A0A5K4F4T8_SCHMA Loading...

DHC_N1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4T8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 756 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	23.9	Very low	33.8	Very low	206 Å²	206	124.1 Å²	124.1	100%	1.015	59%	0.585	S	S	*	*				0	-0.3	0	-109.6	169.6	140.9	0	0	115.1
2	Y	32.3	Very low	34.6	Very low	199 Å²	199	115.1 Å²	115.1	78%	0.78	54%	0.543	S	S	*	.			trans	-106.5	-5.5	-172.5	-81.8	-84.3	0	0	0	117.3	N4	Y2-N4 PolarHBondContact O-N 3.03Å
3	K	30.2	Very low	36	Very low	195 Å²	195	118.6 Å²	118.6	85%	0.848	55%	0.548	S	S	*	.	H	α-helix	trans	-74	-26.1	-175	-77.7	-170.9	174.2	-175.1	0	114.8
4	N	28.4	Very low	36.8	Very low	115 Å²	115	117.8 Å²	117.8	62%	0.615	56%	0.561	S	S	*	*	H	α-helix	trans	-91	-29.7	-179.9	-72.2	5.9	0	0	0	113.7	Y2 Y6 A7 I8	Y2-N4 PolarHBondContact O-N 3.03Å; N4-Y6 VanDerWaalsContact C-N 3.33Å; N4-Y6 PolarHBondContact O-N 3.41Å; N4-A7 PolarHBondContact O-N 3.48Å; N4-I8 PolarHBondContact O-N 3.46Å
5	G	28.5	Very low	37	Very low	34 Å²	34	120.4 Å²	120.4	35%	0.351	57%	0.569	S	S	.	*	H	α-helix	trans	-61.7	-40.9	177.8	0	0	0	0	0	112.4	A7 I8 E9	G5-A7 VanDerWaalsContact C-N 3.32Å; G5-A7 PolarHBondContact O-N 2.89Å; G5-I8 PolarHBondContact O-N 3.13Å; G5-E9 WeakPolarHBondContact O-CB 3.44Å; G5-E9 PolarHBondContact O-N 2.9Å
6	Y	36.3	Very low	37.4	Very low	171 Å²	171	114.2 Å²	114.2	67%	0.671	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-34.7	177	-113.4	-83.8	0	0	0	113.3	N4 R10	N4-Y6 VanDerWaalsContact C-N 3.33Å; N4-Y6 PolarHBondContact O-N 3.41Å; Y6-R10 WeakPolarHBondContact O-CB 3.04Å; Y6-R10 PolarHBondContact O-N 3.19Å
7	A	31.8	Very low	38.5	Very low	51 Å²	51	112.9 Å²	112.9	42%	0.421	54%	0.537	S	S	.	.	H	α-helix	trans	-68.1	-43.5	177.2	0	0	0	0	0	110.9	N4 G5 R10 I11	N4-A7 PolarHBondContact O-N 3.48Å; G5-A7 VanDerWaalsContact C-N 3.32Å; G5-A7 PolarHBondContact O-N 2.89Å; A7-R10 PolarHBondContact O-N 2.7Å; A7-I11 WeakPolarHBondContact O-CD1 3.45Å; A7-I11 WeakPolarHBondContact O-CG1 3.34Å; A7-I11 PolarHBondContact O-N 3.47Å
8	I	32.6	Very low	39.5	Very low	44 Å²	44	115.3 Å²	115.3	23%	0.226	55%	0.545	C	S	.	.	H	α-helix	trans	-68.7	-45.8	179	-63	174.2	0	0	0	110.5	N4 G5 R10 I11 L12	N4-I8 PolarHBondContact O-N 3.46Å; G5-I8 PolarHBondContact O-N 3.13Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 2.89Å; I8-I11 WeakPolarHBondContact O-CB 3.34Å; I8-I11 PolarHBondContact O-N 3.05Å; I8-I11 VanDerWaalsContact O-N 3.09Å; I8-L12 HydrophobicContact CG2-CD1 3.88Å; I8-L12 HydrophobicContact CG2-CG 4.17Å; I8-L12 VanDerWaalsContact O-CG 3.27Å; I8-L12 WeakPolarHBondContact O-CG 3Å; I8-L12 PolarHBondContact O-N 3.25Å
9	E	44	Very low	40.2	Very low	58 Å²	58	114.3 Å²	114.3	27%	0.271	54%	0.543	S	S	.	.	H	α-helix	trans	-57	-43.3	175.8	-165.4	-167.7	154.2	0	0	111.3	G5 I11 L12 R13 F21	G5-E9 WeakPolarHBondContact O-CB 3.44Å; G5-E9 PolarHBondContact O-N 2.9Å; E9-I11 PolarHBondContact O-N 3.14Å; E9-L12 PolarHBondContact O-N 3.4Å; E9-R13 WeakPolarHBondContact O-CG 3.45Å; E9-R13 PolarHBondContact O-N 3.25Å; E9-R13 IonicContact OE1-CZ 3.77Å; E9-R13 VanDerWaalsContact OE1-CZ 3.28Å; E9-R13 IonicContact OE1-NE 3.54Å; E9-R13 PolarHBondContact OE1-NE 3.28Å; E9-R13 IonicContact OE1-NH2 3.31Å; E9-R13 PolarHBondContact OE1-NH2 3.09Å; E9-F21 HydrophobicContact CG-CE2 3.99Å; E9-F21 HydrophobicContact CG-CZ 3.64Å
10	R	46	Very low	40.7	Very low	191 Å²	191	110.5 Å²	110.5	72%	0.721	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-37.6	177.5	-164.4	174.4	175.1	174.5	-1.2	112	Y6 A7 I8 C14	Y6-R10 WeakPolarHBondContact O-CB 3.04Å; Y6-R10 PolarHBondContact O-N 3.19Å; A7-R10 PolarHBondContact O-N 2.7Å; I8-R10 VanDerWaalsContact C-N 3.27Å; I8-R10 PolarHBondContact O-N 2.89Å; R10-C14 PolarHBondContact O-N 2.94Å; R10-C14 PolarHBondContact O-SG 3.49Å
11	I	38.4	Very low	41.2	Very low	101 Å²	101	106 Å²	106	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-42.2	172.9	-68.9	163	0	0	0	110.8	A7 I8 E9 C14 K15	A7-I11 WeakPolarHBondContact O-CD1 3.45Å; A7-I11 WeakPolarHBondContact O-CG1 3.34Å; A7-I11 PolarHBondContact O-N 3.47Å; I8-I11 WeakPolarHBondContact O-CB 3.34Å; I8-I11 PolarHBondContact O-N 3.05Å; I8-I11 VanDerWaalsContact O-N 3.09Å; E9-I11 PolarHBondContact O-N 3.14Å; I11-C14 WeakPolarHBondContact O-CB 3.3Å; I11-C14 PolarHBondContact O-N 2.74Å; I11-C14 VanDerWaalsContact O-N 3.15Å; I11-K15 PolarHBondContact O-N 3.04Å; I11-K15 VanDerWaalsContact O-N 3.17Å
12	L	43	Very low	42.7	Very low	16 Å²	16	99.6 Å²	99.6	8%	0.084	48%	0.475	C	S	.	.	H	α-helix	trans	-66.4	-45	-179.4	-69.4	175.4	0	0	0	112.1	I8 E9 C14 K15 L16 F21 I73	I8-L12 HydrophobicContact CG2-CD1 3.88Å; I8-L12 HydrophobicContact CG2-CG 4.17Å; I8-L12 VanDerWaalsContact O-CG 3.27Å; I8-L12 WeakPolarHBondContact O-CG 3Å; I8-L12 PolarHBondContact O-N 3.25Å; E9-L12 PolarHBondContact O-N 3.4Å; L12-C14 PolarHBondContact O-N 2.79Å; L12-K15 PolarHBondContact O-N 3.12Å; L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 PolarHBondContact O-N 2.83Å; L12-F21 HydrophobicContact CB-CD2 3.95Å; L12-F21 HydrophobicContact CB-CE2 3.91Å; L12-I73 HydrophobicContact CD1-CD1 4.29Å; L12-I73 HydrophobicContact CD2-CB 4.27Å; L12-I73 HydrophobicContact CD2-CD1 3.36Å; L12-I73 HydrophobicContact CD2-CG1 4.05Å; L12-I73 HydrophobicContact CG-CD1 4.46Å
13	R	52.1	Low	43.6	Very low	161 Å²	161	94.3 Å²	94.3	61%	0.608	46%	0.457	S	S	*	.	H	α-helix	trans	-60.5	-22.5	172.3	-72.2	-178	-176.2	-131.2	5.2	113.4	E9 F21	E9-R13 WeakPolarHBondContact O-CG 3.45Å; E9-R13 PolarHBondContact O-N 3.25Å; E9-R13 IonicContact OE1-CZ 3.77Å; E9-R13 VanDerWaalsContact OE1-CZ 3.28Å; E9-R13 IonicContact OE1-NE 3.54Å; E9-R13 PolarHBondContact OE1-NE 3.28Å; E9-R13 IonicContact OE1-NH2 3.31Å; E9-R13 PolarHBondContact OE1-NH2 3.09Å; R13-F21 HydrophobicContact CG-CD2 4.16Å; R13-F21 HydrophobicContact CG-CE1 4.28Å; R13-F21 HydrophobicContact CG-CE2 3.91Å; R13-F21 HydrophobicContact CG-CG 4.45Å; R13-F21 HydrophobicContact CG-CZ 3.98Å
