Very low	40 Å²	40	90.8 Å²	90.8	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-61.5	-49.8	-174.7	0	0	0	0	0	110.9	D6 S11 H12 Y13	D6-A9 PolarHBondContact O-N 3.15Å; A9-S11 PolarHBondContact O-N 2.83Å; A9-H12 PolarHBondContact O-N 2.8Å; A9-Y13 WeakPolarHBondContact O-CD2 3.43Å; A9-Y13 PolarHBondContact O-N 3.35Å
10	V	39.7	Very low	37.8	Very low	41 Å²	41	91.1 Å²	91.1	25%	0.248	48%	0.479	C	S	.	.	H	α-helix	trans	-67.9	-38.1	-178.5	-168.2	0	0	0	0	111.2	S8 H12 Y13 V14 K122	S8-V10 PolarHBondContact O-N 3.1Å; V10-H12 VanDerWaalsContact C-N 3.31Å; V10-H12 PolarHBondContact O-N 3.09Å; V10-Y13 PolarHBondContact O-N 2.99Å; V10-V14 HydrophobicContact CG1-CG2 4.08Å; V10-V14 WeakPolarHBondContact O-CB 3.35Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 2.92Å; V10-K122 HydrophobicContact CB-CD 4.17Å; V10-K122 HydrophobicContact CG1-CD 3.57Å; V10-K122 HydrophobicContact CG1-CG 4.04Å
11	S	36	Very low	38.4	Very low	47 Å²	47	91.8 Å²	91.8	33%	0.329	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-35.9	177.3	-151.7	0	0	0	0	112.6	D7 S8 A9 L15	D7-S11 PolarHBondContact O-N 3.26Å; S8-S11 PolarHBondContact O-N 3.11Å; A9-S11 PolarHBondContact O-N 2.83Å; S11-L15 WeakPolarHBondContact O-CB 3.38Å; S11-L15 WeakPolarHBondContact O-CG 3.26Å; S11-L15 PolarHBondContact O-N 3.3Å; S11-L15 VanDerWaalsContact O-N 3.12Å
12	H	37.4	Very low	38.9	Very low	122 Å²	122	87.7 Å²	87.7	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-74.2	-41.4	177.1	-167.4	-83.4	0	0	0	112.9	S8 A9 V10 V14 L15 Q16	S8-H12 PolarHBondContact O-N 3.29Å; A9-H12 PolarHBondContact O-N 2.8Å; V10-H12 VanDerWaalsContact C-N 3.31Å; V10-H12 PolarHBondContact O-N 3.09Å; H12-V14 VanDerWaalsContact C-N 3.27Å; H12-V14 PolarHBondContact O-N 3.25Å; H12-L15 PolarHBondContact O-N 2.81Å; H12-Q16 WeakPolarHBondContact O-CB 3.32Å; H12-Q16 PolarHBondContact O-N 2.87Å
13	Y	37.7	Very low	40	Very low	74 Å²	74	85.8 Å²	85.8	29%	0.29	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-32.2	175.4	-90.2	-78.1	0	0	0	112.5	A9 V10 S17 F507 E510	A9-Y13 WeakPolarHBondContact O-CD2 3.43Å; A9-Y13 PolarHBondContact O-N 3.35Å; V10-Y13 PolarHBondContact O-N 2.99Å; Y13-S17 WeakPolarHBondContact O-CB 3.3Å; Y13-S17 PolarHBondContact O-N 3.24Å; Y13-S17 PolarHBondContact O-OG 2.9Å; Y13-F507 AromaticContact CD1-CE2 3.99Å; Y13-F507 HydrophobicContact CD1-CE2 3.99Å; Y13-F507 HydrophobicContact CE1-CD2 4.19Å; Y13-F507 AromaticContact CE1-CE2 3.71Å; Y13-F507 HydrophobicContact CE1-CE2 3.71Å; Y13-E510 PolarHBondContact OH-OE2 3.17Å
14	V	42.3	Very low	40.7	Very low	13 Å²	13	79.1 Å²	79.1	8%	0.079	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-53.4	173.5	152.3	0	0	0	0	111.9	V10 H12 Q16 S17 S18 L118	V10-V14 HydrophobicContact CG1-CG2 4.08Å; V10-V14 WeakPolarHBondContact O-CB 3.35Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 2.92Å; H12-V14 VanDerWaalsContact C-N 3.27Å; H12-V14 PolarHBondContact O-N 3.25Å; V14-Q16 PolarHBondContact O-N 2.85Å; V14-S17 PolarHBondContact O-N 3.3Å; V14-S18 PolarHBondContact O-N 2.84Å; V14-L118 HydrophobicContact CB-CD1 4.22Å; V14-L118 HydrophobicContact CG1-CB 3.61Å; V14-L118 HydrophobicContact CG1-CD1 3.84Å; V14-L118 HydrophobicContact CG1-CD2 4.42Å; V14-L118 HydrophobicContact CG1-CG 4.12Å; V14-L118 HydrophobicContact CG2-CB 4.34Å; V14-L118 HydrophobicContact CG2-CD1 3.97Å; V14-L118 HydrophobicContact CG2-CD2 3.55Å; V14-L118 HydrophobicContact CG2-CG 4.13Å
15	L	39.3	Very low	41.1	Very low	56 Å²	56	71.8 Å²	71.8	29%	0.293	41%	0.409	S	S	.	.	H	α-helix	trans	-50.5	-55.5	173.6	-90.5	162.5	0	0	0	111	S11 H12 S17 S18 L19 D115	S11-L15 WeakPolarHBondContact O-CB 3.38Å; S11-L15 WeakPolarHBondContact O-CG 3.26Å; S11-L15 PolarHBondContact O-N 3.3Å; S11-L15 VanDerWaalsContact O-N 3.12Å; H12-L15 PolarHBondContact O-N 2.81Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.49Å; L15-S18 WeakPolarHBondContact O-CB 3.43Å; L15-S18 PolarHBondContact O-N 2.97Å; L15-S18 VanDerWaalsContact O-N 3.15Å; L15-L19 PolarHBondContact O-N 3.09Å; L15-D115 VanDerWaalsContact CD2-CG 3.4Å; L15-D115 WeakPolarHBondContact CD2-OD1 3.43Å; L15-D115 WeakPolarHBondContact CD2-OD2 3.46Å; L15-D115 WeakPolarHBondContact CG-OD1 3.25Å
16	Q	43.1	Very low	41.5	Very low	89 Å²	89	70.4 Å²	70.4	42%	0.416	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-38.7	-176.5	-169.8	60.8	51.4	0	0	112.3	H12 V14 L19 D20	H12-Q16 WeakPolarHBondContact O-CB 3.32Å; H12-Q16 PolarHBondContact O-N 2.87Å; V14-Q16 PolarHBondContact O-N 2.85Å; Q16-L19 PolarHBondContact O-N 3.21Å; Q16-D20 PolarHBondContact NE2-OD2 3.32Å; Q16-D20 PolarHBondContact O-N 3.43Å
17	S	40.7	Very low	41.9	Very low	34 Å²	34	67.6 Å²	67.6	24%	0.238	41%	0.408	C	S	.	.	H	α-helix	trans	-69.9	-33.3	177.6	-54.5	0	0	0	0	112.4	Y13 V14 L15 L21	Y13-S17 WeakPolarHBondContact O-CB 3.3Å; Y13-S17 PolarHBondContact O-N 3.24Å; Y13-S17 PolarHBondContact O-OG 2.9Å; V14-S17 PolarHBondContact O-N 3.3Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.49Å; S17-L21 VanDerWaalsContact O-CB 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.35Å; S17-L21 PolarHBondContact O-N 2.98Å; S17-L21 VanDerWaalsContact O-N 3.1Å
18	S	38.9	Very low	42.2	Very low	24 Å²	24	66.4 Å²	66.4	17%	0.168	41%	0.409	C	S	.	.	H	α-helix	trans	-67	-38.4	174.1	-164.9	0	0	0	0	111.8	V14 L15 H22 S114	V14-S18 PolarHBondContact O-N 2.84Å; L15-S18 WeakPolarHBondContact O-CB 3.43Å; L15-S18 PolarHBondContact O-N 2.97Å; L15-S18 VanDerWaalsContact O-N 3.15Å; S18-H22 WeakPolarHBondContact O-CB 3.17Å; S18-H22 PolarHBondContact O-N 3.38Å; S18-H22 VanDerWaalsContact O-N 3.12Å; S18-H22 PolarHBondContact O-ND1 3.24Å; S18-S114 PolarHBondContact OG-OG 3.29Å; S18-S114 VanDerWaalsContact OG-OG 3.05Å
19	L	46	Very low	42.7	Very low	80 Å²	80	65.8 Å²	65.8	42%	0.419	41%	0.409	S	S	.	.	H	α-helix	trans	-66.5	-51.1	174.7	-92.1	147.6	0	0	0	112.7	L15 Q16 L21 H22 A23	L15-L19 PolarHBondContact O-N 3.09Å; Q16-L19 PolarHBondContact O-N 3.21Å; L19-L21 PolarHBondContact O-N 2.87Å; L19-H22 PolarHBondContact O-N 2.83Å; L19-A23 WeakPolarHBondContact O-CB 3.19Å; L19-A23 PolarHBondContact O-N 2.83Å
20	D	44	Very low	43.1	Very low	95 Å²	95	67.5 Å²	67.5	51%	0.508	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-37.7	179.6	-89.2	-74.1	0	0	0	112.3	Q16 A23 A24	Q16-D20 PolarHBondContact NE2-OD2 3.32Å; Q16-D20 PolarHBondContact O-N 3.43Å; D20-A23 PolarHBondContact O-N 3.14Å; D20-A24 WeakPolarHBondContact O-CB 3.27Å; D20-A24 PolarHBondContact O-N 3.03Å
21	L	49.3	Very low	43.2	Very low	107 Å²	107	68.5 Å²	68.5	56%	0.56	44%	0.442	S	S	*	.	H	α-helix	trans	-67.6	-38.8	175.6	-167.7	67.4	0	0	0	112	S17 L19 A25	S17-L21 VanDerWaalsContact O-CB 3.3Å; S17-L21 WeakPolarHBondContact O-CB 3.35Å; S17-L21 PolarHBondContact O-N 2.98Å; S17-L21 VanDerWaalsContact O-N 3.1Å; L19-L21 PolarHBondContact O-N 2.87Å; L21-A25 WeakPolarHBondContact O-CB 3.39Å; L21-A25 PolarHBondContact O-N 3Å
22	H	42.9	Very low	43.6	Very low	131 Å²	131	76.8 Å²	76.8	61%	0.606	47%	0.467	S	S	*	.	H	α-helix	trans	-65.8	-38.8	171.7	-90.3	91.7	0	0	0	112.5	S18 L19 A25 A26	S18-H22 WeakPolarHBondContact O-CB 3.17Å; S18-H22 PolarHBondContact O-N 3.38Å; S18-H22 VanDerWaalsContact O-N 3.12Å; S18-H22 PolarHBondContact O-ND1 3.24Å; L19-H22 PolarHBondContact O-N 2.83Å; H22-A25 PolarHBondContact O-N 3.47Å; H22-A26 WeakPolarHBondContact O-CB 3.42Å; H22-A26 PolarHBondContact O-N 3.42Å
23	A	49.3	Very low	43.6	Very low	57 Å²	57	74.2 Å²	74.2	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-64.5	-43.9	176.5	0	0	0	0	0	111.5	L19 D20 A26 A27	L19-A23 WeakPolarHBondContact O-CB 3.19Å; L19-A23 PolarHBondContact O-N 2.83Å; D20-A23 PolarHBondContact O-N 3.14Å; A23-A26 PolarHBondContact O-N 3.23Å; A23-A27 WeakPolarHBondContact O-CB 3.49Å; A23-A27 PolarHBondContact O-N 2.84Å
24	A	44.1	Very low	43.4	Very low	58 Å²	58	78.1 Å²	78.1	48%	0.479	50%	0.5	S	S	.	.	H	α-helix	trans	-64.1	-44	175.5	0	0	0	0	0	112.3	D20 A27 A28	D20-A24 WeakPolarHBondContact O-CB 3.27Å; D20-A24 PolarHBondContact O-N 3.03Å; A24-A27 PolarHBondContact O-N 3.43Å; A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 3.33Å
25	A	44.5	Very low	43.1	Very low	59 Å²	59	82.2 Å²	82.2	49%	0.488	54%	0.535	S	S	.	.	H	α-helix	trans	-64.9	-39.7	176.2	0	0	0	0	0	112.4	L21 H22 A28 A29	L21-A25 WeakPolarHBondContact O-CB 3.39Å; L21-A25 PolarHBondContact O-N 3Å; H22-A25 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 2.99Å; A25-A29 WeakPolarHBondContact O-CB 3.22Å; A25-A29 PolarHBondContact O-N 3.45Å
26	A	45	Very low	42.9	Very low	59 Å²	59	82.9 Å²	82.9	49%	0.488	56%	0.555	S	S	.	*	H	α-helix	trans	-66.7	-39.7	175	0	0	0	0	0	112.1	H22 A23 A29 A30	H22-A26 WeakPolarHBondContact O-CB 3.42Å; H22-A26 PolarHBondContact O-N 3.42Å; A23-A26 PolarHBondContact O-N 3.23Å; A26-A29 PolarHBondContact O-N 3.48Å; A26-A30 WeakPolarHBondContact O-CB 3.17Å; A26-A30 PolarHBondContact O-N 2.79Å
27	A	44.3	Very low	42.5	Very low	65 Å²	65	84.7 Å²	84.7	54%	0.537	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-42.1	174.4	0	0	0	0	0	111.9	A23 A24 A30 G31	A23-A27 WeakPolarHBondContact O-CB 3.49Å; A23-A27 PolarHBondContact O-N 2.84Å; A24-A27 PolarHBondContact O-N 3.43Å; A27-A30 PolarHBondContact O-N 3.37Å; A27-G31 PolarHBondContact O-N 2.92Å
28	A	45.4	Very low	42.1	Very low	58 Å²	58	90.8 Å²	90.8	48%	0.479	60%	0.602	S	S	.	*	H	α-helix	trans	-62.7	-45.4	174	0	0	0	0	0	111.9	A24 A25 A30 G31 Y32	A24-A28 WeakPolarHBondContact O-CB 3.3Å; A24-A28 PolarHBondContact O-N 3.33Å; A25-A28 PolarHBondContact O-N 2.99Å; A28-A30 PolarHBondContact O-N 3.46Å; A28-G31 PolarHBondContact O-N 2.99Å; A28-Y32 WeakPolarHBondContact O-CD2 3.33Å; A28-Y32 PolarHBondContact O-N 3.36Å
29	A	47.4	Very low	42	Very low	73 Å²	73	94.3 Å²	94.3	60%	0.603	63%	0.633	S	S	*	*	H	α-helix	trans	-63.5	-38.3	177	0	0	0	0	0	112.8	A25 A26	A25-A29 WeakPolarHBondContact O-CB 3.22Å; A25-A29 PolarHBondContact O-N 3.45Å; A26-A29 PolarHBondContact O-N 3.48Å
30	A	47.3	Very low	41.5	Very low	76 Å²	76	97.1 Å²	97.1	63%	0.628	65%	0.653	S	S	*	*	H	α-helix	trans	-69.6	-35.4	175.1	0	0	0	0	0	112.6	A26 A27 A28 Y32 G33	A26-A30 WeakPolarHBondContact O-CB 3.17Å; A26-A30 PolarHBondContact O-N 2.79Å; A27-A30 PolarHBondContact O-N 3.37Å; A28-A30 PolarHBondContact O-N 3.46Å; A30-Y32 VanDerWaalsContact C-N 3.32Å; A30-Y32 PolarHBondContact O-N 3.06Å; A30-G33 PolarHBondContact O-N 2.97Å
31	G	42.8	Very low	41.2	Very low	61 Å²	61	98.2 Å²	98.2	63%	0.629	67%	0.665	S	S	*	*	H	α-helix	trans	-65.4	-27.7	-179.8	0	0	0	0	0	114.7	A27 A28 G33	A27-G31 PolarHBondContact O-N 2.92Å; A28-G31 PolarHBondContact O-N 2.99Å; G31-G33 VanDerWaalsContact C-N 3.34Å
32	Y	43.3	Very low	40.7	Very low	222 Å²	222	99 Å²	99	87%	0.871	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-0.8	177.9	-86	-86.5	0	0	0	114.5	A28 A30	A28-Y32 WeakPolarHBondContact O-CD2 3.33Å; A28-Y32 PolarHBondContact O-N 3.36Å; A30-Y32 VanDerWaalsContact C-N 3.32Å; A30-Y32 PolarHBondContact O-N 3.06Å
33	G	37.1	Very low	40.5	Very low	68 Å²	68	98.1 Å²	98.1	70%	0.701	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-5.2	-174.1	0	0	0	0	0	116.9	A30 G31	A30-G33 PolarHBondContact O-N 2.97Å; G31-G33 VanDerWaalsContact C-N 3.34Å
34	N	34.2	Very low	40.5	Very low	155 Å²	155	101.7 Å²	101.7	83%	0.829	70%	0.699	S	S	*	*			trans	-146.8	63.6	-168	-164.7	26.5	0	0	0	114.6
35	A	37	Very low	40.2	Very low	100 Å²	100	104 Å²	104	83%	0.826	72%	0.717	S	S	*	*			trans	-127.1	126.1	164.4	0	0	0	0	0	109.5
36	G	34.2	Very low	39.7	Very low	69 Å²	69	105.8 Å²	105.8	71%	0.711	73%	0.733	S	S	*	*			trans	-78.3	139.6	-161.6	0	0	0	0	0	116.4
37	T	35.1	Very low	39.3	Very low	127 Å²	127	108 Å²	108	78%	0.779	75%	0.751	S	S	*	*			trans	37.9	130.9	136.5	57.4	0	0	0	0	121.3
38	N	31.8	Very low	38.9	Very low	162 Å²	162	110.3 Å²	110.3	87%	0.866	76%	0.758	S	S	*	*			trans	84	81.3	162.9	-55.2	-63.5	0	0	0	118.9
39	A	36.8	Very low	38.5	Very low	99 Å²	99	115.1 Å²	115.1	82%	0.818	77%	0.773	S	S	*	*			trans	-157.6	128.9	135.7	0	0	0	0	0	110.6
40	V	35.2	Very low	38	Very low	138 Å²	138	117 Å²	117	84%	0.836	78%	0.781	S	S	*	*			trans	-120.5	129.8	167.9	173.7	0	0	0	0	107.8
41	P	38.7	Very low	37.6	Very low	118 Å²	118	117.9 Å²	117.9	77%	0.766	78%	0.783	S	S	*	*			trans	-141.7	115.4	138.2	27.1	-7.7	0	0	0	114.6
42	V	37.5	Very low	37.2	Very low	124 Å²	124	122.8 Å²	122.8	75%	0.752	80%	0.795	S	S	*	*			trans	28.5	125.2	133.1	-169.3	0	0	0	0	120
43	P	39.7	Very low	36.9	Very low	112 Å²	112	117.5 Å²	117.5	73%	0.727	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-85.4	148.5	165.9	35.5	-33.5	0	0	0	112.9
44	P	48.4	Very low	36.9	Very low	133 Å²	133	123.3 Å²	123.3	86%	0.864	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.1	147	174.2	31.8	-33.8	0	0	0	112.7
45	A	39.3	Very low	37.1	Very low	105 Å²	105	121.7 Å²	121.7	87%	0.868	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-85.6	162.6	-176.2	0	0	0	0	0	113.8
46	A	33.6	Very low	36.8	Very low	98 Å²	98	122.4 Å²	122.4	81%	0.81	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-71.7	150.8	-177	0	0	0	0	0	114.3
47	A	37.3	Very low	37	Very low	104 Å²	104	124.6 Å²	124.6	86%	0.86	80%	0.798	S	S	*	*			trans	-124	123.6	159.4	0	0	0	0	0	109.2
48	T	35.9	Very low	36.9	Very low	114 Å²	114	123.8 Å²	123.8	70%	0.699	80%	0.798	S	S	*	*			trans	-102.9	158.1	179.1	-50.2	0	0	0	0	109.6
49	M	36.7	Very low	36.7	Very low	159 Å²	159	122 Å²	122	78%	0.783	80%	0.798	S	S	*	*			trans	135.5	114.9	138.9	-68	-61.2	166.2	0	0	114
50	S	36.5	Very low	36.4	Very low	112 Å²	112	124.8 Å²	124.8	78%	0.783	80%	0.798	S	S	*	*			trans	60.7	153	150.3	-64.7	0	0	0	0	121.2
51	S	37.8	Very low	36.1	Very low	96 Å²	96	123.3 Å²	123.3	67%	0.671	79%	0.793	S	S	*	*			cis	-174.8	128.2	-23.8	-86.4	0	0	0	0	106.4
52	D	34.8	Very low	35.6	Very low	163 Å²	163	127.1 Å²	127.1	87%	0.872	80%	0.797	S	S	*	*			trans	171.6	143	137.7	-95.3	-36.6	0	0	0	112.2
53	P	37.3	Very low	35.2	Very low	112 Å²	112	130.9 Å²	130.9	73%	0.727	80%	0.8	S	S	*	*			trans	-120.1	137.2	-174.8	38.2	-25.4	0	0	0	115.1
54	Q	37.1	Very low	34.7	Very low	190 Å²	190	133 Å²	133	89%	0.888	80%	0.8	S	S	*	*			trans	-166.8	149.3	147.9	-117.2	172.3	11.1	0	0	115.7
55	S	38	Very low	33.8	Very low	120 Å²	120	133.2 Å²	133.2	84%	0.839	80%	0.799	S	S	*	*			trans	74.2	122.7	165.2	65.2	0	0	0	0	120.1
56	S	31	Very low	33.4	Very low	115 Å²	115	132.3 Å²	132.3	80%	0.804	78%	0.782	S	S	*	*			trans	-78.6	167.4	-179.9	-35.1	0	0	0	0	112.9
57	P	38.5	Very low	33.2	Very low	116 Å²	116	132.7 Å²	132.7	75%	0.753	78%	0.779	S	S	*	*				-145.9	152.4	81.2	36.1	-17.8	0	0	0	117.9
58	S	32.8	Very low	33	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	78%	0.783	S	S	*	*			trans	57.2	101.3	141.1	-56	0	0	0	0	122
59	S	28.5	Very low	32.7	Very low	123 Å²	123	134.9 Å²	134.9	86%	0.86	79%	0.785	S	S	*	*			trans	37.9	90.1	139.6	-60.6	0	0	0	0	119.8
60	L	30.4	Very low	32.4	Very low	159 Å²	159	136.7 Å²	136.7	83%	0.832	79%	0.791	S	S	*	*			trans	-107.4	120.8	141.1	-77.6	173.3	0	0	0	109	F62	L60-F62 PolarHBondContact O-N 3.36Å
61	C	28.5	Very low	32.1	Very low	106 Å²	106	136.5 Å²	136.5	72%	0.716	80%	0.796	S	S	*	*			trans	-80.9	97.2	-179.3	-164.5	0	0	0	0	109.9	Y63	C61-Y63 PolarHBondContact O-N 3.37Å; C61-Y63 VanDerWaalsContact O-N 3.16Å
62	F	28	Very low	31.7	Very low	198 Å²	198	136.6 Å²	136.6	87%	0.868	80%	0.803	S	S	*	*			trans	-72.6	99.6	166.8	-88.3	-90.2	0	0	0	109.7	L60 Q64	L60-F62 PolarHBondContact O-N 3.36Å; F62-Q64 PolarHBondContact O-N 3.27Å
63	Y	29.3	Very low	31.6	Very low	203 Å²	203	133.9 Å²	133.9	80%	0.796	80%	0.803	S	S	*	*			trans	-86.1	96.8	162.4	-103.9	-79.7	0	0	0	110.4	C61 V65	C61-Y63 PolarHBondContact O-N 3.37Å; C61-Y63 VanDerWaalsContact O-N 3.16Å; Y63-V65 PolarHBondContact O-N 2.84Å
64	Q	29.1	Very low	31.4	Very low	157 Å²	157	133.6 Å²	133.6	73%	0.734	81%	0.811	S	S	*	*			trans	-63.8	114.6	160.5	-179.7	-168.3	14.2	0	0	108.7	F62	F62-Q64 PolarHBondContact O-N 3.27Å
65	V	29.3	Very low	31.2	Very low	138 Å²	138	131.5 Å²	131.5	84%	0.836	81%	0.81	S	S	*	*			trans	-93.1	100.6	163.6	176.2	0	0	0	0	108.3	Y63	Y63-V65 PolarHBondContact O-N 2.84Å
66	T	32.1	Very low	31	Very low	86 Å²	86	130.4 Å²	130.4	53%	0.528	81%	0.809	S	S	.	*			trans	-72.2	153.5	178.9	-48.5	0	0	0	0	111.2
67	S	28.6	Very low	31.3	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	81%	0.811	S	S	*	*			trans	-40.2	128.5	-177.1	57.5	0	0	0	0	116.9
68	M	32.2	Very low	31.2	Very low	193 Å²	193	130.6 Å²	130.6	95%	0.951	82%	0.819	S	S	*	*			trans	-132.8	69.3	153.6	-83.2	-165.8	72.7	0	0	110.7
69	G	30.2	Very low	31.5	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	82%	0.818	S	S	*	*			trans	-115	58.1	175.4	0	0	0	0	0	112.4
70	Q	31.2	Very low	32.1	Very low	198 Å²	198	134.6 Å²	134.6	93%	0.925	82%	0.823	S	S	*	*			trans	-169	103.1	167.8	-112.9	166.4	61.2	0	0	110.9
71	A	28.7	Very low	32.4	Very low	107 Å²	107	131 Å²	131	88%	0.884	82%	0.824	S	S	*	*			trans	-154.8	59.9	171.7	0	0	0	0	0	111.2
72	A	30.1	Very low	32.8	Very low	98 Å²	98	129.6 Å²	129.6	81%	0.81	83%	0.828	S	S	*	*			trans	-139.7	136.7	167.7	0	0	0	0	0	109.2
73	A	32.3	Very low	33.6	Very low	107 Å²	107	125.1 Å²	125.1	88%	0.884	83%	0.827	S	S	*	*			trans	66.4	100.2	-177.7	0	0	0	0	0	117.5
74	A	32.5	Very low	34.2	Very low	106 Å²	106	121.2 Å²	121.2	88%	0.876	83%	0.827	S	S	*	*				-159.1	120.4	129.8	0	0	0	0	0	111.2
75	V	32.9	Very low	34.7	Very low	145 Å²	145	123.4 Å²	123.4	88%	0.879	84%	0.837	S	S	*	*			trans	-64.6	152.2	179.5	-81.7	0	0	0	0	115.4
76	A	34.1	Very low	35.5	Very low	98 Å²	98	121.2 Å²	121.2	81%	0.81	83%	0.833	S	S	*	*			trans	-6.7	158.9	152.6	0	0	0	0	0	122.3
77	A	38.7	Very low	36.2	Very low	103 Å²	103	122.5 Å²	122.5	85%	0.851	84%	0.843	S	S	*	*			trans	93.2	104.8	156.9	0	0	0	0	0	118.4
78	S	36.4	Very low	36.8	Very low	131 Å²	131	123.2 Å²	123.2	92%	0.916	85%	0.848	S	S	*	*			trans	-80.1	138.4	164.8	-45.6	0	0	0	0	111.1
79	G	39	Very low	37.2	Very low	74 Å²	74	118.1 Å²	118.1	76%	0.763	85%	0.845	S	S	*	*			trans	165	87.6	170.3	0	0	0	0	0	117
80	Y	40	Very low	37.6	Very low	243 Å²	243	119.6 Å²	119.6	95%	0.953	85%	0.85	S	S	*	*			trans	-4.7	118.4	161.9	-77	-94.4	0	0	0	120.7
81	G	37	Very low	38.2	Very low	84 Å²	84	116 Å²	116	87%	0.866	85%	0.847	S	S	*	*				90.6	127.7	120.7	0	0	0	0	0	120.5
82	G	36.8	Very low	38.7	Very low	76 Å²	76	116.3 Å²	116.3	78%	0.784	84%	0.843	S	S	*	*			trans	134.3	78.4	148.8	0	0	0	0	0	119.8
83	A	44.2	Very low	39.4	Very low	104 Å²	104	117.5 Å²	117.5	86%	0.86	84%	0.842	S	S	*	*			trans	59.5	157.2	148.1	0	0	0	0	0	121.7
84	P	42.6	Very low	39.9	Very low	121 Å²	121	118.2 Å²	118.2	79%	0.786	84%	0.838	S	S	*	*			trans	-122.2	149.2	-162.5	39.3	-24.8	0	0	0	116.4
85	Q	40.4	Very low	40	Very low	204 Å²	204	116.4 Å²	116.4	95%	0.953	83%	0.83	S	S	*	*			trans	-158.8	156.4	149.9	-122	171.2	18.5	0	0	112.4
86	A	45.3	Very low	40.3	Very low	91 Å²	91	115 Å²	115	75%	0.752	83%	0.826	S	S	*	*			trans	-128.7	-171.4	-172.2	0	0	0	0	0	109.9
87	P	47.8	Very low	40.7	Very low	113 Å²	113	116.1 Å²	116.1	73%	0.734	83%	0.828	S	S	*	*			cis	-128.9	-167.9	-36	29.3	-9	0	0	0	112
88	S	41.4	Very low	41	Very low	121 Å²	121	119.4 Å²	119.4	85%	0.846	83%	0.825	S	S	*	*			trans	105.9	127.3	152.5	-41.2	0	0	0	0	117.7
89	G	40.2	Very low	41.2	Very low	85 Å²	85	120.4 Å²	120.4	88%	0.876	82%	0.821	S	S	*	*			trans	155.8	107.8	170.5	0	0	0	0	0	112
90	A	38.9	Very low	41.4	Very low	102 Å²	102	124.9 Å²	124.9	84%	0.843	82%	0.821	S	S	*	*			trans	-104.8	139.8	-173.7	0	0	0	0	0	113
91	S	43.1	Very low	41.6	Very low	123 Å²	123	118.4 Å²	118.4	86%	0.86	81%	0.807	S	S	*	*			trans	-173.7	124.4	148.5	42.2	0	0	0	0	112.6
92	S	38.7	Very low	41.7	Very low	114 Å²	114	121.1 Å²	121.1	80%	0.797	80%	0.801	S	S	*	*			trans	-88.5	166.3	157.6	-38.3	0	0	0	0	108.4
93	P	44.6	Very low	41.9	Very low	122 Å²	122	119.6 Å²	119.6	79%	0.792	78%	0.781	S	S	*	*				-147.7	-139.7	58.2	35	-7	0	0	0	113.6
94	P	43.7	Very low	41.8	Very low	123 Å²	123	117.2 Å²	117.2	80%	0.799	76%	0.761	S	S	*	*				-127.6	171.6	-100.3	41.3	-24.4	0	0	0	116.2
95	G	33.7	Very low	41.9	Very low	68 Å²	68	115.9 Å²	115.9	70%	0.701	75%	0.751	S	S	*	*			trans	111	112.6	143	0	0	0	0	0	120.3
96	S	39.3	Very low	42.1	Very low	116 Å²	116	109 Å²	109	81%	0.811	73%	0.729	S	S	*	*			trans	78.7	131.8	131.1	-53.4	0	0	0	0	123.1
97	S	43.9	Very low	42.1	Very low	120 Å²	120	111 Å²	111	84%	0.839	72%	0.722	S	S	*	*			trans	81.3	49.1	142.9	-54.6	0	0	0	0	121.8
98	Q	44.5	Very low	42	Very low	172 Å²	172	112.3 Å²	112.3	80%	0.804	72%	0.718	S	S	*	*			trans	-113.5	-10.5	165.4	-74.1	-172	-20.9	0	0	116.4	H100	Q98-H100 PolarHBondContact O-N 2.88Å
99	N	40.3	Very low	41.8	Very low	152 Å²	152	115.2 Å²	115.2	81%	0.813	71%	0.711	S	S	*	*	H	α-helix	trans	-79.6	-13.5	-170.3	-69	-19.2	0	0	0	115.9
100	H	42.4	Very low	41.9	Very low	168 Å²	168	114 Å²	114	78%	0.778	69%	0.692	S	S	*	*	H	α-helix	trans	-86.7	-17.3	-173.7	-147.1	-64.2	0	0	0	114.4	Q98	Q98-H100 PolarHBondContact O-N 2.88Å
101	V	44	Very low	42.2	Very low	108 Å²	108	112.2 Å²	112.2	66%	0.655	67%	0.666	S	S	*	*	H	α-helix	trans	-85.1	-37.5	-178.7	-178.9	0	0	0	0	111.3	T105	V101-T105 PolarHBondContact O-N 3.12Å; V101-T105 PolarHBondContact O-OG1 3.19Å; V101-T105 VanDerWaalsContact O-OG1 3.11Å
102	L	40.4	Very low	42.3	Very low	140 Å²	140	112.1 Å²	112.1	73%	0.733	66%	0.655	S	S	*	*	H	α-helix	trans	-68.5	-36	-179.9	-130.1	75	0	0	0	112.6	A106	L102-A106 PolarHBondContact O-N 2.96Å; L102-A106 VanDerWaalsContact O-N 3.09Å
103	A	40.7	Very low	42.5	Very low	44 Å²	44	111.5 Å²	111.5	36%	0.364	64%	0.643	S	S	.	*	H	α-helix	trans	-63.4	-48.2	176.3	0	0	0	0	0	111.7	T105 A106 H107	A103-T105 VanDerWaalsContact C-N 3.3Å; A103-T105 PolarHBondContact O-N 2.89Å; A103-A106 WeakPolarHBondContact O-CA 3.42Å; A103-A106 WeakPolarHBondContact O-CB 3.29Å; A103-A106 PolarHBondContact O-N 3.39Å; A103-H107 PolarHBondContact O-CD2 3.38Å; A103-H107 PolarHBondContact O-N 3.45Å
104	A	42.4	Very low	43.2	Very low	55 Å²	55	107.1 Å²	107.1	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-58.3	-40.9	178.6	0	0	0	0	0	112.4	A106 H107 H108	A104-A106 VanDerWaalsContact C-N 3.33Å; A104-A106 PolarHBondContact O-N 3.2Å; A104-H107 PolarHBondContact O-N 3.09Å; A104-H108 PolarHBondContact O-N 2.79Å
105	T	45.2	Very low	44.2	Very low	93 Å²	93	102.3 Å²	102.3	57%	0.571	58%	0.582	S	S	*	*	H	α-helix	trans	-69	-30.3	176	-46.9	0	0	0	0	112.7	V101 A103 R109	V101-T105 PolarHBondContact O-N 3.12Å; V101-T105 PolarHBondContact O-OG1 3.19Å; V101-T105 VanDerWaalsContact O-OG1 3.11Å; A103-T105 VanDerWaalsContact C-N 3.3Å; A103-T105 PolarHBondContact O-N 2.89Å; T105-R109 WeakPolarHBondContact O-CB 3.32Å; T105-R109 PolarHBondContact O-N 2.83Å
106	A	42.8	Very low	46	Very low	58 Å²	58	102.4 Å²	102.4	48%	0.479	57%	0.569	S	S	.	*	H	α-helix	trans	-71.6	-40.3	173.6	0	0	0	0	0	112.2	L102 A103 A104 R109 A110	L102-A106 PolarHBondContact O-N 2.96Å; L102-A106 VanDerWaalsContact O-N 3.09Å; A103-A106 WeakPolarHBondContact O-CA 3.42Å; A103-A106 WeakPolarHBondContact O-CB 3.29Å; A103-A106 PolarHBondContact O-N 3.39Å; A104-A106 VanDerWaalsContact C-N 3.33Å; A104-A106 PolarHBondContact O-N 3.2Å; A106-R109 PolarHBondContact O-N 3.42Å; A106-A110 WeakPolarHBondContact O-CB 3.16Å; A106-A110 PolarHBondContact O-N 2.87Å
107	H	45.9	Very low	47.2	Very low	133 Å²	133	101.4 Å²	101.4	62%	0.616	55%	0.552	S	S	*	*	H	α-helix	trans	-61.3	-50.8	177.9	-76.6	-69.9	0	0	0	112.3	A103 A104 R109 A110 E111	A103-H107 PolarHBondContact O-CD2 3.38Å; A103-H107 PolarHBondContact O-N 3.45Å; A104-H107 PolarHBondContact O-N 3.09Å; H107-R109 VanDerWaalsContact C-N 3.26Å; H107-R109 PolarHBondContact O-N 3.32Å; H107-A110 PolarHBondContact O-N 3.47Å; H107-A110 VanDerWaalsContact O-N 3.13Å; H107-E111 PolarHBondContact O-N 2.89Å
108	H	44.8	Very low	48.3	Very low	141 Å²	141	98.9 Å²	98.9	65%	0.653	53%	0.529	S	S	*	.	H	α-helix	trans	-63.2	-30.6	175.6	-88.7	-25.6	0	0	0	113.5	A104 E111 L112	A104-H108 PolarHBondContact O-N 2.79Å; H108-E111 IonicContact ND1-OE2 3.61Å; H108-L112 WeakPolarHBondContact O-CB 3.3Å; H108-L112 PolarHBondContact O-N 3.28Å
109	R	37.3	Very low	49.4	Very low	183 Å²	183	94.2 Å²	94.2	69%	0.691	51%	0.506	S	S	*	.	H	α-helix	trans	-73.8	-31.3	176.1	-169.3	175.8	175.4	95.8	1.2	112	T105 A106 H107 L113	T105-R109 WeakPolarHBondContact O-CB 3.32Å; T105-R109 PolarHBondContact O-N 2.83Å; A106-R109 PolarHBondContact O-N 3.42Å; H107-R109 VanDerWaalsContact C-N 3.26Å; H107-R109 PolarHBondContact O-N 3.32Å; R109-L113 HydrophobicContact CG-CD1 4.38Å; R109-L113 VanDerWaalsContact O-CD1 3.3Å; R109-L113 WeakPolarHBondContact O-CD1 3.49Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.48Å
110	A	43.3	Very low	51	Low	58 Å²	58	92.5 Å²	92.5	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-73.5	-44.6	175.8	0	0	0	0	0	112.2	A106 H107 L113 S114	A106-A110 WeakPolarHBondContact O-CB 3.16Å; A106-A110 PolarHBondContact O-N 2.87Å; H107-A110 PolarHBondContact O-N 3.47Å; H107-A110 VanDerWaalsContact O-N 3.13Å; A110-L113 PolarHBondContact O-N 2.81Å; A110-S114 PolarHBondContact O-N 3.43Å; A110-S114 VanDerWaalsContact O-N 3.1Å
111	E	44.4	Very low	52.5	Low	66 Å²	66	87.7 Å²	87.7	31%	0.308	47%	0.468	S	S	.	.	H	α-helix	trans	-57.5	-53.2	174.8	-77.9	-169.8	121.3	0	0	111.6	H107 H108 L113 S114 D115	H107-E111 PolarHBondContact O-N 2.89Å; H108-E111 IonicContact ND1-OE2 3.61Å; E111-L113 PolarHBondContact O-N 3.32Å; E111-L113 VanDerWaalsContact O-N 3.15Å; E111-S114 WeakPolarHBondContact O-CA 3.39Å; E111-S114 WeakPolarHBondContact O-CB 3.22Å; E111-S114 PolarHBondContact O-N 3.29Å; E111-S114 PolarHBondContact O-OG 3.4Å; E111-D115 PolarHBondContact O-N 3.2Å; E111-D115 VanDerWaalsContact O-OD2 3.09Å
112	L	44.8	Very low	54	Low	120 Å²	120	84.1 Å²	84.1	63%	0.628	44%	0.444	S	S	*	.	H	α-helix	trans	-61.5	-29.7	-176.9	-157	84.4	0	0	0	112.9	H108 T116	H108-L112 WeakPolarHBondContact O-CB 3.3Å; H108-L112 PolarHBondContact O-N 3.28Å; L112-T116 WeakPolarHBondContact O-CB 3.35Å; L112-T116 VanDerWaalsContact O-CG2 3.32Å; L112-T116 WeakPolarHBondContact O-CG2 3.36Å; L112-T116 PolarHBondContact O-N 3.09Å; L112-T116 PolarHBondContact O-OG1 3.37Å