14	C	48.2	Very low	44.4	Very low	107 Å²	107	85.2 Å²	85.2	72%	0.723	42%	0.418	S	S	*	.	H	α-helix	trans	-85.5	-23.3	175.7	-67.4	0	0	0	0	113.3	R10 I11 L12	R10-C14 PolarHBondContact O-N 2.94Å; R10-C14 PolarHBondContact O-SG 3.49Å; I11-C14 WeakPolarHBondContact O-CB 3.3Å; I11-C14 PolarHBondContact O-N 2.74Å; I11-C14 VanDerWaalsContact O-N 3.15Å; L12-C14 PolarHBondContact O-N 2.79Å
15	K	39.4	Very low	45.4	Very low	157 Å²	157	84.2 Å²	84.2	68%	0.683	41%	0.412	S	S	*	.	H	α-helix	trans	-102.8	-33.8	-175.1	-81.2	-163.2	173.1	-169.3	0	114.2	I11 L12	I11-K15 PolarHBondContact O-N 3.04Å; I11-K15 VanDerWaalsContact O-N 3.17Å; L12-K15 PolarHBondContact O-N 3.12Å
16	L	44.1	Very low	46.2	Very low	21 Å²	21	89.7 Å²	89.7	11%	0.11	43%	0.426	C	S	.	.	S	Bend	trans	-99.8	145.5	-178.3	-61.9	171.9	0	0	0	108.7	L12 D20 F21 L24	L12-L16 HydrophobicContact CD2-CD1 4.22Å; L12-L16 PolarHBondContact O-N 2.83Å; L16-D20 HydrophobicContact CB-CB 4.13Å; L16-D20 HydrophobicContact CD2-CB 4.26Å; L16-F21 HydrophobicContact CB-CB 4.35Å; L16-L24 HydrophobicContact CD1-CD1 4Å
17	D	55.7	Low	46.4	Very low	92 Å²	92	84.1 Å²	84.1	49%	0.492	40%	0.404	S	S	.	.			trans	-66.9	166.7	164.6	67.4	33.9	0	0	0	109.9	D19 D20 F21	D17-D19 PolarHBondContact O-N 3.21Å; D17-D19 PolarHBondContact OD1-N 3.32Å; D17-D20 PolarHBondContact O-N 3.11Å; D17-D20 WeakPolarHBondContact OD1-CB 3.22Å; D17-D20 PolarHBondContact OD1-N 3.28Å; D17-F21 WeakPolarHBondContact O-CB 3.34Å; D17-F21 PolarHBondContact O-N 3Å
18	K	55.3	Low	46.7	Very low	157 Å²	157	83.2 Å²	83.2	68%	0.683	40%	0.395	S	S	*	.	H	α-helix	trans	-61.7	-36.8	-174.6	-172.3	180	175.5	-171.4	0	111.5	F21 D22	K18-F21 PolarHBondContact O-N 3.31Å; K18-D22 WeakPolarHBondContact O-CB 3.31Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 2.84Å
19	D	54.5	Low	46.9	Very low	95 Å²	95	83.9 Å²	83.9	51%	0.508	41%	0.413	S	S	.	.	H	α-helix	trans	-66.2	-49.6	-178.5	-66.2	-18.6	0	0	0	109.8	D17 F21 D22 H23	D17-D19 PolarHBondContact O-N 3.21Å; D17-D19 PolarHBondContact OD1-N 3.32Å; D19-F21 VanDerWaalsContact C-N 3.32Å; D19-F21 PolarHBondContact O-N 3.24Å; D19-D22 PolarHBondContact O-N 3.4Å; D19-H23 PolarHBondContact O-N 2.9Å; D19-H23 PolarHBondContact O-ND1 3.38Å
20	D	49.8	Very low	46.4	Very low	39 Å²	39	85 Å²	85	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-39.2	177.4	-76.5	-18.6	0	0	0	112.2	L16 D17 H23 L24 I94	L16-D20 HydrophobicContact CB-CB 4.13Å; L16-D20 HydrophobicContact CD2-CB 4.26Å; D17-D20 PolarHBondContact O-N 3.11Å; D17-D20 WeakPolarHBondContact OD1-CB 3.22Å; D17-D20 PolarHBondContact OD1-N 3.28Å; D20-H23 PolarHBondContact O-N 2.7Å; D20-L24 WeakPolarHBondContact O-CB 3.17Å; D20-L24 PolarHBondContact O-N 2.93Å; D20-I94 HydrophobicContact CB-CD1 4.38Å
21	F	51.4	Low	45.6	Very low	16 Å²	16	77.4 Å²	77.4	7%	0.07	40%	0.4	C	S	.	.	H	α-helix	trans	-63.9	-45.2	175.2	-179.5	-94.6	0	0	0	111.8	E9 L12 R13 L16 D17 K18 D19 H23 L24 L25	E9-F21 HydrophobicContact CG-CE2 3.99Å; E9-F21 HydrophobicContact CG-CZ 3.64Å; L12-F21 HydrophobicContact CB-CD2 3.95Å; L12-F21 HydrophobicContact CB-CE2 3.91Å; R13-F21 HydrophobicContact CG-CD2 4.16Å; R13-F21 HydrophobicContact CG-CE1 4.28Å; R13-F21 HydrophobicContact CG-CE2 3.91Å; R13-F21 HydrophobicContact CG-CG 4.45Å; R13-F21 HydrophobicContact CG-CZ 3.98Å; L16-F21 HydrophobicContact CB-CB 4.35Å; D17-F21 WeakPolarHBondContact O-CB 3.34Å; D17-F21 PolarHBondContact O-N 3Å; K18-F21 PolarHBondContact O-N 3.31Å; D19-F21 VanDerWaalsContact C-N 3.32Å; D19-F21 PolarHBondContact O-N 3.24Å; F21-H23 VanDerWaalsContact C-N 3.35Å; F21-L24 WeakPolarHBondContact O-CB 3.18Å; F21-L24 PolarHBondContact O-N 3.22Å; F21-L25 HydrophobicContact CE1-CD1 3.94Å; F21-L25 HydrophobicContact CZ-CD1 3.96Å; F21-L25 WeakPolarHBondContact O-CB 3.44Å; F21-L25 PolarHBondContact O-N 3.15Å
22	D	55.6	Low	45.1	Very low	71 Å²	71	75.7 Å²	75.7	38%	0.38	40%	0.396	S	S	.	.	H	α-helix	trans	-66.9	-36	178.9	-72.8	-16.5	0	0	0	111.2	K18 D19 L25 F26	K18-D22 WeakPolarHBondContact O-CB 3.31Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 2.84Å; D19-D22 PolarHBondContact O-N 3.4Å; D22-L25 WeakPolarHBondContact O-CB 3.44Å; D22-L25 PolarHBondContact O-N 3.47Å; D22-F26 WeakPolarHBondContact O-CB 3.15Å; D22-F26 PolarHBondContact O-N 3.22Å
23	H	50.4	Low	44.4	Very low	88 Å²	88	83 Å²	83	41%	0.407	43%	0.43	S	S	.	.	H	α-helix	trans	-62.8	-42.1	170.8	-75.7	92	0	0	0	111.7	D19 D20 F21 L25 F26 W27	D19-H23 PolarHBondContact O-N 2.9Å; D19-H23 PolarHBondContact O-ND1 3.38Å; D20-H23 PolarHBondContact O-N 2.7Å; F21-H23 VanDerWaalsContact C-N 3.35Å; H23-L25 VanDerWaalsContact C-N 3.3Å; H23-L25 PolarHBondContact O-N 3.07Å; H23-F26 WeakPolarHBondContact O-CB 3.22Å; H23-F26 PolarHBondContact O-N 2.98Å; H23-W27 PolarHBondContact O-N 2.78Å
24	L	46.8	Very low	43.1	Very low	5 Å²	5	80.8 Å²	80.8	3%	0.026	43%	0.429	C	S	.	.	H	α-helix	trans	-66.4	-36.1	176.6	-152.2	147.8	0	0	0	111.2	L16 D20 F21 W27 S28 I46 F67 I73 I94 I96	L16-L24 HydrophobicContact CD1-CD1 4Å; D20-L24 WeakPolarHBondContact O-CB 3.17Å; D20-L24 PolarHBondContact O-N 2.93Å; F21-L24 WeakPolarHBondContact O-CB 3.18Å; F21-L24 PolarHBondContact O-N 3.22Å; L24-W27 PolarHBondContact O-N 2.75Å; L24-S28 PolarHBondContact O-N 3.38Å; L24-I46 HydrophobicContact CG-CD1 4.23Å; L24-F67 HydrophobicContact CD2-CE1 4.28Å; L24-I73 HydrophobicContact CD1-CD1 4.11Å; L24-I94 HydrophobicContact CD1-CD1 4.29Å; L24-I94 HydrophobicContact CD1-CG2 4Å; L24-I96 HydrophobicContact CD1-CD1 4.4Å
25	L	49.1	Very low	42.3	Very low	93 Å²	93	83 Å²	83	49%	0.487	43%	0.434	S	S	.	.	H	α-helix	trans	-67.1	-40.2	174.1	-148.3	93.1	0	0	0	111.9	F21 D22 H23 W27 S28	F21-L25 HydrophobicContact CE1-CD1 3.94Å; F21-L25 HydrophobicContact CZ-CD1 3.96Å; F21-L25 WeakPolarHBondContact O-CB 3.44Å; F21-L25 PolarHBondContact O-N 3.15Å; D22-L25 WeakPolarHBondContact O-CB 3.44Å; D22-L25 PolarHBondContact O-N 3.47Å; H23-L25 VanDerWaalsContact C-N 3.3Å; H23-L25 PolarHBondContact O-N 3.07Å; L25-W27 VanDerWaalsContact C-N 3.27Å; L25-W27 PolarHBondContact O-N 3.46Å; L25-S28 VanDerWaalsContact O-CB 3.22Å; L25-S28 WeakPolarHBondContact O-CB 2.96Å; L25-S28 PolarHBondContact O-N 3.41Å; L25-S28 PolarHBondContact O-OG 3.41Å
26	F	45.9	Very low	41.9	Very low	149 Å²	149	80.4 Å²	80.4	65%	0.654	44%	0.435	S	S	*	.	H	α-helix	trans	-56	-44	174.4	175.9	-94.1	0	0	0	111	D22 H23 S28	D22-F26 WeakPolarHBondContact O-CB 3.15Å; D22-F26 PolarHBondContact O-N 3.22Å; H23-F26 WeakPolarHBondContact O-CB 3.22Å; H23-F26 PolarHBondContact O-N 2.98Å; F26-S28 VanDerWaalsContact C-N 3.34Å
27	W	40.7	Very low	41.3	Very low	54 Å²	54	85.4 Å²	85.4	21%	0.205	46%	0.463	C	S	.	.	H	α-helix	trans	-78.8	-12.7	177	-66.6	112.5	0	0	0	114.3	H23 L24 L25 G29 S30 I31 I46 L51	H23-W27 PolarHBondContact O-N 2.78Å; L24-W27 PolarHBondContact O-N 2.75Å; L25-W27 VanDerWaalsContact C-N 3.27Å; L25-W27 PolarHBondContact O-N 3.46Å; W27-G29 PolarHBondContact O-N 2.99Å; W27-G29 VanDerWaalsContact O-N 3.15Å; W27-S30 WeakPolarHBondContact O-CA 3.22Å; W27-S30 WeakPolarHBondContact O-CB 3.38Å; W27-S30 PolarHBondContact O-N 3.22Å; W27-I31 WeakPolarHBondContact O-CG1 3.1Å; W27-I31 PolarHBondContact O-N 3.5Å; W27-I46 HydrophobicContact CG-CG2 4.26Å; W27-L51 HydrophobicContact CE3-CD1 4.47Å
28	S	37.7	Very low	40.2	Very low	33 Å²	33	89.8 Å²	89.8	23%	0.231	48%	0.477	C	S	.	.	H	α-helix	trans	-57.7	-30.6	179	75.2	0	0	0	0	113.1	L24 L25 F26 S30 I31	L24-S28 PolarHBondContact O-N 3.38Å; L25-S28 VanDerWaalsContact O-CB 3.22Å; L25-S28 WeakPolarHBondContact O-CB 2.96Å; L25-S28 PolarHBondContact O-N 3.41Å; L25-S28 PolarHBondContact O-OG 3.41Å; F26-S28 VanDerWaalsContact C-N 3.34Å; S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 3.47Å; S28-I31 WeakPolarHBondContact O-CB 3.49Å; S28-I31 PolarHBondContact O-N 2.94Å
29	G	36.2	Very low	39.1	Very low	58 Å²	58	84.5 Å²	84.5	60%	0.598	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-65.9	-31	174.7	0	0	0	0	0	113.4	W27 I31	W27-G29 PolarHBondContact O-N 2.99Å; W27-G29 VanDerWaalsContact O-N 3.15Å; G29-I31 PolarHBondContact O-N 2.92Å
30	S	33.4	Very low	38.1	Very low	81 Å²	81	88.6 Å²	88.6	57%	0.566	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-79.3	-5.9	175.7	-51.7	0	0	0	0	113.2	W27 S28 C32	W27-S30 WeakPolarHBondContact O-CA 3.22Å; W27-S30 WeakPolarHBondContact O-CB 3.38Å; W27-S30 PolarHBondContact O-N 3.22Å; S28-S30 VanDerWaalsContact C-N 3.3Å; S28-S30 PolarHBondContact O-N 3.47Å; S30-C32 VanDerWaalsContact C-N 3.35Å
31	I	30.7	Very low	37.4	Very low	31 Å²	31	89.2 Å²	89.2	16%	0.159	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-96.4	16	-177.7	-62.5	172.7	0	0	0	110.9	W27 S28 G29 V64 I65 F67	W27-I31 WeakPolarHBondContact O-CG1 3.1Å; W27-I31 PolarHBondContact O-N 3.5Å; S28-I31 WeakPolarHBondContact O-CB 3.49Å; S28-I31 PolarHBondContact O-N 2.94Å; G29-I31 PolarHBondContact O-N 2.92Å; I31-V64 WeakPolarHBondContact O-CG1 3.42Å; I31-I65 WeakPolarHBondContact CG2-O 3.31Å; I31-F67 HydrophobicContact CB-CE2 4.49Å; I31-F67 HydrophobicContact CD1-CZ 4.38Å; I31-F67 HydrophobicContact CG2-CD2 4.5Å; I31-F67 HydrophobicContact CG2-CE2 4.21Å
32	C	26.7	Very low	36.5	Very low	66 Å²	66	94.8 Å²	94.8	45%	0.446	50%	0.5	S	S	.	.			trans	-121.4	147.1	-174.4	-73.9	0	0	0	0	113.6	S30	S30-C32 VanDerWaalsContact C-N 3.35Å
33	H	28.1	Very low	35.5	Very low	169 Å²	169	94 Å²	94	78%	0.782	49%	0.494	S	S	*	.			trans	107.6	80.3	173.6	-58.3	-64.4	0	0	0	118.1	V64	H33-V64 VanDerWaalsContact C-CG2 3.49Å; H33-V64 WeakPolarHBondContact O-CG2 3.38Å
34	L	26.6	Very low	35.1	Very low	114 Å²	114	90.9 Å²	90.9	60%	0.597	48%	0.479	S	S	*	.			trans	-73.9	119.3	164.4	-91.8	152.2	0	0	0	110.8	V64	L34-V64 HydrophobicContact CG-CG1 4.43Å
35	D	29.7	Very low	34.9	Very low	155 Å²	155	92.1 Å²	92.1	83%	0.829	49%	0.485	S	S	*	.			trans	-119.4	105.3	140.5	-94.4	-30.1	0	0	0	109.1	D37	D35-D37 PolarHBondContact O-N 3.16Å
36	S	31.9	Very low	34.5	Very low	101 Å²	101	88 Å²	88	71%	0.706	46%	0.464	S	S	*	.	S	Bend	trans	42.5	-14.9	162.9	48.8	0	0	0	0	125.6
37	D	31.2	Very low	34.4	Very low	127 Å²	127	81.2 Å²	81.2	68%	0.679	44%	0.436	S	S	*	.			trans	-104.8	129.7	-177.6	-71.8	-34.3	0	0	0	114.5	D35	D35-D37 PolarHBondContact O-N 3.16Å
38	K	32.7	Very low	34.4	Very low	183 Å²	183	85 Å²	85	80%	0.796	46%	0.456	S	S	*	.			trans	-76.2	129.3	-158.3	-61.8	166.7	-176.5	167.7	0	112.2
39	P	33.2	Very low	34.2	Very low	46 Å²	46	90.2 Å²	90.2	30%	0.299	48%	0.477	S	S	.	.			trans	-81.2	128.3	174.1	27.4	-29.6	0	0	0	112.9	F41 N63	P39-F41 VanDerWaalsContact C-N 3.35Å; P39-F41 HydrophobicContact CB-CD2 3.97Å; P39-F41 HydrophobicContact CB-CE2 4.39Å; P39-F41 PolarHBondContact O-N 2.85Å; P39-N63 HydrophobicContact CB-CB 4.33Å
40	E	32.1	Very low	34.1	Very low	182 Å²	182	95.3 Å²	95.3	85%	0.85	48%	0.478	S	S	*	.			trans	-90	31.2	178.8	-72.8	-170.8	158.1	0	0	114.3
41	F	35.7	Very low	34.2	Very low	51 Å²	51	93.9 Å²	93.9	22%	0.224	46%	0.464	C	S	.	.			trans	-106.4	158.8	-173.1	-52	-66	0	0	0	112.1	P39 F44 F98	P39-F41 VanDerWaalsContact C-N 3.35Å; P39-F41 HydrophobicContact CB-CD2 3.97Å; P39-F41 HydrophobicContact CB-CE2 4.39Å; P39-F41 PolarHBondContact O-N 2.85Å; F41-F44 HydrophobicContact CB-CE2 4.39Å; F41-F98 VanDerWaalsContact C-CE2 3.43Å; F41-F98 HydrophobicContact CB-CE2 4.47Å; F41-F98 HydrophobicContact CB-CZ 3.86Å; F41-F98 WeakPolarHBondContact O-CE2 3.02Å; F41-F98 VanDerWaalsContact O-CZ 3.23Å; F41-F98 WeakPolarHBondContact O-CZ 3.47Å
42	K	32.9	Very low	34.5	Very low	134 Å²	134	96.3 Å²	96.3	58%	0.583	47%	0.471	S	S	*	.	S	Bend	trans	-121.9	-20.9	179.2	-119.2	-174.9	-180	-174	0	114.1	F98	K42-F98 VanDerWaalsContact C-CZ 3.43Å; K42-F98 WeakPolarHBondContact O-CD1 3.34Å; K42-F98 WeakPolarHBondContact O-CE1 3.45Å
43	H	33.5	Very low	35.1	Very low	55 Å²	55	94 Å²	94	26%	0.255	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.8	-176.6	-53.4	95.9	0	0	0	112	M54 I96 F98	H43-M54 HydrophobicContact CB-CE 4.29Å; H43-I96 WeakPolarHBondContact CA-O 3.42Å; H43-F98 VanDerWaalsContact N-CE1 3.27Å