113	L	44.1	Very low	55.8	Low	102 Å²	102	82 Å²	82	53%	0.534	43%	0.43	S	S	.	.	H	α-helix	trans	-72.3	-32	171.9	-75	169.5	0	0	0	112.1	R109 A110 E111 T116 Q117	R109-L113 HydrophobicContact CG-CD1 4.38Å; R109-L113 VanDerWaalsContact O-CD1 3.3Å; R109-L113 WeakPolarHBondContact O-CD1 3.49Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.48Å; A110-L113 PolarHBondContact O-N 2.81Å; E111-L113 PolarHBondContact O-N 3.32Å; E111-L113 VanDerWaalsContact O-N 3.15Å; L113-T116 PolarHBondContact O-OG1 2.87Å; L113-Q117 VanDerWaalsContact O-CB 3.23Å; L113-Q117 WeakPolarHBondContact O-CB 3.33Å; L113-Q117 PolarHBondContact O-N 3.38Å; L113-Q117 VanDerWaalsContact O-N 3.14Å
114	S	60.2	Low	57.7	Low	29 Å²	29	82.1 Å²	82.1	20%	0.203	43%	0.429	C	S	.	.	H	α-helix	trans	-71.5	-40.6	175.7	80.2	0	0	0	0	112.4	S18 A110 E111 Q117 L118	S18-S114 PolarHBondContact OG-OG 3.29Å; S18-S114 VanDerWaalsContact OG-OG 3.05Å; A110-S114 PolarHBondContact O-N 3.43Å; A110-S114 VanDerWaalsContact O-N 3.1Å; E111-S114 WeakPolarHBondContact O-CA 3.39Å; E111-S114 WeakPolarHBondContact O-CB 3.22Å; E111-S114 PolarHBondContact O-N 3.29Å; E111-S114 PolarHBondContact O-OG 3.4Å; S114-Q117 PolarHBondContact O-N 2.6Å; S114-L118 WeakPolarHBondContact O-CB 3.36Å; S114-L118 PolarHBondContact O-N 3.22Å
115	D	62.8	Low	59.5	Low	22 Å²	22	82 Å²	82	12%	0.118	42%	0.42	C	S	.	.	H	α-helix	trans	-72.8	-41.4	-179.5	-53.5	-50.4	0	0	0	112.2	L15 E111 Q117 K119	L15-D115 VanDerWaalsContact CD2-CG 3.4Å; L15-D115 WeakPolarHBondContact CD2-OD1 3.43Å; L15-D115 WeakPolarHBondContact CD2-OD2 3.46Å; L15-D115 WeakPolarHBondContact CG-OD1 3.25Å; E111-D115 PolarHBondContact O-N 3.2Å; E111-D115 VanDerWaalsContact O-OD2 3.09Å; D115-Q117 PolarHBondContact O-N 2.75Å; D115-K119 WeakPolarHBondContact O-CB 3.22Å; D115-K119 PolarHBondContact O-N 2.88Å
116	T	71.7	Confident	61.3	Low	70 Å²	70	80.4 Å²	80.4	43%	0.429	41%	0.406	S	S	.	.	H	α-helix	trans	-68.1	-20.7	173.8	55	0	0	0	0	112.2	L112 L113 R120	L112-T116 WeakPolarHBondContact O-CB 3.35Å; L112-T116 VanDerWaalsContact O-CG2 3.32Å; L112-T116 WeakPolarHBondContact O-CG2 3.36Å; L112-T116 PolarHBondContact O-N 3.09Å; L112-T116 PolarHBondContact O-OG1 3.37Å; L113-T116 PolarHBondContact O-OG1 2.87Å; T116-R120 WeakPolarHBondContact O-CG 3.46Å; T116-R120 PolarHBondContact O-NE 3.09Å
117	Q	64.4	Low	63.3	Low	96 Å²	96	81.9 Å²	81.9	45%	0.449	41%	0.413	S	S	.	.	H	α-helix	trans	-79.1	-57.4	169.6	-174.5	129.1	-40.7	0	0	111.7	L113 S114 D115 K119 R120 D121	L113-Q117 VanDerWaalsContact O-CB 3.23Å; L113-Q117 WeakPolarHBondContact O-CB 3.33Å; L113-Q117 PolarHBondContact O-N 3.38Å; L113-Q117 VanDerWaalsContact O-N 3.14Å; S114-Q117 PolarHBondContact O-N 2.6Å; D115-Q117 PolarHBondContact O-N 2.75Å; Q117-K119 PolarHBondContact O-N 2.84Å; Q117-R120 VanDerWaalsContact CA-NH2 3.27Å; Q117-R120 CarbonylContact O-C 3.08Å; Q117-R120 WeakPolarHBondContact O-CA 3.24Å; Q117-R120 VanDerWaalsContact O-CB 3.31Å; Q117-R120 WeakPolarHBondContact O-CB 3.4Å; Q117-R120 PolarHBondContact O-N 2.93Å; Q117-D121 VanDerWaalsContact CG-OD2 3.31Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.34Å; Q117-D121 PolarHBondContact O-N 3.19Å
118	L	68.4	Low	65.1	Low	66 Å²	66	75.8 Å²	75.8	35%	0.346	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-28.1	-175.5	-145.1	174.4	0	0	0	111.4	V14 S114 D121 K122	V14-L118 HydrophobicContact CB-CD1 4.22Å; V14-L118 HydrophobicContact CG1-CB 3.61Å; V14-L118 HydrophobicContact CG1-CD1 3.84Å; V14-L118 HydrophobicContact CG1-CD2 4.42Å; V14-L118 HydrophobicContact CG1-CG 4.12Å; V14-L118 HydrophobicContact CG2-CB 4.34Å; V14-L118 HydrophobicContact CG2-CD1 3.97Å; V14-L118 HydrophobicContact CG2-CD2 3.55Å; V14-L118 HydrophobicContact CG2-CG 4.13Å; S114-L118 WeakPolarHBondContact O-CB 3.36Å; S114-L118 PolarHBondContact O-N 3.22Å; L118-D121 PolarHBondContact O-N 3.37Å; L118-K122 WeakPolarHBondContact O-CB 3.29Å; L118-K122 PolarHBondContact O-N 3.02Å
119	K	67.3	Low	67.1	Low	75 Å²	75	69.8 Å²	69.8	33%	0.326	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-43	167.5	-178.3	161.7	175.8	160.3	0	112.7	D7 D115 Q117 E123	D7-K119 IonicContact OD1-NZ 2.75Å; D7-K119 PolarHBondContact OD1-NZ 3.32Å; D115-K119 WeakPolarHBondContact O-CB 3.22Å; D115-K119 PolarHBondContact O-N 2.88Å; Q117-K119 PolarHBondContact O-N 2.84Å; K119-E123 WeakPolarHBondContact CE-OE1 3.39Å; K119-E123 WeakPolarHBondContact CG-OE1 3.31Å; K119-E123 WeakPolarHBondContact O-CB 3.43Å; K119-E123 VanDerWaalsContact O-CG 3.27Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.37Å
120	R	74.7	Confident	69.5	Low	115 Å²	115	61.1 Å²	61.1	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-39.6	172.8	-76.2	178.7	-74.1	116.5	-12	112.1	T116 Q117 E123 S124	T116-R120 WeakPolarHBondContact O-CG 3.46Å; T116-R120 PolarHBondContact O-NE 3.09Å; Q117-R120 VanDerWaalsContact CA-NH2 3.27Å; Q117-R120 CarbonylContact O-C 3.08Å; Q117-R120 WeakPolarHBondContact O-CA 3.24Å; Q117-R120 VanDerWaalsContact O-CB 3.31Å; Q117-R120 WeakPolarHBondContact O-CB 3.4Å; Q117-R120 PolarHBondContact O-N 2.93Å; R120-E123 PolarHBondContact O-N 3.38Å; R120-S124 WeakPolarHBondContact O-CB 3.29Å; R120-S124 PolarHBondContact O-N 2.78Å; R120-S124 PolarHBondContact O-OG 3.39Å
121	D	72.3	Confident	71.6	Confident	67 Å²	67	60.5 Å²	60.5	36%	0.358	31%	0.313	S	S	.	.	H	α-helix	trans	-69.5	-42.6	-178.9	-55.8	-23.5	0	0	0	110	Q117 L118 S124 I125	Q117-D121 VanDerWaalsContact CG-OD2 3.31Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.34Å; Q117-D121 PolarHBondContact O-N 3.19Å; L118-D121 PolarHBondContact O-N 3.37Å; D121-S124 WeakPolarHBondContact O-CB 3.1Å; D121-S124 PolarHBondContact O-N 2.81Å; D121-I125 WeakPolarHBondContact O-CG1 3.23Å; D121-I125 PolarHBondContact O-N 3.23Å
122	K	77	Confident	73.7	Confident	33 Å²	33	60.7 Å²	60.7	14%	0.143	32%	0.32	C	S	.	.	H	α-helix	trans	-57.7	-48.7	169.4	177.6	-138.8	174.7	-179.8	0	111.7	V10 L118 S124 I125 M126	V10-K122 HydrophobicContact CB-CD 4.17Å; V10-K122 HydrophobicContact CG1-CD 3.57Å; V10-K122 HydrophobicContact CG1-CG 4.04Å; L118-K122 WeakPolarHBondContact O-CB 3.29Å; L118-K122 PolarHBondContact O-N 3.02Å; K122-S124 VanDerWaalsContact C-N 3.27Å; K122-S124 PolarHBondContact O-N 3.14Å; K122-I125 PolarHBondContact O-N 3.27Å; K122-M126 HydrophobicContact CD-SD 4.24Å; K122-M126 WeakPolarHBondContact CE-SD 3.31Å; K122-M126 HydrophobicContact CG-SD 4.08Å; K122-M126 WeakPolarHBondContact O-CB 3.49Å; K122-M126 WeakPolarHBondContact O-CG 3.2Å; K122-M126 PolarHBondContact O-N 2.87Å
123	E	76.9	Confident	75.8	Confident	95 Å²	95	55 Å²	55	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-36.7	176.9	-76.6	169	-165.9	0	0	111.7	K119 R120 S127	K119-E123 WeakPolarHBondContact CE-OE1 3.39Å; K119-E123 WeakPolarHBondContact CG-OE1 3.31Å; K119-E123 WeakPolarHBondContact O-CB 3.43Å; K119-E123 VanDerWaalsContact O-CG 3.27Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.37Å; R120-E123 PolarHBondContact O-N 3.38Å; E123-S127 VanDerWaalsContact O-CB 3.31Å; E123-S127 WeakPolarHBondContact O-CB 3.49Å; E123-S127 PolarHBondContact O-N 3.23Å; E123-S127 PolarHBondContact O-OG 3.18Å
124	S	81.9	Confident	77.9	Confident	48 Å²	48	51 Å²	51	34%	0.336	27%	0.269	S	S	.	.	H	α-helix	trans	-67.3	-44.4	175.6	-57.4	0	0	0	0	112	R120 D121 K122 S127 H128	R120-S124 WeakPolarHBondContact O-CB 3.29Å; R120-S124 PolarHBondContact O-N 2.78Å; R120-S124 PolarHBondContact O-OG 3.39Å; D121-S124 WeakPolarHBondContact O-CB 3.1Å; D121-S124 PolarHBondContact O-N 2.81Å; K122-S124 VanDerWaalsContact C-N 3.27Å; K122-S124 PolarHBondContact O-N 3.14Å; S124-S127 PolarHBondContact O-OG 3.02Å; S124-H128 WeakPolarHBondContact O-CB 3.31Å; S124-H128 PolarHBondContact O-N 2.98Å; S124-H128 VanDerWaalsContact O-N 3.11Å
125	I	80.2	Confident	79.2	Confident	53 Å²	53	52.6 Å²	52.6	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-45.7	174.6	-69	163.1	0	0	0	110.8	D121 K122 S127 H128 F131 L188 M192	D121-I125 WeakPolarHBondContact O-CG1 3.23Å; D121-I125 PolarHBondContact O-N 3.23Å; K122-I125 PolarHBondContact O-N 3.27Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 3.17Å; I125-H128 WeakPolarHBondContact O-CB 3.48Å; I125-H128 PolarHBondContact O-N 2.59Å; I125-F131 HydrophobicContact CG2-CD2 4.02Å; I125-F131 HydrophobicContact CG2-CE2 4.29Å; I125-F131 WeakPolarHBondContact O-CB 3.39Å; I125-F131 WeakPolarHBondContact O-CD2 3.3Å; I125-L188 HydrophobicContact CG1-CD1 3.88Å; I125-M192 HydrophobicContact CG2-SD 4.02Å
126	M	82.4	Confident	80.4	Confident	58 Å²	58	53.8 Å²	53.8	29%	0.286	28%	0.284	S	S	.	.	H	α-helix	trans	-70.1	-27	-178.6	-72.6	-175.1	71.2	0	0	114.1	F5 K122 F131	F5-M126 HydrophobicContact CB-CE 4.27Å; F5-M126 HydrophobicContact CD1-CE 3.77Å; F5-M126 HydrophobicContact CD1-SD 4.41Å; F5-M126 HydrophobicContact CD2-CE 3.45Å; F5-M126 VanDerWaalsContact CD2-CE 3.45Å; F5-M126 HydrophobicContact CE1-CE 3.87Å; F5-M126 HydrophobicContact CE2-CE 3.57Å; F5-M126 HydrophobicContact CG-CE 3.55Å; F5-M126 HydrophobicContact CZ-CE 3.77Å; K122-M126 HydrophobicContact CD-SD 4.24Å; K122-M126 WeakPolarHBondContact CE-SD 3.31Å; K122-M126 HydrophobicContact CG-SD 4.08Å; K122-M126 WeakPolarHBondContact O-CB 3.49Å; K122-M126 WeakPolarHBondContact O-CG 3.2Å; K122-M126 PolarHBondContact O-N 2.87Å; M126-F131 HydrophobicContact CG-CE1 4.48Å; M126-F131 HydrophobicContact CG-CE2 3.98Å; M126-F131 HydrophobicContact CG-CZ 3.93Å
127	S	83.9	Confident	81.2	Confident	90 Å²	90	50.5 Å²	50.5	63%	0.629	26%	0.263	S	S	*	.	H	α-helix	trans	-89.7	-4	174.3	58.5	0	0	0	0	113.4	E123 S124 I125	E123-S127 VanDerWaalsContact O-CB 3.31Å; E123-S127 WeakPolarHBondContact O-CB 3.49Å; E123-S127 PolarHBondContact O-N 3.23Å; E123-S127 PolarHBondContact O-OG 3.18Å; S124-S127 PolarHBondContact O-OG 3.02Å; I125-S127 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 3.17Å
128	H	84.9	Confident	82.2	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.019	26%	0.257	C	S	.	.	S	Bend	trans	-68.6	137.7	-179.7	-168.2	-99.5	0	0	0	111.5	S124 I125 L130 F131 Y182 L188 D189 M192	S124-H128 WeakPolarHBondContact O-CB 3.31Å; S124-H128 PolarHBondContact O-N 2.98Å; S124-H128 VanDerWaalsContact O-N 3.11Å; I125-H128 WeakPolarHBondContact O-CB 3.48Å; I125-H128 PolarHBondContact O-N 2.59Å; H128-L130 WeakPolarHBondContact ND1-CB 3.32Å; H128-L130 PolarHBondContact ND1-N 3.15Å; H128-L130 VanDerWaalsContact ND1-N 3.11Å; H128-L130 PolarHBondContact O-N 3.09Å; H128-L130 VanDerWaalsContact O-N 3.15Å; H128-F131 WeakPolarHBondContact O-CB 3.47Å; H128-F131 PolarHBondContact O-N 3.07Å; H128-Y182 AromaticContact CD2-CE2 3.76Å; H128-Y182 AromaticContact CD2-CZ 3.59Å; H128-Y182 PolarHBondContact CD2-OH 3.14Å; H128-Y182 AromaticContact NE2-CZ 3.73Å; H128-Y182 PolarHBondContact NE2-OH 3.31Å; H128-L188 HydrophobicContact CB-CD2 4.45Å; H128-D189 IonicContact NE2-OD1 2.62Å; H128-D189 PolarHBondContact NE2-OD1 3.12Å; H128-M192 HydrophobicContact CB-CE 4.19Å
129	P	86.8	Confident	83	Confident	16 Å²	16	51.8 Å²	51.8	10%	0.104	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.7	179.5	18.2	-31.3	0	0	0	113.8	F131 P132 F171 M175 Y182 L437	P129-F131 VanDerWaalsContact C-N 3.3Å; P129-F131 PolarHBondContact O-N 3.44Å; P129-P132 VanDerWaalsContact O-CD 3.28Å; P129-P132 WeakPolarHBondContact O-CD 3.46Å; P129-F171 WeakPolarHBondContact O-CZ 3.27Å; P129-M175 HydrophobicContact CB-CE 3.57Å; P129-M175 HydrophobicContact CB-SD 4.07Å; P129-M175 HydrophobicContact CG-CE 4.49Å; P129-Y182 HydrophobicContact CG-CD1 3.96Å; P129-Y182 HydrophobicContact CG-CD2 4.04Å; P129-Y182 HydrophobicContact CG-CE1 4.18Å; P129-Y182 HydrophobicContact CG-CE2 4.31Å; P129-Y182 HydrophobicContact CG-CG 3.86Å; P129-L437 HydrophobicContact CG-CD1 3.87Å; P129-L437 HydrophobicContact CG-CD2 4.19Å
130	L	87.5	Confident	83.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.4	177.5	-54.3	-178.1	0	0	0	114.6	H128 P132 L133 L134 F171 M192 V193 I196 M441 L444	H128-L130 WeakPolarHBondContact ND1-CB 3.32Å; H128-L130 PolarHBondContact ND1-N 3.15Å; H128-L130 VanDerWaalsContact ND1-N 3.11Å; H128-L130 PolarHBondContact O-N 3.09Å; H128-L130 VanDerWaalsContact O-N 3.15Å; L130-P132 VanDerWaalsContact C-CD 3.46Å; L130-L133 PolarHBondContact O-N 2.74Å; L130-L133 VanDerWaalsContact O-N 3.13Å; L130-L134 PolarHBondContact O-N 3Å; L130-F171 HydrophobicContact CD2-CE1 4.08Å; L130-M192 HydrophobicContact CB-CB 4.43Å; L130-M192 HydrophobicContact CB-CE 4.12Å; L130-M192 HydrophobicContact CD1-CB 4.15Å; L130-V193 HydrophobicContact CD1-CG2 3.96Å; L130-I196 HydrophobicContact CB-CD1 4.13Å; L130-I196 HydrophobicContact CD1-CD1 4.4Å; L130-M441 HydrophobicContact CD2-CG 4.4Å; L130-M441 HydrophobicContact CD2-SD 3.42Å; L130-M441 WeakPolarHBondContact CD2-SD 3.32Å; L130-L444 HydrophobicContact CD1-CD1 4.22Å
131	F	87.4	Confident	84.4	Confident	45 Å²	45	44.2 Å²	44.2	20%	0.197	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-39.4	-177.9	-176.1	-105.2	0	0	0	114.9	F5 I125 M126 H128 P129 L133 L134 T135 M192	F5-F131 HydrophobicContact CZ-CZ 4.39Å; I125-F131 HydrophobicContact CG2-CD2 4.02Å; I125-F131 HydrophobicContact CG2-CE2 4.29Å; I125-F131 WeakPolarHBondContact O-CB 3.39Å; I125-F131 WeakPolarHBondContact O-CD2 3.3Å; M126-F131 HydrophobicContact CG-CE1 4.48Å; M126-F131 HydrophobicContact CG-CE2 3.98Å; M126-F131 HydrophobicContact CG-CZ 3.93Å; H128-F131 WeakPolarHBondContact O-CB 3.47Å; H128-F131 PolarHBondContact O-N 3.07Å; P129-F131 VanDerWaalsContact C-N 3.3Å; P129-F131 PolarHBondContact O-N 3.44Å; F131-L133 VanDerWaalsContact C-N 3.32Å; F131-L133 PolarHBondContact O-N 3.49Å; F131-L134 PolarHBondContact O-N 3.36Å; F131-T135 PolarHBondContact O-N 3.41Å; F131-T135 PolarHBondContact O-OG1 3.5Å; F131-M192 HydrophobicContact CB-CE 4.41Å
132	P	88.2	Confident	84.7	Confident	71 Å²	71	44.8 Å²	44.8	46%	0.461	24%	0.239	S	C	.	.	H	α-helix	trans	-63.4	-38.8	175.2	-20.9	33.7	0	0	0	112.4	P129 L130 T135 L136 F171	P129-P132 VanDerWaalsContact O-CD 3.28Å; P129-P132 WeakPolarHBondContact O-CD 3.46Å; L130-P132 VanDerWaalsContact C-CD 3.46Å; P132-T135 WeakPolarHBondContact O-CB 3.46Å; P132-T135 PolarHBondContact O-N 3.03Å; P132-L136 WeakPolarHBondContact O-CB 3.41Å; P132-L136 PolarHBondContact O-N 3.5Å; P132-F171 HydrophobicContact CB-CE2 3.89Å; P132-F171 HydrophobicContact CB-CZ 4.41Å; P132-F171 HydrophobicContact CG-CE2 4.12Å; P132-F171 HydrophobicContact CG-CZ 4.29Å
133	L	89.7	Confident	84.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-70.1	-38.3	178.8	-173.6	63.5	0	0	0	111.9	L130 F131 T135 L136 I137 F164 V168 F171 I196 M441 L444	L130-L133 PolarHBondContact O-N 2.74Å; L130-L133 VanDerWaalsContact O-N 3.13Å; F131-L133 VanDerWaalsContact C-N 3.32Å; F131-L133 PolarHBondContact O-N 3.49Å; L133-T135 VanDerWaalsContact C-N 3.32Å; L133-L136 PolarHBondContact O-N 2.95Å; L133-I137 PolarHBondContact O-N 2.89Å; L133-I137 VanDerWaalsContact O-N 3.1Å; L133-F164 HydrophobicContact CD1-CE2 3.63Å; L133-F164 HydrophobicContact CD1-CZ 3.74Å; L133-F164 HydrophobicContact CG-CE2 4.3Å; L133-F164 HydrophobicContact CG-CZ 4.04Å; L133-V168 HydrophobicContact CD1-CG2 3.97Å; L133-V168 HydrophobicContact CD2-CG2 4.2Å; L133-F171 HydrophobicContact CB-CD1 4.08Å; L133-F171 HydrophobicContact CB-CE1 4.24Å; L133-F171 HydrophobicContact CB-CG 4.24Å; L133-F171 HydrophobicContact CD1-CB 4.27Å; L133-F171 HydrophobicContact CD1-CG 4.41Å; L133-F171 HydrophobicContact CD2-CD1 3.99Å; L133-F171 HydrophobicContact CD2-CG 4.46Å; L133-I196 HydrophobicContact CB-CD1 4.35Å; L133-I196 HydrophobicContact CD2-CD1 4.1Å; L133-I196 HydrophobicContact CG-CD1 4.16Å; L133-M441 HydrophobicContact CD2-CE 4.26Å; L133-M441 HydrophobicContact CD2-SD 4.43Å; L133-L444 HydrophobicContact CD2-CD1 4.34Å
134	L	87.5	Confident	84.9	Confident	17 Å²	17	41.8 Å²	41.8	9%	0.089	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-40.4	171	-179.4	64.1	0	0	0	111.6	L130 F131 I137 F138 M192 A195 I196 L199	L130-L134 PolarHBondContact O-N 3Å; F131-L134 PolarHBondContact O-N 3.36Å; L134-I137 HydrophobicContact CD1-CG2 4.35Å; L134-I137 WeakPolarHBondContact O-CG2 3.24Å; L134-F138 HydrophobicContact CD1-CD2 4.24Å; L134-F138 HydrophobicContact CD1-CE2 3.74Å; L134-F138 HydrophobicContact CD1-CZ 4.48Å; L134-F138 HydrophobicContact CD2-CE2 4.35Å; L134-F138 HydrophobicContact CG-CD2 4.13Å; L134-F138 HydrophobicContact CG-CE2 3.81Å; L134-F138 WeakPolarHBondContact O-CD2 3.45Å; L134-F138 PolarHBondContact O-N 2.92Å; L134-M192 HydrophobicContact CB-CE 4Å; L134-M192 HydrophobicContact CD2-CE 3.67Å; L134-M192 HydrophobicContact CD2-SD 3.88Å; L134-M192 HydrophobicContact CG-CE 4.47Å; L134-A195 HydrophobicContact CD1-CB 4.07Å; L134-I196 HydrophobicContact CB-CD1 4.39Å; L134-I196 HydrophobicContact CB-CG1 4.22Å; L134-I196 HydrophobicContact CD1-CG1 4Å; L134-L199 HydrophobicContact CD1-CD1 3.74Å
135	T	87.3	Confident	84.7	Confident	63 Å²	63	43.2 Å²	43.2	39%	0.387	23%	0.234	S	C	.	.	H	α-helix	trans	-65.7	-41.8	177.6	-54.2	0	0	0	0	111.1	F131 P132 L133 F138 E139	F131-T135 PolarHBondContact O-N 3.41Å; F131-T135 PolarHBondContact O-OG1 3.5Å; P132-T135 WeakPolarHBondContact O-CB 3.46Å; P132-T135 PolarHBondContact O-N 3.03Å; L133-T135 VanDerWaalsContact C-N 3.32Å; T135-F138 WeakPolarHBondContact O-CB 3.44Å; T135-F138 PolarHBondContact O-N 3.21Å; T135-E139 PolarHBondContact O-N 2.93Å
136	L	88.4	Confident	84	Confident	47 Å²	47	44.1 Å²	44.1	25%	0.246	24%	0.244	C	C	.	.	H	α-helix	trans	-66.7	-37.8	-179.2	-172.1	155.1	0	0	0	112.6	P132 L133 E139 K140 F164 D167	P132-L136 WeakPolarHBondContact O-CB 3.41Å; P132-L136 PolarHBondContact O-N 3.5Å; L133-L136 PolarHBondContact O-N 2.95Å; L136-E139 PolarHBondContact O-N 3.34Å; L136-K140 HydrophobicContact CD2-CD 4.15Å; L136-K140 VanDerWaalsContact CD2-CE 3.43Å; L136-K140 PolarHBondContact O-N 2.89Å; L136-F164 HydrophobicContact CD2-CD2 3.54Å; L136-F164 HydrophobicContact CD2-CE2 3.73Å; L136-D167 HydrophobicContact CD1-CB 4.15Å; L136-D167 HydrophobicContact CD2-CB 3.74Å
137	I	87.9	Confident	82.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.2	-34.6	173.6	-171.3	63.6	0	0	0	112.2	L133 L134 K140 C141 F164 L199 L203	L133-I137 PolarHBondContact O-N 2.89Å; L133-I137 VanDerWaalsContact O-N 3.1Å; L134-I137 HydrophobicContact CD1-CG2 4.35Å; L134-I137 WeakPolarHBondContact O-CG2 3.24Å; I137-K140 PolarHBondContact O-N 3.38Å; I137-C141 PolarHBondContact O-N 2.82Å; I137-C141 PolarHBondContact O-SG 2.94Å; I137-F164 HydrophobicContact CB-CD2 4.13Å; I137-F164 HydrophobicContact CB-CE1 4.46Å; I137-F164 HydrophobicContact CB-CE2 3.57Å; I137-F164 HydrophobicContact CB-CZ 3.76Å; I137-F164 HydrophobicContact CD1-CB 4.38Å; I137-F164 HydrophobicContact CD1-CD1 3.88Å; I137-F164 HydrophobicContact CD1-CD2 3.8Å; I137-F164 HydrophobicContact CD1-CE1 4.08Å; I137-F164 HydrophobicContact CD1-CE2 4.03Å; I137-F164 HydrophobicContact CD1-CG 3.72Å; I137-F164 HydrophobicContact CD1-CZ 4.17Å; I137-F164 HydrophobicContact CG1-CE1 4.45Å; I137-F164 HydrophobicContact CG1-CE2 4.26Å; I137-F164 HydrophobicContact CG1-CZ 4.23Å; I137-F164 HydrophobicContact CG2-CZ 4.47Å; I137-L199 HydrophobicContact CB-CB 4.44Å; I137-L199 HydrophobicContact CG1-CB 3.55Å; I137-L199 HydrophobicContact CG2-CB 3.99Å; I137-L199 HydrophobicContact CG2-CD1 3.79Å; I137-L203 HydrophobicContact CD1-CB 4.39Å; I137-L203 HydrophobicContact CD1-CD2 3.8Å
138	F	86.5	Confident	81.2	Confident	73 Å²	73	45.1 Å²	45.1	32%	0.32	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-45.3	172	-82	-59.9	0	0	0	111.8	L134 T135 K140 C141 E142 L199 L499	L134-F138 HydrophobicContact CD1-CD2 4.24Å; L134-F138 HydrophobicContact CD1-CE2 3.74Å; L134-F138 HydrophobicContact CD1-CZ 4.48Å; L134-F138 HydrophobicContact CD2-CE2 4.35Å; L134-F138 HydrophobicContact CG-CD2 4.13Å; L134-F138 HydrophobicContact CG-CE2 3.81Å; L134-F138 WeakPolarHBondContact O-CD2 3.45Å; L134-F138 PolarHBondContact O-N 2.92Å; T135-F138 WeakPolarHBondContact O-CB 3.44Å; T135-F138 PolarHBondContact O-N 3.21Å; F138-K140 PolarHBondContact O-N 3.48Å; F138-C141 PolarHBondContact O-N 3.17Å; F138-E142 WeakPolarHBondContact O-CB 3.45Å; F138-E142 PolarHBondContact O-N 3.11Å; F138-L199 HydrophobicContact CD1-CD1 4.06Å; F138-L199 HydrophobicContact CD1-CD2 4.14Å; F138-L199 HydrophobicContact CD2-CD1 4.28Å; F138-L199 HydrophobicContact CE1-CD1 3.65Å; F138-L199 HydrophobicContact CE1-CD2 3.72Å; F138-L199 HydrophobicContact CE1-CG 4.36Å; F138-L199 HydrophobicContact CE2-CD1 3.89Å; F138-L199 HydrophobicContact CG-CD1 4.35Å; F138-L199 HydrophobicContact CZ-CD1 3.55Å; F138-L199 HydrophobicContact CZ-CD2 4.37Å; F138-L499 HydrophobicContact CE1-CD1 3.85Å; F138-L499 HydrophobicContact CE1-CD2 3.77Å; F138-L499 HydrophobicContact CE1-CG 4.38Å; F138-L499 HydrophobicContact CZ-CD1 3.64Å; F138-L499 HydrophobicContact CZ-CD2 3.89Å; F138-L499 HydrophobicContact CZ-CG 4.42Å
139	E	85.5	Confident	79.6	Confident	116 Å²	116	48.4 Å²	48.4	54%	0.542	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-43.8	176.2	-176.7	172.3	-164	0	0	111.6	T135 L136 E142 L143	T135-E139 PolarHBondContact O-N 2.93Å; L136-E139 PolarHBondContact O-N 3.34Å; E139-E142 PolarHBondContact O-N 3.36Å; E139-L143 HydrophobicContact CG-CD1 4.08Å; E139-L143 WeakPolarHBondContact O-CB 3.48Å; E139-L143 VanDerWaalsContact O-CG 3.24Å; E139-L143 WeakPolarHBondContact O-CG 3.33Å; E139-L143 PolarHBondContact O-N 2.91Å
140	K	84.9	Confident	77.4	Confident	21 Å²	21	55.8 Å²	55.8	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-40.6	175.1	-72.7	-176.4	-168.4	-84.5	0	113.4	L136 I137 F138 L143 A144 V158 S163 F164 D167 L203	L136-K140 HydrophobicContact CD2-CD 4.15Å; L136-K140 VanDerWaalsContact CD2-CE 3.43Å; L136-K140 PolarHBondContact O-N 2.89Å; I137-K140 PolarHBondContact O-N 3.38Å; F138-K140 PolarHBondContact O-N 3.48Å; K140-L143 PolarHBondContact O-N 2.99Å; K140-A144 WeakPolarHBondContact O-CB 3.41Å; K140-A144 PolarHBondContact O-N 3.16Å; K140-V158 PolarHBondContact NZ-O 3.11Å; K140-S163 PolarHBondContact NZ-OG 2.89Å; K140-F164 HydrophobicContact CD-CB 3.82Å; K140-F164 HydrophobicContact CD-CD2 4.08Å; K140-F164 HydrophobicContact CD-CG 4.4Å; K140-D167 WeakPolarHBondContact CE-OD2 3.09Å; K140-D167 IonicContact NZ-OD2 3.78Å; K140-D167 PolarHBondContact NZ-OD2 2.69Å; K140-L203 HydrophobicContact CB-CD1 4.28Å; K140-L203 HydrophobicContact CB-CD2 3.98Å; K140-L203 HydrophobicContact CD-CD2 4.27Å
141	C	85.7	Confident	75.3	Confident	11 Å²	11	62.3 Å²	62.3	7%	0.074	33%	0.329	C	S	.	.	H	α-helix	trans	-64.1	-42.9	175.7	-66.8	0	0	0	0	111.3	I137 F138 A144 T145	I137-C141 PolarHBondContact O-N 2.82Å; I137-C141 PolarHBondContact O-SG 2.94Å; F138-C141 PolarHBondContact O-N 3.17Å; C141-A144 PolarHBondContact O-N 3.36Å; C141-T145 WeakPolarHBondContact O-CG2 3.37Å; C141-T145 PolarHBondContact O-N 3.42Å; C141-T145 PolarHBondContact O-OG1 3.49Å
142	E	79.2	Confident	72.9	Confident	78 Å²	78	62 Å²	62	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-52.8	173.7	178.7	177.1	175.2	0	0	110.7	F138 E139 A144 T145 C146 L508	F138-E142 WeakPolarHBondContact O-CB 3.45Å; F138-E142 PolarHBondContact O-N 3.11Å; E139-E142 PolarHBondContact O-N 3.36Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 3.47Å; E142-T145 CarbonylContact O-C 3.55Å; E142-T145 PolarHBondContact O-N 3.34Å; E142-T145 VanDerWaalsContact O-N 3.07Å; E142-T145 PolarHBondContact O-OG1 3.39Å; E142-C146 VanDerWaalsContact O-CB 3.28Å; E142-C146 WeakPolarHBondContact O-CB 3.27Å; E142-C146 PolarHBondContact O-N 3.14Å; E142-C146 PolarHBondContact O-SG 3.34Å; E142-L508 HydrophobicContact CG-CD1 3.73Å; E142-L508 WeakPolarHBondContact OE1-CD1 3.48Å; E142-L508 WeakPolarHBondContact OE2-CD2 3.49Å
143	L	80	Confident	70.6	Confident	63 Å²	63	65.9 Å²	65.9	33%	0.33	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-40.6	179.7	-69.8	171.2	0	0	0	112.4	E139 K140 T145 C146 T147 C159	E139-L143 HydrophobicContact CG-CD1 4.08Å; E139-L143 WeakPolarHBondContact O-CB 3.48Å; E139-L143 VanDerWaalsContact O-CG 3.24Å; E139-L143 WeakPolarHBondContact O-CG 3.33Å; E139-L143 PolarHBondContact O-N 2.91Å; K140-L143 PolarHBondContact O-N 2.99Å; L143-T145 PolarHBondContact O-N 2.86Å; L143-C146 PolarHBondContact O-N 3.14Å; L143-T147 VanDerWaalsContact O-CG2 3.31Å; L143-T147 WeakPolarHBondContact O-CG2 3.38Å; L143-T147 PolarHBondContact O-N 3.07Å; L143-T147 PolarHBondContact O-OG1 3.1Å; L143-T147 VanDerWaalsContact O-OG1 3.07Å; L143-C159 WeakPolarHBondContact CB-SG 3.49Å
144	A	78.3	Confident	68.4	Low	2 Å²	2	71.4 Å²	71.4	2%	0.017	40%	0.395	C	S	.	.	H	α-helix	trans	-56.7	-50.5	171.9	0	0	0	0	0	110.8	K140 C141 E142 C146 T147 C159 L203 L206 H210	K140-A144 WeakPolarHBondContact O-CB 3.41Å; K140-A144 PolarHBondContact O-N 3.16Å; C141-A144 PolarHBondContact O-N 3.36Å; E142-A144 VanDerWaalsContact C-N 3.33Å; E142-A144 PolarHBondContact O-N 3.47Å; A144-C146 VanDerWaalsContact C-N 3.28Å; A144-C146 PolarHBondContact O-N 2.94Å; A144-T147 PolarHBondContact O-OG1 3.16Å; A144-C159 HydrophobicContact CB-CB 4.28Å; A144-L203 HydrophobicContact CB-CD1 3.76Å; A144-L206 HydrophobicContact CB-CB 4.38Å; A144-L206 HydrophobicContact CB-CD1 4.02Å; A144-H210 PolarHBondContact O-CE1 3.41Å
145	T	77.5	Confident	66.5	Low	78 Å²	78	75 Å²	75	48%	0.479	44%	0.437	S	S	.	.	H	α-helix	trans	-67.1	-25.7	177.2	61.3	0	0	0	0	114.4	C141 E142 L143 L206	C141-T145 WeakPolarHBondContact O-CG2 3.37Å; C141-T145 PolarHBondContact O-N 3.42Å; C141-T145 PolarHBondContact O-OG1 3.49Å; E142-T145 CarbonylContact O-C 3.55Å; E142-T145 PolarHBondContact O-N 3.34Å; E142-T145 VanDerWaalsContact O-N 3.07Å; E142-T145 PolarHBondContact O-OG1 3.39Å; L143-T145 PolarHBondContact O-N 2.86Å; T145-L206 HydrophobicContact CG2-CD1 3.82Å; T145-L206 HydrophobicContact CG2-CD2 4.02Å