44	F	41.7	Very low	35.3	Very low	21 Å²	21	91.1 Å²	91.1	9%	0.092	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.4	174.6	-97.7	-117.3	0	0	0	110.6	F41 L51 T53 L61 I65 C95 I96 F98	F41-F44 HydrophobicContact CB-CE2 4.39Å; F44-L51 HydrophobicContact CD1-CD2 3.42Å; F44-L51 VanDerWaalsContact CD1-CD2 3.42Å; F44-L51 HydrophobicContact CD1-CG 4.36Å; F44-L51 HydrophobicContact CE1-CD2 3.32Å; F44-T53 HydrophobicContact CE2-CG2 4.39Å; F44-T53 HydrophobicContact CZ-CG2 4.47Å; F44-L61 HydrophobicContact CE1-CD1 3.64Å; F44-L61 HydrophobicContact CZ-CD1 3.85Å; F44-L61 HydrophobicContact CZ-CD2 4.35Å; F44-I65 HydrophobicContact CD2-CD1 3.51Å; F44-I65 HydrophobicContact CE1-CD1 4.42Å; F44-I65 HydrophobicContact CE2-CD1 3.07Å; F44-I65 HydrophobicContact CE2-CG1 4.17Å; F44-I65 HydrophobicContact CG-CD1 4.38Å; F44-I65 HydrophobicContact CZ-CD1 3.58Å; F44-I65 HydrophobicContact CZ-CG1 4.26Å; F44-C95 CarbonylContact O-C 3.51Å; F44-C95 WeakPolarHBondContact O-CA 3.32Å; F44-I96 HydrophobicContact CB-CB 4.33Å; F44-I96 PolarHBondContact N-O 2.77Å; F44-I96 VanDerWaalsContact N-O 3.11Å; F44-I96 PolarHBondContact O-N 3.13Å; F44-F98 AromaticContact CD2-CE1 3.66Å; F44-F98 HydrophobicContact CD2-CE1 3.66Å; F44-F98 AromaticContact CD2-CZ 3.95Å; F44-F98 HydrophobicContact CD2-CZ 3.95Å; F44-F98 HydrophobicContact CE2-CE1 4.35Å; F44-F98 HydrophobicContact CE2-CZ 4.21Å
45	I	42.9	Very low	35.7	Very low	31 Å²	31	91.3 Å²	91.3	16%	0.159	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.1	177.6	-57.6	173.9	0	0	0	109.1	Y52 M54 H93 I94	I45-Y52 HydrophobicContact CG2-CD2 4.24Å; I45-Y52 PolarHBondContact N-O 2.79Å; I45-Y52 PolarHBondContact O-N 3.22Å; I45-M54 HydrophobicContact CD1-CG 4.27Å; I45-H93 HydrophobicContact CG2-CB 3.8Å; I45-I94 WeakPolarHBondContact CA-O 3.4Å
46	I	42.4	Very low	35.7	Very low	8 Å²	8	90.1 Å²	90.1	4%	0.041	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.7	175.6	-54.1	177.6	0	0	0	108.4	L24 W27 L51 I94 I96	L24-I46 HydrophobicContact CG-CD1 4.23Å; W27-I46 HydrophobicContact CG-CG2 4.26Å; I46-L51 HydrophobicContact CG1-CD1 4.29Å; I46-I94 HydrophobicContact CB-CB 4.35Å; I46-I94 PolarHBondContact N-O 3.01Å; I46-I94 PolarHBondContact O-N 2.82Å; I46-I96 HydrophobicContact CD1-CD1 3.64Å; I46-I96 HydrophobicContact CG1-CD1 4.33Å
47	G	42.8	Very low	35.9	Very low	5 Å²	5	90.3 Å²	90.3	5%	0.052	43%	0.433	C	S	.	.			trans	-104.7	173.1	166.6	0	0	0	0	0	111.8	Q49 W50	G47-Q49 PolarHBondContact O-N 3.31Å; G47-Q49 VanDerWaalsContact O-N 3.15Å; G47-W50 PolarHBondContact N-O 3.29Å
48	Q	39.6	Very low	35.9	Very low	135 Å²	135	93.2 Å²	93.2	63%	0.631	44%	0.442	S	S	*	.	S	Bend	trans	-58.9	-27.3	179.7	-78	-176	-16.9	0	0	113.9
49	Q	35	Very low	35.6	Very low	142 Å²	142	94.7 Å²	94.7	66%	0.664	44%	0.443	S	S	*	.	S	Bend	trans	-125.3	-13	-175.7	-66.8	-178.8	-5.8	0	0	114.3	G47	G47-Q49 PolarHBondContact O-N 3.31Å; G47-Q49 VanDerWaalsContact O-N 3.15Å
50	W	33.6	Very low	35.6	Very low	164 Å²	164	101.4 Å²	101.4	62%	0.621	47%	0.47	S	S	*	.			trans	-147	146.3	-166.3	-58.9	97.7	0	0	0	112.3	G47 Y52	G47-W50 PolarHBondContact N-O 3.29Å; W50-Y52 HydrophobicContact CB-CD2 4.31Å; W50-Y52 HydrophobicContact CB-CE1 4.02Å; W50-Y52 HydrophobicContact CB-CE2 3.55Å; W50-Y52 WeakPolarHBondContact CB-OH 3.48Å
51	L	35.3	Very low	35.5	Very low	52 Å²	52	95.3 Å²	95.3	27%	0.272	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.6	172.9	-137.8	108.9	0	0	0	108.4	W27 F44 I46 L61	W27-L51 HydrophobicContact CE3-CD1 4.47Å; F44-L51 HydrophobicContact CD1-CD2 3.42Å; F44-L51 VanDerWaalsContact CD1-CD2 3.42Å; F44-L51 HydrophobicContact CD1-CG 4.36Å; F44-L51 HydrophobicContact CE1-CD2 3.32Å; I46-L51 HydrophobicContact CG1-CD1 4.29Å; L51-L61 HydrophobicContact CD2-CD1 3.47Å; L51-L61 VanDerWaalsContact CD2-CD1 3.47Å
52	Y	37.6	Very low	35.4	Very low	82 Å²	82	99.8 Å²	99.8	32%	0.322	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.2	-177.7	-49.4	-94.2	0	0	0	111.2	I45 W50	I45-Y52 HydrophobicContact CG2-CD2 4.24Å; I45-Y52 PolarHBondContact N-O 2.79Å; I45-Y52 PolarHBondContact O-N 3.22Å; W50-Y52 HydrophobicContact CB-CD2 4.31Å; W50-Y52 HydrophobicContact CB-CE1 4.02Å; W50-Y52 HydrophobicContact CB-CE2 3.55Å; W50-Y52 WeakPolarHBondContact CB-OH 3.48Å
53	T	38.7	Very low	35.3	Very low	16 Å²	16	96.9 Å²	96.9	10%	0.098	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	141	164.1	65.6	0	0	0	0	109.1	F44 N55 H56 L61	F44-T53 HydrophobicContact CE2-CG2 4.39Å; F44-T53 HydrophobicContact CZ-CG2 4.47Å; T53-N55 PolarHBondContact O-N 3.26Å; T53-N55 VanDerWaalsContact O-N 3.08Å; T53-H56 PolarHBondContact O-N 3.37Å; T53-L61 HydrophobicContact CG2-CD1 3.72Å; T53-L61 HydrophobicContact CG2-CD2 3.66Å; T53-L61 HydrophobicContact CG2-CG 4.17Å
54	M	32.8	Very low	35.7	Very low	109 Å²	109	95.6 Å²	95.6	54%	0.537	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.1	-176.2	-82.9	-141.5	-77.3	0	0	114.2	H43 I45	H43-M54 HydrophobicContact CB-CE 4.29Å; I45-M54 HydrophobicContact CD1-CG 4.27Å
55	N	34.3	Very low	35.4	Very low	119 Å²	119	95.6 Å²	95.6	64%	0.636	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-15.9	-174.6	-68.8	-2	0	0	0	114.4	T53	T53-N55 PolarHBondContact O-N 3.26Å; T53-N55 VanDerWaalsContact O-N 3.08Å
56	H	30.4	Very low	35.3	Very low	129 Å²	129	98.5 Å²	98.5	60%	0.597	47%	0.47	S	S	*	.	B	Isolated β-bridge	trans	-148.3	107.4	176.7	-72.5	-61.9	0	0	0	111.8	T53 Q58	T53-H56 PolarHBondContact O-N 3.37Å; H56-Q58 PolarHBondContact O-N 2.91Å
57	P	35.3	Very low	35.2	Very low	106 Å²	106	101.2 Å²	101.2	69%	0.688	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	126	170.3	28.5	-30	0	0	0	108.3
58	Q	31.4	Very low	35	Very low	187 Å²	187	104.8 Å²	104.8	87%	0.874	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	53.9	172.5	-51.6	179.5	-19.7	0	0	118.2	H56	H56-Q58 PolarHBondContact O-N 2.91Å
59	R	26.9	Very low	35	Very low	215 Å²	215	100.2 Å²	100.2	81%	0.811	48%	0.483	S	S	*	.			trans	-125.6	132.8	149.6	-84.7	-169.3	176.5	178.7	-0.1	111.5	L61	R59-L61 PolarHBondContact O-N 2.9Å
60	Q	32.4	Very low	35.4	Very low	187 Å²	187	94.9 Å²	94.9	87%	0.874	46%	0.458	S	S	*	.			trans	-57.5	122	166.2	-166.8	173.4	0.2	0	0	107.6	D62	Q60-D62 PolarHBondContact O-N 3.24Å
61	L	31.2	Very low	35.9	Very low	53 Å²	53	92.4 Å²	92.4	28%	0.277	46%	0.456	S	S	.	.			trans	-81.8	113.8	-172.7	-77.1	149.6	0	0	0	110.3	F44 L51 T53 R59	F44-L61 HydrophobicContact CE1-CD1 3.64Å; F44-L61 HydrophobicContact CZ-CD1 3.85Å; F44-L61 HydrophobicContact CZ-CD2 4.35Å; L51-L61 HydrophobicContact CD2-CD1 3.47Å; L51-L61 VanDerWaalsContact CD2-CD1 3.47Å; T53-L61 HydrophobicContact CG2-CD1 3.72Å; T53-L61 HydrophobicContact CG2-CD2 3.66Å; T53-L61 HydrophobicContact CG2-CG 4.17Å; R59-L61 PolarHBondContact O-N 2.9Å
62	D	32.8	Very low	36.2	Very low	146 Å²	146	91.1 Å²	91.1	78%	0.781	46%	0.456	S	S	*	.			trans	-84.2	5.8	169	-72.4	-27.6	0	0	0	113	Q60	Q60-D62 PolarHBondContact O-N 3.24Å
63	N	31.1	Very low	36.4	Very low	73 Å²	73	88 Å²	88	39%	0.39	45%	0.445	S	S	.	.			trans	-118.4	131	-172.3	-72.1	-18.9	0	0	0	113.6	P39	P39-N63 HydrophobicContact CB-CB 4.33Å
64	V	41.2	Very low	36.6	Very low	27 Å²	27	93.8 Å²	93.8	16%	0.164	47%	0.47	C	S	.	.			trans	-102.8	137.2	-161.9	171.2	0	0	0	0	113.1	I31 H33 L34	I31-V64 WeakPolarHBondContact O-CG1 3.42Å; H33-V64 VanDerWaalsContact C-CG2 3.49Å; H33-V64 WeakPolarHBondContact O-CG2 3.38Å; L34-V64 HydrophobicContact CG-CG1 4.43Å
65	I	36.4	Very low	37.1	Very low	21 Å²	21	91.8 Å²	91.8	11%	0.108	47%	0.467	C	S	.	.			trans	-117.8	128.9	178	-60.9	-174.6	0	0	0	109.9	I31 F44 F98	I31-I65 WeakPolarHBondContact CG2-O 3.31Å; F44-I65 HydrophobicContact CD2-CD1 3.51Å; F44-I65 HydrophobicContact CE1-CD1 4.42Å; F44-I65 HydrophobicContact CE2-CD1 3.07Å; F44-I65 HydrophobicContact CE2-CG1 4.17Å; F44-I65 HydrophobicContact CG-CD1 4.38Å; F44-I65 HydrophobicContact CZ-CD1 3.58Å; F44-I65 HydrophobicContact CZ-CG1 4.26Å; I65-F98 HydrophobicContact CD1-CD1 4.33Å; I65-F98 HydrophobicContact CD1-CD2 4.25Å; I65-F98 HydrophobicContact CD1-CE1 3.81Å; I65-F98 HydrophobicContact CD1-CE2 3.66Å; I65-F98 HydrophobicContact CD1-CZ 3.43Å; I65-F98 VanDerWaalsContact CD1-CZ 3.43Å
66	H	39.5	Very low	37.3	Very low	92 Å²	92	88.7 Å²	88.7	43%	0.426	45%	0.449	S	S	.	.			trans	-83.7	135.5	177.4	-168.4	-79	0	0	0	111.7	N68 S69	H66-N68 PolarHBondContact CE1-ND2 3.14Å; H66-N68 PolarHBondContact ND1-N 2.99Å; H66-N68 PolarHBondContact O-N 3.37Å; H66-S69 WeakPolarHBondContact O-CB 2.85Å; H66-S69 PolarHBondContact O-N 2.93Å; H66-S69 PolarHBondContact O-OG 3.47Å
67	F	41	Very low	37.7	Very low	65 Å²	65	85.4 Å²	85.4	29%	0.285	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-48.9	-37.6	-177.4	-89	-83.1	0	0	0	115.2	L24 I31 S69 I70	L24-F67 HydrophobicContact CD2-CE1 4.28Å; I31-F67 HydrophobicContact CB-CE2 4.49Å; I31-F67 HydrophobicContact CD1-CZ 4.38Å; I31-F67 HydrophobicContact CG2-CD2 4.5Å; I31-F67 HydrophobicContact CG2-CE2 4.21Å; F67-S69 PolarHBondContact O-N 3.25Å; F67-I70 HydrophobicContact CD1-CD1 3.8Å; F67-I70 HydrophobicContact CE1-CD1 4.3Å; F67-I70 WeakPolarHBondContact O-CG1 3.49Å; F67-I70 PolarHBondContact O-N 3.35Å; F67-I70 VanDerWaalsContact O-N 3.11Å
68	N	38.6	Very low	38.1	Very low	80 Å²	80	81.9 Å²	81.9	43%	0.428	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-60.8	-10.6	177.6	-67.6	-12.8	0	0	0	114.7	H66	H66-N68 PolarHBondContact CE1-ND2 3.14Å; H66-N68 PolarHBondContact ND1-N 2.99Å; H66-N68 PolarHBondContact O-N 3.37Å
69	S	39.7	Very low	38.1	Very low	40 Å²	40	77 Å²	77	28%	0.28	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-85.8	-13.6	177.7	-56.4	0	0	0	0	113	H66 F67 L71 F98 V99	H66-S69 WeakPolarHBondContact O-CB 2.85Å; H66-S69 PolarHBondContact O-N 2.93Å; H66-S69 PolarHBondContact O-OG 3.47Å; F67-S69 PolarHBondContact O-N 3.25Å; S69-L71 PolarHBondContact O-N 2.81Å; S69-F98 CarbonylContact O-C 3.59Å; S69-F98 WeakPolarHBondContact O-CA 3.33Å; S69-F98 WeakPolarHBondContact O-CB 3.43Å; S69-V99 PolarHBondContact O-N 2.87Å
70	I	43.7	Very low	38.2	Very low	29 Å²	29	69.7 Å²	69.7	15%	0.149	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	121.7	-174.5	-60.2	172.7	0	0	0	110.6	F67 I73 I96 E97	F67-I70 HydrophobicContact CD1-CD1 3.8Å; F67-I70 HydrophobicContact CE1-CD1 4.3Å; F67-I70 WeakPolarHBondContact O-CG1 3.49Å; F67-I70 PolarHBondContact O-N 3.35Å; F67-I70 VanDerWaalsContact O-N 3.11Å; I70-I73 HydrophobicContact CG2-CD1 4.13Å; I70-I73 HydrophobicContact CG2-CG1 3.84Å; I70-I96 HydrophobicContact CB-CG2 4.23Å; I70-I96 HydrophobicContact CD1-CG2 3.79Å; I70-I96 HydrophobicContact CG1-CG2 3.67Å; I70-I96 HydrophobicContact CG2-CG2 3.62Å; I70-E97 CarbonylContact C-O 3.52Å; I70-E97 WeakPolarHBondContact CA-O 3.17Å
71	L	44.5	Very low	38.3	Very low	112 Å²	112	63.3 Å²	63.3	59%	0.586	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	-33.7	176.2	-73.8	172.7	0	0	0	112.6	S69 E97 V99	S69-L71 PolarHBondContact O-N 2.81Å; L71-E97 HydrophobicContact CB-CG 4.34Å; L71-E97 PolarHBondContact N-O 2.86Å; L71-V99 HydrophobicContact CD1-CG2 3.72Å; L71-V99 HydrophobicContact CD2-CG2 3.5Å; L71-V99 VanDerWaalsContact CD2-CG2 3.5Å; L71-V99 HydrophobicContact CG-CG2 3.52Å
72	G	40.1	Very low	38.2	Very low	25 Å²	25	68.9 Å²	68.9	26%	0.258	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	152.1	-173.5	0	0	0	0	0	112.5	E97	G72-E97 PolarHBondContact N-O 3.16Å; G72-E97 PolarHBondContact O-N 2.88Å
73	I	42.8	Very low	38	Very low	18 Å²	18	68.4 Å²	68.4	9%	0.092	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.1	174.5	-58	-168.4	0	0	0	108.3	L12 L24 I70 I94 C95 I96	L12-I73 HydrophobicContact CD1-CD1 4.29Å; L12-I73 HydrophobicContact CD2-CB 4.27Å; L12-I73 HydrophobicContact CD2-CD1 3.36Å; L12-I73 HydrophobicContact CD2-CG1 4.05Å; L12-I73 HydrophobicContact CG-CD1 4.46Å; L24-I73 HydrophobicContact CD1-CD1 4.11Å; I70-I73 HydrophobicContact CG2-CD1 4.13Å; I70-I73 HydrophobicContact CG2-CG1 3.84Å; I73-I94 HydrophobicContact CG2-CG2 3.41Å; I73-I94 VanDerWaalsContact CG2-CG2 3.41Å; I73-C95 CarbonylContact C-O 3.41Å; I73-C95 VanDerWaalsContact CA-O 3.3Å; I73-C95 WeakPolarHBondContact CA-O 3.42Å; I73-I96 HydrophobicContact CD1-CD1 4.34Å; I73-I96 HydrophobicContact CD1-CG1 4.14Å; I73-I96 HydrophobicContact CD1-CG2 4.38Å; I73-I96 HydrophobicContact CG1-CG1 4.17Å; I73-I96 HydrophobicContact CG1-CG2 4.2Å; I73-I96 HydrophobicContact CG2-CG1 4.46Å
74	E	43.5	Very low	38	Very low	136 Å²	136	69.1 Å²	69.1	64%	0.636	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.1	177.8	-69.1	-168.1	157.9	0	0	110.4	I76 C95	E74-I76 HydrophobicContact CB-CG1 4.35Å; E74-C95 PolarHBondContact N-O 3.16Å; E74-C95 WeakPolarHBondContact O-CB 3.49Å; E74-C95 PolarHBondContact O-N 2.87Å
75	C	42	Very low	37.4	Very low	68 Å²	68	73.2 Å²	73.2	46%	0.459	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	114.4	170.1	-166.9	0	0	0	0	107.9	H93	C75-H93 CarbonylContact C-O 3.6Å; C75-H93 WeakPolarHBondContact CA-O 3.48Å