146	C	65.6	Low	64.9	Low	73 Å²	73	77.4 Å²	77.4	49%	0.493	45%	0.451	S	S	.	.	H	α-helix	trans	-87.7	-33.5	-174.7	-77.7	0	0	0	0	113.9	E142 L143 A144 P148	E142-C146 VanDerWaalsContact O-CB 3.28Å; E142-C146 WeakPolarHBondContact O-CB 3.27Å; E142-C146 PolarHBondContact O-N 3.14Å; E142-C146 PolarHBondContact O-SG 3.34Å; L143-C146 PolarHBondContact O-N 3.14Å; A144-C146 VanDerWaalsContact C-N 3.28Å; A144-C146 PolarHBondContact O-N 2.94Å; C146-P148 WeakPolarHBondContact O-CD 3.36Å; C146-P148 VanDerWaalsContact O-N 3.1Å
147	T	55.8	Low	63.6	Low	68 Å²	68	79.6 Å²	79.6	42%	0.417	46%	0.463	S	S	.	.			trans	-61.7	109.2	-168.9	38.8	0	0	0	0	112.6	L143 A144	L143-T147 VanDerWaalsContact O-CG2 3.31Å; L143-T147 WeakPolarHBondContact O-CG2 3.38Å; L143-T147 PolarHBondContact O-N 3.07Å; L143-T147 PolarHBondContact O-OG1 3.1Å; L143-T147 VanDerWaalsContact O-OG1 3.07Å; A144-T147 PolarHBondContact O-OG1 3.16Å
148	P	51.3	Low	62.2	Low	100 Å²	100	83.8 Å²	83.8	65%	0.649	49%	0.488	S	S	*	.			trans	-65.4	138.1	156.6	-4.8	24.8	0	0	0	105.8	C146 E150	C146-P148 WeakPolarHBondContact O-CD 3.36Å; C146-P148 VanDerWaalsContact O-N 3.1Å; P148-E150 PolarHBondContact O-N 3.32Å
149	R	50.7	Low	61.3	Low	73 Å²	73	81 Å²	81	28%	0.275	48%	0.477	S	S	.	.			trans	-73.2	77.5	-179.4	-70.5	178.5	-160.3	149	13	111.5	M151 H210 D214	R149-M151 HydrophobicContact CB-CG 4.27Å; R149-M151 PolarHBondContact O-N 2.96Å; R149-H210 PolarHBondContact NH1-O 3.45Å; R149-H210 VanDerWaalsContact NH1-O 3.11Å; R149-H210 PolarHBondContact NH2-CD2 3.16Å; R149-H210 VanDerWaalsContact NH2-CG 3.3Å; R149-H210 PolarHBondContact NH2-O 3.32Å; R149-H210 VanDerWaalsContact NH2-O 3.16Å; R149-D214 VanDerWaalsContact CD-OD1 3.31Å; R149-D214 WeakPolarHBondContact CD-OD1 3.36Å; R149-D214 IonicContact CZ-OD1 3.78Å; R149-D214 IonicContact CZ-OD2 3.47Å; R149-D214 IonicContact NE-OD1 3.07Å; R149-D214 IonicContact NE-OD2 3.12Å; R149-D214 PolarHBondContact NE-OD2 2.87Å; R149-D214 VanDerWaalsContact NH1-N 3.15Å; R149-D214 IonicContact NH1-OD1 3.39Å; R149-D214 PolarHBondContact NH1-OD1 3.42Å; R149-D214 IonicContact NH1-OD2 2.73Å; R149-D214 PolarHBondContact NH1-OD2 2.88Å
150	E	40.2	Very low	60.8	Low	171 Å²	171	76 Å²	76	80%	0.799	46%	0.455	S	S	*	.			trans	-61.2	75.1	151.5	-82.7	-74.5	153.7	0	0	108.1	P148 G152	P148-E150 PolarHBondContact O-N 3.32Å; E150-G152 PolarHBondContact O-N 3.02Å
151	M	44.5	Very low	60.4	Low	138 Å²	138	75 Å²	75	68%	0.68	45%	0.451	S	S	*	.			trans	-72.9	67.7	166.5	-80.1	174.8	169.1	0	0	108.6	R149 D214	R149-M151 HydrophobicContact CB-CG 4.27Å; R149-M151 PolarHBondContact O-N 2.96Å; M151-D214 WeakPolarHBondContact CE-OD1 3.19Å; M151-D214 WeakPolarHBondContact CE-OD2 3.3Å
152	G	35.9	Very low	60.1	Low	38 Å²	38	80.6 Å²	80.6	39%	0.392	48%	0.481	S	S	.	.			trans	-145.6	114.4	-169.6	0	0	0	0	0	111.9	E150 T154	E150-G152 PolarHBondContact O-N 3.02Å; G152-T154 PolarHBondContact O-N 3.12Å
153	T	41.1	Very low	60.2	Low	153 Å²	153	78 Å²	78	94%	0.939	47%	0.471	S	S	*	.	S	Bend	trans	85.6	-42.4	156.1	-30.3	0	0	0	0	119.1
154	T	43.4	Very low	60.6	Low	116 Å²	116	75 Å²	75	71%	0.712	46%	0.455	S	S	*	.			trans	-141.3	100.7	177.5	53.6	0	0	0	0	113.1	G152 V156	G152-T154 PolarHBondContact O-N 3.12Å; T154-V156 PolarHBondContact O-N 2.82Å
155	G	47.2	Very low	60.9	Low	94 Å²	94	76.6 Å²	76.6	97%	0.969	47%	0.466	S	S	*	.			trans	-75.6	54.1	179.4	0	0	0	0	0	114.5
156	V	54.4	Low	61.4	Low	112 Å²	112	79.1 Å²	79.1	68%	0.679	47%	0.472	S	S	*	.			trans	-94.3	113.3	162.8	-176.2	0	0	0	0	106	T154 V158	T154-V156 PolarHBondContact O-N 2.82Å; V156-V158 PolarHBondContact O-N 3.25Å
157	D	59.6	Low	62.5	Low	93 Å²	93	77.7 Å²	77.7	50%	0.497	46%	0.46	S	S	.	.			trans	-75.5	95.5	176.7	-173.8	-0.8	0	0	0	109.7	C159 S160	D157-C159 PolarHBondContact O-N 2.87Å; D157-C159 PolarHBondContact OD1-N 2.74Å; D157-S160 PolarHBondContact OD1-N 2.72Å; D157-S160 WeakPolarHBondContact OD2-CB 3.33Å; D157-S160 PolarHBondContact OD2-OG 3.3Å
158	V	59.6	Low	64	Low	88 Å²	88	74.6 Å²	74.6	53%	0.533	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.5	-179.1	-179.4	0	0	0	0	111.6	K140 V156 S163	K140-V158 PolarHBondContact NZ-O 3.11Å; V156-V158 PolarHBondContact O-N 3.25Å; V158-S163 PolarHBondContact O-OG 3.4Å
159	C	66.8	Low	65.6	Low	14 Å²	14	72.4 Å²	72.4	10%	0.095	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	13.9	-161.9	-55	0	0	0	0	114.8	L143 A144 D157 L203	L143-C159 WeakPolarHBondContact CB-SG 3.49Å; A144-C159 HydrophobicContact CB-CB 4.28Å; D157-C159 PolarHBondContact O-N 2.87Å; D157-C159 PolarHBondContact OD1-N 2.74Å; C159-L203 WeakPolarHBondContact O-CD1 3.28Å
160	S	74.9	Confident	67.3	Low	11 Å²	11	73.4 Å²	73.4	8%	0.077	44%	0.442	C	S	.	.	S	Bend	trans	-93.7	158.2	172.4	40.3	0	0	0	0	114.5	D157 D162 S163 F164 E207	D157-S160 PolarHBondContact OD1-N 2.72Å; D157-S160 WeakPolarHBondContact OD2-CB 3.33Å; D157-S160 PolarHBondContact OD2-OG 3.3Å; S160-D162 PolarHBondContact O-N 3.22Å; S160-S163 WeakPolarHBondContact O-CB 3.26Å; S160-S163 PolarHBondContact O-N 2.88Å; S160-S163 PolarHBondContact O-OG 3.49Å; S160-F164 PolarHBondContact O-N 3.02Å; S160-E207 WeakPolarHBondContact CA-OE1 3.46Å; S160-E207 VanDerWaalsContact CB-CD 3.49Å; S160-E207 VanDerWaalsContact CB-OE2 3.27Å; S160-E207 WeakPolarHBondContact CB-OE2 3.37Å
161	S	76.9	Confident	69.5	Low	1 Å²	1	67 Å²	67	1%	0.007	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-23.8	178.9	-163.8	0	0	0	0	113.5	F164 S165 R200 L204 E207	S161-F164 PolarHBondContact O-N 3.3Å; S161-S165 WeakPolarHBondContact O-CB 3.34Å; S161-S165 PolarHBondContact O-N 3.47Å; S161-S165 PolarHBondContact O-OG 3.34Å; S161-R200 VanDerWaalsContact OG-CG 3.3Å; S161-R200 WeakPolarHBondContact OG-CG 3.48Å; S161-L204 WeakPolarHBondContact OG-CG 3.36Å; S161-E207 VanDerWaalsContact CB-OE1 3.27Å; S161-E207 WeakPolarHBondContact CB-OE1 3.41Å; S161-E207 PolarHBondContact N-OE1 3.49Å
162	D	79.4	Confident	71.3	Confident	129 Å²	129	60.6 Å²	60.6	69%	0.69	38%	0.38	S	S	*	.	H	α-helix	trans	-65.9	-44.6	169.8	-75.3	-37.6	0	0	0	111.2	S160 F164 S165 E166	S160-D162 PolarHBondContact O-N 3.22Å; D162-F164 VanDerWaalsContact C-N 3.28Å; D162-F164 PolarHBondContact O-N 3.16Å; D162-S165 WeakPolarHBondContact O-CA 3.43Å; D162-S165 WeakPolarHBondContact O-CB 3.46Å; D162-S165 PolarHBondContact O-N 2.77Å; D162-E166 PolarHBondContact O-N 2.94Å
163	S	82.3	Confident	73.5	Confident	23 Å²	23	65.9 Å²	65.9	16%	0.161	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-38.8	173.3	80	0	0	0	0	111.4	K140 V158 S160 S165 E166 D167	K140-S163 PolarHBondContact NZ-OG 2.89Å; V158-S163 PolarHBondContact O-OG 3.4Å; S160-S163 WeakPolarHBondContact O-CB 3.26Å; S160-S163 PolarHBondContact O-N 2.88Å; S160-S163 PolarHBondContact O-OG 3.49Å; S163-S165 VanDerWaalsContact C-N 3.31Å; S163-S165 PolarHBondContact O-N 2.81Å; S163-E166 PolarHBondContact O-N 3.5Å; S163-D167 PolarHBondContact O-N 2.82Å; S163-D167 VanDerWaalsContact O-OD2 3.12Å
164	F	87	Confident	75.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-33.9	172.9	-176.1	-108.9	0	0	0	112.8	L133 L136 I137 K140 S160 S161 D162 E166 D167 V168 I196 R200 L203	L133-F164 HydrophobicContact CD1-CE2 3.63Å; L133-F164 HydrophobicContact CD1-CZ 3.74Å; L133-F164 HydrophobicContact CG-CE2 4.3Å; L133-F164 HydrophobicContact CG-CZ 4.04Å; L136-F164 HydrophobicContact CD2-CD2 3.54Å; L136-F164 HydrophobicContact CD2-CE2 3.73Å; I137-F164 HydrophobicContact CB-CD2 4.13Å; I137-F164 HydrophobicContact CB-CE1 4.46Å; I137-F164 HydrophobicContact CB-CE2 3.57Å; I137-F164 HydrophobicContact CB-CZ 3.76Å; I137-F164 HydrophobicContact CD1-CB 4.38Å; I137-F164 HydrophobicContact CD1-CD1 3.88Å; I137-F164 HydrophobicContact CD1-CD2 3.8Å; I137-F164 HydrophobicContact CD1-CE1 4.08Å; I137-F164 HydrophobicContact CD1-CE2 4.03Å; I137-F164 HydrophobicContact CD1-CG 3.72Å; I137-F164 HydrophobicContact CD1-CZ 4.17Å; I137-F164 HydrophobicContact CG1-CE1 4.45Å; I137-F164 HydrophobicContact CG1-CE2 4.26Å; I137-F164 HydrophobicContact CG1-CZ 4.23Å; I137-F164 HydrophobicContact CG2-CZ 4.47Å; K140-F164 HydrophobicContact CD-CB 3.82Å; K140-F164 HydrophobicContact CD-CD2 4.08Å; K140-F164 HydrophobicContact CD-CG 4.4Å; S160-F164 PolarHBondContact O-N 3.02Å; S161-F164 PolarHBondContact O-N 3.3Å; D162-F164 VanDerWaalsContact C-N 3.28Å; D162-F164 PolarHBondContact O-N 3.16Å; F164-E166 VanDerWaalsContact C-N 3.31Å; F164-E166 PolarHBondContact O-N 3.11Å; F164-D167 HydrophobicContact CD2-CB 4.46Å; F164-D167 PolarHBondContact O-N 3.45Å; F164-V168 HydrophobicContact CD1-CG2 3.9Å; F164-V168 HydrophobicContact CE1-CG2 3.43Å; F164-V168 VanDerWaalsContact CE1-CG2 3.43Å; F164-V168 HydrophobicContact CE2-CG2 4.25Å; F164-V168 HydrophobicContact CZ-CG2 3.62Å; F164-V168 VanDerWaalsContact O-CG2 3.29Å; F164-V168 WeakPolarHBondContact O-CG2 3.36Å; F164-V168 PolarHBondContact O-N 3.31Å; F164-I196 HydrophobicContact CE1-CG2 3.93Å; F164-I196 HydrophobicContact CZ-CG2 3.75Å; F164-R200 HydrophobicContact CD1-CB 4.26Å; F164-R200 HydrophobicContact CD1-CG 3.91Å; F164-R200 HydrophobicContact CE1-CB 4.23Å; F164-R200 HydrophobicContact CE1-CG 4.28Å; F164-L203 HydrophobicContact CB-CD2 4.37Å
165	S	86	Confident	76.8	Confident	35 Å²	35	59.9 Å²	59.9	25%	0.245	35%	0.346	C	S	.	.	H	α-helix	trans	-67.7	-34	177.4	-55.8	0	0	0	0	111.2	S161 D162 S163 A169 R200	S161-S165 WeakPolarHBondContact O-CB 3.34Å; S161-S165 PolarHBondContact O-N 3.47Å; S161-S165 PolarHBondContact O-OG 3.34Å; D162-S165 WeakPolarHBondContact O-CA 3.43Å; D162-S165 WeakPolarHBondContact O-CB 3.46Å; D162-S165 PolarHBondContact O-N 2.77Å; S163-S165 VanDerWaalsContact C-N 3.31Å; S163-S165 PolarHBondContact O-N 2.81Å; S165-A169 PolarHBondContact O-N 2.73Å; S165-R200 PolarHBondContact OG-NH2 3.4Å
166	E	86.4	Confident	77.7	Confident	131 Å²	131	62.3 Å²	62.3	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-66	-45.4	167.5	-177.5	165.6	-154.3	0	0	111.8	D162 S163 F164 V168 A169 L170	D162-E166 PolarHBondContact O-N 2.94Å; S163-E166 PolarHBondContact O-N 3.5Å; F164-E166 VanDerWaalsContact C-N 3.31Å; F164-E166 PolarHBondContact O-N 3.11Å; E166-V168 VanDerWaalsContact C-N 3.33Å; E166-V168 PolarHBondContact O-N 3.06Å; E166-A169 WeakPolarHBondContact O-CB 3.46Å; E166-A169 PolarHBondContact O-N 3.5Å; E166-L170 HydrophobicContact CG-CD1 4.14Å; E166-L170 HydrophobicContact CG-CG 4.32Å; E166-L170 WeakPolarHBondContact O-CG 3.35Å; E166-L170 PolarHBondContact O-N 3.3Å
167	D	88.3	Confident	78.2	Confident	43 Å²	43	60.7 Å²	60.7	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-59	-40.3	176	-73.7	-54.4	0	0	0	112.4	L136 K140 S163 F164 A169 L170 F171	L136-D167 HydrophobicContact CD1-CB 4.15Å; L136-D167 HydrophobicContact CD2-CB 3.74Å; K140-D167 WeakPolarHBondContact CE-OD2 3.09Å; K140-D167 IonicContact NZ-OD2 3.78Å; K140-D167 PolarHBondContact NZ-OD2 2.69Å; S163-D167 PolarHBondContact O-N 2.82Å; S163-D167 VanDerWaalsContact O-OD2 3.12Å; F164-D167 HydrophobicContact CD2-CB 4.46Å; F164-D167 PolarHBondContact O-N 3.45Å; D167-A169 VanDerWaalsContact C-N 3.35Å; D167-A169 PolarHBondContact O-N 3.27Å; D167-L170 PolarHBondContact O-N 3.24Å; D167-F171 WeakPolarHBondContact O-CB 3.43Å; D167-F171 PolarHBondContact O-N 2.78Å
168	V	87.8	Confident	78.4	Confident	4 Å²	4	60.7 Å²	60.7	2%	0.024	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-43	172.3	172.7	0	0	0	0	111.1	L133 F164 E166 F171 A172 M441 L444	L133-V168 HydrophobicContact CD1-CG2 3.97Å; L133-V168 HydrophobicContact CD2-CG2 4.2Å; F164-V168 HydrophobicContact CD1-CG2 3.9Å; F164-V168 HydrophobicContact CE1-CG2 3.43Å; F164-V168 VanDerWaalsContact CE1-CG2 3.43Å; F164-V168 HydrophobicContact CE2-CG2 4.25Å; F164-V168 HydrophobicContact CZ-CG2 3.62Å; F164-V168 VanDerWaalsContact O-CG2 3.29Å; F164-V168 WeakPolarHBondContact O-CG2 3.36Å; F164-V168 PolarHBondContact O-N 3.31Å; E166-V168 VanDerWaalsContact C-N 3.33Å; E166-V168 PolarHBondContact O-N 3.06Å; V168-F171 PolarHBondContact O-N 2.9Å; V168-A172 WeakPolarHBondContact O-CB 3.34Å; V168-A172 PolarHBondContact O-N 3.07Å; V168-M441 HydrophobicContact CG1-CE 4.08Å; V168-L444 HydrophobicContact CG1-CB 4.35Å
169	A	85.7	Confident	78.2	Confident	54 Å²	54	65.3 Å²	65.3	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-69.2	-39.9	179.9	0	0	0	0	0	112.5	S165 E166 D167 K173	S165-A169 PolarHBondContact O-N 2.73Å; E166-A169 WeakPolarHBondContact O-CB 3.46Å; E166-A169 PolarHBondContact O-N 3.5Å; D167-A169 VanDerWaalsContact C-N 3.35Å; D167-A169 PolarHBondContact O-N 3.27Å; A169-K173 PolarHBondContact O-N 3.02Å; A169-K173 VanDerWaalsContact O-N 3.11Å
170	L	85.4	Confident	77.9	Confident	93 Å²	93	67.5 Å²	67.5	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-43.6	172.3	-68.3	176.2	0	0	0	110.9	E166 D167 A172 K173 Q174	E166-L170 HydrophobicContact CG-CD1 4.14Å; E166-L170 HydrophobicContact CG-CG 4.32Å; E166-L170 WeakPolarHBondContact O-CG 3.35Å; E166-L170 PolarHBondContact O-N 3.3Å; D167-L170 PolarHBondContact O-N 3.24Å; L170-A172 PolarHBondContact O-N 3.42Å; L170-K173 WeakPolarHBondContact O-CA 3.47Å; L170-K173 VanDerWaalsContact O-CB 3.3Å; L170-K173 WeakPolarHBondContact O-CB 3.36Å; L170-K173 PolarHBondContact O-N 3.27Å; L170-K173 VanDerWaalsContact O-N 3.07Å; L170-Q174 PolarHBondContact O-N 3.42Å
171	F	87.1	Confident	77.2	Confident	36 Å²	36	78.8 Å²	78.8	16%	0.158	39%	0.389	C	S	.	.	H	α-helix	trans	-62.3	-43.8	176.4	-165.5	-99.2	0	0	0	112	P129 L130 P132 L133 D167 V168 K173 Q174 M175 M441	P129-F171 WeakPolarHBondContact O-CZ 3.27Å; L130-F171 HydrophobicContact CD2-CE1 4.08Å; P132-F171 HydrophobicContact CB-CE2 3.89Å; P132-F171 HydrophobicContact CB-CZ 4.41Å; P132-F171 HydrophobicContact CG-CE2 4.12Å; P132-F171 HydrophobicContact CG-CZ 4.29Å; L133-F171 HydrophobicContact CB-CD1 4.08Å; L133-F171 HydrophobicContact CB-CE1 4.24Å; L133-F171 HydrophobicContact CB-CG 4.24Å; L133-F171 HydrophobicContact CD1-CB 4.27Å; L133-F171 HydrophobicContact CD1-CG 4.41Å; L133-F171 HydrophobicContact CD2-CD1 3.99Å; L133-F171 HydrophobicContact CD2-CG 4.46Å; D167-F171 WeakPolarHBondContact O-CB 3.43Å; D167-F171 PolarHBondContact O-N 2.78Å; V168-F171 PolarHBondContact O-N 2.9Å; F171-K173 PolarHBondContact O-N 3.37Å; F171-Q174 PolarHBondContact O-N 3.07Å; F171-M175 HydrophobicContact CD1-CG 3.79Å; F171-M175 HydrophobicContact CE1-CG 3.36Å; F171-M175 HydrophobicContact CE1-SD 3.94Å; F171-M175 HydrophobicContact CZ-CG 3.77Å; F171-M175 HydrophobicContact CZ-SD 3.94Å; F171-M175 WeakPolarHBondContact O-CB 3.32Å; F171-M175 WeakPolarHBondContact O-CG 3.34Å; F171-M175 PolarHBondContact O-N 2.84Å; F171-M441 HydrophobicContact CD1-CE 3.95Å; F171-M441 HydrophobicContact CD1-SD 4.27Å
172	A	83.4	Confident	77	Confident	4 Å²	4	80.4 Å²	80.4	3%	0.033	40%	0.395	C	S	.	.	H	α-helix	trans	-60.2	-30.4	173.3	0	0	0	0	0	112.7	V168 L170 R176 M441	V168-A172 WeakPolarHBondContact O-CB 3.34Å; V168-A172 PolarHBondContact O-N 3.07Å; L170-A172 PolarHBondContact O-N 3.42Å; A172-R176 VanDerWaalsContact O-CD 3.32Å; A172-R176 WeakPolarHBondContact O-CD 3.41Å; A172-R176 VanDerWaalsContact O-CG 3.24Å; A172-R176 WeakPolarHBondContact O-CG 3.42Å; A172-M441 HydrophobicContact CB-CE 3.65Å
173	K	81.2	Confident	76.6	Confident	149 Å²	149	78 Å²	78	65%	0.648	39%	0.394	S	S	*	.	H	α-helix	trans	-74.6	-43.6	175.8	-158.1	177.2	-177.2	-179.1	0	111.4	A169 L170 F171 R176 S177	A169-K173 PolarHBondContact O-N 3.02Å; A169-K173 VanDerWaalsContact O-N 3.11Å; L170-K173 WeakPolarHBondContact O-CA 3.47Å; L170-K173 VanDerWaalsContact O-CB 3.3Å; L170-K173 WeakPolarHBondContact O-CB 3.36Å; L170-K173 PolarHBondContact O-N 3.27Å; L170-K173 VanDerWaalsContact O-N 3.07Å; F171-K173 PolarHBondContact O-N 3.37Å; K173-R176 WeakPolarHBondContact O-CB 3.37Å; K173-R176 PolarHBondContact O-N 3.03Å; K173-S177 PolarHBondContact O-N 3.18Å
174	Q	80.5	Confident	76.2	Confident	104 Å²	104	80.4 Å²	80.4	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-42.3	176.5	-170.5	62.4	36	0	0	112.3	L170 F171 R176 S177 D178	L170-Q174 PolarHBondContact O-N 3.42Å; F171-Q174 PolarHBondContact O-N 3.07Å; Q174-R176 PolarHBondContact O-N 3.32Å; Q174-R176 VanDerWaalsContact O-N 3.08Å; Q174-S177 PolarHBondContact O-N 3.19Å; Q174-S177 PolarHBondContact O-OG 3.3Å; Q174-D178 PolarHBondContact NE2-OD2 3.4Å; Q174-D178 PolarHBondContact O-N 2.88Å; Q174-D178 VanDerWaalsContact O-N 3.11Å
175	M	73	Confident	75.9	Confident	40 Å²	40	83.7 Å²	83.7	20%	0.197	43%	0.426	C	S	.	.	H	α-helix	trans	-63.1	-11.2	174.2	-77.9	-66.3	-59.3	0	0	114.3	P129 F171 P180 L437	P129-M175 HydrophobicContact CB-CE 3.57Å; P129-M175 HydrophobicContact CB-SD 4.07Å; P129-M175 HydrophobicContact CG-CE 4.49Å; F171-M175 HydrophobicContact CD1-CG 3.79Å; F171-M175 HydrophobicContact CE1-CG 3.36Å; F171-M175 HydrophobicContact CE1-SD 3.94Å; F171-M175 HydrophobicContact CZ-CG 3.77Å; F171-M175 HydrophobicContact CZ-SD 3.94Å; F171-M175 WeakPolarHBondContact O-CB 3.32Å; F171-M175 WeakPolarHBondContact O-CG 3.34Å; F171-M175 PolarHBondContact O-N 2.84Å; M175-P180 HydrophobicContact CE-CG 3.76Å; M175-P180 HydrophobicContact SD-CG 4.2Å; M175-L437 HydrophobicContact CE-CD1 4.49Å
176	R	67.1	Low	75.6	Confident	145 Å²	145	84.6 Å²	84.6	55%	0.547	44%	0.441	S	S	.	.	H	α-helix	trans	-92.7	-26.6	172.2	-71.1	165.2	-176.1	144	-1.1	112.7	A172 K173 Q174 D442	A172-R176 VanDerWaalsContact O-CD 3.32Å; A172-R176 WeakPolarHBondContact O-CD 3.41Å; A172-R176 VanDerWaalsContact O-CG 3.24Å; A172-R176 WeakPolarHBondContact O-CG 3.42Å; K173-R176 WeakPolarHBondContact O-CB 3.37Å; K173-R176 PolarHBondContact O-N 3.03Å; Q174-R176 PolarHBondContact O-N 3.32Å; Q174-R176 VanDerWaalsContact O-N 3.08Å; R176-D442 IonicContact NH2-OD1 3.23Å
177	S	65	Low	75.4	Confident	77 Å²	77	86.2 Å²	86.2	54%	0.538	45%	0.449	S	S	.	.	H	α-helix	trans	-81.9	-46.4	177.3	41.5	0	0	0	0	112.3	K173 Q174	K173-S177 PolarHBondContact O-N 3.18Å; Q174-S177 PolarHBondContact O-N 3.19Å; Q174-S177 PolarHBondContact O-OG 3.3Å
178	D	62.3	Low	75.1	Confident	94 Å²	94	85.1 Å²	85.1	50%	0.503	44%	0.442	S	S	.	.	S	Bend	trans	-81	131.4	173.8	-62.2	-43	0	0	0	109	Q174 P180	Q174-D178 PolarHBondContact NE2-OD2 3.4Å; Q174-D178 PolarHBondContact O-N 2.88Å; Q174-D178 VanDerWaalsContact O-N 3.11Å; D178-P180 VanDerWaalsContact O-CD 3.27Å; D178-P180 WeakPolarHBondContact O-CD 3.4Å
179	K	55.1	Low	74.8	Confident	185 Å²	185	85.1 Å²	85.1	80%	0.804	44%	0.442	S	S	*	.			trans	-86.9	104.9	159.4	-95.5	89.6	171	-172.2	0	106.8	Y181	K179-Y181 PolarHBondContact O-N 3.18Å
180	P	61.7	Low	74.6	Confident	60 Å²	60	84.6 Å²	84.6	39%	0.39	44%	0.438	S	S	.	.			trans	-70.4	132.8	167.4	-1	19.4	0	0	0	107.1	M175 D178 Y182	M175-P180 HydrophobicContact CE-CG 3.76Å; M175-P180 HydrophobicContact SD-CG 4.2Å; D178-P180 VanDerWaalsContact O-CD 3.27Å; D178-P180 WeakPolarHBondContact O-CD 3.4Å; P180-Y182 PolarHBondContact O-N 2.97Å
181	Y	59.9	Low	74.4	Confident	247 Å²	247	82.2 Å²	82.2	97%	0.969	43%	0.425	S	S	*	.			trans	-73.3	71.9	162.8	-82.3	-87.1	0	0	0	108.6	K179	K179-Y181 PolarHBondContact O-N 3.18Å
182	Y	72.1	Confident	74.3	Confident	35 Å²	35	80.7 Å²	80.7	14%	0.137	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-97.5	131.6	176.4	177.5	-116.5	0	0	0	109.9	H128 P129 P180 P184 N185 D189 L437	H128-Y182 AromaticContact CD2-CE2 3.76Å; H128-Y182 AromaticContact CD2-CZ 3.59Å; H128-Y182 PolarHBondContact CD2-OH 3.14Å; H128-Y182 AromaticContact NE2-CZ 3.73Å; H128-Y182 PolarHBondContact NE2-OH 3.31Å; P129-Y182 HydrophobicContact CG-CD1 3.96Å; P129-Y182 HydrophobicContact CG-CD2 4.04Å; P129-Y182 HydrophobicContact CG-CE1 4.18Å; P129-Y182 HydrophobicContact CG-CE2 4.31Å; P129-Y182 HydrophobicContact CG-CG 3.86Å; P180-Y182 PolarHBondContact O-N 2.97Å; Y182-P184 WeakPolarHBondContact O-CD 3.08Å; Y182-N185 PolarHBondContact OH-N 2.97Å; Y182-D189 VanDerWaalsContact CE1-OD1 3.25Å; Y182-D189 WeakPolarHBondContact CE1-OD1 3.06Å; Y182-D189 VanDerWaalsContact CZ-OD1 3.3Å; Y182-D189 PolarHBondContact OH-OD1 2.78Å; Y182-L437 HydrophobicContact CD1-CD1 3.66Å; Y182-L437 HydrophobicContact CD1-CG 4.48Å; Y182-L437 HydrophobicContact CE1-CD1 4.12Å; Y182-L437 HydrophobicContact CE1-CD2 4.5Å
183	A	71.7	Confident	74.2	Confident	79 Å²	79	81.1 Å²	81.1	65%	0.653	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-85.5	116.6	168.9	0	0	0	0	0	108.6	N185	A183-N185 PolarHBondContact O-N 3.33Å
184	P	74.6	Confident	74.1	Confident	73 Å²	73	78 Å²	78	47%	0.474	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.2	127.2	-177.8	-27.1	36.5	0	0	0	112.6	Y182 V433	Y182-P184 WeakPolarHBondContact O-CD 3.08Å; P184-V433 HydrophobicContact CG-CB 4.18Å; P184-V433 HydrophobicContact CG-CG1 3.72Å; P184-V433 HydrophobicContact CG-CG2 3.93Å
185	N	79.1	Confident	74.1	Confident	70 Å²	70	73.7 Å²	73.7	37%	0.374	39%	0.391	S	S	.	.			trans	-128.2	96.6	170.5	179.8	-3.9	0	0	0	108.3	Y182 A183 E187 L188 D189	Y182-N185 PolarHBondContact OH-N 2.97Å; A183-N185 PolarHBondContact O-N 3.33Å; N185-E187 PolarHBondContact O-N 3.19Å; N185-E187 VanDerWaalsContact O-N 3.16Å; N185-E187 PolarHBondContact OD1-N 3.03Å; N185-L188 HydrophobicContact CB-CB 4.04Å; N185-L188 PolarHBondContact O-N 3.5Å; N185-L188 VanDerWaalsContact O-N 3.1Å; N185-D189 WeakPolarHBondContact O-CB 3.27Å; N185-D189 PolarHBondContact O-N 3.29Å
186	G	79.9	Confident	74.7	Confident	53 Å²	53	71.8 Å²	71.8	55%	0.546	38%	0.382	S	S	.	.	H	α-helix	trans	-60.3	-27.9	-172.5	0	0	0	0	0	114.7	A190	G186-A190 VanDerWaalsContact O-CB 3.3Å; G186-A190 WeakPolarHBondContact O-CB 3.31Å; G186-A190 PolarHBondContact O-N 2.83Å; G186-A190 VanDerWaalsContact O-N 3.12Å
187	E	82.1	Confident	75.5	Confident	166 Å²	166	68 Å²	68	78%	0.776	37%	0.37	S	S	*	.	H	α-helix	trans	-72.2	-44.5	176	-64.7	178.5	175.5	0	0	111	N185 A190 L191	N185-E187 PolarHBondContact O-N 3.19Å; N185-E187 VanDerWaalsContact O-N 3.16Å; N185-E187 PolarHBondContact OD1-N 3.03Å; E187-A190 PolarHBondContact O-N 3.07Å; E187-L191 WeakPolarHBondContact O-CB 3.43Å; E187-L191 PolarHBondContact O-N 3.18Å
188	L	82	Confident	76.2	Confident	19 Å²	19	67.4 Å²	67.4	10%	0.099	36%	0.363	C	S	.	.	H	α-helix	trans	-70	-40.8	176.2	-178	61.6	0	0	0	111.9	I125 H128 N185 A190 L191 M192	I125-L188 HydrophobicContact CG1-CD1 3.88Å; H128-L188 HydrophobicContact CB-CD2 4.45Å; N185-L188 HydrophobicContact CB-CB 4.04Å; N185-L188 PolarHBondContact O-N 3.5Å; N185-L188 VanDerWaalsContact O-N 3.1Å; L188-A190 VanDerWaalsContact C-N 3.29Å; L188-A190 PolarHBondContact O-N 2.85Å; L188-L191 HydrophobicContact CD1-CD2 4.41Å; L188-L191 PolarHBondContact O-N 2.63Å; L188-M192 HydrophobicContact CD1-CG 3.99Å; L188-M192 HydrophobicContact CG-CG 4.27Å; L188-M192 WeakPolarHBondContact O-CB 3.35Å; L188-M192 WeakPolarHBondContact O-CG 3.12Å; L188-M192 PolarHBondContact O-N 3.06Å
189	D	82.5	Confident	77.3	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-54.3	-48.4	173.8	-68.7	-1.3	0	0	0	109.7	H128 Y182 N185 V193	H128-D189 IonicContact NE2-OD1 2.62Å; H128-D189 PolarHBondContact NE2-OD1 3.12Å; Y182-D189 VanDerWaalsContact CE1-OD1 3.25Å; Y182-D189 WeakPolarHBondContact CE1-OD1 3.06Å; Y182-D189 VanDerWaalsContact CZ-OD1 3.3Å; Y182-D189 PolarHBondContact OH-OD1 2.78Å; N185-D189 WeakPolarHBondContact O-CB 3.27Å; N185-D189 PolarHBondContact O-N 3.29Å; D189-V193 WeakPolarHBondContact O-CG2 3.37Å; D189-V193 PolarHBondContact O-N 2.73Å; D189-V193 VanDerWaalsContact O-N 3.09Å
190	A	81.6	Confident	78.8	Confident	43 Å²	43	57.3 Å²	57.3	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-45.2	179.2	0	0	0	0	0	112.6	G186 E187 L188 M192 V193 Q194	G186-A190 VanDerWaalsContact O-CB 3.3Å; G186-A190 WeakPolarHBondContact O-CB 3.31Å; G186-A190 PolarHBondContact O-N 2.83Å; G186-A190 VanDerWaalsContact O-N 3.12Å; E187-A190 PolarHBondContact O-N 3.07Å; L188-A190 VanDerWaalsContact C-N 3.29Å; L188-A190 PolarHBondContact O-N 2.85Å; A190-M192 VanDerWaalsContact C-N 3.35Å; A190-M192 PolarHBondContact O-N 2.67Å; A190-V193 PolarHBondContact O-N 2.85Å; A190-Q194 WeakPolarHBondContact O-CB 3.07Å; A190-Q194 WeakPolarHBondContact O-CG 3.31Å; A190-Q194 PolarHBondContact O-N 3.38Å
191	L	80.8	Confident	79.7	Confident	43 Å²	43	59.7 Å²	59.7	23%	0.225	32%	0.318	C	S	.	.	H	α-helix	trans	-58.3	-45.5	176.6	175.3	61.6	0	0	0	111.8	E187 L188 Q194 A195 V492	E187-L191 WeakPolarHBondContact O-CB 3.43Å; E187-L191 PolarHBondContact O-N 3.18Å; L188-L191 HydrophobicContact CD1-CD2 4.41Å; L188-L191 PolarHBondContact O-N 2.63Å; L191-Q194 PolarHBondContact O-N 2.87Å; L191-A195 WeakPolarHBondContact O-CB 3.34Å; L191-A195 PolarHBondContact O-N 3.37Å; L191-V492 HydrophobicContact CD1-CG2 3.66Å
192	M	84.8	Confident	80.9	Confident	5 Å²	5	51 Å²	51	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-39.8	179.6	-70	-70.5	-67.1	0	0	111.9	I125 H128 L130 F131 L134 L188 A190 I196	I125-M192 HydrophobicContact CG2-SD 4.02Å; H128-M192 HydrophobicContact CB-CE 4.19Å; L130-M192 HydrophobicContact CB-CB 4.43Å; L130-M192 HydrophobicContact CB-CE 4.12Å; L130-M192 HydrophobicContact CD1-CB 4.15Å; F131-M192 HydrophobicContact CB-CE 4.41Å; L134-M192 HydrophobicContact CB-CE 4Å; L134-M192 HydrophobicContact CD2-CE 3.67Å; L134-M192 HydrophobicContact CD2-SD 3.88Å; L134-M192 HydrophobicContact CG-CE 4.47Å; L188-M192 HydrophobicContact CD1-CG 3.99Å; L188-M192 HydrophobicContact CG-CG 4.27Å; L188-M192 WeakPolarHBondContact O-CB 3.35Å; L188-M192 WeakPolarHBondContact O-CG 3.12Å; L188-M192 PolarHBondContact O-N 3.06Å; A190-M192 VanDerWaalsContact C-N 3.35Å; A190-M192 PolarHBondContact O-N 2.67Å; M192-I196 WeakPolarHBondContact O-CD1 3.42Å; M192-I196 VanDerWaalsContact O-CG1 3.28Å; M192-I196 WeakPolarHBondContact O-CG1 3.19Å; M192-I196 PolarHBondContact O-N 2.91Å; M192-I196 VanDerWaalsContact O-N 3.15Å