76	I	39.1	Very low	37	Very low	53 Å²	53	79.6 Å²	79.6	27%	0.272	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.2	-177.3	-52.9	-178.5	0	0	0	108.1	E74 L79 H93 C95	E74-I76 HydrophobicContact CB-CG1 4.35Å; I76-L79 HydrophobicContact CG2-CB 4.36Å; I76-H93 PolarHBondContact N-O 3.32Å; I76-H93 WeakPolarHBondContact O-CB 3.3Å; I76-H93 PolarHBondContact O-N 2.98Å; I76-H93 VanDerWaalsContact O-N 3.15Å; I76-C95 HydrophobicContact CD1-CB 3.45Å; I76-C95 VanDerWaalsContact CD1-CB 3.45Å; I76-C95 HydrophobicContact CG1-CB 3.92Å
77	G	39.2	Very low	36.7	Very low	61 Å²	61	80.9 Å²	80.9	63%	0.629	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.9	166.9	0	0	0	0	0	110.6	L79	G77-L79 PolarHBondContact O-N 3.23Å; G77-L79 VanDerWaalsContact O-N 3.13Å
78	D	43.6	Very low	36.3	Very low	32 Å²	32	82.6 Å²	82.6	17%	0.171	47%	0.47	C	S	.	.			trans	25.6	62.9	166.9	-87.8	-51.1	0	0	0	119.2	A80 M81 N90 Y91 H93	D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 2.87Å; D78-M81 HydrophobicContact CB-CB 4.38Å; D78-M81 PolarHBondContact O-N 3.44Å; D78-N90 WeakPolarHBondContact OD2-CA 3.32Å; D78-Y91 PolarHBondContact OD2-N 3.34Å; D78-H93 IonicContact OD1-CD2 2.66Å; D78-H93 IonicContact OD1-NE2 3.54Å
79	L	30.2	Very low	35.9	Very low	84 Å²	84	87 Å²	87	44%	0.44	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-31.9	166.8	-163.3	79.5	0	0	0	112	I76 G77 M81 F82	I76-L79 HydrophobicContact CG2-CB 4.36Å; G77-L79 PolarHBondContact O-N 3.23Å; G77-L79 VanDerWaalsContact O-N 3.13Å; L79-M81 PolarHBondContact O-N 3.45Å; L79-F82 PolarHBondContact O-N 2.79Å
80	A	30.2	Very low	35.6	Very low	61 Å²	61	90.5 Å²	90.5	50%	0.504	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-28.5	-177.9	0	0	0	0	0	112.4	D78 T84	D78-A80 VanDerWaalsContact C-N 3.25Å; D78-A80 PolarHBondContact O-N 2.87Å; A80-T84 PolarHBondContact O-OG1 2.83Å
81	M	33.6	Very low	35.2	Very low	53 Å²	53	94.1 Å²	94.1	26%	0.261	51%	0.509	S	S	.	.	H	α-helix	trans	-94.8	-18.5	-176.4	-117.6	-170.5	79	0	0	114.7	D78 L79 L83 T84 C85 I87	D78-M81 HydrophobicContact CB-CB 4.38Å; D78-M81 PolarHBondContact O-N 3.44Å; L79-M81 PolarHBondContact O-N 3.45Å; M81-L83 PolarHBondContact O-N 3.4Å; M81-T84 PolarHBondContact O-N 2.96Å; M81-C85 PolarHBondContact O-N 3.3Å; M81-C85 VanDerWaalsContact O-N 3.1Å; M81-I87 WeakPolarHBondContact CE-O 3.21Å; M81-I87 HydrophobicContact CG-CB 4.3Å; M81-I87 VanDerWaalsContact SD-C 3.6Å; M81-I87 HydrophobicContact SD-CB 3.67Å; M81-I87 HydrophobicContact SD-CG2 4.05Å
82	F	29.3	Very low	34.9	Very low	170 Å²	170	94.2 Å²	94.2	75%	0.746	51%	0.51	S	S	*	.	H	α-helix	trans	-61.3	-28.6	165.4	-177.8	-98.8	0	0	0	111.2	L79	L79-F82 PolarHBondContact O-N 2.79Å
83	L	28.8	Very low	35	Very low	136 Å²	136	94 Å²	94	71%	0.712	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-18.2	-177.5	-68.6	174.3	0	0	0	114.5	M81	M81-L83 PolarHBondContact O-N 3.4Å
84	T	31.6	Very low	35	Very low	89 Å²	89	93.6 Å²	93.6	55%	0.546	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-4.6	-173.7	59.6	0	0	0	0	116	A80 M81 Q86	A80-T84 PolarHBondContact O-OG1 2.83Å; M81-T84 PolarHBondContact O-N 2.96Å; T84-Q86 PolarHBondContact O-N 3.36Å
85	C	27.9	Very low	35.1	Very low	113 Å²	113	88.3 Å²	88.3	76%	0.764	48%	0.478	S	S	*	.			trans	46	28.4	172	-72.1	0	0	0	0	115.8	M81	M81-C85 PolarHBondContact O-N 3.3Å; M81-C85 VanDerWaalsContact O-N 3.1Å
86	Q	28.9	Very low	35.4	Very low	155 Å²	155	85.6 Å²	85.6	72%	0.724	46%	0.459	S	S	*	.			trans	-144.9	104.1	178	-69	-175.2	-5.4	0	0	107	T84	T84-Q86 PolarHBondContact O-N 3.36Å
87	I	32.1	Very low	35.5	Very low	119 Å²	119	87.7 Å²	87.7	61%	0.61	47%	0.468	S	S	*	.			trans	167.9	153.7	150.1	-84.5	152	0	0	0	109.7	M81	M81-I87 WeakPolarHBondContact CE-O 3.21Å; M81-I87 HydrophobicContact CG-CB 4.3Å; M81-I87 VanDerWaalsContact SD-C 3.6Å; M81-I87 HydrophobicContact SD-CB 3.67Å; M81-I87 HydrophobicContact SD-CG2 4.05Å
88	T	32.5	Very low	35.9	Very low	100 Å²	100	85.4 Å²	85.4	61%	0.613	44%	0.44	S	S	*	.	S	Bend	trans	-111.8	18.8	-166.4	43.4	0	0	0	0	114.9
89	R	31.8	Very low	35.7	Very low	173 Å²	173	87.1 Å²	87.1	65%	0.653	45%	0.452	S	S	*	.			trans	-144.2	132	178.7	-67.6	-172.8	178.4	175	0.1	112.3
90	N	31.8	Very low	36.2	Very low	114 Å²	114	85.2 Å²	85.2	61%	0.61	45%	0.446	S	S	*	.			trans	-84.8	131.9	-178.5	-68.7	-7.6	0	0	0	112.1	D78	D78-N90 WeakPolarHBondContact OD2-CA 3.32Å
91	Y	36.5	Very low	36.3	Very low	105 Å²	105	90.8 Å²	90.8	41%	0.412	46%	0.459	S	S	.	.			trans	-119.1	135.4	168.4	-62.7	-79.7	0	0	0	110.7	D78 H93	D78-Y91 PolarHBondContact OD2-N 3.34Å; Y91-H93 PolarHBondContact O-CD2 3.02Å
92	N	38.2	Very low	36.1	Very low	113 Å²	113	95.1 Å²	95.1	60%	0.604	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.4	170.9	-69.8	-15.3	0	0	0	108.8
93	H	42.2	Very low	36	Very low	21 Å²	21	94.2 Å²	94.2	10%	0.097	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.5	179.2	-70.5	-70.8	0	0	0	110.8	I45 C75 I76 D78 Y91	I45-H93 HydrophobicContact CG2-CB 3.8Å; C75-H93 CarbonylContact C-O 3.6Å; C75-H93 WeakPolarHBondContact CA-O 3.48Å; I76-H93 PolarHBondContact N-O 3.32Å; I76-H93 WeakPolarHBondContact O-CB 3.3Å; I76-H93 PolarHBondContact O-N 2.98Å; I76-H93 VanDerWaalsContact O-N 3.15Å; D78-H93 IonicContact OD1-CD2 2.66Å; D78-H93 IonicContact OD1-NE2 3.54Å; Y91-H93 PolarHBondContact O-CD2 3.02Å
94	I	42.6	Very low	35.9	Very low	10 Å²	10	95.4 Å²	95.4	5%	0.051	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.6	175.6	-54.9	175.1	0	0	0	108.7	D20 L24 I45 I46 I73 I96	D20-I94 HydrophobicContact CB-CD1 4.38Å; L24-I94 HydrophobicContact CD1-CD1 4.29Å; L24-I94 HydrophobicContact CD1-CG2 4Å; I45-I94 WeakPolarHBondContact CA-O 3.4Å; I46-I94 HydrophobicContact CB-CB 4.35Å; I46-I94 PolarHBondContact N-O 3.01Å; I46-I94 PolarHBondContact O-N 2.82Å; I73-I94 HydrophobicContact CG2-CG2 3.41Å; I73-I94 VanDerWaalsContact CG2-CG2 3.41Å; I94-I96 HydrophobicContact CG2-CG1 4.31Å