193	V	82.5	Confident	81.5	Confident	12 Å²	12	49.3 Å²	49.3	7%	0.073	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-47.8	174.6	168.3	0	0	0	0	111.2	L130 D189 A190 A195 I196 Q197 T440 L444	L130-V193 HydrophobicContact CD1-CG2 3.96Å; D189-V193 WeakPolarHBondContact O-CG2 3.37Å; D189-V193 PolarHBondContact O-N 2.73Å; D189-V193 VanDerWaalsContact O-N 3.09Å; A190-V193 PolarHBondContact O-N 2.85Å; V193-A195 PolarHBondContact O-N 3.44Å; V193-I196 PolarHBondContact O-N 3.04Å; V193-Q197 HydrophobicContact CG1-CG 4.45Å; V193-Q197 WeakPolarHBondContact O-CG 3.48Å; V193-Q197 PolarHBondContact O-N 3.02Å; V193-T440 HydrophobicContact CG2-CG2 4.05Å; V193-L444 HydrophobicContact CB-CD2 4.46Å; V193-L444 HydrophobicContact CG1-CD2 3.91Å; V193-L444 HydrophobicContact CG1-CG 4.15Å; V193-L444 HydrophobicContact CG2-CD1 4.21Å; V193-L444 HydrophobicContact CG2-CG 4.33Å
194	Q	77.7	Confident	82.1	Confident	84 Å²	84	48.3 Å²	48.3	39%	0.393	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-43.5	179.2	-73.8	175.3	-3.4	0	0	111.9	A190 L191 I196 Q197 V198	A190-Q194 WeakPolarHBondContact O-CB 3.07Å; A190-Q194 WeakPolarHBondContact O-CG 3.31Å; A190-Q194 PolarHBondContact O-N 3.38Å; L191-Q194 PolarHBondContact O-N 2.87Å; Q194-I196 VanDerWaalsContact C-N 3.34Å; Q194-I196 PolarHBondContact O-N 3.5Å; Q194-Q197 PolarHBondContact O-N 3.45Å; Q194-V198 WeakPolarHBondContact O-CG2 3.49Å; Q194-V198 PolarHBondContact O-N 2.8Å
195	A	80.9	Confident	82.4	Confident	13 Å²	13	47.1 Å²	47.1	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-45.3	176.2	0	0	0	0	0	111.8	L134 L191 V193 V198 L199	L134-A195 HydrophobicContact CD1-CB 4.07Å; L191-A195 WeakPolarHBondContact O-CB 3.34Å; L191-A195 PolarHBondContact O-N 3.37Å; V193-A195 PolarHBondContact O-N 3.44Å; A195-V198 PolarHBondContact O-N 2.83Å; A195-L199 WeakPolarHBondContact O-CB 3.44Å; A195-L199 WeakPolarHBondContact O-CD1 3.47Å; A195-L199 VanDerWaalsContact O-CG 3.27Å; A195-L199 WeakPolarHBondContact O-CG 3.33Å; A195-L199 PolarHBondContact O-N 3.48Å
196	I	85.6	Confident	82.4	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-41	176.7	-67	166	0	0	0	111.4	L130 L133 L134 F164 M192 V193 Q194 L199 R200 L444	L130-I196 HydrophobicContact CB-CD1 4.13Å; L130-I196 HydrophobicContact CD1-CD1 4.4Å; L133-I196 HydrophobicContact CB-CD1 4.35Å; L133-I196 HydrophobicContact CD2-CD1 4.1Å; L133-I196 HydrophobicContact CG-CD1 4.16Å; L134-I196 HydrophobicContact CB-CD1 4.39Å; L134-I196 HydrophobicContact CB-CG1 4.22Å; L134-I196 HydrophobicContact CD1-CG1 4Å; F164-I196 HydrophobicContact CE1-CG2 3.93Å; F164-I196 HydrophobicContact CZ-CG2 3.75Å; M192-I196 WeakPolarHBondContact O-CD1 3.42Å; M192-I196 VanDerWaalsContact O-CG1 3.28Å; M192-I196 WeakPolarHBondContact O-CG1 3.19Å; M192-I196 PolarHBondContact O-N 2.91Å; M192-I196 VanDerWaalsContact O-N 3.15Å; V193-I196 PolarHBondContact O-N 3.04Å; Q194-I196 VanDerWaalsContact C-N 3.34Å; Q194-I196 PolarHBondContact O-N 3.5Å; I196-L199 PolarHBondContact O-N 3.3Å; I196-R200 WeakPolarHBondContact O-CB 3.3Å; I196-R200 PolarHBondContact O-N 3.18Å; I196-L444 HydrophobicContact CB-CD2 4.07Å; I196-L444 HydrophobicContact CD1-CD1 4.39Å; I196-L444 HydrophobicContact CG2-CD2 3.81Å
197	Q	83.1	Confident	82.5	Confident	65 Å²	65	44.7 Å²	44.7	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-44.5	177.6	-75.4	176.1	-31.9	0	0	112.5	V193 Q194 R200 F201 L444 T447	V193-Q197 HydrophobicContact CG1-CG 4.45Å; V193-Q197 WeakPolarHBondContact O-CG 3.48Å; V193-Q197 PolarHBondContact O-N 3.02Å; Q194-Q197 PolarHBondContact O-N 3.45Å; Q197-R200 PolarHBondContact O-N 3.38Å; Q197-F201 PolarHBondContact O-N 2.86Å; Q197-L444 HydrophobicContact CG-CD2 3.88Å; Q197-T447 PolarHBondContact NE2-OG1 3.11Å
198	V	80.5	Confident	82.4	Confident	64 Å²	64	42 Å²	42	39%	0.388	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-44.6	177.9	173.5	0	0	0	0	111	Q194 A195 R200 F201 H202 V496	Q194-V198 WeakPolarHBondContact O-CG2 3.49Å; Q194-V198 PolarHBondContact O-N 2.8Å; A195-V198 PolarHBondContact O-N 2.83Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 3Å; V198-F201 WeakPolarHBondContact O-CB 3.43Å; V198-F201 PolarHBondContact O-N 3.04Å; V198-H202 PolarHBondContact O-N 2.92Å; V198-V496 HydrophobicContact CG1-CG1 4.27Å; V198-V496 HydrophobicContact CG1-CG2 3.95Å
199	L	86.1	Confident	82.4	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.079	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-35.7	178.1	-68.2	166.1	0	0	0	112.3	L134 I137 F138 A195 I196 F201 H202 L203	L134-L199 HydrophobicContact CD1-CD1 3.74Å; I137-L199 HydrophobicContact CB-CB 4.44Å; I137-L199 HydrophobicContact CG1-CB 3.55Å; I137-L199 HydrophobicContact CG2-CB 3.99Å; I137-L199 HydrophobicContact CG2-CD1 3.79Å; F138-L199 HydrophobicContact CD1-CD1 4.06Å; F138-L199 HydrophobicContact CD1-CD2 4.14Å; F138-L199 HydrophobicContact CD2-CD1 4.28Å; F138-L199 HydrophobicContact CE1-CD1 3.65Å; F138-L199 HydrophobicContact CE1-CD2 3.72Å; F138-L199 HydrophobicContact CE1-CG 4.36Å; F138-L199 HydrophobicContact CE2-CD1 3.89Å; F138-L199 HydrophobicContact CG-CD1 4.35Å; F138-L199 HydrophobicContact CZ-CD1 3.55Å; F138-L199 HydrophobicContact CZ-CD2 4.37Å; A195-L199 WeakPolarHBondContact O-CB 3.44Å; A195-L199 WeakPolarHBondContact O-CD1 3.47Å; A195-L199 VanDerWaalsContact O-CG 3.27Å; A195-L199 WeakPolarHBondContact O-CG 3.33Å; A195-L199 PolarHBondContact O-N 3.48Å; I196-L199 PolarHBondContact O-N 3.3Å; L199-F201 VanDerWaalsContact C-N 3.34Å; L199-F201 PolarHBondContact O-N 3.13Å; L199-H202 WeakPolarHBondContact O-CB 3.36Å; L199-H202 PolarHBondContact O-N 3.47Å; L199-L203 PolarHBondContact O-N 3.28Å
200	R	85.4	Confident	82.2	Confident	52 Å²	52	46.1 Å²	46.1	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-65.2	-35	172.7	-174.9	179.6	177.1	-134.6	0.5	112.7	S161 F164 S165 I196 Q197 V198 L204 T447	S161-R200 VanDerWaalsContact OG-CG 3.3Å; S161-R200 WeakPolarHBondContact OG-CG 3.48Å; F164-R200 HydrophobicContact CD1-CB 4.26Å; F164-R200 HydrophobicContact CD1-CG 3.91Å; F164-R200 HydrophobicContact CE1-CB 4.23Å; F164-R200 HydrophobicContact CE1-CG 4.28Å; S165-R200 PolarHBondContact OG-NH2 3.4Å; I196-R200 WeakPolarHBondContact O-CB 3.3Å; I196-R200 PolarHBondContact O-N 3.18Å; Q197-R200 PolarHBondContact O-N 3.38Å; V198-R200 VanDerWaalsContact C-N 3.34Å; V198-R200 PolarHBondContact O-N 3Å; R200-L204 PolarHBondContact O-N 2.77Å; R200-T447 PolarHBondContact NH1-O 3.08Å
201	F	80.8	Confident	82.1	Confident	111 Å²	111	50.2 Å²	50.2	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-69	-41.4	172.8	-171.4	-99.2	0	0	0	111.4	Q197 V198 L199 L203 L204 E205	Q197-F201 PolarHBondContact O-N 2.86Å; V198-F201 WeakPolarHBondContact O-CB 3.43Å; V198-F201 PolarHBondContact O-N 3.04Å; L199-F201 VanDerWaalsContact C-N 3.34Å; L199-F201 PolarHBondContact O-N 3.13Å; F201-L203 VanDerWaalsContact C-N 3.32Å; F201-L203 PolarHBondContact O-N 3.24Å; F201-L204 WeakPolarHBondContact O-CB 3.42Å; F201-L204 PolarHBondContact O-N 3.32Å; F201-E205 HydrophobicContact CD1-CG 4.22Å; F201-E205 VanDerWaalsContact CE1-CD 3.49Å; F201-E205 HydrophobicContact CE1-CG 3.96Å; F201-E205 WeakPolarHBondContact CE1-OE1 3.48Å; F201-E205 HydrophobicContact CZ-CG 4.49Å; F201-E205 PolarHBondContact O-N 3Å
202	H	84.3	Confident	81.9	Confident	63 Å²	63	54.1 Å²	54.1	29%	0.292	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-39.7	175.3	-170.5	55.7	0	0	0	112.6	V198 L199 E205 L206	V198-H202 PolarHBondContact O-N 2.92Å; L199-H202 WeakPolarHBondContact O-CB 3.36Å; L199-H202 PolarHBondContact O-N 3.47Å; H202-E205 PolarHBondContact O-N 3.46Å; H202-L206 WeakPolarHBondContact O-CG 3.47Å; H202-L206 PolarHBondContact O-N 3.18Å
203	L	85.9	Confident	81.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.5	-45.3	174.4	-165.2	63.8	0	0	0	111.9	I137 K140 A144 C159 F164 L199 F201 E205 L206 E207	I137-L203 HydrophobicContact CD1-CB 4.39Å; I137-L203 HydrophobicContact CD1-CD2 3.8Å; K140-L203 HydrophobicContact CB-CD1 4.28Å; K140-L203 HydrophobicContact CB-CD2 3.98Å; K140-L203 HydrophobicContact CD-CD2 4.27Å; A144-L203 HydrophobicContact CB-CD1 3.76Å; C159-L203 WeakPolarHBondContact O-CD1 3.28Å; F164-L203 HydrophobicContact CB-CD2 4.37Å; L199-L203 PolarHBondContact O-N 3.28Å; F201-L203 VanDerWaalsContact C-N 3.32Å; F201-L203 PolarHBondContact O-N 3.24Å; L203-E205 VanDerWaalsContact C-N 3.27Å; L203-E205 PolarHBondContact O-N 3.27Å; L203-L206 WeakPolarHBondContact O-CB 3.42Å; L203-L206 PolarHBondContact O-N 3.21Å; L203-E207 WeakPolarHBondContact O-CG 2.83Å; L203-E207 PolarHBondContact O-N 3.06Å
204	L	83.4	Confident	81.3	Confident	59 Å²	59	57.6 Å²	57.6	31%	0.309	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-30.6	174.6	-74.5	167.4	0	0	0	113.5	S161 R200 F201 K208	S161-L204 WeakPolarHBondContact OG-CG 3.36Å; R200-L204 PolarHBondContact O-N 2.77Å; F201-L204 WeakPolarHBondContact O-CB 3.42Å; F201-L204 PolarHBondContact O-N 3.32Å; L204-K208 WeakPolarHBondContact O-CD 3.24Å; L204-K208 WeakPolarHBondContact O-CG 3.4Å; L204-K208 PolarHBondContact O-N 3.18Å
205	E	82.2	Confident	81.4	Confident	48 Å²	48	56.6 Å²	56.6	22%	0.224	28%	0.284	C	S	.	.	H	α-helix	trans	-73.3	-42.9	173.8	-69.8	-173.8	140.4	0	0	111.5	F201 H202 L203 E207 K208 V209 V473	F201-E205 HydrophobicContact CD1-CG 4.22Å; F201-E205 VanDerWaalsContact CE1-CD 3.49Å; F201-E205 HydrophobicContact CE1-CG 3.96Å; F201-E205 WeakPolarHBondContact CE1-OE1 3.48Å; F201-E205 HydrophobicContact CZ-CG 4.49Å; F201-E205 PolarHBondContact O-N 3Å; H202-E205 PolarHBondContact O-N 3.46Å; L203-E205 VanDerWaalsContact C-N 3.27Å; L203-E205 PolarHBondContact O-N 3.27Å; E205-E207 VanDerWaalsContact C-N 3.33Å; E205-E207 PolarHBondContact O-N 2.85Å; E205-K208 PolarHBondContact O-N 3.42Å; E205-V209 WeakPolarHBondContact O-CG2 3.5Å; E205-V209 PolarHBondContact O-N 2.94Å; E205-V473 VanDerWaalsContact OE1-CG1 3.31Å; E205-V473 WeakPolarHBondContact OE1-CG1 3.28Å
206	L	79	Confident	81.4	Confident	26 Å²	26	62.7 Å²	62.7	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-43.2	174.1	-70	170.9	0	0	0	111.4	A144 T145 H202 L203 K208 V209 H210	A144-L206 HydrophobicContact CB-CB 4.38Å; A144-L206 HydrophobicContact CB-CD1 4.02Å; T145-L206 HydrophobicContact CG2-CD1 3.82Å; T145-L206 HydrophobicContact CG2-CD2 4.02Å; H202-L206 WeakPolarHBondContact O-CG 3.47Å; H202-L206 PolarHBondContact O-N 3.18Å; L203-L206 WeakPolarHBondContact O-CB 3.42Å; L203-L206 PolarHBondContact O-N 3.21Å; L206-K208 PolarHBondContact O-N 2.93Å; L206-V209 PolarHBondContact O-N 3.45Å; L206-H210 WeakPolarHBondContact O-CB 3.32Å; L206-H210 PolarHBondContact O-CD2 2.79Å; L206-H210 PolarHBondContact O-N 3.4Å; L206-H210 PolarHBondContact O-ND1 3.13Å
207	E	82.1	Confident	81.1	Confident	45 Å²	45	64.5 Å²	64.5	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-45.5	173.9	-72.6	162.2	-118.4	0	0	112.8	S160 S161 L203 E205 H210 E211	S160-E207 WeakPolarHBondContact CA-OE1 3.46Å; S160-E207 VanDerWaalsContact CB-CD 3.49Å; S160-E207 VanDerWaalsContact CB-OE2 3.27Å; S160-E207 WeakPolarHBondContact CB-OE2 3.37Å; S161-E207 VanDerWaalsContact CB-OE1 3.27Å; S161-E207 WeakPolarHBondContact CB-OE1 3.41Å; S161-E207 PolarHBondContact N-OE1 3.49Å; L203-E207 WeakPolarHBondContact O-CG 2.83Å; L203-E207 PolarHBondContact O-N 3.06Å; E205-E207 VanDerWaalsContact C-N 3.33Å; E205-E207 PolarHBondContact O-N 2.85Å; E207-H210 WeakPolarHBondContact O-CA 3.5Å; E207-H210 WeakPolarHBondContact O-CB 3.27Å; E207-H210 PolarHBondContact O-N 2.77Å; E207-H210 VanDerWaalsContact O-N 3.16Å; E207-E211 PolarHBondContact O-N 3Å
208	K	79.2	Confident	80.9	Confident	111 Å²	111	66.3 Å²	66.3	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-68.3	-42.3	178.4	-71.3	167.4	-172.7	167	0	112.4	L204 E205 L206 H210 E211 L212	L204-K208 WeakPolarHBondContact O-CD 3.24Å; L204-K208 WeakPolarHBondContact O-CG 3.4Å; L204-K208 PolarHBondContact O-N 3.18Å; E205-K208 PolarHBondContact O-N 3.42Å; L206-K208 PolarHBondContact O-N 2.93Å; K208-H210 PolarHBondContact O-N 3.5Å; K208-E211 PolarHBondContact O-N 3.29Å; K208-L212 WeakPolarHBondContact O-CB 3.24Å; K208-L212 WeakPolarHBondContact O-CG 3.46Å; K208-L212 PolarHBondContact O-N 3.25Å
209	V	81.4	Confident	81.1	Confident	62 Å²	62	71.9 Å²	71.9	38%	0.376	34%	0.344	S	S	.	.	H	α-helix	trans	-58.3	-38.3	171.5	170.3	0	0	0	0	109.4	E205 L206 L212 C213	E205-V209 WeakPolarHBondContact O-CG2 3.5Å; E205-V209 PolarHBondContact O-N 2.94Å; L206-V209 PolarHBondContact O-N 3.45Å; V209-L212 PolarHBondContact O-N 2.95Å; V209-C213 WeakPolarHBondContact O-CB 3.48Å; V209-C213 PolarHBondContact O-N 3.05Å; V209-C213 PolarHBondContact O-SG 3.18Å; V209-C213 VanDerWaalsContact O-SG 3.36Å
210	H	79.2	Confident	81	Confident	47 Å²	47	76.6 Å²	76.6	22%	0.218	36%	0.361	C	S	.	.	H	α-helix	trans	-65.5	-48.8	176.8	-70.9	161	0	0	0	113.5	A144 R149 L206 E207 K208 L212 C213 D214	A144-H210 PolarHBondContact O-CE1 3.41Å; R149-H210 PolarHBondContact NH1-O 3.45Å; R149-H210 VanDerWaalsContact NH1-O 3.11Å; R149-H210 PolarHBondContact NH2-CD2 3.16Å; R149-H210 VanDerWaalsContact NH2-CG 3.3Å; R149-H210 PolarHBondContact NH2-O 3.32Å; R149-H210 VanDerWaalsContact NH2-O 3.16Å; L206-H210 WeakPolarHBondContact O-CB 3.32Å; L206-H210 PolarHBondContact O-CD2 2.79Å; L206-H210 PolarHBondContact O-N 3.4Å; L206-H210 PolarHBondContact O-ND1 3.13Å; E207-H210 WeakPolarHBondContact O-CA 3.5Å; E207-H210 WeakPolarHBondContact O-CB 3.27Å; E207-H210 PolarHBondContact O-N 2.77Å; E207-H210 VanDerWaalsContact O-N 3.16Å; K208-H210 PolarHBondContact O-N 3.5Å; H210-L212 VanDerWaalsContact C-N 3.29Å; H210-L212 PolarHBondContact O-N 3.45Å; H210-C213 CarbonylContact O-C 3.59Å; H210-C213 WeakPolarHBondContact O-CB 3.45Å; H210-C213 PolarHBondContact O-N 2.59Å; H210-C213 VanDerWaalsContact O-N 3.17Å; H210-D214 PolarHBondContact O-N 2.75Å
211	E	78.7	Confident	80.7	Confident	128 Å²	128	74.8 Å²	74.8	60%	0.598	36%	0.355	S	S	*	.	H	α-helix	trans	-58.1	-41.6	176.3	-170.2	-172.8	178.3	0	0	111.6	E207 K208 D214 N215	E207-E211 PolarHBondContact O-N 3Å; K208-E211 PolarHBondContact O-N 3.29Å; E211-D214 PolarHBondContact O-N 3.2Å; E211-N215 WeakPolarHBondContact O-CB 3.48Å; E211-N215 PolarHBondContact O-N 3.29Å
212	L	77	Confident	80.8	Confident	125 Å²	125	74.1 Å²	74.1	65%	0.654	36%	0.357	S	S	*	.	H	α-helix	trans	-63.7	-45.1	175.3	-72.3	172.2	0	0	0	112	K208 V209 H210 D214 N215 F216	K208-L212 WeakPolarHBondContact O-CB 3.24Å; K208-L212 WeakPolarHBondContact O-CG 3.46Å; K208-L212 PolarHBondContact O-N 3.25Å; V209-L212 PolarHBondContact O-N 2.95Å; H210-L212 VanDerWaalsContact C-N 3.29Å; H210-L212 PolarHBondContact O-N 3.45Å; L212-D214 VanDerWaalsContact C-N 3.32Å; L212-D214 PolarHBondContact O-N 3.41Å; L212-N215 PolarHBondContact O-N 3.4Å; L212-F216 WeakPolarHBondContact O-CB 3.33Å; L212-F216 PolarHBondContact O-N 3.05Å
213	C	78.1	Confident	80.7	Confident	58 Å²	58	73.7 Å²	73.7	39%	0.392	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-38.1	173.5	-76.2	0	0	0	0	112	V209 H210 F216 C217	V209-C213 WeakPolarHBondContact O-CB 3.48Å; V209-C213 PolarHBondContact O-N 3.05Å; V209-C213 PolarHBondContact O-SG 3.18Å; V209-C213 VanDerWaalsContact O-SG 3.36Å; H210-C213 CarbonylContact O-C 3.59Å; H210-C213 WeakPolarHBondContact O-CB 3.45Å; H210-C213 PolarHBondContact O-N 2.59Å; H210-C213 VanDerWaalsContact O-N 3.17Å; C213-F216 PolarHBondContact O-N 2.75Å; C213-C217 VanDerWaalsContact O-CB 3.31Å; C213-C217 WeakPolarHBondContact O-CB 3.43Å; C213-C217 PolarHBondContact O-N 3.37Å; C213-C217 PolarHBondContact O-SG 3.02Å
214	D	76.3	Confident	80.3	Confident	32 Å²	32	75.9 Å²	75.9	17%	0.171	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-45.8	174.6	-87.2	-37.9	0	0	0	111.3	R149 M151 H210 E211 L212 F216 C217 Q218	R149-D214 VanDerWaalsContact CD-OD1 3.31Å; R149-D214 WeakPolarHBondContact CD-OD1 3.36Å; R149-D214 IonicContact CZ-OD1 3.78Å; R149-D214 IonicContact CZ-OD2 3.47Å; R149-D214 IonicContact NE-OD1 3.07Å; R149-D214 IonicContact NE-OD2 3.12Å; R149-D214 PolarHBondContact NE-OD2 2.87Å; R149-D214 VanDerWaalsContact NH1-N 3.15Å; R149-D214 IonicContact NH1-OD1 3.39Å; R149-D214 PolarHBondContact NH1-OD1 3.42Å; R149-D214 IonicContact NH1-OD2 2.73Å; R149-D214 PolarHBondContact NH1-OD2 2.88Å; M151-D214 WeakPolarHBondContact CE-OD1 3.19Å; M151-D214 WeakPolarHBondContact CE-OD2 3.3Å; H210-D214 PolarHBondContact O-N 2.75Å; E211-D214 PolarHBondContact O-N 3.2Å; L212-D214 VanDerWaalsContact C-N 3.32Å; L212-D214 PolarHBondContact O-N 3.41Å; D214-F216 VanDerWaalsContact C-N 3.29Å; D214-F216 PolarHBondContact O-N 2.85Å; D214-C217 PolarHBondContact O-N 3.21Å; D214-Q218 VanDerWaalsContact O-CB 3.32Å; D214-Q218 WeakPolarHBondContact O-CB 3.49Å; D214-Q218 WeakPolarHBondContact O-CG 3.29Å; D214-Q218 PolarHBondContact O-N 3.11Å
215	N	79.5	Confident	79.8	Confident	64 Å²	64	78.2 Å²	78.2	34%	0.342	38%	0.379	S	S	.	.	H	α-helix	trans	-59.1	-42.6	176.1	-119.1	-85.3	0	0	0	111.5	E211 L212 R219	E211-N215 WeakPolarHBondContact O-CB 3.48Å; E211-N215 PolarHBondContact O-N 3.29Å; L212-N215 PolarHBondContact O-N 3.4Å; N215-R219 WeakPolarHBondContact O-CB 3.15Å; N215-R219 VanDerWaalsContact O-CG 3.22Å; N215-R219 WeakPolarHBondContact O-CG 3.18Å; N215-R219 PolarHBondContact O-N 3.44Å
216	F	82.7	Confident	79.5	Confident	140 Å²	140	79.3 Å²	79.3	61%	0.614	40%	0.403	S	S	*	.	H	α-helix	trans	-63.8	-50.9	176.3	-176.7	-95.1	0	0	0	111.6	L212 C213 D214 Q218 R219 Y220	L212-F216 WeakPolarHBondContact O-CB 3.33Å; L212-F216 PolarHBondContact O-N 3.05Å; C213-F216 PolarHBondContact O-N 2.75Å; D214-F216 VanDerWaalsContact C-N 3.29Å; D214-F216 PolarHBondContact O-N 2.85Å; F216-Q218 PolarHBondContact O-N 3.41Å; F216-R219 PolarHBondContact O-N 3.48Å; F216-Y220 VanDerWaalsContact O-CB 3.29Å; F216-Y220 WeakPolarHBondContact O-CB 3.4Å; F216-Y220 PolarHBondContact O-N 3.07Å
217	C	78.4	Confident	79	Confident	40 Å²	40	85.8 Å²	85.8	27%	0.27	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-48.8	177.2	-76.1	0	0	0	0	111.6	C213 D214 R219 Y220 I221	C213-C217 VanDerWaalsContact O-CB 3.31Å; C213-C217 WeakPolarHBondContact O-CB 3.43Å; C213-C217 PolarHBondContact O-N 3.37Å; C213-C217 PolarHBondContact O-SG 3.02Å; D214-C217 PolarHBondContact O-N 3.21Å; C217-R219 PolarHBondContact O-N 2.85Å; C217-Y220 PolarHBondContact O-N 3.27Å; C217-I221 HydrophobicContact CB-CD1 4.47Å; C217-I221 WeakPolarHBondContact O-CB 3.44Å; C217-I221 WeakPolarHBondContact O-CD1 3.49Å; C217-I221 WeakPolarHBondContact O-CG1 3.37Å; C217-I221 PolarHBondContact O-N 3.45Å
218	Q	79.4	Confident	77.9	Confident	103 Å²	103	85.9 Å²	85.9	48%	0.481	43%	0.431	S	S	.	.	H	α-helix	trans	-60.7	-44.5	178.1	-70.7	173.9	26.5	0	0	112.2	D214 F216 I221 N222	D214-Q218 VanDerWaalsContact O-CB 3.32Å; D214-Q218 WeakPolarHBondContact O-CB 3.49Å; D214-Q218 WeakPolarHBondContact O-CG 3.29Å; D214-Q218 PolarHBondContact O-N 3.11Å; F216-Q218 PolarHBondContact O-N 3.41Å; Q218-I221 PolarHBondContact O-N 2.82Å; Q218-N222 WeakPolarHBondContact O-CB 3.46Å; Q218-N222 PolarHBondContact O-N 3.42Å; Q218-N222 PolarHBondContact O-ND2 3.33Å
219	R	84.9	Confident	76.8	Confident	181 Å²	181	84.4 Å²	84.4	68%	0.683	43%	0.433	S	S	*	.	H	α-helix	trans	-64	-40.8	175.4	-74	176.6	-176.4	-147.5	1	111.8	N215 F216 C217 N222 C223	N215-R219 WeakPolarHBondContact O-CB 3.15Å; N215-R219 VanDerWaalsContact O-CG 3.22Å; N215-R219 WeakPolarHBondContact O-CG 3.18Å; N215-R219 PolarHBondContact O-N 3.44Å; F216-R219 PolarHBondContact O-N 3.48Å; C217-R219 PolarHBondContact O-N 2.85Å; R219-N222 PolarHBondContact O-N 2.96Å; R219-C223 VanDerWaalsContact O-CB 3.26Å; R219-C223 WeakPolarHBondContact O-CB 3.49Å; R219-C223 PolarHBondContact O-N 2.9Å
220	Y	83	Confident	75.6	Confident	114 Å²	114	87.2 Å²	87.2	45%	0.447	45%	0.45	S	S	.	.	H	α-helix	trans	-64.8	-47.8	176.6	-177.6	-112.6	0	0	0	111.5	F216 C217 N222 C223 L224	F216-Y220 VanDerWaalsContact O-CB 3.29Å; F216-Y220 WeakPolarHBondContact O-CB 3.4Å; F216-Y220 PolarHBondContact O-N 3.07Å; C217-Y220 PolarHBondContact O-N 3.27Å; Y220-N222 VanDerWaalsContact C-N 3.34Å; Y220-N222 PolarHBondContact O-N 3.35Å; Y220-C223 CarbonylContact O-C 3.57Å; Y220-C223 WeakPolarHBondContact O-CB 3.21Å; Y220-C223 PolarHBondContact O-N 3.19Å; Y220-L224 HydrophobicContact CD1-CD1 3.9Å; Y220-L224 HydrophobicContact CD1-CG 4.43Å; Y220-L224 HydrophobicContact CE1-CD1 3.47Å; Y220-L224 VanDerWaalsContact CE1-CD1 3.47Å; Y220-L224 HydrophobicContact CE1-CG 4.12Å; Y220-L224 HydrophobicContact CE2-CD2 4.5Å; Y220-L224 HydrophobicContact CE2-CG 4.39Å; Y220-L224 WeakPolarHBondContact O-CG 3.29Å; Y220-L224 PolarHBondContact O-N 2.87Å
221	I	79.5	Confident	74.1	Confident	14 Å²	14	91.1 Å²	91.1	7%	0.072	47%	0.473	C	S	.	.	H	α-helix	trans	-59.5	-42.6	175.5	-69	160.7	0	0	0	111	C217 Q218 L224 K225 L574	C217-I221 HydrophobicContact CB-CD1 4.47Å; C217-I221 WeakPolarHBondContact O-CB 3.44Å; C217-I221 WeakPolarHBondContact O-CD1 3.49Å; C217-I221 WeakPolarHBondContact O-CG1 3.37Å; C217-I221 PolarHBondContact O-N 3.45Å; Q218-I221 PolarHBondContact O-N 2.82Å; I221-L224 PolarHBondContact O-N 3.45Å; I221-K225 HydrophobicContact CG2-CD 4.06Å; I221-K225 HydrophobicContact CG2-CG 4.48Å; I221-K225 WeakPolarHBondContact O-CB 3.28Å; I221-K225 VanDerWaalsContact O-CG 3.3Å; I221-K225 WeakPolarHBondContact O-CG 3.19Å; I221-K225 PolarHBondContact O-N 2.87Å; I221-L574 VanDerWaalsContact CD1-O 3.22Å; I221-L574 WeakPolarHBondContact CD1-O 3.27Å; I221-L574 VanDerWaalsContact CG1-O 3.3Å; I221-L574 WeakPolarHBondContact CG1-O 3.37Å; I221-L574 HydrophobicContact CG2-CD2 4.14Å; I221-L574 VanDerWaalsContact CG2-O 3.25Å; I221-L574 WeakPolarHBondContact CG2-O 3.47Å
222	N	82	Confident	72.6	Confident	97 Å²	97	89.6 Å²	89.6	52%	0.519	47%	0.468	S	S	.	.	H	α-helix	trans	-67.9	-37.1	176.8	-71.6	-19.3	0	0	0	112.1	Q218 R219 Y220 K225 G226	Q218-N222 WeakPolarHBondContact O-CB 3.46Å; Q218-N222 PolarHBondContact O-N 3.42Å; Q218-N222 PolarHBondContact O-ND2 3.33Å; R219-N222 PolarHBondContact O-N 2.96Å; Y220-N222 VanDerWaalsContact C-N 3.34Å; Y220-N222 PolarHBondContact O-N 3.35Å; N222-K225 PolarHBondContact O-N 2.69Å; N222-G226 PolarHBondContact O-N 3.23Å
223	C	82.2	Confident	71.1	Confident	54 Å²	54	89.3 Å²	89.3	37%	0.365	47%	0.471	S	S	.	.	H	α-helix	trans	-64.9	-40.8	172.7	-173.1	0	0	0	0	111.9	R219 Y220 K227	R219-C223 VanDerWaalsContact O-CB 3.26Å; R219-C223 WeakPolarHBondContact O-CB 3.49Å; R219-C223 PolarHBondContact O-N 2.9Å; Y220-C223 CarbonylContact O-C 3.57Å; Y220-C223 WeakPolarHBondContact O-CB 3.21Å; Y220-C223 PolarHBondContact O-N 3.19Å; C223-K227 WeakPolarHBondContact O-CB 3.37Å; C223-K227 WeakPolarHBondContact O-CG 3.41Å; C223-K227 PolarHBondContact O-N 3.03Å; C223-K227 VanDerWaalsContact O-N 3.09Å; C223-K227 VanDerWaalsContact SG-CE 3.59Å; C223-K227 PolarHBondContact SG-NZ 2.78Å
224	L	77.7	Confident	69.5	Low	46 Å²	46	89.8 Å²	89.8	24%	0.241	48%	0.48	C	S	.	.	H	α-helix	trans	-62.9	-52	172.6	-73.6	177.9	0	0	0	111	Y220 I221 G226 K227 M228	Y220-L224 HydrophobicContact CD1-CD1 3.9Å; Y220-L224 HydrophobicContact CD1-CG 4.43Å; Y220-L224 HydrophobicContact CE1-CD1 3.47Å; Y220-L224 VanDerWaalsContact CE1-CD1 3.47Å; Y220-L224 HydrophobicContact CE1-CG 4.12Å; Y220-L224 HydrophobicContact CE2-CD2 4.5Å; Y220-L224 HydrophobicContact CE2-CG 4.39Å; Y220-L224 WeakPolarHBondContact O-CG 3.29Å; Y220-L224 PolarHBondContact O-N 2.87Å; I221-L224 PolarHBondContact O-N 3.45Å; L224-G226 VanDerWaalsContact C-N 3.26Å; L224-G226 PolarHBondContact O-N 3.17Å; L224-K227 PolarHBondContact O-N 3.2Å; L224-K227 VanDerWaalsContact O-N 3.1Å; L224-M228 WeakPolarHBondContact O-CB 3.14Å; L224-M228 WeakPolarHBondContact O-CG 3.45Å; L224-M228 PolarHBondContact O-N 3.27Å
225	K	73.9	Confident	67.9	Low	108 Å²	108	95.7 Å²	95.7	47%	0.47	51%	0.506	S	S	.	.	H	α-helix	trans	-53.9	-41.1	176.9	-75.5	170.3	178.3	172.3	0	112.4	I221 N222 L574	I221-K225 HydrophobicContact CG2-CD 4.06Å; I221-K225 HydrophobicContact CG2-CG 4.48Å; I221-K225 WeakPolarHBondContact O-CB 3.28Å; I221-K225 VanDerWaalsContact O-CG 3.3Å; I221-K225 WeakPolarHBondContact O-CG 3.19Å; I221-K225 PolarHBondContact O-N 2.87Å; N222-K225 PolarHBondContact O-N 2.69Å; K225-L574 HydrophobicContact CG-CD1 4.3Å; K225-L574 HydrophobicContact CG-CD2 4Å
226	G	75.2	Confident	66.4	Low	70 Å²	70	101.3 Å²	101.3	72%	0.722	53%	0.531	S	S	*	.	H	α-helix	trans	-78.3	-18.7	179.3	0	0	0	0	0	115.7	N222 L224	N222-G226 PolarHBondContact O-N 3.23Å; L224-G226 VanDerWaalsContact C-N 3.26Å; L224-G226 PolarHBondContact O-N 3.17Å
227	K	69	Low	64.5	Low	163 Å²	163	106.2 Å²	106.2	71%	0.709	55%	0.545	S	S	*	.	H	α-helix	trans	-104.9	-13.7	178.7	-70.2	175.7	-179.6	170.6	0	113.8	C223 L224	C223-K227 WeakPolarHBondContact O-CB 3.37Å; C223-K227 WeakPolarHBondContact O-CG 3.41Å; C223-K227 PolarHBondContact O-N 3.03Å; C223-K227 VanDerWaalsContact O-N 3.09Å; C223-K227 VanDerWaalsContact SG-CE 3.59Å; C223-K227 PolarHBondContact SG-NZ 2.78Å; L224-K227 PolarHBondContact O-N 3.2Å; L224-K227 VanDerWaalsContact O-N 3.1Å
228	M	58	Low	62.7	Low	46 Å²	46	108.6 Å²	108.6	23%	0.227	57%	0.567	C	S	.	*	S	Bend	trans	-67.4	125.4	172.8	-81.8	-77.1	-77.7	0	0	109.6	L224 T230 R567 F571	L224-M228 WeakPolarHBondContact O-CB 3.14Å; L224-M228 WeakPolarHBondContact O-CG 3.45Å; L224-M228 PolarHBondContact O-N 3.27Å; M228-T230 PolarHBondContact O-N 3.07Å; M228-T230 VanDerWaalsContact O-N 3.15Å; M228-R567 HydrophobicContact CE-CG 4.43Å; M228-F571 HydrophobicContact CE-CD2 4.22Å; M228-F571 HydrophobicContact CE-CE1 4.25Å; M228-F571 HydrophobicContact CE-CE2 3.36Å; M228-F571 HydrophobicContact CE-CZ 3.38Å
229	P	56.5	Low	61	Low	81 Å²	81	106.8 Å²	106.8	53%	0.526	58%	0.576	S	S	.	*			trans	-61.6	117.7	177.5	-22.8	33.5	0	0	0	111.3	D231	P229-D231 PolarHBondContact O-N 3.23Å
230	T	57.5	Low	58.8	Low	120 Å²	120	103.6 Å²	103.6	74%	0.736	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-64.1	-18.7	176.3	-28.9	0	0	0	0	112.7	M228 L232 V233	M228-T230 PolarHBondContact O-N 3.07Å; M228-T230 VanDerWaalsContact O-N 3.15Å; T230-L232 PolarHBondContact O-N 2.93Å; T230-V233 PolarHBondContact O-N 3.48Å; T230-V233 VanDerWaalsContact O-N 3.14Å
231	D	46.1	Very low	56.7	Low	130 Å²	130	103.2 Å²	103.2	70%	0.695	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-58.4	-15.4	-175.1	-94	-46	0	0	0	115.8	P229	P229-D231 PolarHBondContact O-N 3.23Å
232	L	47.4	Very low	54.8	Low	95 Å²	95	107.4 Å²	107.4	50%	0.497	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-94.6	-0.5	179.4	-71.7	169.1	0	0	0	114.5	T230	T230-L232 PolarHBondContact O-N 2.93Å
233	V	46.7	Very low	52.8	Low	119 Å²	119	107.8 Å²	107.8	72%	0.721	64%	0.643	S	S	*	*	S	Bend	trans	-97.7	-4.4	174.6	-173.4	0	0	0	0	111.7	T230	T230-V233 PolarHBondContact O-N 3.48Å; T230-V233 VanDerWaalsContact O-N 3.14Å
234	A	43.5	Very low	50.7	Low	69 Å²	69	110.8 Å²	110.8	57%	0.57	66%	0.664	S	S	*	*	S	Bend	trans	-108.2	-19.7	-174.9	0	0	0	0	0	115.6	E236	A234-E236 PolarHBondContact O-N 2.92Å
235	E	43.6	Very low	49	Very low	156 Å²	156	113.7 Å²	113.7	73%	0.729	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-79.7	-4.6	-167.8	-78.5	-154.1	103.9	0	0	116.8
236	E	48	Very low	47.5	Very low	182 Å²	182	113.1 Å²	113.1	85%	0.85	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-78	-18.4	176	-155.3	179.6	120.3	0	0	113.3	A234	A234-E236 PolarHBondContact O-N 2.92Å
237	R	42.7	Very low	45.7	Very low	243 Å²	243	117.8 Å²	117.8	92%	0.917	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-96.5	8.3	-171.7	-158.6	150.5	-176.8	81.2	1.9	115.9
238	A	40.7	Very low	44.4	Very low	89 Å²	89	115.1 Å²	115.1	74%	0.736	71%	0.71	S	S	*	*	S	Bend	trans	-117.9	-12	177.3	0	0	0	0	0	115.1
239	G	42.4	Very low	43.3	Very low	65 Å²	65	121.5 Å²	121.5	67%	0.67	74%	0.739	S	S	*	*	S	Bend	trans	-88.7	-20.4	-176.1	0	0	0	0	0	116	S241	G239-S241 PolarHBondContact O-N 3.44Å
240	S	38.3	Very low	42.5	Very low	114 Å²	114	124 Å²	124	80%	0.797	75%	0.747	S	S	*	*	S	Bend	trans	-100.4	50.3	-164.4	-58.5	0	0	0	0	114.2
241	S	40.7	Very low	41.8	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	76%	0.755	S	S	*	*	S	Bend	trans	-155	50.3	174	65.3	0	0	0	0	114.3	G239	G239-S241 PolarHBondContact O-N 3.44Å
242	A	38.9	Very low	41.4	Very low	101 Å²	101	122.7 Å²	122.7	84%	0.835	76%	0.758	S	S	*	*			trans	-146.2	38.3	172.3	0	0	0	0	0	113.3
243	S	40.5	Very low	41	Very low	106 Å²	106	122.3 Å²	122.3	74%	0.741	78%	0.778	S	S	*	*			trans	-85.2	116.2	170.2	55.3	0	0	0	0	111.3
244	S	36.9	Very low	40.6	Very low	116 Å²	116	120.2 Å²	120.2	81%	0.811	78%	0.78	S	S	*	*			trans	47.2	101.1	146.5	58.6	0	0	0	0	119.2
245	A	42.5	Very low	40.8	Very low	108 Å²	108	123.7 Å²	123.7	89%	0.893	80%	0.797	S	S	*	*			trans	-147.5	129.5	147.6	0	0	0	0	0	109.7
246	S	41.8	Very low	40.8	Very low	96 Å²	96	120.2 Å²	120.2	67%	0.671	80%	0.803	S	S	*	*			trans	-91.2	169.4	179.4	54	0	0	0	0	112.5
247	E	38.5	Very low	40.5	Very low	167 Å²	167	115.3 Å²	115.3	78%	0.78	80%	0.802	S	S	*	*			trans	71.7	103.9	155.1	-72.4	156.9	106.6	0	0	120.1
248	S	40.6	Very low	40.4	Very low	108 Å²	108	107.5 Å²	107.5	76%	0.755	80%	0.796	S	S	*	*				30.6	124.8	128.5	59.9	0	0	0	0	120.5
249	H	36.3	Very low	40.6	Very low	180 Å²	180	108.4 Å²	108.4	83%	0.833	80%	0.804	S	S	*	*				-176.9	173.2	100.4	-169.3	-141.9	0	0	0	110.7
250	L	39.3	Very low	40.8	Very low	133 Å²	133	111.7 Å²	111.7	70%	0.696	82%	0.816	S	S	*	*			trans	-99.2	166.4	-164.1	-67.8	159.4	0	0	0	113.8
251	T	41.4	Very low	41.2	Very low	147 Å²	147	110.7 Å²	110.7	90%	0.902	82%	0.815	S	S	*	*			trans	73.4	144.2	165.5	78.6	0	0	0	0	116.5
252	G	38.5	Very low	41.1	Very low	75 Å²	75	109.6 Å²	109.6	77%	0.773	82%	0.821	S	S	*	*			cis	174.1	151.3	-8.5	0	0	0	0	0	112.5
253	G	40.2	Very low	41	Very low	88 Å²	88	108.7 Å²	108.7	91%	0.907	82%	0.821	S	S	*	*			trans	77.7	149.3	176.9	0	0	0	0	0	115.1
254	G	37.9	Very low	40.7	Very low	75 Å²	75	107.1 Å²	107.1	77%	0.773	82%	0.822	S	S	*	*			cis	-171.3	156.7	-6.3	0	0	0	0	0	109.6
255	P	47.6	Very low	40.7	Very low	142 Å²	142	107.6 Å²	107.6	92%	0.922	83%	0.825	S	S	*	*			trans	-105.9	157.6	-159	38.9	-35.1	0	0	0	116.8
256	G	42.7	Very low	40.7	Very low	83 Å²	83	108.8 Å²	108.8	86%	0.856	83%	0.827	S	S	*	*			trans	166.9	143	162.9	0	0	0	0	0	111
257	G	41.6	Very low	40.5	Very low	79 Å²	79	108.9 Å²	108.9	81%	0.814	83%	0.827	S	S	*	*			cis	178.3	160.6	-5.9	0	0	0	0	0	110.6
258	G	40.4	Very low	40.5	Very low	78 Å²	78	108.9 Å²	108.9	80%	0.804	83%	0.833	S	S	*	*			trans	83.7	107.5	178.9	0	0	0	0	0	113.5
259	A	46.4	Very low	40.3	Very low	108 Å²	108	107 Å²	107	89%	0.893	83%	0.83	S	S	*	*			cis	73	95.4	47.7	0	0	0	0	0	114.8
260	S	45.7	Very low	40.2	Very low	134 Å²	134	105.3 Å²	105.3	94%	0.937	83%	0.833	S	S	*	*				-170.1	161.7	108.7	-160.5	0	0	0	0	111.2
261	A	47.6	Very low	40.1	Very low	94 Å²	94	104.2 Å²	104.2	78%	0.777	84%	0.837	S	S	*	*			trans	-114.1	156	-166	0	0	0	0	0	114.2
262	G	38.1	Very low	40	Very low	84 Å²	84	102.8 Å²	102.8	87%	0.866	83%	0.832	S	S	*	*			trans	74.7	146.4	161.5	0	0	0	0	0	116.1
263	G	36.4	Very low	40	Very low	82 Å²	82	107.4 Å²	107.4	85%	0.845	84%	0.836	S	S	*	*			cis	147.5	122	-3.6	0	0	0	0	0	111.6
264	G	33.6	Very low	39.8	Very low	73 Å²	73	107.8 Å²	107.8	75%	0.753	83%	0.83	S	S	*	*			trans	104.2	129.8	161.6	0	0	0	0	0	117.7
265	S	38	Very low	39.7	Very low	125 Å²	125	110.8 Å²	110.8	87%	0.874	83%	0.834	S	S	*	*			trans	76.2	86.4	149	-53.3	0	0	0	0	119.6
266	S	41.7	Very low	38.7	Very low	134 Å²	134	111.4 Å²	111.4	94%	0.937	83%	0.829	S	S	*	*			trans	-102	117.6	150.4	-65.4	0	0	0	0	110.1
267	S	38.6	Very low	38.4	Very low	97 Å²	97	113.5 Å²	113.5	68%	0.678	83%	0.83	S	S	*	*			trans	-113.3	153.5	161.7	56.1	0	0	0	0	109.5
268	N	38.3	Very low	38	Very low	167 Å²	167	115.3 Å²	115.3	89%	0.893	83%	0.825	S	S	*	*			trans	85.2	139.5	177.4	-46.2	-21.8	0	0	0	115.3
269	G	35	Very low	37.8	Very low	68 Å²	68	119.1 Å²	119.1	70%	0.701	83%	0.825	S	S	*	*			trans	145.5	80.6	169.6	0	0	0	0	0	114.5
270	T	35	Very low	37.1	Very low	146 Å²	146	117.1 Å²	117.1	90%	0.896	82%	0.816	S	S	*	*			trans	-52.6	131.8	159.5	36.9	0	0	0	0	111.8
271	S	38.3	Very low	36.7	Very low	110 Å²	110	118.7 Å²	118.7	77%	0.769	81%	0.812	S	S	*	*			trans	-136.1	103.5	168.9	-68.1	0	0	0	0	110.6
272	S	38	Very low	36.1	Very low	116 Å²	116	120.9 Å²	120.9	81%	0.811	81%	0.811	S	S	*	*			trans	-68.6	140.8	166.6	-56.7	0	0	0	0	110.3
273	M	38.2	Very low	36.1	Very low	172 Å²	172	122.2 Å²	122.2	85%	0.847	80%	0.804	S	S	*	*			trans	-123.3	90	168.7	-70	-71.8	-81.1	0	0	108.7
274	A	35.8	Very low	36.1	Very low	96 Å²	96	126.2 Å²	126.2	79%	0.793	80%	0.801	S	S	*	*			trans	-96.7	122.3	166	0	0	0	0	0	108.3
275	V	36.4	Very low	36.3	Very low	139 Å²	139	128.4 Å²	128.4	84%	0.842	80%	0.802	S	S	*	*			trans	-105	128	175.2	-79.5	0	0	0	0	110.4
276	L	27.3	Very low	36.5	Very low	155 Å²	155	126.3 Å²	126.3	81%	0.812	80%	0.8	S	S	*	*			trans	-75.8	153.9	-174.5	-72.6	140.5	0	0	0	113
277	S	35.3	Very low	36.3	Very low	126 Å²	126	125.4 Å²	125.4	88%	0.881	80%	0.8	S	S	*	*			trans	-151.4	116.1	134.5	-81.6	0	0	0	0	112
278	T	34	Very low	36.4	Very low	118 Å²	118	124.5 Å²	124.5	72%	0.724	81%	0.806	S	S	*	*			trans	-55	151	177	-49.8	0	0	0	0	112.6
279	I	35.7	Very low	36.4	Very low	157 Å²	157	123.7 Å²	123.7	81%	0.805	81%	0.807	S	S	*	*				-163.9	124.6	83.8	-74.7	149.5	0	0	0	107.6
280	G	31.9	Very low	36.5	Very low	67 Å²	67	124.3 Å²	124.3	69%	0.691	81%	0.814	S	S	*	*				84.4	136.1	93.5	0	0	0	0	0	111.6
281	I	36.9	Very low	36.5	Very low	167 Å²	167	120.8 Å²	120.8	86%	0.856	81%	0.807	S	S	*	*			cis	-151	151.4	26.4	-58.5	174.7	0	0	0	109.3
282	N	34.6	Very low	36.6	Very low	140 Å²	140	119.9 Å²	119.9	75%	0.749	81%	0.806	S	S	*	*			trans	-122.6	152	167.2	-167.4	-89.2	0	0	0	108.6	Q284	N282-Q284 PolarHBondContact OD1-N 3.3Å; N282-Q284 VanDerWaalsContact OD1-N 3.11Å
283	P	39.4	Very low	36.7	Very low	111 Å²	111	122.8 Å²	122.8	72%	0.721	81%	0.807	S	S	*	*				-149.7	138.8	117.1	34.5	-16.6	0	0	0	117.3
284	Q	35.8	Very low	36.8	Very low	167 Å²	167	120.4 Å²	120.4	78%	0.78	81%	0.807	S	S	*	*			trans	69.8	123.9	136.4	-78.4	-95.6	-92.4	0	0	122	N282	N282-Q284 PolarHBondContact OD1-N 3.3Å; N282-Q284 VanDerWaalsContact OD1-N 3.11Å
285	P	39	Very low	37	Very low	119 Å²	119	119 Å²	119	77%	0.773	80%	0.802	S	S	*	*			trans	-95.6	146.5	155	36.1	-29.5	0	0	0	112.4
286	G	41.2	Very low	37.3	Very low	81 Å²	81	119 Å²	119	84%	0.835	81%	0.808	S	S	*	*			trans	-118.4	140	174.2	0	0	0	0	0	112.2
287	A	38.3	Very low	37.7	Very low	114 Å²	114	115.4 Å²	115.4	94%	0.942	81%	0.808	S	S	*	*			trans	-82.5	149.3	-173.3	0	0	0	0	0	114
288	G	40.3	Very low	38	Very low	78 Å²	78	114.2 Å²	114.2	80%	0.804	81%	0.807	S	S	*	*			trans	-157.4	130.3	173.4	0	0	0	0	0	111.9
289	T	39	Very low	38.2	Very low	150 Å²	150	113.5 Å²	113.5	92%	0.92	81%	0.806	S	S	*	*			trans	-100.6	148.1	-164.6	51.1	0	0	0	0	115.1
290	G	36.3	Very low	38.2	Very low	81 Å²	81	111.9 Å²	111.9	84%	0.835	80%	0.804	S	S	*	*			trans	127.9	133.7	136.4	0	0	0	0	0	119.9
291	G	34.6	Very low	38.5	Very low	73 Å²	73	115.3 Å²	115.3	75%	0.753	81%	0.811	S	S	*	*			trans	94.6	111.6	161.3	0	0	0	0	0	115.8
292	A	39.8	Very low	38.2	Very low	91 Å²	91	112.3 Å²	112.3	75%	0.752	81%	0.811	S	S	*	*				69.4	124.1	73.1	0	0	0	0	0	112.4
293	Q	40.8	Very low	38.4	Very low	177 Å²	177	109.5 Å²	109.5	83%	0.827	82%	0.815	S	S	*	*			cis	-162.7	159.3	23.4	-105.7	158.1	83.7	0	0	111.8
294	S	39.9	Very low	38	Very low	121 Å²	121	111.9 Å²	111.9	85%	0.846	82%	0.822	S	S	*	*			trans	55.4	137.4	153	-58.3	0	0	0	0	121.5
295	G	40.6	Very low	38.1	Very low	68 Å²	68	108.4 Å²	108.4	70%	0.701	82%	0.822	S	S	*	*			cis	169.4	160.1	-6.6	0	0	0	0	0	113.7
296	S	41.6	Very low	37.9	Very low	138 Å²	138	107.8 Å²	107.8	97%	0.965	82%	0.82	S	S	*	*			trans	62.7	132.7	163	-50.9	0	0	0	0	119.4
297	G	36.8	Very low	37.5	Very low	79 Å²	79	109.6 Å²	109.6	81%	0.814	82%	0.82	S	S	*	*			cis	158.9	126.2	-8.7	0	0	0	0	0	113.4
298	A	40.7	Very low	37.4	Very low	102 Å²	102	112.3 Å²	112.3	84%	0.843	82%	0.817	S	S	*	*			trans	174	90	161.4	0	0	0	0	0	108.1
299	S	39.6	Very low	37	Very low	102 Å²	102	114.9 Å²	114.9	71%	0.713	82%	0.821	S	S	*	*				91.4	108.7	75	-166.5	0	0	0	0	114.4
300	T	35.4	Very low	36.8	Very low	123 Å²	123	111.2 Å²	111.2	76%	0.755	81%	0.813	S	S	*	*			trans	61	134.9	149.1	46.4	0	0	0	0	119.4
301	V	37.8	Very low	36.5	Very low	140 Å²	140	110.9 Å²	110.9	85%	0.848	81%	0.809	S	S	*	*			cis	-146.4	146.7	12.5	-114	0	0	0	0	110.1
302	A	31.7	Very low	36.4	Very low	104 Å²	104	114.8 Å²	114.8	86%	0.86	81%	0.812	S	S	*	*			trans	-105.5	155.2	170.8	0	0	0	0	0	110.9
303	G	37.7	Very low	36.2	Very low	81 Å²	81	118.6 Å²	118.6	84%	0.835	82%	0.815	S	S	*	*			trans	-162.4	73	179.9	0	0	0	0	0	111.2
304	D	31.2	Very low	35.5	Very low	160 Å²	160	116 Å²	116	86%	0.856	81%	0.811	S	S	*	*			trans	-92.9	127.2	178	-156	-23.4	0	0	0	109.4
305	A	37	Very low	35.7	Very low	94 Å²	94	116.5 Å²	116.5	78%	0.777	81%	0.812	S	S	*	*			trans	-157.9	130.6	173.6	0	0	0	0	0	111.4
306	S	35.3	Very low	35.6	Very low	106 Å²	106	118.8 Å²	118.8	74%	0.741	81%	0.812	S	S	*	*			trans	-88.7	152.4	-165.7	-42.7	0	0	0	0	114.9
307	S	32.9	Very low	35.2	Very low	120 Å²	120	118.6 Å²	118.6	84%	0.839	81%	0.805	S	S	*	*			trans	35.7	102.7	138.8	-166.1	0	0	0	0	118.9
308	I	37.4	Very low	35.5	Very low	171 Å²	171	120.2 Å²	120.2	88%	0.877	80%	0.801	S	S	*	*			trans	-136.6	130.7	151.1	-48.3	178.8	0	0	0	109.3
309	C	31	Very low	35.4	Very low	132 Å²	132	122.3 Å²	122.3	89%	0.892	80%	0.803	S	S	*	*			trans	-79.7	142.5	176.2	-179.5	0	0	0	0	111.4
310	G	34.3	Very low	35.2	Very low	73 Å²	73	123 Å²	123	75%	0.753	81%	0.808	S	S	*	*			trans	172.8	110.8	171.7	0	0	0	0	0	112.5
311	G	29.5	Very low	35.4	Very low	73 Å²	73	121 Å²	121	75%	0.753	81%	0.811	S	S	*	*			trans	-87	-157.9	171	0	0	0	0	0	112.9
312	L	33.6	Very low	35.2	Very low	155 Å²	155	119.9 Å²	119.9	81%	0.812	81%	0.81	S	S	*	*			trans	87.1	121.9	175.4	-93.3	53.7	0	0	0	118.5
313	Q	34.9	Very low	35.5	Very low	172 Å²	172	122 Å²	122	80%	0.804	81%	0.812	S	S	*	*			trans	88.1	111.2	140.3	-68.8	173.7	62.4	0	0	120.7
314	T	27.5	Very low	35.2	Very low	123 Å²	123	127.3 Å²	127.3	76%	0.755	82%	0.815	S	S	*	*			trans	-58.8	150	154.8	50.4	0	0	0	0	113.4
315	P	43.1	Very low	35.3	Very low	131 Å²	131	125.2 Å²	125.2	85%	0.851	81%	0.813	S	S	*	*			trans	-109	123.1	155.9	33.4	-23.9	0	0	0	112.3
316	T	38.9	Very low	35.3	Very low	116 Å²	116	124.9 Å²	124.9	71%	0.712	81%	0.81	S	S	*	*			trans	-101.8	117.9	169.5	46.3	0	0	0	0	111.4
317	T	33.5	Very low	35.2	Very low	133 Å²	133	129.8 Å²	129.8	82%	0.816	82%	0.818	S	S	*	*			trans	53.5	-175.5	149.8	65.7	0	0	0	0	116.9
318	P	41.6	Very low	35	Very low	114 Å²	114	128.6 Å²	128.6	74%	0.74	81%	0.81	S	S	*	*			cis	-127.1	175.5	-14.9	41.6	-27.1	0	0	0	114.4
319	V	40.3	Very low	34.9	Very low	146 Å²	146	128.5 Å²	128.5	89%	0.885	81%	0.805	S	S	*	*				175.2	148.9	127.4	64.9	0	0	0	0	111.9
320	S	35.6	Very low	35.3	Very low	117 Å²	117	130.3 Å²	130.3	82%	0.818	81%	0.805	S	S	*	*			trans	-72.9	154.4	-169.9	-50.1	0	0	0	0	116.7
321	G	38.4	Very low	35.3	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	80%	0.801	S	S	*	*			trans	-159.1	102.6	160	0	0	0	0	0	111.6
322	S	33.4	Very low	35.4	Very low	118 Å²	118	136.4 Å²	136.4	83%	0.825	80%	0.803	S	S	*	*			trans	-86.4	132.2	179.4	-63.5	0	0	0	0	112.6
323	V	39.1	Very low	35.6	Very low	148 Å²	148	133.7 Å²	133.7	90%	0.897	80%	0.803	S	S	*	*			trans	-139.1	128.4	151	-80.4	0	0	0	0	109.2
324	Q	30.7	Very low	35.6	Very low	193 Å²	193	129.3 Å²	129.3	90%	0.902	81%	0.805	S	S	*	*			trans	-102	144.4	174.2	-61.5	172.4	6.3	0	0	109
325	S	34.1	Very low	35.7	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	81%	0.809	S	S	*	*			trans	-175.5	120.5	137	-168.8	0	0	0	0	113.1
326	A	35.2	Very low	35.4	Very low	86 Å²	86	131.1 Å²	131.1	71%	0.711	81%	0.811	S	S	*	*			trans	31.5	115.3	147.4	0	0	0	0	0	121.7
327	F	33.2	Very low	35.1	Very low	209 Å²	209	131 Å²	131	92%	0.917	82%	0.815	S	S	*	*				-144	131.5	114.5	-126.7	-88.6	0	0	0	109.8
328	S	30	Very low	35.5	Very low	96 Å²	96	130 Å²	130	67%	0.671	81%	0.811	S	S	*	*			trans	-160.6	162.8	-179.8	-74.1	0	0	0	0	109.7
329	H	35.4	Very low	35.2	Very low	168 Å²	168	130 Å²	130	78%	0.778	81%	0.814	S	S	*	*			trans	80.8	100.6	-177.7	-56.8	-83.9	0	0	0	116.7
330	L	39	Very low	35.1	Very low	170 Å²	170	129 Å²	129	89%	0.89	81%	0.808	S	S	*	*				-149.5	104.9	112.5	-101.4	163	0	0	0	110
331	N	35.2	Very low	35.2	Very low	124 Å²	124	132 Å²	132	66%	0.663	81%	0.811	S	S	*	*			trans	-1.9	132.2	153.7	-65.7	-20.5	0	0	0	118.5
332	N	31.7	Very low	34.9	Very low	150 Å²	150	131.6 Å²	131.6	80%	0.802	81%	0.807	S	S	*	*				72.6	101.7	57.2	-179.1	37.3	0	0	0	115.3
333	A	37.2	Very low	35	Very low	98 Å²	98	133 Å²	133	81%	0.81	81%	0.81	S	S	*	*				179.2	144.5	128.3	0	0	0	0	0	110.2
334	G	34	Very low	34.4	Very low	81 Å²	81	131.5 Å²	131.5	84%	0.835	81%	0.805	S	S	*	*			trans	134.8	40.2	164.8	0	0	0	0	0	118.9
335	S	30.5	Very low	35.2	Very low	119 Å²	119	128.7 Å²	128.7	83%	0.832	80%	0.803	S	S	*	*			trans	-73.5	135.8	161.1	173.2	0	0	0	0	110.2
336	L	37.3	Very low	35.3	Very low	172 Å²	172	128.4 Å²	128.4	90%	0.901	80%	0.802	S	S	*	*			trans	-163.6	148.2	141.5	-100.3	179.6	0	0	0	110.6
337	S	32.3	Very low	35.2	Very low	113 Å²	113	130.2 Å²	130.2	79%	0.79	81%	0.809	S	S	*	*			trans	-106.4	176.5	-170.9	-119.7	0	0	0	0	112.6
338	P	41.6	Very low	35.5	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	81%	0.807	S	S	*	*			trans	-92.3	162.5	-146.5	37.2	-39.9	0	0	0	115.8
339	S	35.4	Very low	35.5	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	81%	0.814	S	S	*	*			trans	-172.9	143.8	145.9	-87.9	0	0	0	0	114.3
340	T	37.4	Very low	35.5	Very low	124 Å²	124	123.3 Å²	123.3	76%	0.761	81%	0.811	S	S	*	*			trans	82.1	117.1	139.3	-67.4	0	0	0	0	121.6
341	M	37.5	Very low	35.3	Very low	180 Å²	180	121.3 Å²	121.3	89%	0.887	81%	0.806	S	S	*	*			trans	63.1	127.8	163.5	-49.2	-132.2	-76.3	0	0	117.7
342	G	32.3	Very low	35.4	Very low	70 Å²	70	125.1 Å²	125.1	72%	0.722	81%	0.813	S	S	*	*			cis	114.7	102.6	-0.9	0	0	0	0	0	113.4
343	V	35.5	Very low	35.6	Very low	149 Å²	149	125.6 Å²	125.6	90%	0.903	82%	0.815	S	S	*	*			trans	-163.6	128.8	150.9	-96.3	0	0	0	0	109.7
344	C	28.1	Very low	35.5	Very low	116 Å²	116	124 Å²	124	78%	0.784	81%	0.808	S	S	*	*			trans	-105.6	157.2	161.7	-49.7	0	0	0	0	108.3
345	P	47.4	Very low	35.5	Very low	133 Å²	133	132.1 Å²	132.1	86%	0.864	81%	0.814	S	S	*	*			trans	-103	118.1	152.4	32	-22.8	0	0	0	109.9
346	S	34.7	Very low	35.9	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	81%	0.807	S	S	*	*			trans	-118.8	156.8	163.8	-62.8	0	0	0	0	109.2
347	S	34.2	Very low	36	Very low	124 Å²	124	128.5 Å²	128.5	87%	0.867	80%	0.798	S	S	*	*			trans	-46.2	138.1	-171	-50.1	0	0	0	0	115.6
348	V	38.6	Very low	36.4	Very low	145 Å²	145	129.5 Å²	129.5	88%	0.879	80%	0.8	S	S	*	*			trans	-127.5	116.9	150.9	-78.7	0	0	0	0	108.7
349	G	30	Very low	36.3	Very low	79 Å²	79	128.1 Å²	128.1	81%	0.814	81%	0.806	S	S	*	*			trans	-95.5	145.2	161.2	0	0	0	0	0	109.1
350	S	36.1	Very low	36.4	Very low	103 Å²	103	126 Å²	126	72%	0.72	80%	0.803	S	S	*	*			trans	-150.9	140.5	159.2	-163.4	0	0	0	0	110.8
351	V	35.6	Very low	36.6	Very low	128 Å²	128	125.6 Å²	125.6	78%	0.776	81%	0.805	S	S	*	*			trans	-92.7	135.4	-176.9	165.8	0	0	0	0	109.9
352	Y	35.7	Very low	36.7	Very low	205 Å²	205	122.4 Å²	122.4	80%	0.804	80%	0.8	S	S	*	*			trans	-155.7	143	145.7	21.3	-102.4	0	0	0	113.2
353	D	35.6	Very low	37.1	Very low	160 Å²	160	123.9 Å²	123.9	86%	0.856	80%	0.799	S	S	*	*			trans	-50.5	153.9	-172.5	-70.6	-109.2	0	0	0	119.9
354	G	35.3	Very low	37.3	Very low	65 Å²	65	121.7 Å²	121.7	67%	0.67	79%	0.791	S	S	*	*				133.8	114.2	103.2	0	0	0	0	0	120.1
355	R	35.6	Very low	37.9	Very low	250 Å²	250	120.9 Å²	120.9	94%	0.943	79%	0.786	S	S	*	*			trans	67	144.5	143.7	-78.5	177	169.4	177.4	-3.4	117.5
356	T	37.5	Very low	37.6	Very low	113 Å²	113	121.7 Å²	121.7	69%	0.693	79%	0.789	S	S	*	*			cis	-155.1	154.7	16.4	47.4	0	0	0	0	113.4
357	S	39.4	Very low	37.8	Very low	103 Å²	103	120.2 Å²	120.2	72%	0.72	79%	0.791	S	S	*	*			trans	66.3	145.4	139.9	-65.5	0	0	0	0	121.3
358	T	41.1	Very low	37.9	Very low	134 Å²	134	118 Å²	118	82%	0.822	79%	0.788	S	S	*	*			cis	-166.7	142.5	2.8	14.7	0	0	0	0	113.2
359	G	38.8	Very low	37.9	Very low	85 Å²	85	121.8 Å²	121.8	88%	0.876	79%	0.786	S	S	*	*			trans	78.8	139.5	146.2	0	0	0	0	0	120.1
360	G	38.3	Very low	38.4	Very low	70 Å²	70	123.5 Å²	123.5	72%	0.722	78%	0.776	S	S	*	*			cis	173	167.3	-7.9	0	0	0	0	0	115
361	S	41	Very low	38.6	Very low	115 Å²	115	122.8 Å²	122.8	80%	0.804	77%	0.771	S	S	*	*			trans	68.5	104.3	155.7	-52	0	0	0	0	119.2
362	S	39.8	Very low	38.8	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	78%	0.775	S	S	*	*				78.3	140.2	79.2	75.6	0	0	0	0	114.3
363	S	40.8	Very low	38.9	Very low	101 Å²	101	124 Å²	124	71%	0.706	78%	0.776	S	S	*	*			cis	-171.8	154.6	21.6	47.5	0	0	0	0	114
364	S	40.6	Very low	39.4	Very low	103 Å²	103	121.7 Å²	121.7	72%	0.72	77%	0.769	S	S	*	*			trans	55.5	154	140.7	63.2	0	0	0	0	122.8
365	S	39.1	Very low	39.9	Very low	100 Å²	100	122.3 Å²	122.3	70%	0.699	78%	0.776	S	S	*	*			cis	-178.7	164.6	-15.6	-88.1	0	0	0	0	110.2
366	T	41.9	Very low	40.2	Very low	150 Å²	150	117 Å²	117	92%	0.92	77%	0.772	S	S	*	*			trans	63.2	146.2	157.9	50.5	0	0	0	0	120.2
367	G	37.8	Very low	40.9	Very low	80 Å²	80	117.3 Å²	117.3	83%	0.825	78%	0.775	S	S	*	*			cis	160.1	155.7	-7.4	0	0	0	0	0	113.9
368	G	38	Very low	41	Very low	76 Å²	76	117.2 Å²	117.2	78%	0.784	78%	0.781	S	S	*	*			trans	114.7	118.9	167.3	0	0	0	0	0	115.9
369	R	37.7	Very low	41.1	Very low	225 Å²	225	114 Å²	114	85%	0.849	77%	0.774	S	S	*	*				69.3	134.7	76.8	-101.1	-166.5	149.2	-146.7	-5.3	113.1
370	L	41.7	Very low	41.2	Very low	116 Å²	116	116.6 Å²	116.6	61%	0.607	77%	0.768	S	S	*	*			cis	-160.2	159.9	24.5	-101	161.1	0	0	0	111.8
371	S	38.8	Very low	41.4	Very low	88 Å²	88	120.1 Å²	120.1	62%	0.615	77%	0.765	S	S	*	*			trans	42.6	156.4	143.5	-58.7	0	0	0	0	122.9
372	E	40.3	Very low	41.4	Very low	184 Å²	184	120.3 Å²	120.3	86%	0.86	77%	0.766	S	S	*	*			cis	-155.8	174.1	15.7	-136.8	148.1	101.7	0	0	112.4
373	E	38.2	Very low	41.3	Very low	174 Å²	174	120.4 Å²	120.4	81%	0.813	77%	0.767	S	S	*	*			trans	-97.1	-160	-172.3	-93	-103.2	109.6	0	0	113.4
374	P	45	Very low	41.4	Very low	111 Å²	111	121.9 Å²	121.9	72%	0.721	78%	0.778	S	S	*	*				-129.8	-172.7	-80.2	41.1	-23.3	0	0	0	114.3
375	G	46.8	Very low	41.3	Very low	78 Å²	78	120.8 Å²	120.8	80%	0.804	78%	0.782	S	S	*	*			trans	175.4	114.6	165.7	0	0	0	0	0	118.1
376	T	41.5	Very low	41.1	Very low	140 Å²	140	123.1 Å²	123.1	86%	0.859	79%	0.792	S	S	*	*			trans	-107	-171.9	173.8	43.4	0	0	0	0	111.1
377	P	53	Low	41.1	Very low	119 Å²	119	120.7 Å²	120.7	77%	0.773	79%	0.787	S	S	*	*				-132.7	-162.5	-56.5	39	-22.1	0	0	0	112.6
378	A	41.7	Very low	41.1	Very low	101 Å²	101	124.1 Å²	124.1	84%	0.835	79%	0.792	S	S	*	*			trans	121.3	138.6	139.9	0	0	0	0	0	120.1
379	G	41.5	Very low	41.4	Very low	66 Å²	66	124.2 Å²	124.2	68%	0.68	79%	0.793	S	S	*	*			trans	84.9	152.1	157.2	0	0	0	0	0	118.8
380	D	41.4	Very low	41.5	Very low	139 Å²	139	118.2 Å²	118.2	74%	0.743	79%	0.792	S	S	*	*			cis	-164.5	168.8	-20.6	-116.8	-31.9	0	0	0	113.4
381	H	42.3	Very low	42.1	Very low	145 Å²	145	122.4 Å²	122.4	67%	0.671	81%	0.81	S	S	*	*			trans	-46	150.4	-176.9	37.4	-104.1	0	0	0	121.3
382	S	40.6	Very low	42.4	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	82%	0.818	S	S	*	*				171	161.7	119.7	-77.5	0	0	0	0	116.1
383	S	39	Very low	42.9	Very low	115 Å²	115	123.2 Å²	123.2	80%	0.804	81%	0.814	S	S	*	*			trans	-107.2	175.2	-163.2	-50.9	0	0	0	0	116.8
384	S	41.5	Very low	43.2	Very low	132 Å²	132	119.6 Å²	119.6	92%	0.923	81%	0.808	S	S	*	*			trans	100.9	148.9	143.4	80.7	0	0	0	0	120.5
385	G	39.1	Very low	43.2	Very low	79 Å²	79	117.8 Å²	117.8	81%	0.814	81%	0.809	S	S	*	*			trans	139.9	110.8	161.3	0	0	0	0	0	115.9
386	V	36.1	Very low	43	Very low	150 Å²	150	122.8 Å²	122.8	91%	0.909	81%	0.811	S	S	*	*			trans	-113.4	139.9	176	174.3	0	0	0	0	110
387	A	42.1	Very low	43	Very low	98 Å²	98	120.4 Å²	120.4	81%	0.81	80%	0.801	S	S	*	*			trans	-170.9	137	147.7	0	0	0	0	0	112.7
388	V	36.3	Very low	42.6	Very low	152 Å²	152	122.7 Å²	122.7	92%	0.921	81%	0.805	S	S	*	*			trans	-117.7	139	162.8	-179.5	0	0	0	0	107.3
389	G	44.7	Very low	43.1	Very low	79 Å²	79	123.2 Å²	123.2	81%	0.814	80%	0.8	S	S	*	*			trans	-138.6	129.9	176.5	0	0	0	0	0	111.3
390	A	39.5	Very low	43	Very low	99 Å²	99	126.8 Å²	126.8	82%	0.818	81%	0.808	S	S	*	*			trans	-116.7	143.4	171.2	0	0	0	0	0	109
391	M	54.6	Low	43.1	Very low	203 Å²	203	123 Å²	123	100%	1	80%	0.802	S	S	*	*			trans	-140.8	150.4	169.8	-83	-172.6	160.8	0	0	111
392	D	44.7	Very low	43.2	Very low	146 Å²	146	124.4 Å²	124.4	78%	0.781	81%	0.808	S	S	*	*			trans	-97.2	160.3	-167.6	-171.7	-110	0	0	0	111.5
393	D	51.3	Low	43.3	Very low	143 Å²	143	125.5 Å²	125.5	77%	0.765	80%	0.801	S	S	*	*				-175.8	145.5	123.9	-164.7	-150	0	0	0	114.6
394	S	45	Very low	43.5	Very low	99 Å²	99	126.6 Å²	126.6	69%	0.692	79%	0.793	S	S	*	*			trans	-52.4	170.8	175.9	-38.8	0	0	0	0	118.9
395	G	43.8	Very low	43.6	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	78%	0.782	S	S	*	*			trans	163.7	58.2	156.4	0	0	0	0	0	124
396	H	43.7	Very low	44.1	Very low	182 Å²	182	128.8 Å²	128.8	84%	0.843	78%	0.777	S	S	*	*			trans	42.7	120.8	144.4	-83.2	-54.4	0	0	0	126.5
397	S	41.3	Very low	44.5	Very low	91 Å²	91	131.1 Å²	131.1	64%	0.636	78%	0.775	S	S	*	*				80.9	114.5	116.3	-66.7	0	0	0	0	126.4
398	L	43.7	Very low	44.4	Very low	167 Å²	167	134.9 Å²	134.9	87%	0.874	78%	0.775	S	S	*	*			trans	86	152.1	130.5	-62.9	176.3	0	0	0	123.4
399	P	52	Low	44.7	Very low	112 Å²	112	132 Å²	132	73%	0.727	77%	0.768	S	S	*	*			trans	-131.6	-168.7	-164.8	36.6	-13.4	0	0	0	116.6
400	V	40	Very low	44.6	Very low	140 Å²	140	133.5 Å²	133.5	85%	0.848	77%	0.766	S	S	*	*			trans	97.6	126.1	163	-174.5	0	0	0	0	118.4
401	G	43.1	Very low	44.8	Very low	59 Å²	59	134 Å²	134	61%	0.608	76%	0.763	S	S	*	*			trans	169.1	100.7	156.6	0	0	0	0	0	119.1
402	H	45.8	Very low	44.2	Very low	175 Å²	175	128.8 Å²	128.8	81%	0.81	75%	0.752	S	S	*	*			trans	52.3	150	135	-64.6	70.2	0	0	0	120.7
403	Q	41.5	Very low	44.1	Very low	142 Å²	142	127.3 Å²	127.3	66%	0.664	75%	0.753	S	S	*	*			cis	-174.4	172.8	1.5	-113.4	-80.9	25.6	0	0	111.1
404	H	43.9	Very low	43.5	Very low	137 Å²	137	126.3 Å²	126.3	63%	0.634	75%	0.754	S	S	*	*			trans	72.4	147.8	155.1	-80.7	36.4	0	0	0	121
405	Q	42.6	Very low	43.4	Very low	150 Å²	150	131.1 Å²	131.1	70%	0.701	77%	0.766	S	S	*	*			cis	-164	163.4	-22.6	-121.6	-157.4	65	0	0	110.4
406	P	50.5	Low	43.2	Very low	108 Å²	108	136.9 Å²	136.9	70%	0.701	77%	0.773	S	S	*	*			trans	-118.8	170.7	-171.6	42.4	-32.6	0	0	0	116.6
407	K	45	Very low	42.9	Very low	199 Å²	199	139.6 Å²	139.6	87%	0.865	78%	0.776	S	S	*	*			trans	-170.4	160.7	163.6	-97.1	-176.8	-178.2	-179.9	0	110.5
408	Q	40.7	Very low	42.8	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	78%	0.78	S	S	*	*			cis	-174.4	158.4	-45.2	-123.4	-169.4	15.1	0	0	109.6
409	A	42.2	Very low	42.8	Very low	92 Å²	92	140 Å²	140	76%	0.76	78%	0.779	S	S	*	*			trans	67.4	159.1	164.3	0	0	0	0	0	117.7
410	S	42.4	Very low	42.2	Very low	110 Å²	110	146 Å²	146	77%	0.769	79%	0.786	S	S	*	*			cis	179.3	160.3	-15.3	48.4	0	0	0	0	108.3
411	S	42.8	Very low	42.1	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	79%	0.786	S	S	*	*			cis	-174	-177.3	-15.2	55.2	0	0	0	0	109
412	A	43.4	Very low	42.1	Very low	94 Å²	94	147.7 Å²	147.7	78%	0.777	79%	0.792	S	S	*	*			trans	69.1	149.9	170.9	0	0	0	0	0	118
413	S	41.2	Very low	41.7	Very low	115 Å²	115	144.9 Å²	144.9	80%	0.804	79%	0.792	S	S	*	*			cis	-158.9	155.5	-15.1	-101.9	0	0	0	0	109.8
414	P	38.7	Very low	41.6	Very low	121 Å²	121	144.8 Å²	144.8	79%	0.786	80%	0.801	S	S	*	*			trans	-101	140.7	-174.9	36.7	-31.4	0	0	0	114.1