95	C	44.9	Very low	35.6	Very low	24 Å²	24	99.6 Å²	99.6	16%	0.162	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.8	174.4	-172.6	0	0	0	0	110.4	F44 I73 E74 I76	F44-C95 CarbonylContact O-C 3.51Å; F44-C95 WeakPolarHBondContact O-CA 3.32Å; I73-C95 CarbonylContact C-O 3.41Å; I73-C95 VanDerWaalsContact CA-O 3.3Å; I73-C95 WeakPolarHBondContact CA-O 3.42Å; E74-C95 PolarHBondContact N-O 3.16Å; E74-C95 WeakPolarHBondContact O-CB 3.49Å; E74-C95 PolarHBondContact O-N 2.87Å; I76-C95 HydrophobicContact CD1-CB 3.45Å; I76-C95 VanDerWaalsContact CD1-CB 3.45Å; I76-C95 HydrophobicContact CG1-CB 3.92Å
96	I	48.1	Very low	35.6	Very low	11 Å²	11	103 Å²	103	6%	0.056	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.7	-179.9	-54.2	-179.3	0	0	0	108.9	L24 H43 F44 I46 I70 I73 I94	L24-I96 HydrophobicContact CD1-CD1 4.4Å; H43-I96 WeakPolarHBondContact CA-O 3.42Å; F44-I96 HydrophobicContact CB-CB 4.33Å; F44-I96 PolarHBondContact N-O 2.77Å; F44-I96 VanDerWaalsContact N-O 3.11Å; F44-I96 PolarHBondContact O-N 3.13Å; I46-I96 HydrophobicContact CD1-CD1 3.64Å; I46-I96 HydrophobicContact CG1-CD1 4.33Å; I70-I96 HydrophobicContact CB-CG2 4.23Å; I70-I96 HydrophobicContact CD1-CG2 3.79Å; I70-I96 HydrophobicContact CG1-CG2 3.67Å; I70-I96 HydrophobicContact CG2-CG2 3.62Å; I73-I96 HydrophobicContact CD1-CD1 4.34Å; I73-I96 HydrophobicContact CD1-CG1 4.14Å; I73-I96 HydrophobicContact CD1-CG2 4.38Å; I73-I96 HydrophobicContact CG1-CG1 4.17Å; I73-I96 HydrophobicContact CG1-CG2 4.2Å; I73-I96 HydrophobicContact CG2-CG1 4.46Å; I94-I96 HydrophobicContact CG2-CG1 4.31Å
97	E	41.2	Very low	35.4	Very low	97 Å²	97	107.1 Å²	107.1	45%	0.453	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.5	173.9	-171.6	-177.1	-172.5	0	0	109.9	I70 L71 G72	I70-E97 CarbonylContact C-O 3.52Å; I70-E97 WeakPolarHBondContact CA-O 3.17Å; L71-E97 HydrophobicContact CB-CG 4.34Å; L71-E97 PolarHBondContact N-O 2.86Å; G72-E97 PolarHBondContact N-O 3.16Å; G72-E97 PolarHBondContact O-N 2.88Å
98	F	48.9	Very low	35.1	Very low	13 Å²	13	111.3 Å²	111.3	6%	0.057	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.7	-179.4	54.1	-85	0	0	0	114	F41 K42 H43 F44 I65 S69 S100	F41-F98 VanDerWaalsContact C-CE2 3.43Å; F41-F98 HydrophobicContact CB-CE2 4.47Å; F41-F98 HydrophobicContact CB-CZ 3.86Å; F41-F98 WeakPolarHBondContact O-CE2 3.02Å; F41-F98 VanDerWaalsContact O-CZ 3.23Å; F41-F98 WeakPolarHBondContact O-CZ 3.47Å; K42-F98 VanDerWaalsContact C-CZ 3.43Å; K42-F98 WeakPolarHBondContact O-CD1 3.34Å; K42-F98 WeakPolarHBondContact O-CE1 3.45Å; H43-F98 VanDerWaalsContact N-CE1 3.27Å; F44-F98 AromaticContact CD2-CE1 3.66Å; F44-F98 HydrophobicContact CD2-CE1 3.66Å; F44-F98 AromaticContact CD2-CZ 3.95Å; F44-F98 HydrophobicContact CD2-CZ 3.95Å; F44-F98 HydrophobicContact CE2-CE1 4.35Å; F44-F98 HydrophobicContact CE2-CZ 4.21Å; I65-F98 HydrophobicContact CD1-CD1 4.33Å; I65-F98 HydrophobicContact CD1-CD2 4.25Å; I65-F98 HydrophobicContact CD1-CE1 3.81Å; I65-F98 HydrophobicContact CD1-CE2 3.66Å; I65-F98 HydrophobicContact CD1-CZ 3.43Å; I65-F98 VanDerWaalsContact CD1-CZ 3.43Å; S69-F98 CarbonylContact O-C 3.59Å; S69-F98 WeakPolarHBondContact O-CA 3.33Å; S69-F98 WeakPolarHBondContact O-CB 3.43Å; F98-S100 PolarHBondContact O-N 3.14Å; F98-S100 VanDerWaalsContact O-N 3.1Å
99	V	37.9	Very low	34.7	Very low	69 Å²	69	110.8 Å²	110.8	42%	0.418	54%	0.541	S	S	.	.			trans	-68.8	102.5	173.6	-172.9	0	0	0	0	109	S69 L71 K101	S69-V99 PolarHBondContact O-N 2.87Å; L71-V99 HydrophobicContact CD1-CG2 3.72Å; L71-V99 HydrophobicContact CD2-CG2 3.5Å; L71-V99 VanDerWaalsContact CD2-CG2 3.5Å; L71-V99 HydrophobicContact CG-CG2 3.52Å; V99-K101 PolarHBondContact O-N 3.3Å
100	S	40.4	Very low	34.4	Very low	44 Å²	44	106.4 Å²	106.4	31%	0.308	55%	0.551	S	S	.	*			trans	-70.3	119.3	156.7	90.1	0	0	0	0	106.4	F98 L102	F98-S100 PolarHBondContact O-N 3.14Å; F98-S100 VanDerWaalsContact O-N 3.1Å; S100-L102 PolarHBondContact O-N 2.91Å
101	K	33.5	Very low	34	Very low	178 Å²	178	111.2 Å²	111.2	77%	0.774	57%	0.566	S	S	*	*			trans	-70	78.1	179.5	-82.1	-170.4	178	-175.5	0	110.4	V99	V99-K101 PolarHBondContact O-N 3.3Å
102	L	28.9	Very low	33.5	Very low	144 Å²	144	111.3 Å²	111.3	75%	0.754	58%	0.582	S	S	*	*			trans	-93.3	117.7	147.1	-115.6	118.8	0	0	0	106.2	S100	S100-L102 PolarHBondContact O-N 2.91Å
103	N	26.5	Very low	32.9	Very low	151 Å²	151	112.3 Å²	112.3	81%	0.807	59%	0.592	S	S	*	*	S	Bend	trans	129.2	34.7	167.3	-62.3	-18.9	0	0	0	116.6
104	Q	26.5	Very low	31.9	Very low	160 Å²	160	120.3 Å²	120.3	75%	0.748	63%	0.627	S	S	*	*			trans	-126.4	31	157.7	-76.5	-170.5	-16.7	0	0	114.1
105	Q	27.1	Very low	31.1	Very low	178 Å²	178	130 Å²	130	83%	0.832	67%	0.668	S	S	*	*	S	Bend	trans	-112.6	27.4	164.1	-82.3	-163.6	-12.9	0	0	114.1
106	H	27.3	Very low	30	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.856	70%	0.697	S	S	*	*	S	Bend	trans	-141.1	80	156.4	-80.6	-55.7	0	0	0	110.6
107	R	24.9	Very low	28.8	Very low	240 Å²	240	143.6 Å²	143.6	91%	0.906	74%	0.735	S	S	*	*	S	Bend	trans	-178.5	91.7	139.2	-96.5	160.4	-171.1	-166.5	3.6	110.6
108	K	25.9	Very low	27.8	Very low	208 Å²	208	147.4 Å²	147.4	90%	0.904	75%	0.753	S	S	*	*			trans	56	106.1	143.2	-62.9	-175.5	176.8	-177.8	0	119.7
109	G	23.8	Very low	26.5	Very low	88 Å²	88	155.8 Å²	155.8	91%	0.907	79%	0.789	S	S	*	*				65	103.9	116.5	0	0	0	0	0	118.9
110	G	25.7	Very low	25.7	Very low	82 Å²	82	158.7 Å²	158.7	85%	0.845	81%	0.807	S	S	*	*			trans	-163.6	91.1	162.3	0	0	0	0	0	110.7
111	K	22.9	Very low	24.8	Very low	214 Å²	214	165.1 Å²	165.1	93%	0.93	83%	0.829	S	S	*	*			trans	-62.8	142.7	173.3	-65.7	173.2	175.2	175.1	0	110.5
112	S	25.4	Very low	24.1	Very low	108 Å²	108	165.1 Å²	165.1	76%	0.755	83%	0.83	S	S	*	*			trans	168.2	98	131	-175.4	0	0	0	0	110
113	V	25.3	Very low	23.9	Very low	133 Å²	133	164 Å²	164	81%	0.806	83%	0.828	S	S	*	*				95.7	115.5	98.8	171.9	0	0	0	0	113.1
114	K	21.9	Very low	23.7	Very low	190 Å²	190	164 Å²	164	83%	0.826	83%	0.829	S	S	*	*			trans	-35.7	140.9	162.2	-68	169.4	170.2	176.2	0	113.5
115	K	26.4	Very low	23.5	Very low	212 Å²	212	166 Å²	166	92%	0.922	84%	0.835	S	S	*	*			trans	-156.4	130.7	131.7	-109	171.8	-169.6	-176.2	0	112.5
116	T	20.8	Very low	23.3	Very low	125 Å²	125	165.7 Å²	165.7	77%	0.767	84%	0.837	S	S	*	*			trans	-86.4	161.8	-174	-24.6	0	0	0	0	111.3
117	K	23.4	Very low	23.1	Very low	196 Å²	196	164.9 Å²	164.9	85%	0.852	83%	0.834	S	S	*	*			trans	99.8	103.7	154.9	-67.8	-179.7	174.2	-178.5	0	119