415	Q	43.6	Very low	41.4	Very low	200 Å²	200	143.3 Å²	143.3	94%	0.935	81%	0.806	S	S	*	*			trans	-152.2	146.7	160.4	-129.8	170.2	4.3	0	0	113.7
416	Q	40	Very low	41.2	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	81%	0.809	S	S	*	*			trans	-86.2	137.1	-165.6	-58	156.6	-38.6	0	0	112.7
417	R	36.8	Very low	40.8	Very low	239 Å²	239	142.4 Å²	142.4	90%	0.902	82%	0.816	S	S	*	*			trans	-155.1	136.9	133.8	-144.5	167.3	-175.6	173.7	1.5	112.2
418	A	38.1	Very low	40.4	Very low	88 Å²	88	139 Å²	139	73%	0.727	81%	0.811	S	S	*	*			trans	-83.7	127.1	-168.4	0	0	0	0	0	113.5
419	H	44.5	Very low	40	Very low	180 Å²	180	139.6 Å²	139.6	83%	0.833	81%	0.814	S	S	*	*			trans	-146.7	110.7	155	-74.3	-66.5	0	0	0	111.4
420	R	40.2	Very low	39.6	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	81%	0.808	S	S	*	*			trans	50.3	119.5	147.5	-137.4	174.3	-172.5	-136	1.7	119.6
421	P	38.2	Very low	39.5	Very low	130 Å²	130	140.1 Å²	140.1	84%	0.844	81%	0.809	S	S	*	*			trans	-78	128.4	175.2	32.3	-32.7	0	0	0	111.6
422	S	41.8	Very low	39.6	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	80%	0.803	S	S	*	*			trans	-106.7	124.8	163.8	54.9	0	0	0	0	109.1	V424	S422-V424 PolarHBondContact O-N 3.15Å
423	S	38	Very low	39.7	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	79%	0.788	S	S	*	*			trans	-55.9	130.7	-173.9	-44	0	0	0	0	113.4
424	V	40	Very low	40.1	Very low	141 Å²	141	134.1 Å²	134.1	86%	0.855	76%	0.763	S	S	*	*			trans	-109.3	95.5	163	-171.8	0	0	0	0	106.8	S422	S422-V424 PolarHBondContact O-N 3.15Å
425	S	39.9	Very low	40.7	Very low	106 Å²	106	130.6 Å²	130.6	74%	0.741	74%	0.744	S	S	*	*			trans	-72.8	126.5	179.2	-61.3	0	0	0	0	110.5
426	S	37.3	Very low	41.5	Very low	107 Å²	107	123.7 Å²	123.7	75%	0.748	72%	0.718	S	S	*	*			trans	-56.9	145.4	161.1	-51.2	0	0	0	0	109.9	V428	S426-V428 PolarHBondContact O-N 3.49Å; S426-V428 VanDerWaalsContact O-N 3.11Å
427	P	41.4	Very low	42.6	Very low	131 Å²	131	115.4 Å²	115.4	85%	0.851	68%	0.68	S	S	*	*			trans	-66.3	114.8	174.4	26.4	-30.6	0	0	0	109.1	E429	P427-E429 PolarHBondContact O-N 3.35Å
428	V	37.2	Very low	43.9	Very low	128 Å²	128	111.5 Å²	111.5	78%	0.776	67%	0.665	S	S	*	*			trans	-67.2	125.3	166.3	56.6	0	0	0	0	107.9	S426 S430	S426-V428 PolarHBondContact O-N 3.49Å; S426-V428 VanDerWaalsContact O-N 3.11Å; V428-S430 PolarHBondContact O-N 3.35Å
429	E	33.3	Very low	45.2	Very low	190 Å²	190	111.3 Å²	111.3	89%	0.888	65%	0.654	S	S	*	*			trans	-73	97.8	-178.6	-162.1	172.8	120.2	0	0	109	P427	P427-E429 PolarHBondContact O-N 3.35Å
430	S	33.1	Very low	46.1	Very low	90 Å²	90	103.7 Å²	103.7	63%	0.629	62%	0.621	S	S	*	*			trans	-57.8	138.4	177.8	-62.8	0	0	0	0	110.5	V428 S432	V428-S430 PolarHBondContact O-N 3.35Å; S430-S432 PolarHBondContact O-N 2.88Å
431	P	41	Very low	47.4	Very low	122 Å²	122	92.9 Å²	92.9	79%	0.792	58%	0.58	S	S	*	*			trans	-62.8	100.4	179	25.9	-33.5	0	0	0	110	V433	P431-V433 PolarHBondContact O-N 2.86Å
432	S	43.1	Very low	48.8	Very low	91 Å²	91	90.2 Å²	90.2	64%	0.636	56%	0.559	S	S	*	*			trans	-70.5	119.4	-168.1	-178.1	0	0	0	0	111.3	S430 G434 A435	S430-S432 PolarHBondContact O-N 2.88Å; S432-G434 PolarHBondContact O-N 3.31Å; S432-A435 PolarHBondContact O-N 3.1Å
433	V	46.7	Very low	50.1	Low	75 Å²	75	89.4 Å²	89.4	46%	0.455	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	25.8	-64.8	151.8	173.9	0	0	0	0	116.7	P184 P431 A435 S436	P184-V433 HydrophobicContact CG-CB 4.18Å; P184-V433 HydrophobicContact CG-CG1 3.72Å; P184-V433 HydrophobicContact CG-CG2 3.93Å; P431-V433 PolarHBondContact O-N 2.86Å; V433-A435 PolarHBondContact O-N 3.46Å; V433-A435 VanDerWaalsContact O-N 3.13Å; V433-S436 PolarHBondContact O-N 3.27Å
434	G	48.6	Very low	51.5	Low	27 Å²	27	84.2 Å²	84.2	28%	0.278	51%	0.509	S	S	.	.	H	α-helix	trans	-58.3	-19.7	176.1	0	0	0	0	0	115	S432 R438	S432-G434 PolarHBondContact O-N 3.31Å; G434-R438 WeakPolarHBondContact O-CB 3.36Å; G434-R438 VanDerWaalsContact O-CD 3.26Å; G434-R438 WeakPolarHBondContact O-CD 3.42Å; G434-R438 WeakPolarHBondContact O-CG 3.34Å; G434-R438 PolarHBondContact O-N 3.31Å
435	A	53	Low	52.7	Low	47 Å²	47	80.5 Å²	80.5	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-64.8	-35.7	176.2	0	0	0	0	0	113.3	S432 V433 T439	S432-A435 PolarHBondContact O-N 3.1Å; V433-A435 PolarHBondContact O-N 3.46Å; V433-A435 VanDerWaalsContact O-N 3.13Å; A435-T439 WeakPolarHBondContact O-CB 3.28Å; A435-T439 PolarHBondContact O-N 3.28Å; A435-T439 VanDerWaalsContact O-N 3.09Å; A435-T439 PolarHBondContact O-OG1 3.3Å
436	S	58.5	Low	53.4	Low	55 Å²	55	79.2 Å²	79.2	39%	0.385	48%	0.48	S	S	.	.	H	α-helix	trans	-68	-55.6	176.8	-168.1	0	0	0	0	110.2	V433 R438 T439 T440	V433-S436 PolarHBondContact O-N 3.27Å; S436-R438 VanDerWaalsContact C-N 3.27Å; S436-R438 PolarHBondContact O-N 2.78Å; S436-T439 WeakPolarHBondContact O-CB 3.35Å; S436-T439 PolarHBondContact O-N 2.98Å; S436-T439 VanDerWaalsContact O-N 3.11Å; S436-T440 PolarHBondContact O-N 2.96Å; S436-T440 PolarHBondContact O-OG1 3.43Å
437	L	64.4	Low	53.9	Low	20 Å²	20	76.3 Å²	76.3	11%	0.105	46%	0.458	C	S	.	.	H	α-helix	trans	-63.3	-28	179	-77.1	175.1	0	0	0	114	P129 M175 Y182 T440 M441	P129-L437 HydrophobicContact CG-CD1 3.87Å; P129-L437 HydrophobicContact CG-CD2 4.19Å; M175-L437 HydrophobicContact CE-CD1 4.49Å; Y182-L437 HydrophobicContact CD1-CD1 3.66Å; Y182-L437 HydrophobicContact CD1-CG 4.48Å; Y182-L437 HydrophobicContact CE1-CD1 4.12Å; Y182-L437 HydrophobicContact CE1-CD2 4.5Å; L437-T440 VanDerWaalsContact CA-OG1 3.32Å; L437-T440 WeakPolarHBondContact CA-OG1 3.49Å; L437-T440 PolarHBondContact O-OG1 3.2Å; L437-T440 VanDerWaalsContact O-OG1 3.12Å; L437-M441 WeakPolarHBondContact O-CB 3.38Å; L437-M441 VanDerWaalsContact O-CG 3.28Å; L437-M441 WeakPolarHBondContact O-CG 3.49Å; L437-M441 PolarHBondContact O-N 3.4Å
438	R	63.9	Low	53.9	Low	156 Å²	156	76.7 Å²	76.7	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-68.7	-50.9	171.2	-76.7	165.5	-173.9	-166.9	-0.9	110.7	G434 S436 T440 M441 D442	G434-R438 WeakPolarHBondContact O-CB 3.36Å; G434-R438 VanDerWaalsContact O-CD 3.26Å; G434-R438 WeakPolarHBondContact O-CD 3.42Å; G434-R438 WeakPolarHBondContact O-CG 3.34Å; G434-R438 PolarHBondContact O-N 3.31Å; S436-R438 VanDerWaalsContact C-N 3.27Å; S436-R438 PolarHBondContact O-N 2.78Å; R438-T440 PolarHBondContact O-N 3.28Å; R438-M441 PolarHBondContact O-N 3.2Å; R438-D442 WeakPolarHBondContact O-CB 3.24Å; R438-D442 VanDerWaalsContact O-CG 3.25Å; R438-D442 PolarHBondContact O-N 2.96Å; R438-D442 VanDerWaalsContact O-OD2 3.13Å
439	T	66.1	Low	53.7	Low	84 Å²	84	75.6 Å²	75.6	52%	0.515	45%	0.448	S	S	.	.	H	α-helix	trans	-55.8	-40.9	176.1	-51.2	0	0	0	0	111.3	A435 S436 L443	A435-T439 WeakPolarHBondContact O-CB 3.28Å; A435-T439 PolarHBondContact O-N 3.28Å; A435-T439 VanDerWaalsContact O-N 3.09Å; A435-T439 PolarHBondContact O-OG1 3.3Å; S436-T439 WeakPolarHBondContact O-CB 3.35Å; S436-T439 PolarHBondContact O-N 2.98Å; S436-T439 VanDerWaalsContact O-N 3.11Å; T439-L443 HydrophobicContact CG2-CD1 4.16Å; T439-L443 WeakPolarHBondContact O-CB 3.33Å; T439-L443 WeakPolarHBondContact O-CG 3.48Å; T439-L443 PolarHBondContact O-N 3.37Å
440	T	62.5	Low	53.8	Low	20 Å²	20	72.2 Å²	72.2	12%	0.123	45%	0.445	C	S	.	.	H	α-helix	trans	-72	-39.4	177.4	58.1	0	0	0	0	113.8	V193 S436 L437 R438 L443 L444	V193-T440 HydrophobicContact CG2-CG2 4.05Å; S436-T440 PolarHBondContact O-N 2.96Å; S436-T440 PolarHBondContact O-OG1 3.43Å; L437-T440 VanDerWaalsContact CA-OG1 3.32Å; L437-T440 WeakPolarHBondContact CA-OG1 3.49Å; L437-T440 PolarHBondContact O-OG1 3.2Å; L437-T440 VanDerWaalsContact O-OG1 3.12Å; R438-T440 PolarHBondContact O-N 3.28Å; T440-L443 PolarHBondContact O-N 3.45Å; T440-L444 WeakPolarHBondContact O-CG 3.31Å; T440-L444 PolarHBondContact O-N 3.13Å
441	M	68.5	Low	53.9	Low	9 Å²	9	75.5 Å²	75.5	4%	0.044	45%	0.451	C	S	.	.	H	α-helix	trans	-66	-37.5	172.7	-76.7	-57.9	-56.7	0	0	112.5	L130 L133 V168 F171 A172 L437 R438 L444 S445	L130-M441 HydrophobicContact CD2-CG 4.4Å; L130-M441 HydrophobicContact CD2-SD 3.42Å; L130-M441 WeakPolarHBondContact CD2-SD 3.32Å; L133-M441 HydrophobicContact CD2-CE 4.26Å; L133-M441 HydrophobicContact CD2-SD 4.43Å; V168-M441 HydrophobicContact CG1-CE 4.08Å; F171-M441 HydrophobicContact CD1-CE 3.95Å; F171-M441 HydrophobicContact CD1-SD 4.27Å; A172-M441 HydrophobicContact CB-CE 3.65Å; L437-M441 WeakPolarHBondContact O-CB 3.38Å; L437-M441 VanDerWaalsContact O-CG 3.28Å; L437-M441 WeakPolarHBondContact O-CG 3.49Å; L437-M441 PolarHBondContact O-N 3.4Å; R438-M441 PolarHBondContact O-N 3.2Å; M441-L444 PolarHBondContact O-N 2.96Å; M441-L444 HydrophobicContact SD-CD1 3.99Å; M441-S445 WeakPolarHBondContact O-CB 3.3Å; M441-S445 PolarHBondContact O-N 3.5Å; M441-S445 PolarHBondContact O-OG 3.26Å
442	D	67.3	Low	53.6	Low	75 Å²	75	73.9 Å²	73.9	40%	0.401	43%	0.434	S	S	.	.	H	α-helix	trans	-66.6	-40.3	173.9	-68.3	-36.9	0	0	0	109.7	R176 R438 S445 S446	R176-D442 IonicContact NH2-OD1 3.23Å; R438-D442 WeakPolarHBondContact O-CB 3.24Å; R438-D442 VanDerWaalsContact O-CG 3.25Å; R438-D442 PolarHBondContact O-N 2.96Å; R438-D442 VanDerWaalsContact O-OD2 3.13Å; D442-S445 CarbonylContact O-C 3.55Å; D442-S445 WeakPolarHBondContact O-CB 3.36Å; D442-S445 PolarHBondContact O-N 3.21Å; D442-S446 VanDerWaalsContact O-CB 3.27Å; D442-S446 WeakPolarHBondContact O-CB 3.07Å; D442-S446 PolarHBondContact O-N 3.11Å; D442-S446 PolarHBondContact O-OG 3.03Å
443	L	68.1	Low	53.2	Low	87 Å²	87	72.7 Å²	72.7	46%	0.455	43%	0.425	S	S	.	.	H	α-helix	trans	-64.5	-40.3	173	-76.5	167.5	0	0	0	113.5	T439 T440 S445 S446 T447	T439-L443 HydrophobicContact CG2-CD1 4.16Å; T439-L443 WeakPolarHBondContact O-CB 3.33Å; T439-L443 WeakPolarHBondContact O-CG 3.48Å; T439-L443 PolarHBondContact O-N 3.37Å; T440-L443 PolarHBondContact O-N 3.45Å; L443-S445 PolarHBondContact O-N 2.87Å; L443-S446 CarbonylContact O-C 3.43Å; L443-S446 VanDerWaalsContact O-C 3.22Å; L443-S446 PolarHBondContact O-N 3.5Å; L443-S446 VanDerWaalsContact O-N 3.13Å; L443-T447 PolarHBondContact O-N 3.21Å; L443-T447 PolarHBondContact O-OG1 2.84Å
444	L	68.2	Low	53.2	Low	8 Å²	8	74.9 Å²	74.9	4%	0.042	44%	0.439	C	S	.	.	H	α-helix	trans	-60.6	-36.8	171.8	-76.8	173.1	0	0	0	111.5	L130 L133 V168 V193 I196 Q197 T440 M441	L130-L444 HydrophobicContact CD1-CD1 4.22Å; L133-L444 HydrophobicContact CD2-CD1 4.34Å; V168-L444 HydrophobicContact CG1-CB 4.35Å; V193-L444 HydrophobicContact CB-CD2 4.46Å; V193-L444 HydrophobicContact CG1-CD2 3.91Å; V193-L444 HydrophobicContact CG1-CG 4.15Å; V193-L444 HydrophobicContact CG2-CD1 4.21Å; V193-L444 HydrophobicContact CG2-CG 4.33Å; I196-L444 HydrophobicContact CB-CD2 4.07Å; I196-L444 HydrophobicContact CD1-CD1 4.39Å; I196-L444 HydrophobicContact CG2-CD2 3.81Å; Q197-L444 HydrophobicContact CG-CD2 3.88Å; T440-L444 WeakPolarHBondContact O-CG 3.31Å; T440-L444 PolarHBondContact O-N 3.13Å; M441-L444 PolarHBondContact O-N 2.96Å; M441-L444 HydrophobicContact SD-CD1 3.99Å
445	S	65.8	Low	52.8	Low	62 Å²	62	76.7 Å²	76.7	43%	0.434	45%	0.451	S	S	.	.	H	α-helix	trans	-78	-22.8	174.5	-49.9	0	0	0	0	113.2	M441 D442 L443	M441-S445 WeakPolarHBondContact O-CB 3.3Å; M441-S445 PolarHBondContact O-N 3.5Å; M441-S445 PolarHBondContact O-OG 3.26Å; D442-S445 CarbonylContact O-C 3.55Å; D442-S445 WeakPolarHBondContact O-CB 3.36Å; D442-S445 PolarHBondContact O-N 3.21Å; L443-S445 PolarHBondContact O-N 2.87Å
446	S	53.5	Low	52.3	Low	79 Å²	79	79.7 Å²	79.7	55%	0.552	46%	0.457	S	S	*	.	S	Bend	trans	-119.4	53.8	-175.6	60.1	0	0	0	0	112.6	D442 L443	D442-S446 VanDerWaalsContact O-CB 3.27Å; D442-S446 WeakPolarHBondContact O-CB 3.07Å; D442-S446 PolarHBondContact O-N 3.11Å; D442-S446 PolarHBondContact O-OG 3.03Å; L443-S446 CarbonylContact O-C 3.43Å; L443-S446 VanDerWaalsContact O-C 3.22Å; L443-S446 PolarHBondContact O-N 3.5Å; L443-S446 VanDerWaalsContact O-N 3.13Å
447	T	48.4	Very low	51.7	Low	46 Å²	46	82.8 Å²	82.8	28%	0.282	47%	0.465	S	S	.	.			trans	-131.6	117.4	163.9	-56.5	0	0	0	0	105.8	Q197 R200 L443	Q197-T447 PolarHBondContact NE2-OG1 3.11Å; R200-T447 PolarHBondContact NH1-O 3.08Å; L443-T447 PolarHBondContact O-N 3.21Å; L443-T447 PolarHBondContact O-OG1 2.84Å
448	L	41.1	Very low	50.6	Low	140 Å²	140	87.4 Å²	87.4	73%	0.733	49%	0.486	S	S	*	.	S	Bend	cis	-113.5	177.3	1.7	-79.6	161.7	0	0	0	109.8	S450	L448-S450 PolarHBondContact O-N 3.34Å; L448-S450 VanDerWaalsContact O-N 3.14Å
449	P	33.5	Very low	49.4	Very low	104 Å²	104	85.9 Å²	85.9	68%	0.675	49%	0.487	S	S	*	.			trans	-52.7	123.8	168.4	21.7	-34.6	0	0	0	110.9	E451	P449-E451 PolarHBondContact O-N 2.91Å
450	S	35.6	Very low	48.1	Very low	120 Å²	120	86.1 Å²	86.1	84%	0.839	49%	0.485	S	S	*	.	S	Bend	trans	-60.4	6.1	-179.5	-173.8	0	0	0	0	115.1	L448	L448-S450 PolarHBondContact O-N 3.34Å; L448-S450 VanDerWaalsContact O-N 3.14Å
451	E	33.4	Very low	47	Very low	158 Å²	158	89.3 Å²	89.3	74%	0.738	51%	0.508	S	S	*	.			trans	-143.3	63.5	-174.3	-74	-71.8	128.5	0	0	108.6	P449 S453	P449-E451 PolarHBondContact O-N 2.91Å; E451-S453 PolarHBondContact O-N 3.07Å
452	M	35.7	Very low	45.9	Very low	89 Å²	89	95.2 Å²	95.2	44%	0.438	54%	0.535	S	S	.	.			trans	-69.3	84.8	148.5	-169.3	-169.2	-55.4	0	0	105.7	V454 Q456 Q457 L460	M452-V454 PolarHBondContact O-N 3.4Å; M452-Q456 HydrophobicContact CG-CB 4.04Å; M452-Q456 HydrophobicContact CG-CG 4.11Å; M452-Q456 HydrophobicContact SD-CG 4.34Å; M452-Q457 HydrophobicContact SD-CB 4.28Å; M452-L460 HydrophobicContact SD-CD1 4.14Å
453	S	34.3	Very low	44.7	Very low	66 Å²	66	99.3 Å²	99.3	46%	0.462	55%	0.552	S	S	.	*			trans	-42.6	134.9	-176.2	-178.5	0	0	0	0	110.1	E451 A455 Q456 Q457	E451-S453 PolarHBondContact O-N 3.07Å; S453-A455 CarbonylContact O-C 3.57Å; S453-A455 PolarHBondContact O-N 3.44Å; S453-Q456 PolarHBondContact O-N 3.38Å; S453-Q457 PolarHBondContact O-N 2.92Å
454	V	47.3	Very low	43.3	Very low	121 Å²	121	101 Å²	101	73%	0.733	56%	0.558	S	S	*	*	H	α-helix	trans	-47.2	-29.5	-174.9	178	0	0	0	0	112.6	M452 Q456 Q457 H458	M452-V454 PolarHBondContact O-N 3.4Å; V454-Q456 PolarHBondContact O-N 2.91Å; V454-Q457 PolarHBondContact O-N 3.3Å; V454-H458 VanDerWaalsContact O-CB 3.29Å; V454-H458 WeakPolarHBondContact O-CB 3.22Å; V454-H458 PolarHBondContact O-N 3.45Å
455	A	39.5	Very low	41.6	Very low	64 Å²	64	103.9 Å²	103.9	53%	0.529	59%	0.589	S	S	.	*	H	α-helix	trans	-58	-40.9	171.9	0	0	0	0	0	115	S453 M459	S453-A455 CarbonylContact O-C 3.57Å; S453-A455 PolarHBondContact O-N 3.44Å; A455-M459 WeakPolarHBondContact O-CB 3.19Å; A455-M459 PolarHBondContact O-N 3.28Å
456	Q	41.9	Very low	40.1	Very low	110 Å²	110	105.4 Å²	105.4	51%	0.514	60%	0.6	S	S	.	*	H	α-helix	trans	-79.2	-33.9	-179.6	-174.5	166.6	-34	0	0	112	M452 S453 V454 H458 M459 L460	M452-Q456 HydrophobicContact CG-CB 4.04Å; M452-Q456 HydrophobicContact CG-CG 4.11Å; M452-Q456 HydrophobicContact SD-CG 4.34Å; S453-Q456 PolarHBondContact O-N 3.38Å; V454-Q456 PolarHBondContact O-N 2.91Å; Q456-H458 VanDerWaalsContact C-N 3.34Å; Q456-M459 WeakPolarHBondContact O-CB 3.28Å; Q456-M459 PolarHBondContact O-N 2.81Å; Q456-M459 VanDerWaalsContact O-N 3.15Å; Q456-L460 PolarHBondContact O-N 3.45Å
457	Q	47.3	Very low	39.5	Very low	120 Å²	120	106.6 Å²	106.6	56%	0.561	60%	0.595	S	S	*	*	H	α-helix	trans	-65.4	-39.2	171.1	-161.6	162.9	-17.2	0	0	111	M452 S453 V454 M459 S461	M452-Q457 HydrophobicContact SD-CB 4.28Å; S453-Q457 PolarHBondContact O-N 2.92Å; V454-Q457 PolarHBondContact O-N 3.3Å; Q457-M459 VanDerWaalsContact C-N 3.3Å; Q457-M459 PolarHBondContact O-N 2.86Å; Q457-S461 VanDerWaalsContact O-CB 3.24Å; Q457-S461 WeakPolarHBondContact O-CB 3.26Å; Q457-S461 PolarHBondContact O-N 2.95Å
458	H	39.9	Very low	38.8	Very low	117 Å²	117	110.5 Å²	110.5	54%	0.542	61%	0.614	S	S	.	*	H	α-helix	trans	-69.3	-22.6	171.3	-172.2	-133.3	0	0	0	113.9	V454 Q456 Q462	V454-H458 VanDerWaalsContact O-CB 3.29Å; V454-H458 WeakPolarHBondContact O-CB 3.22Å; V454-H458 PolarHBondContact O-N 3.45Å; Q456-H458 VanDerWaalsContact C-N 3.34Å; H458-Q462 PolarHBondContact CE1-NE2 2.75Å; H458-Q462 PolarHBondContact ND1-NE2 3.09Å; H458-Q462 PolarHBondContact NE2-NE2 3.09Å; H458-Q462 WeakPolarHBondContact O-CG 3.33Å; H458-Q462 PolarHBondContact O-N 2.85Å; H458-Q462 PolarHBondContact O-NE2 2.9Å; H458-Q462 VanDerWaalsContact O-NE2 3.12Å
459	M	39.5	Very low	38.5	Very low	124 Å²	124	107.3 Å²	107.3	61%	0.611	60%	0.601	S	S	*	*	H	α-helix	trans	-80.7	-42.8	177.3	-151.3	-174.6	-62.9	0	0	111.6	A455 Q456 Q457 Q462 Q463	A455-M459 WeakPolarHBondContact O-CB 3.19Å; A455-M459 PolarHBondContact O-N 3.28Å; Q456-M459 WeakPolarHBondContact O-CB 3.28Å; Q456-M459 PolarHBondContact O-N 2.81Å; Q456-M459 VanDerWaalsContact O-N 3.15Å; Q457-M459 VanDerWaalsContact C-N 3.3Å; Q457-M459 PolarHBondContact O-N 2.86Å; M459-Q462 PolarHBondContact O-N 3.32Å; M459-Q463 PolarHBondContact O-N 2.92Å
460	L	38.4	Very low	38.4	Very low	89 Å²	89	108.7 Å²	108.7	47%	0.466	60%	0.601	S	S	.	*	H	α-helix	trans	-67	-40.2	173.7	-71.2	168.2	0	0	0	111.3	M452 Q456 Q462 Q463 H464	M452-L460 HydrophobicContact SD-CD1 4.14Å; Q456-L460 PolarHBondContact O-N 3.45Å; L460-Q462 PolarHBondContact O-N 3.42Å; L460-Q463 PolarHBondContact O-N 2.93Å; L460-Q463 VanDerWaalsContact O-N 3.17Å; L460-H464 PolarHBondContact O-N 3.11Å; L460-H464 VanDerWaalsContact O-N 3.14Å
461	S	40.6	Very low	38.5	Very low	87 Å²	87	106.6 Å²	106.6	61%	0.608	59%	0.586	S	S	*	*	H	α-helix	trans	-65.8	-10.6	173	-174	0	0	0	0	114.7	Q457	Q457-S461 VanDerWaalsContact O-CB 3.24Å; Q457-S461 WeakPolarHBondContact O-CB 3.26Å; Q457-S461 PolarHBondContact O-N 2.95Å
462	Q	45.2	Very low	38.6	Very low	134 Å²	134	101.7 Å²	101.7	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-102.9	-13.5	173.9	-83.8	-178.4	84	0	0	113.5	H458 M459 L460	H458-Q462 PolarHBondContact CE1-NE2 2.75Å; H458-Q462 PolarHBondContact ND1-NE2 3.09Å; H458-Q462 PolarHBondContact NE2-NE2 3.09Å; H458-Q462 WeakPolarHBondContact O-CG 3.33Å; H458-Q462 PolarHBondContact O-N 2.85Å; H458-Q462 PolarHBondContact O-NE2 2.9Å; H458-Q462 VanDerWaalsContact O-NE2 3.12Å; M459-Q462 PolarHBondContact O-N 3.32Å; L460-Q462 PolarHBondContact O-N 3.42Å
463	Q	40.8	Very low	38.6	Very low	161 Å²	161	99 Å²	99	75%	0.752	55%	0.554	S	S	*	*	H	α-helix	trans	-94.1	-28.2	175.1	-80.4	-73.5	-80.2	0	0	112.7	M459 L460	M459-Q463 PolarHBondContact O-N 2.92Å; L460-Q463 PolarHBondContact O-N 2.93Å; L460-Q463 VanDerWaalsContact O-N 3.17Å
464	H	39.6	Very low	38.9	Very low	123 Å²	123	100.6 Å²	100.6	57%	0.569	56%	0.56	S	S	*	*	S	Bend	trans	-109.6	121.4	176	-66.7	-99.2	0	0	0	109.2	L460	L460-H464 PolarHBondContact O-N 3.11Å; L460-H464 VanDerWaalsContact O-N 3.14Å
465	G	32.8	Very low	38.5	Very low	68 Å²	68	100.5 Å²	100.5	70%	0.701	56%	0.556	S	S	*	*			trans	-63.9	168.8	177.7	0	0	0	0	0	112.7	F467	G465-F467 PolarHBondContact O-N 3.26Å
466	S	34.6	Very low	38.5	Very low	94 Å²	94	101.8 Å²	101.8	66%	0.657	55%	0.553	S	S	*	*			trans	-43.2	130.5	-174.5	-157.8	0	0	0	0	113	D468	S466-D468 VanDerWaalsContact CB-OD1 3.3Å; S466-D468 WeakPolarHBondContact CB-OD1 3.48Å; S466-D468 WeakPolarHBondContact CB-OD2 3.4Å; S466-D468 PolarHBondContact O-N 2.9Å; S466-D468 PolarHBondContact OG-OD1 3.12Å
467	F	40.6	Very low	38.3	Very low	103 Å²	103	98.9 Å²	98.9	45%	0.452	55%	0.545	S	S	.	.			trans	-94.8	74.8	-174.7	-147.1	-89.4	0	0	0	108.6	G465 T469 D472 V473 L476	G465-F467 PolarHBondContact O-N 3.26Å; F467-T469 PolarHBondContact O-N 3.43Å; F467-D472 HydrophobicContact CD1-CB 3.86Å; F467-D472 HydrophobicContact CD2-CB 4.27Å; F467-D472 HydrophobicContact CE1-CB 3.55Å; F467-D472 HydrophobicContact CE2-CB 3.99Å; F467-D472 HydrophobicContact CG-CB 4.24Å; F467-D472 HydrophobicContact CZ-CB 3.66Å; F467-D472 WeakPolarHBondContact CZ-O 3.49Å; F467-V473 HydrophobicContact CD1-CG2 4.29Å; F467-V473 VanDerWaalsContact CE1-CA 3.49Å; F467-V473 HydrophobicContact CE1-CB 4.04Å; F467-V473 HydrophobicContact CE1-CG2 3.56Å; F467-L476 HydrophobicContact CE2-CB 4.29Å; F467-L476 HydrophobicContact CE2-CD2 4.01Å; F467-L476 HydrophobicContact CZ-CB 3.96Å; F467-L476 HydrophobicContact CZ-CD2 4.07Å
468	D	33.4	Very low	37.8	Very low	128 Å²	128	94.8 Å²	94.8	68%	0.684	54%	0.535	S	S	*	.			trans	-84.1	-9	-161	-66.8	-37	0	0	0	113.9	S466	S466-D468 VanDerWaalsContact CB-OD1 3.3Å; S466-D468 WeakPolarHBondContact CB-OD1 3.48Å; S466-D468 WeakPolarHBondContact CB-OD2 3.4Å; S466-D468 PolarHBondContact O-N 2.9Å; S466-D468 PolarHBondContact OG-OD1 3.12Å
469	T	35.3	Very low	37.7	Very low	74 Å²	74	91.9 Å²	91.9	45%	0.454	53%	0.531	S	S	.	.			trans	-140	149.2	-171.6	-16	0	0	0	0	114.4	F467 S471 D472	F467-T469 PolarHBondContact O-N 3.43Å; T469-S471 PolarHBondContact O-N 3.11Å; T469-D472 WeakPolarHBondContact CA-OD2 3.49Å; T469-D472 WeakPolarHBondContact CB-OD2 3.32Å; T469-D472 PolarHBondContact N-OD2 3.34Å; T469-D472 WeakPolarHBondContact O-CB 3.19Å; T469-D472 PolarHBondContact O-N 3.15Å; T469-D472 PolarHBondContact OG1-OD2 3.11Å
470	I	31.6	Very low	37.6	Very low	132 Å²	132	92.7 Å²	92.7	68%	0.677	54%	0.537	S	S	*	.	H	α-helix	trans	-58.5	-33.8	168.6	-65.1	170.2	0	0	0	111.3	D472 V473 V474	I470-D472 PolarHBondContact O-N 2.96Å; I470-V473 WeakPolarHBondContact O-CB 3.37Å; I470-V473 PolarHBondContact O-N 2.66Å; I470-V474 PolarHBondContact O-N 3.12Å
471	S	37.4	Very low	37.6	Very low	77 Å²	77	92.6 Å²	92.6	54%	0.538	54%	0.536	S	S	.	.	H	α-helix	trans	-55.3	-38.8	172.8	-70.1	0	0	0	0	112.6	T469 V473 V474 D475	T469-S471 PolarHBondContact O-N 3.11Å; S471-V473 VanDerWaalsContact C-N 3.27Å; S471-V473 PolarHBondContact O-N 2.97Å; S471-V474 PolarHBondContact O-N 2.87Å; S471-D475 PolarHBondContact O-N 2.8Å
472	D	34.7	Very low	37.4	Very low	55 Å²	55	92.5 Å²	92.5	29%	0.294	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-33.3	179.7	-52.7	-54.2	0	0	0	110.7	F467 T469 I470 D475 L476	F467-D472 HydrophobicContact CD1-CB 3.86Å; F467-D472 HydrophobicContact CD2-CB 4.27Å; F467-D472 HydrophobicContact CE1-CB 3.55Å; F467-D472 HydrophobicContact CE2-CB 3.99Å; F467-D472 HydrophobicContact CG-CB 4.24Å; F467-D472 HydrophobicContact CZ-CB 3.66Å; F467-D472 WeakPolarHBondContact CZ-O 3.49Å; T469-D472 WeakPolarHBondContact CA-OD2 3.49Å; T469-D472 WeakPolarHBondContact CB-OD2 3.32Å; T469-D472 PolarHBondContact N-OD2 3.34Å; T469-D472 WeakPolarHBondContact O-CB 3.19Å; T469-D472 PolarHBondContact O-N 3.15Å; T469-D472 PolarHBondContact OG1-OD2 3.11Å; I470-D472 PolarHBondContact O-N 2.96Å; D472-D475 PolarHBondContact O-N 3.44Å; D472-L476 WeakPolarHBondContact O-CB 3.41Å; D472-L476 PolarHBondContact O-N 2.75Å
473	V	35.1	Very low	36.9	Very low	33 Å²	33	90.1 Å²	90.1	20%	0.2	54%	0.539	C	S	.	.	H	α-helix	trans	-64.5	-45.3	177	-170.6	0	0	0	0	109.8	E205 F467 I470 S471 L476 S477	E205-V473 VanDerWaalsContact OE1-CG1 3.31Å; E205-V473 WeakPolarHBondContact OE1-CG1 3.28Å; F467-V473 HydrophobicContact CD1-CG2 4.29Å; F467-V473 VanDerWaalsContact CE1-CA 3.49Å; F467-V473 HydrophobicContact CE1-CB 4.04Å; F467-V473 HydrophobicContact CE1-CG2 3.56Å; I470-V473 WeakPolarHBondContact O-CB 3.37Å; I470-V473 PolarHBondContact O-N 2.66Å; S471-V473 VanDerWaalsContact C-N 3.27Å; S471-V473 PolarHBondContact O-N 2.97Å; V473-L476 PolarHBondContact O-N 3.32Å; V473-S477 WeakPolarHBondContact O-CB 3.42Å; V473-S477 PolarHBondContact O-N 3.1Å; V473-S477 PolarHBondContact O-OG 3.47Å
474	V	41	Very low	36.8	Very low	99 Å²	99	85.3 Å²	85.3	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-68.2	-40.1	179.9	-179.9	0	0	0	0	110.5	I470 S471 S477 G478	I470-V474 PolarHBondContact O-N 3.12Å; S471-V474 PolarHBondContact O-N 2.87Å; V474-S477 WeakPolarHBondContact O-CB 3.18Å; V474-S477 PolarHBondContact O-N 2.6Å; V474-G478 PolarHBondContact O-N 2.81Å
475	D	39.1	Very low	36.7	Very low	119 Å²	119	85.4 Å²	85.4	64%	0.636	54%	0.538	S	S	*	.	H	α-helix	trans	-66.8	-39.5	174.2	-96.4	-41.5	0	0	0	112.4	S471 D472 G478 A479	S471-D475 PolarHBondContact O-N 2.8Å; D472-D475 PolarHBondContact O-N 3.44Å; D475-G478 CarbonylContact O-C 3.22Å; D475-G478 PolarHBondContact O-N 3.4Å; D475-A479 WeakPolarHBondContact O-CB 3.21Å; D475-A479 PolarHBondContact O-N 3.25Å
476	L	40	Very low	36.6	Very low	91 Å²	91	91.7 Å²	91.7	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-68.6	-38.5	176.4	-164.7	74.1	0	0	0	111.3	F467 D472 V473 G478 A479 L480	F467-L476 HydrophobicContact CE2-CB 4.29Å; F467-L476 HydrophobicContact CE2-CD2 4.01Å; F467-L476 HydrophobicContact CZ-CB 3.96Å; F467-L476 HydrophobicContact CZ-CD2 4.07Å; D472-L476 WeakPolarHBondContact O-CB 3.41Å; D472-L476 PolarHBondContact O-N 2.75Å; V473-L476 PolarHBondContact O-N 3.32Å; L476-G478 VanDerWaalsContact C-N 3.35Å; L476-A479 PolarHBondContact O-N 3.13Å; L476-L480 PolarHBondContact O-N 3.11Å
477	S	38.3	Very low	36.5	Very low	49 Å²	49	91 Å²	91	34%	0.343	55%	0.546	S	S	.	.	H	α-helix	trans	-59.6	-46.1	170.2	-59.9	0	0	0	0	110.8	V473 V474 A479 L480 I481	V473-S477 WeakPolarHBondContact O-CB 3.42Å; V473-S477 PolarHBondContact O-N 3.1Å; V473-S477 PolarHBondContact O-OG 3.47Å; V474-S477 WeakPolarHBondContact O-CB 3.18Å; V474-S477 PolarHBondContact O-N 2.6Å; S477-A479 PolarHBondContact O-N 3.19Å; S477-L480 PolarHBondContact O-N 3.45Å; S477-I481 WeakPolarHBondContact O-CD1 3.06Å; S477-I481 VanDerWaalsContact O-CG1 3.24Å; S477-I481 WeakPolarHBondContact O-CG1 3.26Å; S477-I481 PolarHBondContact O-N 3.23Å
478	G	35.6	Very low	36.4	Very low	34 Å²	34	93.5 Å²	93.5	35%	0.351	56%	0.563	S	S	.	*	H	α-helix	trans	-61.9	-37.2	174.1	0	0	0	0	0	113.7	V474 D475 L476 I481 S482	V474-G478 PolarHBondContact O-N 2.81Å; D475-G478 CarbonylContact O-C 3.22Å; D475-G478 PolarHBondContact O-N 3.4Å; L476-G478 VanDerWaalsContact C-N 3.35Å; G478-I481 PolarHBondContact O-N 2.98Å; G478-S482 WeakPolarHBondContact O-CB 3.27Å; G478-S482 PolarHBondContact O-N 3.09Å
479	A	39.2	Very low	36.7	Very low	55 Å²	55	92.5 Å²	92.5	46%	0.455	57%	0.573	S	S	.	*	H	α-helix	trans	-69.4	-39.1	176	0	0	0	0	0	112	D475 L476 S477 I481 S482 A483	D475-A479 WeakPolarHBondContact O-CB 3.21Å; D475-A479 PolarHBondContact O-N 3.25Å; L476-A479 PolarHBondContact O-N 3.13Å; S477-A479 PolarHBondContact O-N 3.19Å; A479-I481 VanDerWaalsContact C-N 3.33Å; A479-S482 WeakPolarHBondContact O-CB 3.43Å; A479-S482 PolarHBondContact O-N 3.13Å; A479-A483 PolarHBondContact O-N 3.21Å; A479-A483 VanDerWaalsContact O-N 3.13Å
480	L	36.6	Very low	37.1	Very low	141 Å²	141	92.8 Å²	92.8	74%	0.738	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-39	174	-141.5	76.6	0	0	0	111.3	L476 S477 A483	L476-L480 PolarHBondContact O-N 3.11Å; S477-L480 PolarHBondContact O-N 3.45Å; L480-A483 PolarHBondContact O-N 2.88Å
481	I	39.1	Very low	37.7	Very low	88 Å²	88	90.5 Å²	90.5	45%	0.451	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-39.5	172.4	-68.2	162.4	0	0	0	111.3	S477 G478 A479 A483 A484 T493	S477-I481 WeakPolarHBondContact O-CD1 3.06Å; S477-I481 VanDerWaalsContact O-CG1 3.24Å; S477-I481 WeakPolarHBondContact O-CG1 3.26Å; S477-I481 PolarHBondContact O-N 3.23Å; G478-I481 PolarHBondContact O-N 2.98Å; A479-I481 VanDerWaalsContact C-N 3.33Å; I481-A483 VanDerWaalsContact C-N 3.27Å; I481-A483 PolarHBondContact O-N 3.28Å; I481-A484 WeakPolarHBondContact O-CB 3.21Å; I481-A484 PolarHBondContact O-N 2.7Å; I481-T493 HydrophobicContact CG2-CG2 4.34Å
482	S	35	Very low	37.7	Very low	84 Å²	84	88.1 Å²	88.1	59%	0.587	55%	0.548	S	S	*	.	H	α-helix	trans	-67.9	-23	179.1	-168.5	0	0	0	0	113.9	G478 A479 A484	G478-S482 WeakPolarHBondContact O-CB 3.27Å; G478-S482 PolarHBondContact O-N 3.09Å; A479-S482 WeakPolarHBondContact O-CB 3.43Å; A479-S482 PolarHBondContact O-N 3.13Å; S482-A484 VanDerWaalsContact C-N 3.33Å
483	A	36.2	Very low	38.5	Very low	85 Å²	85	88 Å²	88	70%	0.702	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.6	176.7	0	0	0	0	0	113.9	A479 L480 I481	A479-A483 PolarHBondContact O-N 3.21Å; A479-A483 VanDerWaalsContact O-N 3.13Å; L480-A483 PolarHBondContact O-N 2.88Å; I481-A483 VanDerWaalsContact C-N 3.27Å; I481-A483 PolarHBondContact O-N 3.28Å
484	A	36.7	Very low	39	Very low	59 Å²	59	89.1 Å²	89.1	49%	0.488	56%	0.558	S	S	.	*	S	Bend	trans	-73.8	137.8	173.9	0	0	0	0	0	111.1	I481 S482 K486	I481-A484 WeakPolarHBondContact O-CB 3.21Å; I481-A484 PolarHBondContact O-N 2.7Å; S482-A484 VanDerWaalsContact C-N 3.33Å; A484-K486 PolarHBondContact O-N 2.8Å
485	P	37.7	Very low	39.4	Very low	125 Å²	125	87.7 Å²	87.7	81%	0.812	55%	0.547	S	S	*	.			trans	-64	129.1	-177.5	24.9	-33.2	0	0	0	111.8	A487	P485-A487 PolarHBondContact O-N 2.83Å
486	K	31.8	Very low	39.9	Very low	200 Å²	200	84.1 Å²	84.1	87%	0.87	53%	0.53	S	S	*	.	S	Bend	trans	-69.1	85.7	-169.9	-64.8	167.5	-178.7	170.9	0	113.3	A484	A484-K486 PolarHBondContact O-N 2.8Å
487	A	31.4	Very low	40.3	Very low	80 Å²	80	84.9 Å²	84.9	66%	0.661	53%	0.534	S	S	*	.			trans	-150.7	133.3	163.3	0	0	0	0	0	109.9	P485	P485-A487 PolarHBondContact O-N 2.83Å
488	L	38.4	Very low	40.6	Very low	155 Å²	155	86 Å²	86	81%	0.812	53%	0.532	S	S	*	.			trans	65.1	133.3	-172	-86.6	61.3	0	0	0	115.5	D490	L488-D490 PolarHBondContact O-N 3.38Å
489	A	41.2	Very low	41.1	Very low	108 Å²	108	86.8 Å²	86.8	89%	0.893	53%	0.528	S	S	*	.			trans	-81.6	97.2	162.6	0	0	0	0	0	107.1
490	D	44.1	Very low	41.3	Very low	80 Å²	80	87.2 Å²	87.2	43%	0.428	53%	0.532	S	S	.	.			trans	-73.1	141.4	-172.3	-104.7	-26.6	0	0	0	112.4	L488 V492 T493 S494	L488-D490 PolarHBondContact O-N 3.38Å; D490-V492 HydrophobicContact CB-CB 4.35Å; D490-V492 HydrophobicContact CB-CG2 4.4Å; D490-V492 PolarHBondContact O-N 3.46Å; D490-V492 VanDerWaalsContact O-N 3.11Å; D490-T493 PolarHBondContact O-N 3.28Å; D490-S494 PolarHBondContact O-N 3.41Å
491	P	43.7	Very low	41.6	Very low	83 Å²	83	84.7 Å²	84.7	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-60.9	-21.5	174.5	26.7	-34.5	0	0	0	112.1	S494 L495	P491-S494 PolarHBondContact O-N 3.26Å; P491-L495 WeakPolarHBondContact O-CB 3.35Å; P491-L495 PolarHBondContact O-N 3.46Å
492	V	37.7	Very low	41.9	Very low	27 Å²	27	84.4 Å²	84.4	16%	0.164	52%	0.519	C	S	.	.	H	α-helix	trans	-58.5	-50.6	171.9	-171.8	0	0	0	0	110.9	L191 D490 S494 L495 V496	L191-V492 HydrophobicContact CD1-CG2 3.66Å; D490-V492 HydrophobicContact CB-CB 4.35Å; D490-V492 HydrophobicContact CB-CG2 4.4Å; D490-V492 PolarHBondContact O-N 3.46Å; D490-V492 VanDerWaalsContact O-N 3.11Å; V492-S494 VanDerWaalsContact C-N 3.31Å; V492-S494 PolarHBondContact O-N 2.92Å; V492-L495 PolarHBondContact O-N 3.41Å; V492-V496 HydrophobicContact CG1-CG2 4.46Å; V492-V496 WeakPolarHBondContact O-CB 3.25Å; V492-V496 VanDerWaalsContact O-CG2 3.29Å; V492-V496 WeakPolarHBondContact O-CG2 3.48Å; V492-V496 PolarHBondContact O-N 2.9Å
493	T	50	Low	42.3	Very low	53 Å²	53	84.9 Å²	84.9	33%	0.325	52%	0.519	S	S	.	.	H	α-helix	trans	-65.4	-38.6	-179.9	-46.1	0	0	0	0	110.8	I481 D490 L497	I481-T493 HydrophobicContact CG2-CG2 4.34Å; D490-T493 PolarHBondContact O-N 3.28Å; T493-L497 HydrophobicContact CG2-CD1 4.13Å; T493-L497 VanDerWaalsContact O-CB 3.3Å; T493-L497 WeakPolarHBondContact O-CB 3.3Å; T493-L497 VanDerWaalsContact O-CG 3.31Å; T493-L497 WeakPolarHBondContact O-CG 3.19Å; T493-L497 PolarHBondContact O-N 3.38Å
494	S	46.4	Very low	42.2	Very low	57 Å²	57	86 Å²	86	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-40	176.2	-155.5	0	0	0	0	112.1	D490 P491 V492 F498	D490-S494 PolarHBondContact O-N 3.41Å; P491-S494 PolarHBondContact O-N 3.26Å; V492-S494 VanDerWaalsContact C-N 3.31Å; V492-S494 PolarHBondContact O-N 2.92Å; S494-F498 WeakPolarHBondContact O-CB 3.38Å; S494-F498 PolarHBondContact O-N 2.93Å
495	L	48.5	Very low	41.9	Very low	68 Å²	68	93.1 Å²	93.1	36%	0.356	53%	0.527	S	S	.	.	H	α-helix	trans	-67.7	-44.4	176.4	-178.9	64.1	0	0	0	111.3	P491 V492 F498 L499	P491-L495 WeakPolarHBondContact O-CB 3.35Å; P491-L495 PolarHBondContact O-N 3.46Å; V492-L495 PolarHBondContact O-N 3.41Å; L495-F498 PolarHBondContact O-N 3.43Å; L495-L499 HydrophobicContact CD1-CD1 3.89Å; L495-L499 HydrophobicContact CD1-CG 4.11Å; L495-L499 HydrophobicContact CG-CD1 3.8Å; L495-L499 HydrophobicContact CG-CG 4.4Å; L495-L499 WeakPolarHBondContact O-CB 3.34Å; L495-L499 WeakPolarHBondContact O-CG 3.49Å; L495-L499 PolarHBondContact O-N 2.87Å
496	V	50.5	Low	41.9	Very low	45 Å²	45	92.2 Å²	92.2	27%	0.273	52%	0.52	S	S	.	.	H	α-helix	trans	-64.6	-45.2	177.1	171.9	0	0	0	0	111	V198 V492 F498 L499 A500	V198-V496 HydrophobicContact CG1-CG1 4.27Å; V198-V496 HydrophobicContact CG1-CG2 3.95Å; V492-V496 HydrophobicContact CG1-CG2 4.46Å; V492-V496 WeakPolarHBondContact O-CB 3.25Å; V492-V496 VanDerWaalsContact O-CG2 3.29Å; V492-V496 WeakPolarHBondContact O-CG2 3.48Å; V492-V496 PolarHBondContact O-N 2.9Å; V496-F498 VanDerWaalsContact C-N 3.33Å; V496-F498 PolarHBondContact O-N 2.94Å; V496-L499 PolarHBondContact O-N 3.4Å; V496-A500 WeakPolarHBondContact O-CB 3.21Å; V496-A500 PolarHBondContact O-N 3.42Å
497	L	48.9	Very low	42	Very low	107 Å²	107	86.3 Å²	86.3	56%	0.56	49%	0.494	S	S	*	.	H	α-helix	trans	-61	-41.2	173.4	-78.5	168.1	0	0	0	112.2	T493 S501	T493-L497 HydrophobicContact CG2-CD1 4.13Å; T493-L497 VanDerWaalsContact O-CB 3.3Å; T493-L497 WeakPolarHBondContact O-CB 3.3Å; T493-L497 VanDerWaalsContact O-CG 3.31Å; T493-L497 WeakPolarHBondContact O-CG 3.19Å; T493-L497 PolarHBondContact O-N 3.38Å; L497-S501 WeakPolarHBondContact O-CB 3.35Å; L497-S501 PolarHBondContact O-N 2.9Å; L497-S501 PolarHBondContact O-OG 3.47Å
498	F	44.9	Very low	42.2	Very low	73 Å²	73	86.3 Å²	86.3	32%	0.32	48%	0.482	S	S	.	.	H	α-helix	trans	-67.2	-41.8	179.8	176.7	-92.2	0	0	0	112.4	S494 L495 V496 R502	S494-F498 WeakPolarHBondContact O-CB 3.38Å; S494-F498 PolarHBondContact O-N 2.93Å; L495-F498 PolarHBondContact O-N 3.43Å; V496-F498 VanDerWaalsContact C-N 3.33Å; V496-F498 PolarHBondContact O-N 2.94Å; F498-R502 VanDerWaalsContact O-CB 3.26Å; F498-R502 WeakPolarHBondContact O-CB 3.47Å; F498-R502 VanDerWaalsContact O-CG 3.28Å; F498-R502 WeakPolarHBondContact O-CG 3.34Å; F498-R502 PolarHBondContact O-N 3.12Å
499	L	45.1	Very low	41.9	Very low	49 Å²	49	84.5 Å²	84.5	26%	0.257	47%	0.473	S	S	.	.	H	α-helix	trans	-71.2	-45.4	176.7	-67.5	169.2	0	0	0	111.1	F138 L495 V496 S501 R502 T503	F138-L499 HydrophobicContact CE1-CD1 3.85Å; F138-L499 HydrophobicContact CE1-CD2 3.77Å; F138-L499 HydrophobicContact CE1-CG 4.38Å; F138-L499 HydrophobicContact CZ-CD1 3.64Å; F138-L499 HydrophobicContact CZ-CD2 3.89Å; F138-L499 HydrophobicContact CZ-CG 4.42Å; L495-L499 HydrophobicContact CD1-CD1 3.89Å; L495-L499 HydrophobicContact CD1-CG 4.11Å; L495-L499 HydrophobicContact CG-CD1 3.8Å; L495-L499 HydrophobicContact CG-CG 4.4Å; L495-L499 WeakPolarHBondContact O-CB 3.34Å; L495-L499 WeakPolarHBondContact O-CG 3.49Å; L495-L499 PolarHBondContact O-N 2.87Å; V496-L499 PolarHBondContact O-N 3.4Å; L499-S501 VanDerWaalsContact C-N 3.25Å; L499-S501 PolarHBondContact O-N 2.96Å; L499-R502 PolarHBondContact O-N 3.29Å; L499-T503 PolarHBondContact O-N 3.31Å
500	A	43.6	Very low	41.6	Very low	64 Å²	64	84.7 Å²	84.7	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-64.8	-27.1	176.1	0	0	0	0	0	113.1	V496 T503	V496-A500 WeakPolarHBondContact O-CB 3.21Å; V496-A500 PolarHBondContact O-N 3.42Å; A500-T503 PolarHBondContact O-OG1 3.36Å
501	S	42.8	Very low	41	Very low	89 Å²	89	88.2 Å²	88.2	62%	0.622	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.2	172.8	-54.6	0	0	0	0	113.9	L497 L499	L497-S501 WeakPolarHBondContact O-CB 3.35Å; L497-S501 PolarHBondContact O-N 2.9Å; L497-S501 PolarHBondContact O-OG 3.47Å; L499-S501 VanDerWaalsContact C-N 3.25Å; L499-S501 PolarHBondContact O-N 2.96Å
502	R	44.9	Very low	40.4	Very low	82 Å²	82	88.9 Å²	88.9	31%	0.309	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	2.6	-176.8	-78	-172.6	173.9	-161.3	3.9	115.2	F498 L499 D504	F498-R502 VanDerWaalsContact O-CB 3.26Å; F498-R502 WeakPolarHBondContact O-CB 3.47Å; F498-R502 VanDerWaalsContact O-CG 3.28Å; F498-R502 WeakPolarHBondContact O-CG 3.34Å; F498-R502 PolarHBondContact O-N 3.12Å; L499-R502 PolarHBondContact O-N 3.29Å; R502-D504 PolarHBondContact O-N 2.91Å; R502-D504 VanDerWaalsContact O-N 3.17Å
503	T	43.1	Very low	40	Very low	94 Å²	94	91.6 Å²	91.6	58%	0.577	49%	0.487	S	S	*	.			trans	-61.3	-11	161	44	0	0	0	0	112.4	L499 A500 R505	L499-T503 PolarHBondContact O-N 3.31Å; A500-T503 PolarHBondContact O-OG1 3.36Å; T503-R505 PolarHBondContact O-N 2.87Å
504	D	34	Very low	38.9	Very low	109 Å²	109	97.3 Å²	97.3	58%	0.583	51%	0.507	S	S	*	.	S	Bend	trans	-80.6	91.8	170	-154.4	-80.7	0	0	0	113.7	R502 T506	R502-D504 PolarHBondContact O-N 2.91Å; R502-D504 VanDerWaalsContact O-N 3.17Å; D504-T506 VanDerWaalsContact C-N 3.29Å; D504-T506 PolarHBondContact O-N 3.1Å; D504-T506 PolarHBondContact O-OG1 3.46Å
505	R	31.8	Very low	38	Very low	208 Å²	208	100.4 Å²	100.4	79%	0.785	53%	0.526	S	S	*	.	S	Bend	trans	54.6	0.3	141.4	-51.4	-164.4	77.4	-164.3	3.9	121.8	T503 N509	T503-R505 PolarHBondContact O-N 2.87Å; R505-N509 PolarHBondContact O-ND2 3.21Å; R505-N509 VanDerWaalsContact O-ND2 3.07Å
506	T	36.6	Very low	37.1	Very low	106 Å²	106	105.9 Å²	105.9	65%	0.65	55%	0.55	S	S	*	.	S	Bend	trans	-117.2	-38.4	-177.3	50	0	0	0	0	114.7	D504 L508 N509	D504-T506 VanDerWaalsContact C-N 3.29Å; D504-T506 PolarHBondContact O-N 3.1Å; D504-T506 PolarHBondContact O-OG1 3.46Å; T506-L508 PolarHBondContact O-N 2.96Å; T506-N509 PolarHBondContact O-N 3.37Å
507	F	34.2	Very low	35.9	Very low	76 Å²	76	111 Å²	111	33%	0.333	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	-26.5	-170.4	-157.2	-112.2	0	0	0	114.4	Y13	Y13-F507 AromaticContact CD1-CE2 3.99Å; Y13-F507 HydrophobicContact CD1-CE2 3.99Å; Y13-F507 HydrophobicContact CE1-CD2 4.19Å; Y13-F507 AromaticContact CE1-CE2 3.71Å; Y13-F507 HydrophobicContact CE1-CE2 3.71Å
508	L	35.4	Very low	34.8	Very low	79 Å²	79	113.2 Å²	113.2	41%	0.414	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-20	179.2	-66.5	169.3	0	0	0	113.7	E142 T506 E510 F511 T512	E142-L508 HydrophobicContact CG-CD1 3.73Å; E142-L508 WeakPolarHBondContact OE1-CD1 3.48Å; E142-L508 WeakPolarHBondContact OE2-CD2 3.49Å; T506-L508 PolarHBondContact O-N 2.96Å; L508-E510 PolarHBondContact O-N 3.15Å; L508-F511 PolarHBondContact O-N 2.99Å; L508-T512 PolarHBondContact O-N 2.89Å
509	N	32.3	Very low	33.9	Very low	117 Å²	117	118.8 Å²	118.8	63%	0.626	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-16.6	178	-78	-42	0	0	0	113.2	R505 T506	R505-N509 PolarHBondContact O-ND2 3.21Å; R505-N509 VanDerWaalsContact O-ND2 3.07Å; T506-N509 PolarHBondContact O-N 3.37Å
510	E	34.8	Very low	33	Very low	113 Å²	113	121.8 Å²	121.8	53%	0.528	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.2	-19.6	173.6	-148.7	174.4	132	0	0	112.3	Y13 L508	Y13-E510 PolarHBondContact OH-OE2 3.17Å; L508-E510 PolarHBondContact O-N 3.15Å
511	F	31.4	Very low	32.2	Very low	154 Å²	154	125.5 Å²	125.5	68%	0.675	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-10.4	173.6	-98.8	-100.8	0	0	0	113.7	L508	L508-F511 PolarHBondContact O-N 2.99Å
512	T	31.2	Very low	31.5	Very low	96 Å²	96	132 Å²	132	59%	0.589	64%	0.642	S	S	*	*			trans	-100.1	84.5	177.6	-168.6	0	0	0	0	113.4	L508	L508-T512 PolarHBondContact O-N 2.89Å
513	V	29.1	Very low	30.8	Very low	85 Å²	85	136.7 Å²	136.7	52%	0.515	67%	0.665	S	S	.	*			trans	-142	113.9	176	179.4	0	0	0	0	107.7
514	K	26.4	Very low	30.2	Very low	173 Å²	173	137.9 Å²	137.9	75%	0.752	68%	0.677	S	S	*	*			cis	-145.7	152.1	2.9	-87.7	145.9	178.3	168.9	0	108.5
515	P	28	Very low	30.1	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	69%	0.685	S	S	*	*			trans	-63.4	134.2	150.7	-9.5	25.5	0	0	0	109	H517	P515-H517 PolarHBondContact O-N 3.27Å; P515-H517 VanDerWaalsContact O-N 3.11Å
516	Q	29.2	Very low	30.1	Very low	182 Å²	182	134 Å²	134	85%	0.85	69%	0.689	S	S	*	*			trans	-70.3	107.7	174.2	-79.5	-79.4	-19	0	0	110.2
517	H	26	Very low	29.9	Very low	152 Å²	152	132.8 Å²	132.8	70%	0.704	69%	0.69	S	S	*	*			trans	53.4	98.5	138.6	-169.1	-86.1	0	0	0	118.7	P515	P515-H517 PolarHBondContact O-N 3.27Å; P515-H517 VanDerWaalsContact O-N 3.11Å
518	M	25.7	Very low	30	Very low	155 Å²	155	134 Å²	134	76%	0.764	71%	0.707	S	S	*	*				-171.3	152.8	125.1	-90.9	-110.9	68	0	0	112.2
519	Y	25.5	Very low	30.3	Very low	190 Å²	190	135.9 Å²	135.9	75%	0.745	72%	0.722	S	S	*	*			trans	67.6	77.3	169.1	-119.9	-91.2	0	0	0	119.2	Q521	Y519-Q521 HydrophobicContact CE1-CB 4.49Å
520	S	26	Very low	30.5	Very low	112 Å²	112	139 Å²	139	78%	0.783	73%	0.733	S	S	*	*			trans	-93.2	124.1	150.5	168.7	0	0	0	0	109.1
521	Q	28.5	Very low	30.6	Very low	141 Å²	141	138.6 Å²	138.6	66%	0.659	74%	0.742	S	S	*	*			trans	-151.7	121.4	150.1	-117.3	168.6	26.7	0	0	112.2	Y519	Y519-Q521 HydrophobicContact CE1-CB 4.49Å
522	R	27.2	Very low	31.1	Very low	225 Å²	225	134.7 Å²	134.7	85%	0.849	75%	0.746	S	S	*	*			trans	-72.3	145	169	-68.7	170.3	168.8	149.6	-5.6	109.6
523	F	31.5	Very low	31.4	Very low	182 Å²	182	138 Å²	138	80%	0.798	76%	0.76	S	S	*	*			trans	-129.6	121.1	143.1	-80.9	-79.5	0	0	0	110.1
524	S	29.6	Very low	32	Very low	119 Å²	119	137.5 Å²	137.5	83%	0.832	77%	0.773	S	S	*	*			trans	-152.1	134.1	169.5	-62.4	0	0	0	0	106.5
525	G	31.2	Very low	32.6	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	77%	0.773	S	S	*	*			trans	98.4	140.5	-160.7	0	0	0	0	0	110.6
526	D	31.5	Very low	33.1	Very low	163 Å²	163	133 Å²	133	87%	0.872	77%	0.77	S	S	*	*			cis	-145	-178.8	16.4	-144.9	-62.2	0	0	0	112.4
527	A	33.9	Very low	33.6	Very low	80 Å²	80	130.9 Å²	130.9	66%	0.661	77%	0.77	S	S	*	*			trans	-68	-177.3	176	0	0	0	0	0	112.1
528	S	34.7	Very low	34.4	Very low	101 Å²	101	126.7 Å²	126.7	71%	0.706	77%	0.767	S	S	*	*			cis	-177.5	143.1	40.1	-148.1	0	0	0	0	112.6
529	V	41.8	Very low	35.4	Very low	119 Å²	119	126.5 Å²	126.5	72%	0.721	77%	0.769	S	S	*	*				67	147.7	128.3	167.9	0	0	0	0	123
530	E	37.3	Very low	36.7	Very low	184 Å²	184	124.8 Å²	124.8	86%	0.86	77%	0.768	S	S	*	*			trans	68.6	154.6	170.3	-83.2	-176.2	77.9	0	0	118.7
531	S	37.8	Very low	37.8	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	77%	0.768	S	S	*	*			cis	-178.1	152.9	-36.8	-176.4	0	0	0	0	106.7
532	G	40.9	Very low	38.6	Very low	73 Å²	73	124.1 Å²	124.1	75%	0.753	77%	0.772	S	S	*	*			trans	159	87.5	174.5	0	0	0	0	0	115.6
533	D	38.4	Very low	40	Very low	164 Å²	164	120.6 Å²	120.6	88%	0.877	77%	0.769	S	S	*	*			trans	-66.5	157.7	174.6	-59.5	-87.9	0	0	0	114.2
534	G	41.2	Very low	40.9	Very low	76 Å²	76	119.9 Å²	119.9	78%	0.784	77%	0.768	S	S	*	*			trans	-177.3	65.6	177.3	0	0	0	0	0	115.7
535	A	38.3	Very low	42.1	Very low	93 Å²	93	121.5 Å²	121.5	77%	0.769	77%	0.767	S	S	*	*			trans	-64.8	163.8	155.1	0	0	0	0	0	109.2
536	C	38.3	Very low	43.3	Very low	108 Å²	108	122.3 Å²	122.3	73%	0.73	76%	0.755	S	S	*	*				-165.2	156.6	50.8	-59.8	0	0	0	0	112.9
537	T	40.1	Very low	44.3	Very low	137 Å²	137	123.9 Å²	123.9	84%	0.84	75%	0.749	S	S	*	*			trans	49.2	124.6	138.6	55.6	0	0	0	0	122.8
538	G	42.8	Very low	44.9	Very low	63 Å²	63	128.6 Å²	128.6	65%	0.649	76%	0.757	S	S	*	*			trans	97.8	149.4	135.1	0	0	0	0	0	116.6
539	D	46.9	Very low	45.9	Very low	151 Å²	151	132.7 Å²	132.7	81%	0.807	76%	0.762	S	S	*	*			cis	-169	165.9	-8.6	-104.8	-44.6	0	0	0	108.3
540	E	53.5	Low	46	Very low	155 Å²	155	136 Å²	136	72%	0.724	77%	0.767	S	S	*	*			trans	72.9	119.3	150.3	-65.7	-87.5	79.4	0	0	122.4
541	E	49.4	Very low	46.7	Very low	167 Å²	167	132.5 Å²	132.5	78%	0.78	76%	0.76	S	S	*	*				86.5	121.6	129	-59.2	-81.4	-141.9	0	0	123.4
542	G	44.2	Very low	47.4	Very low	71 Å²	71	132.8 Å²	132.8	73%	0.732	76%	0.759	S	S	*	*			trans	88.4	145.9	158.7	0	0	0	0	0	117.7
543	L	57.2	Low	47.4	Very low	152 Å²	152	139.5 Å²	139.5	80%	0.796	77%	0.768	S	S	*	*			cis	-160.1	131.6	-7.1	-175.8	64.2	0	0	0	107.9
544	E	50.5	Low	47.4	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	76%	0.763	S	S	*	*			trans	-20.2	136	166.5	57.4	-153.5	79.5	0	0	119.9
545	D	54.1	Low	47.5	Very low	152 Å²	152	147.6 Å²	147.6	81%	0.813	77%	0.767	S	S	*	*				175	154.6	108.3	-164.6	-146.9	0	0	0	115.3
546	D	56.6	Low	48.3	Very low	89 Å²	89	146.5 Å²	146.5	48%	0.476	77%	0.765	S	S	.	*			trans	59.1	101.7	155.9	-125.5	-127.4	0	0	0	124.5
547	R	53.1	Low	49.9	Very low	197 Å²	197	148.5 Å²	148.5	74%	0.743	77%	0.767	S	S	*	*			trans	72.5	108.8	131.4	-71.9	-179.2	-169.5	122.4	3.3	122.3	K549	R547-K549 PolarHBondContact O-N 3.06Å
548	E	45.4	Very low	51.7	Low	178 Å²	178	144.1 Å²	144.1	83%	0.832	74%	0.736	S	S	*	*			trans	-51.2	119.1	152.9	-66.7	-179.7	93.9	0	0	113.8
549	K	55.2	Low	53.7	Low	188 Å²	188	145 Å²	145	82%	0.817	73%	0.731	S	S	*	*			trans	-130	103.9	151.6	-78.8	176.6	-179	163.5	0	108.9	R547 P551	R547-K549 PolarHBondContact O-N 3.06Å; K549-P551 WeakPolarHBondContact O-CD 3.35Å
550	K	45.9	Very low	55.5	Low	189 Å²	189	146.4 Å²	146.4	82%	0.822	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-51.5	117.3	-179.5	-74.5	169.5	177.1	165.5	0	110.9
551	P	50.1	Low	57.1	Low	109 Å²	109	143.9 Å²	143.9	71%	0.708	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-72.1	138.9	178.4	28.2	-33.2	0	0	0	110.6	K549	K549-P551 WeakPolarHBondContact O-CD 3.35Å
552	P	53.6	Low	58.9	Low	109 Å²	109	136 Å²	136	71%	0.708	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-63.9	144.1	174.7	27.3	-34.1	0	0	0	110.3	K554	P552-K554 PolarHBondContact O-N 3.35Å
553	K	39.9	Very low	60.9	Low	215 Å²	215	133.8 Å²	133.8	94%	0.935	66%	0.66	S	S	*	*			trans	-58.7	93.7	-179.9	-67.1	176.5	179.2	178.1	0	110.6	R555	K553-R555 PolarHBondContact O-N 3.44Å
554	K	39.3	Very low	62.4	Low	179 Å²	179	130.5 Å²	130.5	78%	0.778	64%	0.643	S	S	*	*			trans	-64.8	103.7	174.2	-73.2	177	178.9	175	0	108.3	P552 G556	P552-K554 PolarHBondContact O-N 3.35Å; K554-G556 PolarHBondContact O-N 3.46Å
555	R	43.5	Very low	64.2	Low	231 Å²	231	125 Å²	125	87%	0.872	62%	0.618	S	S	*	*			trans	-53	133.7	168.5	-133.6	170.9	-68	-158.7	0.3	107.6	K553 I557	K553-R555 PolarHBondContact O-N 3.44Å; R555-I557 PolarHBondContact O-N 3.01Å
556	G	54	Low	65.8	Low	70 Å²	70	117.7 Å²	117.7	72%	0.722	58%	0.58	S	S	*	*			trans	-53.8	106.8	-161.3	0	0	0	0	0	113.8	K554	K554-G556 PolarHBondContact O-N 3.46Å
557	I	72	Confident	67	Low	149 Å²	149	117.7 Å²	117.7	76%	0.764	57%	0.573	S	S	*	*			trans	-91.3	110.5	170.3	-67.6	153.5	0	0	0	106.1	R555	R555-I557 PolarHBondContact O-N 3.01Å
558	F	79.1	Confident	68.7	Low	46 Å²	46	110.5 Å²	110.5	20%	0.202	56%	0.556	C	S	.	*			trans	-63.2	157.6	174.3	-63.2	-63.2	0	0	0	111.1	A562 T563 M566 L593 Q597 W601	F558-A562 HydrophobicContact CB-CB 4.39Å; F558-T563 PolarHBondContact O-OG1 2.98Å; F558-M566 HydrophobicContact CB-CE 4.28Å; F558-M566 HydrophobicContact CD2-CE 3.62Å; F558-M566 HydrophobicContact CE2-CE 4.11Å; F558-M566 HydrophobicContact CG-CE 4.01Å; F558-L593 HydrophobicContact CD1-CD1 3.6Å; F558-L593 HydrophobicContact CD1-CD2 3.61Å; F558-L593 HydrophobicContact CD1-CG 4.28Å; F558-L593 HydrophobicContact CE1-CD1 3.83Å; F558-L593 HydrophobicContact CE1-CD2 4.03Å; F558-L593 HydrophobicContact CG-CD1 3.99Å; F558-L593 HydrophobicContact CZ-CD1 4.39Å; F558-Q597 HydrophobicContact CE1-CB 3.88Å; F558-Q597 HydrophobicContact CE1-CG 4.09Å; F558-Q597 HydrophobicContact CZ-CB 4.23Å; F558-W601 HydrophobicContact CE2-CB 3.93Å; F558-W601 HydrophobicContact CE2-CG 4.27Å; F558-W601 HydrophobicContact CZ-CB 4.36Å
559	P	85.3	Confident	70.7	Confident	82 Å²	82	103.1 Å²	103.1	53%	0.532	52%	0.52	S	S	.	.			trans	-50	146.9	171.4	-27.1	35.3	0	0	0	111.8	V561 A562 T563	P559-V561 PolarHBondContact O-N 3.43Å; P559-A562 HydrophobicContact CB-CB 4.22Å; P559-A562 HydrophobicContact CG-CB 4.47Å; P559-A562 PolarHBondContact O-N 3.38Å; P559-T563 WeakPolarHBondContact O-CB 3.45Å; P559-T563 PolarHBondContact O-N 3.16Å; P559-T563 PolarHBondContact O-OG1 3.29Å
560	K	83.2	Confident	72.2	Confident	179 Å²	179	95.5 Å²	95.5	78%	0.778	49%	0.488	S	S	*	.	H	α-helix	trans	-55.5	-41	-179.8	-71.5	-174.5	177.1	-175.5	0	112	T563 N564	K560-T563 PolarHBondContact O-N 2.83Å; K560-N564 WeakPolarHBondContact O-CB 3.3Å; K560-N564 PolarHBondContact O-N 3.02Å; K560-N564 PolarHBondContact O-OD1 3.46Å
561	V	86.7	Confident	73.9	Confident	103 Å²	103	91 Å²	91	62%	0.624	47%	0.469	S	S	*	.	H	α-helix	trans	-60.4	-54.8	177.1	-179	0	0	0	0	111	P559 T563 N564 I565	P559-V561 PolarHBondContact O-N 3.43Å; V561-T563 VanDerWaalsContact C-N 3.29Å; V561-T563 PolarHBondContact O-N 3.38Å; V561-N564 PolarHBondContact O-N 3.44Å; V561-N564 VanDerWaalsContact O-N 3.09Å; V561-I565 HydrophobicContact CG1-CD1 3.96Å; V561-I565 WeakPolarHBondContact O-CG1 3.33Å; V561-I565 PolarHBondContact O-N 2.95Å
562	A	88.8	Confident	75.5	Confident	1 Å²	1	92.9 Å²	92.9	1%	0.008	47%	0.468	C	S	.	.	H	α-helix	trans	-55	-45.1	175.8	0	0	0	0	0	112.3	F558 P559 N564 I565 M566 T591 L593	F558-A562 HydrophobicContact CB-CB 4.39Å; P559-A562 HydrophobicContact CB-CB 4.22Å; P559-A562 HydrophobicContact CG-CB 4.47Å; P559-A562 PolarHBondContact O-N 3.38Å; A562-N564 VanDerWaalsContact C-N 3.33Å; A562-N564 PolarHBondContact O-N 3.28Å; A562-I565 PolarHBondContact O-N 3.41Å; A562-M566 WeakPolarHBondContact O-CG 3.42Å; A562-M566 PolarHBondContact O-N 2.87Å; A562-T591 HydrophobicContact CB-CG2 4.14Å; A562-L593 HydrophobicContact CB-CD1 4.07Å; A562-L593 HydrophobicContact CB-CG 4.23Å
563	T	86.4	Confident	76.7	Confident	25 Å²	25	90 Å²	90	15%	0.153	45%	0.446	C	S	.	.	H	α-helix	trans	-62.6	-39.3	178.1	-52.3	0	0	0	0	111.9	F558 P559 K560 V561 R567	F558-T563 PolarHBondContact O-OG1 2.98Å; P559-T563 WeakPolarHBondContact O-CB 3.45Å; P559-T563 PolarHBondContact O-N 3.16Å; P559-T563 PolarHBondContact O-OG1 3.29Å; K560-T563 PolarHBondContact O-N 2.83Å; V561-T563 VanDerWaalsContact C-N 3.29Å; V561-T563 PolarHBondContact O-N 3.38Å; T563-R567 VanDerWaalsContact CG2-CZ 3.43Å; T563-R567 VanDerWaalsContact O-CB 3.27Å; T563-R567 WeakPolarHBondContact O-CB 3.18Å; T563-R567 WeakPolarHBondContact O-CG 3.11Å; T563-R567 PolarHBondContact O-N 3.38Å
564	N	87.6	Confident	78.5	Confident	83 Å²	83	81.4 Å²	81.4	44%	0.444	41%	0.41	S	S	.	.	H	α-helix	trans	-69.7	-40.7	178.6	-72.9	-1	0	0	0	111.7	K560 V561 A562 R567 A568	K560-N564 WeakPolarHBondContact O-CB 3.3Å; K560-N564 PolarHBondContact O-N 3.02Å; K560-N564 PolarHBondContact O-OD1 3.46Å; V561-N564 PolarHBondContact O-N 3.44Å; V561-N564 VanDerWaalsContact O-N 3.09Å; A562-N564 VanDerWaalsContact C-N 3.33Å; A562-N564 PolarHBondContact O-N 3.28Å; N564-R567 PolarHBondContact O-N 2.72Å; N564-A568 VanDerWaalsContact O-CB 3.3Å; N564-A568 WeakPolarHBondContact O-CB 3.17Å; N564-A568 PolarHBondContact O-N 2.91Å
565	I	89.4	Confident	80	Confident	50 Å²	50	78.8 Å²	78.8	26%	0.256	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-51.4	175.7	-66.5	165.3	0	0	0	110.5	V561 A562 R567 A568 W569 L587 D590 T591	V561-I565 HydrophobicContact CG1-CD1 3.96Å; V561-I565 WeakPolarHBondContact O-CG1 3.33Å; V561-I565 PolarHBondContact O-N 2.95Å; A562-I565 PolarHBondContact O-N 3.41Å; I565-R567 VanDerWaalsContact C-N 3.32Å; I565-R567 PolarHBondContact O-N 3.23Å; I565-A568 PolarHBondContact O-N 3.38Å; I565-A568 VanDerWaalsContact O-N 3.14Å; I565-W569 PolarHBondContact O-N 3.31Å; I565-L587 HydrophobicContact CG2-CD2 4.2Å; I565-D590 HydrophobicContact CD1-CB 4.32Å; I565-D590 VanDerWaalsContact CD1-O 3.24Å; I565-D590 WeakPolarHBondContact CD1-O 3.33Å; I565-D590 HydrophobicContact CG2-CB 3.96Å; I565-T591 HydrophobicContact CB-CG2 4.01Å; I565-T591 HydrophobicContact CG2-CG2 3.85Å
566	M	86.9	Confident	81.2	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.3	-36.7	179.2	-65.9	-173.1	-61.2	0	0	112.2	F558 A562 L570 L587 T591 L593 W601	F558-M566 HydrophobicContact CB-CE 4.28Å; F558-M566 HydrophobicContact CD2-CE 3.62Å; F558-M566 HydrophobicContact CE2-CE 4.11Å; F558-M566 HydrophobicContact CG-CE 4.01Å; A562-M566 WeakPolarHBondContact O-CG 3.42Å; A562-M566 PolarHBondContact O-N 2.87Å; M566-L570 WeakPolarHBondContact O-CB 3.32Å; M566-L570 PolarHBondContact O-N 3.33Å; M566-L587 HydrophobicContact CG-CD2 4.43Å; M566-T591 HydrophobicContact CG-CG2 3.66Å; M566-T591 HydrophobicContact SD-CG2 4.28Å; M566-L593 HydrophobicContact CE-CD1 3.7Å; M566-L593 HydrophobicContact SD-CD1 3.82Å; M566-W601 HydrophobicContact CB-CD2 4.03Å; M566-W601 HydrophobicContact CB-CE3 4.18Å; M566-W601 HydrophobicContact CB-CH2 3.72Å; M566-W601 HydrophobicContact CB-CZ2 3.56Å; M566-W601 HydrophobicContact CB-CZ3 4.02Å; M566-W601 HydrophobicContact CE-CD2 4.25Å; M566-W601 HydrophobicContact CE-CG 4Å; M566-W601 HydrophobicContact CG-CD2 4.31Å; M566-W601 HydrophobicContact CG-CE3 4.29Å; M566-W601 HydrophobicContact CG-CZ3 4.41Å; M566-W601 VanDerWaalsContact O-CH2 3.22Å; M566-W601 WeakPolarHBondContact O-CH2 3.41Å; M566-W601 HydrophobicContact SD-CB 4.25Å; M566-W601 HydrophobicContact SD-CD2 3.63Å; M566-W601 HydrophobicContact SD-CE3 3.87Å; M566-W601 HydrophobicContact SD-CG 3.76Å
567	R	82.5	Confident	82.4	Confident	88 Å²	88	70 Å²	70	33%	0.332	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-42.7	171.4	-77.5	173.4	179.3	158.1	-1.2	112.8	M228 T563 N564 I565 W569 L570 F571	M228-R567 HydrophobicContact CE-CG 4.43Å; T563-R567 VanDerWaalsContact CG2-CZ 3.43Å; T563-R567 VanDerWaalsContact O-CB 3.27Å; T563-R567 WeakPolarHBondContact O-CB 3.18Å; T563-R567 WeakPolarHBondContact O-CG 3.11Å; T563-R567 PolarHBondContact O-N 3.38Å; N564-R567 PolarHBondContact O-N 2.72Å; I565-R567 VanDerWaalsContact C-N 3.32Å; I565-R567 PolarHBondContact O-N 3.23Å; R567-W569 VanDerWaalsContact C-N 3.32Å; R567-L570 WeakPolarHBondContact O-CB 3.4Å; R567-L570 PolarHBondContact O-N 2.85Å; R567-F571 WeakPolarHBondContact O-CB 3.43Å; R567-F571 WeakPolarHBondContact O-CD2 3.48Å; R567-F571 PolarHBondContact O-N 3.41Å
568	A	87.1	Confident	82.7	Confident	47 Å²	47	69.5 Å²	69.5	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-42.8	177.7	0	0	0	0	0	110.8	N564 I565 F571 Q572	N564-A568 VanDerWaalsContact O-CB 3.3Å; N564-A568 WeakPolarHBondContact O-CB 3.17Å; N564-A568 PolarHBondContact O-N 2.91Å; I565-A568 PolarHBondContact O-N 3.38Å; I565-A568 VanDerWaalsContact O-N 3.14Å; A568-F571 PolarHBondContact O-N 3.34Å; A568-Q572 WeakPolarHBondContact O-CG 3.43Å; A568-Q572 PolarHBondContact O-N 2.88Å
569	W	88.9	Confident	82.8	Confident	22 Å²	22	68.2 Å²	68.2	8%	0.083	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-48.4	171.8	-174.7	91.8	0	0	0	111.5	I565 R567 F571 Q572 H573 P579 L587 W601	I565-W569 PolarHBondContact O-N 3.31Å; R567-W569 VanDerWaalsContact C-N 3.32Å; W569-F571 VanDerWaalsContact C-N 3.31Å; W569-F571 PolarHBondContact O-N 3.44Å; W569-Q572 PolarHBondContact O-N 3.24Å; W569-H573 AromaticContact CD1-CE1 3.54Å; W569-H573 AromaticContact CD1-ND1 3.63Å; W569-H573 HydrophobicContact CD2-CB 4.42Å; W569-H573 AromaticContact CD2-ND1 3.63Å; W569-H573 AromaticContact CE2-CD2 3.95Å; W569-H573 AromaticContact CE2-CE1 3.6Å; W569-H573 AromaticContact CE2-CG 3.56Å; W569-H573 AromaticContact CE2-ND1 3.31Å; W569-H573 VanDerWaalsContact CE2-ND1 3.31Å; W569-H573 AromaticContact CE2-NE2 3.96Å; W569-H573 HydrophobicContact CE3-CB 4.35Å; W569-H573 AromaticContact CG-ND1 3.77Å; W569-H573 HydrophobicContact CH2-CB 3.67Å; W569-H573 AromaticContact CH2-CG 3.87Å; W569-H573 HydrophobicContact CZ2-CB 3.79Å; W569-H573 AromaticContact CZ2-CD2 3.64Å; W569-H573 AromaticContact CZ2-CG 3.43Å; W569-H573 VanDerWaalsContact CZ2-CG 3.43Å; W569-H573 AromaticContact CZ2-ND1 3.72Å; W569-H573 HydrophobicContact CZ3-CB 4Å; W569-H573 AromaticContact NE1-CE1 3.19Å; W569-H573 PolarHBondContact NE1-CE1 3.3Å; W569-H573 AromaticContact NE1-CG 3.98Å; W569-H573 AromaticContact NE1-ND1 3.37Å; W569-H573 PolarHBondContact NE1-ND1 3.14Å; W569-H573 AromaticContact NE1-NE2 3.68Å; W569-H573 WeakPolarHBondContact O-CB 3.36Å; W569-H573 PolarHBondContact O-N 3.46Å; W569-H573 PolarHBondContact O-ND1 3.37Å; W569-P579 HydrophobicContact CH2-CB 3.59Å; W569-P579 HydrophobicContact CH2-CG 3.98Å; W569-P579 HydrophobicContact CZ2-CB 3.51Å; W569-P579 HydrophobicContact CZ2-CG 4.36Å; W569-P579 HydrophobicContact CZ3-CB 4.2Å; W569-P579 HydrophobicContact CZ3-CG 4.17Å; W569-L587 HydrophobicContact CB-CD2 3.78Å; W569-L587 HydrophobicContact CD2-CD1 3.93Å; W569-L587 HydrophobicContact CE3-CD1 4.32Å; W569-L587 HydrophobicContact CG-CD1 4Å; W569-L587 HydrophobicContact CG-CD2 3.84Å; W569-L587 HydrophobicContact CG-CG 4.29Å; W569-W601 HydrophobicContact CE3-CH2 4.39Å; W569-W601 HydrophobicContact CE3-CZ3 4.45Å
570	L	85.8	Confident	82.8	Confident	28 Å²	28	67.1 Å²	67.1	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-40.6	176.1	179.7	63.1	0	0	0	112.3	M566 R567 H573 L574 P577 W601	M566-L570 WeakPolarHBondContact O-CB 3.32Å; M566-L570 PolarHBondContact O-N 3.33Å; R567-L570 WeakPolarHBondContact O-CB 3.4Å; R567-L570 PolarHBondContact O-N 2.85Å; L570-H573 CarbonylContact O-C 3.59Å; L570-H573 VanDerWaalsContact O-C 3.3Å; L570-H573 PolarHBondContact O-N 2.69Å; L570-L574 WeakPolarHBondContact O-CA 3.31Å; L570-L574 WeakPolarHBondContact O-CG 3.4Å; L570-L574 PolarHBondContact O-N 2.85Å; L570-P577 HydrophobicContact CD1-CB 3.45Å; L570-P577 VanDerWaalsContact CD1-CB 3.45Å; L570-W601 HydrophobicContact CB-CH2 4.14Å; L570-W601 HydrophobicContact CB-CZ2 4.43Å
571	F	81.6	Confident	82.9	Confident	94 Å²	94	65.4 Å²	65.4	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-65.4	-40.9	176.6	-87	-65.3	0	0	0	112.5	M228 R567 A568 W569 H573 L574	M228-F571 HydrophobicContact CE-CD2 4.22Å; M228-F571 HydrophobicContact CE-CE1 4.25Å; M228-F571 HydrophobicContact CE-CE2 3.36Å; M228-F571 HydrophobicContact CE-CZ 3.38Å; R567-F571 WeakPolarHBondContact O-CB 3.43Å; R567-F571 WeakPolarHBondContact O-CD2 3.48Å; R567-F571 PolarHBondContact O-N 3.41Å; A568-F571 PolarHBondContact O-N 3.34Å; W569-F571 VanDerWaalsContact C-N 3.31Å; W569-F571 PolarHBondContact O-N 3.44Å; F571-H573 VanDerWaalsContact C-N 3.34Å; F571-L574 HydrophobicContact CD1-CD1 3.69Å; F571-L574 HydrophobicContact CE1-CD1 4.35Å
572	Q	83.2	Confident	83.1	Confident	149 Å²	149	65.9 Å²	65.9	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-66.8	-36	174.6	-71.6	170.9	-9.7	0	0	112	A568 W569	A568-Q572 WeakPolarHBondContact O-CG 3.43Å; A568-Q572 PolarHBondContact O-N 2.88Å; W569-Q572 PolarHBondContact O-N 3.24Å
573	H	80.4	Confident	83.2	Confident	50 Å²	50	69 Å²	69	23%	0.231	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	30.6	-176.9	-56.8	77.9	0	0	0	112.1	W569 L570 F571 T575 H576 Q583	W569-H573 AromaticContact CD1-CE1 3.54Å; W569-H573 AromaticContact CD1-ND1 3.63Å; W569-H573 HydrophobicContact CD2-CB 4.42Å; W569-H573 AromaticContact CD2-ND1 3.63Å; W569-H573 AromaticContact CE2-CD2 3.95Å; W569-H573 AromaticContact CE2-CE1 3.6Å; W569-H573 AromaticContact CE2-CG 3.56Å; W569-H573 AromaticContact CE2-ND1 3.31Å; W569-H573 VanDerWaalsContact CE2-ND1 3.31Å; W569-H573 AromaticContact CE2-NE2 3.96Å; W569-H573 HydrophobicContact CE3-CB 4.35Å; W569-H573 AromaticContact CG-ND1 3.77Å; W569-H573 HydrophobicContact CH2-CB 3.67Å; W569-H573 AromaticContact CH2-CG 3.87Å; W569-H573 HydrophobicContact CZ2-CB 3.79Å; W569-H573 AromaticContact CZ2-CD2 3.64Å; W569-H573 AromaticContact CZ2-CG 3.43Å; W569-H573 VanDerWaalsContact CZ2-CG 3.43Å; W569-H573 AromaticContact CZ2-ND1 3.72Å; W569-H573 HydrophobicContact CZ3-CB 4Å; W569-H573 AromaticContact NE1-CE1 3.19Å; W569-H573 PolarHBondContact NE1-CE1 3.3Å; W569-H573 AromaticContact NE1-CG 3.98Å; W569-H573 AromaticContact NE1-ND1 3.37Å; W569-H573 PolarHBondContact NE1-ND1 3.14Å; W569-H573 AromaticContact NE1-NE2 3.68Å; W569-H573 WeakPolarHBondContact O-CB 3.36Å; W569-H573 PolarHBondContact O-N 3.46Å; W569-H573 PolarHBondContact O-ND1 3.37Å; L570-H573 CarbonylContact O-C 3.59Å; L570-H573 VanDerWaalsContact O-C 3.3Å; L570-H573 PolarHBondContact O-N 2.69Å; F571-H573 VanDerWaalsContact C-N 3.34Å; H573-T575 PolarHBondContact O-N 3.16Å; H573-H576 CarbonylContact O-C 3.55Å; H573-H576 PolarHBondContact O-N 3.38Å; H573-Q583 PolarHBondContact NE2-NE2 3.03Å
574	L	77.3	Confident	83.4	Confident	34 Å²	34	70.5 Å²	70.5	18%	0.178	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.8	-176.6	-104.2	169.9	0	0	0	113.8	I221 K225 L570 F571	I221-L574 VanDerWaalsContact CD1-O 3.22Å; I221-L574 WeakPolarHBondContact CD1-O 3.27Å; I221-L574 VanDerWaalsContact CG1-O 3.3Å; I221-L574 WeakPolarHBondContact CG1-O 3.37Å; I221-L574 HydrophobicContact CG2-CD2 4.14Å; I221-L574 VanDerWaalsContact CG2-O 3.25Å; I221-L574 WeakPolarHBondContact CG2-O 3.47Å; K225-L574 HydrophobicContact CG-CD1 4.3Å; K225-L574 HydrophobicContact CG-CD2 4Å; L570-L574 WeakPolarHBondContact O-CA 3.31Å; L570-L574 WeakPolarHBondContact O-CG 3.4Å; L570-L574 PolarHBondContact O-N 2.85Å; F571-L574 HydrophobicContact CD1-CD1 3.69Å; F571-L574 HydrophobicContact CE1-CD1 4.35Å
575	T	69.5	Low	83.6	Confident	123 Å²	123	69.4 Å²	69.4	76%	0.755	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-29.8	174.2	45.8	0	0	0	0	112.9	H573	H573-T575 PolarHBondContact O-N 3.16Å
576	H	70.7	Confident	83.8	Confident	88 Å²	88	71.3 Å²	71.3	41%	0.407	35%	0.349	S	S	.	.			trans	-144.4	77.3	-177.8	-168.2	-86.7	0	0	0	110.5	H573 Y578	H573-H576 CarbonylContact O-C 3.55Å; H573-H576 PolarHBondContact O-N 3.38Å; H576-Y578 PolarHBondContact ND1-O 3.05Å; H576-Y578 PolarHBondContact O-N 3.05Å
577	P	78	Confident	84	Confident	29 Å²	29	71.5 Å²	71.5	19%	0.188	35%	0.35	C	S	.	.			trans	-77.2	32.2	-171	34.3	-39	0	0	0	113.7	L570	L570-P577 HydrophobicContact CD1-CB 3.45Å; L570-P577 VanDerWaalsContact CD1-CB 3.45Å
578	Y	78.1	Confident	84.5	Confident	138 Å²	138	67.8 Å²	67.8	54%	0.541	34%	0.338	S	S	.	.			trans	-118.5	98.7	179.2	-61.7	-81	0	0	0	109	H576	H576-Y578 PolarHBondContact ND1-O 3.05Å; H576-Y578 PolarHBondContact O-N 3.05Å
579	P	81	Confident	84.8	Confident	20 Å²	20	72 Å²	72	13%	0.13	35%	0.35	C	S	.	.			trans	-67.9	137.4	-179.5	23.5	-29.3	0	0	0	110.7	W569 Q583 K584 L587	W569-P579 HydrophobicContact CH2-CB 3.59Å; W569-P579 HydrophobicContact CH2-CG 3.98Å; W569-P579 HydrophobicContact CZ2-CB 3.51Å; W569-P579 HydrophobicContact CZ2-CG 4.36Å; W569-P579 HydrophobicContact CZ3-CB 4.2Å; W569-P579 HydrophobicContact CZ3-CG 4.17Å; P579-Q583 HydrophobicContact CB-CB 3.74Å; P579-K584 HydrophobicContact CB-CG 3.88Å; P579-K584 HydrophobicContact CG-CD 4.45Å; P579-K584 HydrophobicContact CG-CG 3.7Å; P579-K584 VanDerWaalsContact O-CE 3.27Å; P579-K584 WeakPolarHBondContact O-CE 3.16Å; P579-L587 HydrophobicContact CB-CD1 4.23Å; P579-L587 HydrophobicContact CG-CD1 4.34Å
580	S	84.9	Confident	84.9	Confident	59 Å²	59	74.9 Å²	74.9	41%	0.413	37%	0.367	S	S	.	.			trans	-59.5	164.4	169.6	76.1	0	0	0	0	111.2	E582 Q583 K584	S580-E582 PolarHBondContact O-N 3.03Å; S580-E582 VanDerWaalsContact O-N 3.16Å; S580-E582 PolarHBondContact OG-N 2.74Å; S580-Q583 PolarHBondContact O-N 3.12Å; S580-Q583 VanDerWaalsContact O-N 3.14Å; S580-Q583 WeakPolarHBondContact OG-CG 3.49Å; S580-Q583 PolarHBondContact OG-N 2.85Å; S580-Q583 VanDerWaalsContact OG-N 3.14Å; S580-K584 WeakPolarHBondContact O-CG 3.37Å; S580-K584 PolarHBondContact O-N 3.19Å
581	E	86.5	Confident	85.2	Confident	142 Å²	142	74.3 Å²	74.3	66%	0.664	37%	0.365	S	S	*	.	H	α-helix	trans	-55.9	-34.9	177.2	-162.2	-163.3	117.4	0	0	112	K584 K585	E581-K584 PolarHBondContact O-N 2.87Å; E581-K585 WeakPolarHBondContact O-CG 3.22Å; E581-K585 PolarHBondContact O-N 3.11Å; E581-K585 VanDerWaalsContact O-N 3.12Å; E581-K585 WeakPolarHBondContact OE1-CE 3.5Å; E581-K585 IonicContact OE1-NZ 2.8Å; E581-K585 PolarHBondContact OE1-NZ 3.03Å
582	E	89.8	Confident	85.6	Confident	114 Å²	114	73.1 Å²	73.1	53%	0.533	38%	0.379	S	S	.	.	H	α-helix	trans	-73.9	-42.4	177.5	-158.3	55.5	-146.1	0	0	112.3	S580 K584 K585 Q586	S580-E582 PolarHBondContact O-N 3.03Å; S580-E582 VanDerWaalsContact O-N 3.16Å; S580-E582 PolarHBondContact OG-N 2.74Å; E582-K584 VanDerWaalsContact C-N 3.26Å; E582-K584 PolarHBondContact O-N 3.34Å; E582-K585 WeakPolarHBondContact O-CB 3.46Å; E582-K585 PolarHBondContact O-N 2.82Å; E582-K585 VanDerWaalsContact O-N 3.1Å; E582-K585 WeakPolarHBondContact OE2-CD 3.16Å; E582-K585 IonicContact OE2-NZ 3.61Å; E582-K585 PolarHBondContact OE2-NZ 3.02Å; E582-K585 VanDerWaalsContact OE2-NZ 3.12Å; E582-Q586 PolarHBondContact O-N 3.24Å
583	Q	90.8	Very high	86	Confident	67 Å²	67	66.9 Å²	66.9	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-62.1	-34.3	172.8	-71.6	172	-38.5	0	0	111.9	H573 P579 S580 Q586 L587	H573-Q583 PolarHBondContact NE2-NE2 3.03Å; P579-Q583 HydrophobicContact CB-CB 3.74Å; S580-Q583 PolarHBondContact O-N 3.12Å; S580-Q583 VanDerWaalsContact O-N 3.14Å; S580-Q583 WeakPolarHBondContact OG-CG 3.49Å; S580-Q583 PolarHBondContact OG-N 2.85Å; S580-Q583 VanDerWaalsContact OG-N 3.14Å; Q583-Q586 PolarHBondContact O-N 2.87Å; Q583-L587 WeakPolarHBondContact O-CB 3.31Å; Q583-L587 VanDerWaalsContact O-CG 3.32Å; Q583-L587 WeakPolarHBondContact O-CG 3.31Å; Q583-L587 PolarHBondContact O-N 3.35Å
584	K	91.5	Very high	86.4	Confident	56 Å²	56	68.3 Å²	68.3	24%	0.243	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-38.6	172.7	-72.1	174.8	174.6	-173.6	0	112.3	P579 S580 E581 E582 A588 V598 N599	P579-K584 HydrophobicContact CB-CG 3.88Å; P579-K584 HydrophobicContact CG-CD 4.45Å; P579-K584 HydrophobicContact CG-CG 3.7Å; P579-K584 VanDerWaalsContact O-CE 3.27Å; P579-K584 WeakPolarHBondContact O-CE 3.16Å; S580-K584 WeakPolarHBondContact O-CG 3.37Å; S580-K584 PolarHBondContact O-N 3.19Å; E581-K584 PolarHBondContact O-N 2.87Å; E582-K584 VanDerWaalsContact C-N 3.26Å; E582-K584 PolarHBondContact O-N 3.34Å; K584-A588 WeakPolarHBondContact O-CB 3.17Å; K584-A588 PolarHBondContact O-N 3.15Å; K584-V598 HydrophobicContact CB-CG1 4.37Å; K584-V598 HydrophobicContact CG-CG1 4.39Å; K584-N599 WeakPolarHBondContact CD-OD1 3.34Å; K584-N599 WeakPolarHBondContact CE-OD1 3.2Å; K584-N599 PolarHBondContact NZ-OD1 2.62Å
585	K	92.2	Very high	87	Confident	60 Å²	60	70.7 Å²	70.7	26%	0.261	38%	0.375	S	S	.	.	H	α-helix	trans	-66	-42.7	173.5	-69.8	166.6	-162	156.8	0	111.4	E581 E582 A588 Q589 I595	E581-K585 WeakPolarHBondContact O-CG 3.22Å; E581-K585 PolarHBondContact O-N 3.11Å; E581-K585 VanDerWaalsContact O-N 3.12Å; E581-K585 WeakPolarHBondContact OE1-CE 3.5Å; E581-K585 IonicContact OE1-NZ 2.8Å; E581-K585 PolarHBondContact OE1-NZ 3.03Å; E582-K585 WeakPolarHBondContact O-CB 3.46Å; E582-K585 PolarHBondContact O-N 2.82Å; E582-K585 VanDerWaalsContact O-N 3.1Å; E582-K585 WeakPolarHBondContact OE2-CD 3.16Å; E582-K585 IonicContact OE2-NZ 3.61Å; E582-K585 PolarHBondContact OE2-NZ 3.02Å; E582-K585 VanDerWaalsContact OE2-NZ 3.12Å; K585-A588 WeakPolarHBondContact O-CB 3.39Å; K585-A588 PolarHBondContact O-N 3.25Å; K585-Q589 WeakPolarHBondContact O-CG 3.42Å; K585-Q589 PolarHBondContact O-N 3.3Å; K585-I595 HydrophobicContact CG-CD1 3.96Å
586	Q	92.6	Very high	88	Confident	90 Å²	90	70.4 Å²	70.4	42%	0.421	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-48.2	175.9	-169	62.1	56.7	0	0	111.3	E582 Q583 A588 Q589 D590	E582-Q586 PolarHBondContact O-N 3.24Å; Q583-Q586 PolarHBondContact O-N 2.87Å; Q586-A588 VanDerWaalsContact C-N 3.29Å; Q586-A588 PolarHBondContact O-N 3.1Å; Q586-Q589 WeakPolarHBondContact O-CB 3.5Å; Q586-Q589 PolarHBondContact O-N 2.8Å; Q586-Q589 VanDerWaalsContact O-N 3.09Å; Q586-D590 PolarHBondContact NE2-OD1 3.14Å; Q586-D590 VanDerWaalsContact O-CG 3.26Å; Q586-D590 PolarHBondContact O-N 3.34Å
587	L	92.1	Very high	88.8	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-58	-40.3	175.2	-76.6	171.7	0	0	0	112.2	I565 M566 W569 P579 Q583 T591 V598	I565-L587 HydrophobicContact CG2-CD2 4.2Å; M566-L587 HydrophobicContact CG-CD2 4.43Å; W569-L587 HydrophobicContact CB-CD2 3.78Å; W569-L587 HydrophobicContact CD2-CD1 3.93Å; W569-L587 HydrophobicContact CE3-CD1 4.32Å; W569-L587 HydrophobicContact CG-CD1 4Å; W569-L587 HydrophobicContact CG-CD2 3.84Å; W569-L587 HydrophobicContact CG-CG 4.29Å; P579-L587 HydrophobicContact CB-CD1 4.23Å; P579-L587 HydrophobicContact CG-CD1 4.34Å; Q583-L587 WeakPolarHBondContact O-CB 3.31Å; Q583-L587 VanDerWaalsContact O-CG 3.32Å; Q583-L587 WeakPolarHBondContact O-CG 3.31Å; Q583-L587 PolarHBondContact O-N 3.35Å; L587-T591 VanDerWaalsContact O-CB 3.23Å; L587-T591 WeakPolarHBondContact O-CB 3.4Å; L587-T591 WeakPolarHBondContact O-CG2 2.94Å; L587-T591 PolarHBondContact O-N 3.38Å; L587-T591 PolarHBondContact O-OG1 2.75Å; L587-V598 HydrophobicContact CB-CG1 3.87Å; L587-V598 HydrophobicContact CD1-CG1 4.25Å
588	A	92.5	Very high	89.3	Confident	10 Å²	10	68.3 Å²	68.3	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-61.5	-43.9	174.9	0	0	0	0	0	112	K584 K585 Q586 G592 L593 I595 V598	K584-A588 WeakPolarHBondContact O-CB 3.17Å; K584-A588 PolarHBondContact O-N 3.15Å; K585-A588 WeakPolarHBondContact O-CB 3.39Å; K585-A588 PolarHBondContact O-N 3.25Å; Q586-A588 VanDerWaalsContact C-N 3.29Å; Q586-A588 PolarHBondContact O-N 3.1Å; A588-G592 WeakPolarHBondContact O-CA 3.23Å; A588-G592 PolarHBondContact O-N 3.5Å; A588-G592 VanDerWaalsContact O-N 3.09Å; A588-L593 CarbonylContact C-O 3.3Å; A588-L593 WeakPolarHBondContact CA-O 3.37Å; A588-L593 VanDerWaalsContact CB-O 3.26Å; A588-L593 WeakPolarHBondContact CB-O 3.27Å; A588-L593 PolarHBondContact O-N 3.32Å; A588-I595 HydrophobicContact CB-CG1 3.82Å; A588-V598 HydrophobicContact CB-CG2 4.1Å
589	Q	93.2	Very high	89.7	Confident	135 Å²	135	65.3 Å²	65.3	63%	0.631	35%	0.349	S	S	*	.	H	α-helix	trans	-63.6	-51.7	176	-69	172.8	41.8	0	0	111.9	K585 Q586 T591 G592	K585-Q589 WeakPolarHBondContact O-CG 3.42Å; K585-Q589 PolarHBondContact O-N 3.3Å; Q586-Q589 WeakPolarHBondContact O-CB 3.5Å; Q586-Q589 PolarHBondContact O-N 2.8Å; Q586-Q589 VanDerWaalsContact O-N 3.09Å; Q589-T591 VanDerWaalsContact C-N 3.32Å; Q589-T591 PolarHBondContact O-N 2.82Å; Q589-G592 PolarHBondContact O-N 3.09Å
590	D	92.4	Very high	90	Very high	83 Å²	83	70.3 Å²	70.3	44%	0.444	38%	0.375	S	S	.	.	H	α-helix	trans	-65	-35.7	-175.6	-63.2	-15	0	0	0	112.5	I565 Q586	I565-D590 HydrophobicContact CD1-CB 4.32Å; I565-D590 VanDerWaalsContact CD1-O 3.24Å; I565-D590 WeakPolarHBondContact CD1-O 3.33Å; I565-D590 HydrophobicContact CG2-CB 3.96Å; Q586-D590 PolarHBondContact NE2-OD1 3.14Å; Q586-D590 VanDerWaalsContact O-CG 3.26Å; Q586-D590 PolarHBondContact O-N 3.34Å
591	T	91.1	Very high	89.9	Confident	16 Å²	16	72.9 Å²	72.9	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-88.9	-14.8	-177.1	62.7	0	0	0	0	113.9	A562 I565 M566 L587 Q589 L593	A562-T591 HydrophobicContact CB-CG2 4.14Å; I565-T591 HydrophobicContact CB-CG2 4.01Å; I565-T591 HydrophobicContact CG2-CG2 3.85Å; M566-T591 HydrophobicContact CG-CG2 3.66Å; M566-T591 HydrophobicContact SD-CG2 4.28Å; L587-T591 VanDerWaalsContact O-CB 3.23Å; L587-T591 WeakPolarHBondContact O-CB 3.4Å; L587-T591 WeakPolarHBondContact O-CG2 2.94Å; L587-T591 PolarHBondContact O-N 3.38Å; L587-T591 PolarHBondContact O-OG1 2.75Å; Q589-T591 VanDerWaalsContact C-N 3.32Å; Q589-T591 PolarHBondContact O-N 2.82Å; T591-L593 PolarHBondContact O-N 3.03Å; T591-L593 VanDerWaalsContact OG1-CB 3.29Å; T591-L593 WeakPolarHBondContact OG1-CB 3.46Å; T591-L593 WeakPolarHBondContact OG1-CG 3.32Å; T591-L593 PolarHBondContact OG1-N 3.25Å
592	G	91.1	Very high	90.1	Very high	69 Å²	69	69.4 Å²	69.4	71%	0.711	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	17.8	-168	0	0	0	0	0	113.9	A588 Q589	A588-G592 WeakPolarHBondContact O-CA 3.23Å; A588-G592 PolarHBondContact O-N 3.5Å; A588-G592 VanDerWaalsContact O-N 3.09Å; Q589-G592 PolarHBondContact O-N 3.09Å
593	L	90	Very high	90.1	Very high	17 Å²	17	67.1 Å²	67.1	9%	0.089	35%	0.352	C	S	.	.			trans	-93.4	152.9	177.6	-61.6	177.6	0	0	0	111	F558 A562 M566 A588 T591 Q597 V598	F558-L593 HydrophobicContact CD1-CD1 3.6Å; F558-L593 HydrophobicContact CD1-CD2 3.61Å; F558-L593 HydrophobicContact CD1-CG 4.28Å; F558-L593 HydrophobicContact CE1-CD1 3.83Å; F558-L593 HydrophobicContact CE1-CD2 4.03Å; F558-L593 HydrophobicContact CG-CD1 3.99Å; F558-L593 HydrophobicContact CZ-CD1 4.39Å; A562-L593 HydrophobicContact CB-CD1 4.07Å; A562-L593 HydrophobicContact CB-CG 4.23Å; M566-L593 HydrophobicContact CE-CD1 3.7Å; M566-L593 HydrophobicContact SD-CD1 3.82Å; A588-L593 CarbonylContact C-O 3.3Å; A588-L593 WeakPolarHBondContact CA-O 3.37Å; A588-L593 VanDerWaalsContact CB-O 3.26Å; A588-L593 WeakPolarHBondContact CB-O 3.27Å; A588-L593 PolarHBondContact O-N 3.32Å; T591-L593 PolarHBondContact O-N 3.03Å; T591-L593 VanDerWaalsContact OG1-CB 3.29Å; T591-L593 WeakPolarHBondContact OG1-CB 3.46Å; T591-L593 WeakPolarHBondContact OG1-CG 3.32Å; T591-L593 PolarHBondContact OG1-N 3.25Å; L593-Q597 HydrophobicContact CB-CB 4.04Å; L593-V598 HydrophobicContact CB-CG2 4.01Å
594	T	90.1	Very high	90.1	Very high	80 Å²	80	67.1 Å²	67.1	49%	0.491	35%	0.354	S	S	.	.			trans	-67	151.2	169.8	60.8	0	0	0	0	111	L596 Q597 V598	T594-L596 PolarHBondContact O-N 2.92Å; T594-L596 VanDerWaalsContact O-N 3.11Å; T594-Q597 WeakPolarHBondContact O-CA 3.33Å; T594-Q597 WeakPolarHBondContact O-CB 3.45Å; T594-Q597 PolarHBondContact O-N 3.13Å; T594-Q597 VanDerWaalsContact OG1-CG 3.31Å; T594-Q597 WeakPolarHBondContact OG1-CG 3.43Å; T594-Q597 PolarHBondContact OG1-N 3.25Å; T594-Q597 PolarHBondContact OG1-OE1 3.31Å; T594-V598 PolarHBondContact O-N 3.27Å
595	I	90.1	Very high	90	Very high	84 Å²	84	67.7 Å²	67.7	43%	0.431	36%	0.361	S	S	.	.	H	α-helix	trans	-55.2	-31.8	173.9	-64.5	171.2	0	0	0	111.3	K585 A588 V598 N599	K585-I595 HydrophobicContact CG-CD1 3.96Å; A588-I595 HydrophobicContact CB-CG1 3.82Å; I595-V598 PolarHBondContact O-N 3.39Å; I595-N599 WeakPolarHBondContact CG2-ND2 3.37Å; I595-N599 WeakPolarHBondContact O-CB 3.5Å; I595-N599 PolarHBondContact O-N 3.48Å; I595-N599 PolarHBondContact O-ND2 2.94Å
596	L	89.7	Confident	89.8	Confident	118 Å²	118	68.2 Å²	68.2	62%	0.618	37%	0.367	S	S	*	.	H	α-helix	trans	-67.5	-38.9	174	-177.1	60.1	0	0	0	112.5	T594 N599 N600	T594-L596 PolarHBondContact O-N 2.92Å; T594-L596 VanDerWaalsContact O-N 3.11Å; L596-N599 PolarHBondContact O-N 3.41Å; L596-N600 WeakPolarHBondContact O-CB 3.3Å; L596-N600 PolarHBondContact O-N 3.33Å; L596-N600 PolarHBondContact O-ND2 3.09Å; L596-N600 VanDerWaalsContact O-ND2 3.09Å
597	Q	88.1	Confident	89.6	Confident	71 Å²	71	66.7 Å²	66.7	33%	0.332	36%	0.364	S	S	.	.	H	α-helix	trans	-66.1	-37.5	173.5	-77.2	163.9	-55.7	0	0	112.1	F558 L593 T594 N600 W601	F558-Q597 HydrophobicContact CE1-CB 3.88Å; F558-Q597 HydrophobicContact CE1-CG 4.09Å; F558-Q597 HydrophobicContact CZ-CB 4.23Å; L593-Q597 HydrophobicContact CB-CB 4.04Å; T594-Q597 WeakPolarHBondContact O-CA 3.33Å; T594-Q597 WeakPolarHBondContact O-CB 3.45Å; T594-Q597 PolarHBondContact O-N 3.13Å; T594-Q597 VanDerWaalsContact OG1-CG 3.31Å; T594-Q597 WeakPolarHBondContact OG1-CG 3.43Å; T594-Q597 PolarHBondContact OG1-N 3.25Å; T594-Q597 PolarHBondContact OG1-OE1 3.31Å; Q597-N600 PolarHBondContact O-N 3.29Å; Q597-W601 WeakPolarHBondContact O-CB 3.2Å; Q597-W601 PolarHBondContact O-N 3.11Å; Q597-W601 VanDerWaalsContact O-N 3.09Å
598	V	88.1	Confident	89.5	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.006	39%	0.388	C	S	.	.	H	α-helix	trans	-72.8	-24.6	175.2	179.2	0	0	0	0	112.6	K584 L587 A588 L593 T594 I595	K584-V598 HydrophobicContact CB-CG1 4.37Å; K584-V598 HydrophobicContact CG-CG1 4.39Å; L587-V598 HydrophobicContact CB-CG1 3.87Å; L587-V598 HydrophobicContact CD1-CG1 4.25Å; A588-V598 HydrophobicContact CB-CG2 4.1Å; L593-V598 HydrophobicContact CB-CG2 4.01Å; T594-V598 PolarHBondContact O-N 3.27Å; I595-V598 PolarHBondContact O-N 3.39Å
599	N	86.3	Confident	89.2	Confident	76 Å²	76	75.9 Å²	75.9	41%	0.406	41%	0.412	S	S	.	.	H	α-helix	trans	-80.8	-26	170.9	-82.9	-56.8	0	0	0	113.7	K584 I595 L596	K584-N599 WeakPolarHBondContact CD-OD1 3.34Å; K584-N599 WeakPolarHBondContact CE-OD1 3.2Å; K584-N599 PolarHBondContact NZ-OD1 2.62Å; I595-N599 WeakPolarHBondContact CG2-ND2 3.37Å; I595-N599 WeakPolarHBondContact O-CB 3.5Å; I595-N599 PolarHBondContact O-N 3.48Å; I595-N599 PolarHBondContact O-ND2 2.94Å; L596-N599 PolarHBondContact O-N 3.41Å
600	N	86.1	Confident	88.9	Confident	125 Å²	125	71 Å²	71	67%	0.668	39%	0.393	S	S	*	.	H	α-helix	trans	-85.2	-16.2	176.6	-73	-31.3	0	0	0	112.7	L596 Q597	L596-N600 WeakPolarHBondContact O-CB 3.3Å; L596-N600 PolarHBondContact O-N 3.33Å; L596-N600 PolarHBondContact O-ND2 3.09Å; L596-N600 VanDerWaalsContact O-ND2 3.09Å; Q597-N600 PolarHBondContact O-N 3.29Å
601	W	83.9	Confident	88.6	Confident	112 Å²	112	69.9 Å²	69.9	42%	0.424	39%	0.389	S	S	.	.			trans	-83.6	0	169.7	175.4	73.6	0	0	0	109.9	F558 M566 W569 L570 Q597	F558-W601 HydrophobicContact CE2-CB 3.93Å; F558-W601 HydrophobicContact CE2-CG 4.27Å; F558-W601 HydrophobicContact CZ-CB 4.36Å; M566-W601 HydrophobicContact CB-CD2 4.03Å; M566-W601 HydrophobicContact CB-CE3 4.18Å; M566-W601 HydrophobicContact CB-CH2 3.72Å; M566-W601 HydrophobicContact CB-CZ2 3.56Å; M566-W601 HydrophobicContact CB-CZ3 4.02Å; M566-W601 HydrophobicContact CE-CD2 4.25Å; M566-W601 HydrophobicContact CE-CG 4Å; M566-W601 HydrophobicContact CG-CD2 4.31Å; M566-W601 HydrophobicContact CG-CE3 4.29Å; M566-W601 HydrophobicContact CG-CZ3 4.41Å; M566-W601 VanDerWaalsContact O-CH2 3.22Å; M566-W601 WeakPolarHBondContact O-CH2 3.41Å; M566-W601 HydrophobicContact SD-CB 4.25Å; M566-W601 HydrophobicContact SD-CD2 3.63Å; M566-W601 HydrophobicContact SD-CE3 3.87Å; M566-W601 HydrophobicContact SD-CG 3.76Å; W569-W601 HydrophobicContact CE3-CH2 4.39Å; W569-W601 HydrophobicContact CE3-CZ3 4.45Å; L570-W601 HydrophobicContact CB-CH2 4.14Å; L570-W601 HydrophobicContact CB-CZ2 4.43Å; Q597-W601 WeakPolarHBondContact O-CB 3.2Å; Q597-W601 PolarHBondContact O-N 3.11Å; Q597-W601 VanDerWaalsContact O-N 3.09Å

Retrieved 601 of 601 residues in 177.4 ms (Link to these results)

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