118	Q	20	Very low	23	Very low	178 Å²	178	159.5 Å²	159.5	83%	0.832	83%	0.828	S	S	*	*				-6	122.8	128.4	-70.1	174.8	-16.6	0	0	117
119	K	21.5	Very low	23	Very low	188 Å²	188	159.4 Å²	159.4	82%	0.817	83%	0.828	S	S	*	*				155.6	148.7	111.7	-89.9	-171.4	174.8	177	0	110.9
120	V	22.6	Very low	22.9	Very low	131 Å²	131	163.6 Å²	163.6	79%	0.794	82%	0.824	S	S	*	*			trans	94	96.5	157	-159.9	0	0	0	0	118.1
121	K	19.9	Very low	23	Very low	179 Å²	179	169.7 Å²	169.7	78%	0.778	83%	0.827	S	S	*	*				27.7	131.7	120.9	-95.3	-178.9	177.7	-176.6	0	120.7
122	F	20.6	Very low	22.9	Very low	178 Å²	178	168.1 Å²	168.1	78%	0.781	82%	0.823	S	S	*	*			trans	95.5	141.1	143.3	-96.2	-83	0	0	0	121.3
123	T	23.6	Very low	22.8	Very low	119 Å²	119	169.1 Å²	169.1	73%	0.73	83%	0.828	S	S	*	*			trans	83.8	100.1	158.7	50.9	0	0	0	0	121
124	D	22.1	Very low	23	Very low	153 Å²	153	168.5 Å²	168.5	82%	0.818	83%	0.827	S	S	*	*				29.3	141.6	124	-69.1	-25.5	0	0	0	122.6
125	K	22.1	Very low	23	Very low	200 Å²	200	166.1 Å²	166.1	87%	0.87	82%	0.822	S	S	*	*			trans	75	103.7	161.8	-66.7	178.9	-179.9	-176.1	0	117.1
126	I	24.2	Very low	22.9	Very low	172 Å²	172	166 Å²	166	88%	0.882	82%	0.821	S	S	*	*			trans	-137.5	130.1	135.9	-59.9	-175.6	0	0	0	109.4
127	E	23.2	Very low	23	Very low	168 Å²	168	166.1 Å²	166.1	79%	0.785	82%	0.817	S	S	*	*			trans	-62.9	151.3	-173.2	-71.7	150.8	145.1	0	0	115.9
128	T	23	Very low	23.1	Very low	128 Å²	128	164.2 Å²	164.2	79%	0.785	82%	0.816	S	S	*	*			trans	-22.1	123.9	146.7	36.6	0	0	0	0	115.5
129	K	25.2	Very low	23.3	Very low	206 Å²	206	162.2 Å²	162.2	90%	0.896	82%	0.816	S	S	*	*			trans	-112.5	98	153.1	-80	-169.9	174.6	-177.5	0	108.9
130	E	22.2	Very low	23.5	Very low	176 Å²	176	160.5 Å²	160.5	82%	0.822	82%	0.816	S	S	*	*			trans	-55.9	137.8	163.7	-70.4	171.2	148.2	0	0	110.2
131	K	26.6	Very low	23.9	Very low	210 Å²	210	161.8 Å²	161.8	91%	0.913	82%	0.817	S	S	*	*			trans	-127.5	95.5	159.1	-83.2	-168.3	173.9	-172.2	0	106.8
132	E	20.3	Very low	24.3	Very low	180 Å²	180	160.3 Å²	160.3	84%	0.841	82%	0.817	S	S	*	*			trans	-56.8	143.3	161.4	-68.4	175.2	132.8	0	0	110.8
133	C	24	Very low	24.5	Very low	129 Å²	129	160.9 Å²	160.9	87%	0.872	82%	0.822	S	S	*	*			trans	-165.7	149.7	143.9	-97.6	0	0	0	0	108.7
134	P	29.8	Very low	24.6	Very low	121 Å²	121	163 Å²	163	79%	0.786	82%	0.824	S	S	*	*				-107.5	163.9	-118.4	36.8	-34.5	0	0	0	115.1
135	I	21.2	Very low	25	Very low	140 Å²	140	163.7 Å²	163.7	72%	0.718	83%	0.828	S	S	*	*			trans	-44.7	132.2	168.7	-61.3	160.1	0	0	0	111.1	D137	I135-D137 WeakPolarHBondContact CG2-OD1 3.45Å
136	K	24	Very low	25.1	Very low	209 Å²	209	163.3 Å²	163.3	91%	0.909	83%	0.829	S	S	*	*			trans	-111.4	110.8	153.5	-83.8	-171	174.3	-173.4	0	106.9
137	D	24	Very low	25	Very low	128 Å²	128	161.7 Å²	161.7	68%	0.684	82%	0.821	S	S	*	*			trans	-64.1	168.5	172.5	-66.6	-54.7	0	0	0	112.4	I135	I135-D137 WeakPolarHBondContact CG2-OD1 3.45Å
138	D	24.9	Very low	25.1	Very low	155 Å²	155	161.6 Å²	161.6	83%	0.829	83%	0.825	S	S	*	*			trans	85.9	76.8	164.5	-58.2	-24.6	0	0	0	118.3
139	V	25.5	Very low	25.2	Very low	136 Å²	136	160.2 Å²	160.2	82%	0.824	82%	0.82	S	S	*	*			trans	-139.7	91	130.5	-172.6	0	0	0	0	109.4	I141	V139-I141 PolarHBondContact O-N 3.47Å
140	N	25.6	Very low	25.2	Very low	153 Å²	153	155.8 Å²	155.8	82%	0.818	82%	0.815	S	S	*	*			trans	-0.7	95.8	153.8	-146.4	0.9	0	0	0	116
141	I	29.3	Very low	25.3	Very low	158 Å²	158	156.8 Å²	156.8	81%	0.81	82%	0.817	S	S	*	*			trans	-90.7	93.4	168.6	-59	169.2	0	0	0	105.9	V139	V139-I141 PolarHBondContact O-N 3.47Å
142	D	28.5	Very low	25.3	Very low	147 Å²	147	154.1 Å²	154.1	79%	0.786	82%	0.818	S	S	*	*			trans	-165.4	21.7	163.9	-99.7	-18.9	0	0	0	115.4
143	Q	25.4	Very low	25.6	Very low	191 Å²	191	151.2 Å²	151.2	89%	0.893	81%	0.812	S	S	*	*	S	Bend	trans	-143	42.3	176.4	-75.5	-164.3	-13.1	0	0	116.2
144	Q	25.1	Very low	25.8	Very low	163 Å²	163	153.2 Å²	153.2	76%	0.762	81%	0.809	S	S	*	*			trans	-146.6	25	169.9	-119.1	175.7	16.3	0	0	117.7	E146	Q144-E146 VanDerWaalsContact C-N 3.31Å; Q144-E146 PolarHBondContact O-N 3.41Å
145	D	30.3	Very low	25.7	Very low	167 Å²	167	153.4 Å²	153.4	89%	0.893	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	17.1	177.2	-85.9	-17.6	0	0	0	115.5
146	E	24.5	Very low	26	Very low	193 Å²	193	158.1 Å²	158.1	90%	0.902	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121	37.1	175	-115	-177.3	-174.5	0	0	114.3	Q144	Q144-E146 VanDerWaalsContact C-N 3.31Å; Q144-E146 PolarHBondContact O-N 3.41Å
147	I	23.5	Very low	26.2	Very low	138 Å²	138	156 Å²	156	71%	0.708	81%	0.807	S	S	*	*			trans	-123.2	54.4	160.4	-46.5	179.5	0	0	0	109.7	S149	I147-S149 PolarHBondContact O-N 3.36Å
148	L	24.4	Very low	26.3	Very low	166 Å²	166	154 Å²	154	87%	0.869	80%	0.796	S	S	*	*			trans	-84.6	85.3	151.6	-88.2	162.8	0	0	0	108.3
149	S	24.8	Very low	26.5	Very low	98 Å²	98	150.1 Å²	150.1	69%	0.685	78%	0.779	S	S	*	*	S	Bend	trans	163.3	137.9	139.1	52.7	0	0	0	0	111.6	I147	I147-S149 PolarHBondContact O-N 3.36Å
150	S	25.4	Very low	26.5	Very low	114 Å²	114	146.8 Å²	146.8	80%	0.797	76%	0.76	S	S	*	*	S	Bend	trans	80.5	71	173.1	78.5	0	0	0	0	118.3
151	K	24.2	Very low	26.5	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.857	74%	0.743	S	S	*	*			trans	-178.2	75.1	136.2	-101.7	166.6	-175.1	178.5	0	109.8	T153	K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 2.84Å
152	V	27.3	Very low	26.5	Very low	154 Å²	154	139.8 Å²	139.8	93%	0.933	72%	0.724	S	S	*	*			trans	-85.4	95	153.3	178.8	0	0	0	0	105.7
153	T	25.4	Very low	26.5	Very low	118 Å²	118	137.7 Å²	137.7	72%	0.724	71%	0.712	S	S	*	*			trans	-51.7	137	173.1	32.8	0	0	0	0	112.9	K151	K151-T153 VanDerWaalsContact C-N 3.33Å; K151-T153 PolarHBondContact O-N 2.84Å
154	E	28.5	Very low	26.5	Very low	171 Å²	171	131.3 Å²	131.3	80%	0.799	68%	0.683	S	S	*	*			trans	-48.7	162.1	157.1	-63.6	170.3	146.3	0	0	113
155	N	28.2	Very low	26.7	Very low	125 Å²	125	131.6 Å²	131.6	67%	0.668	68%	0.677	S	S	*	*			trans	98.5	71	161.6	-56	-40.2	0	0	0	118.3
156	Y	26.9	Very low	26.7	Very low	239 Å²	239	130 Å²	130	94%	0.937	66%	0.662	S	S	*	*			trans	-124.8	90.5	137.6	-93.7	-89.1	0	0	0	108.6	D158	Y156-D158 PolarHBondContact O-N 3.49Å; Y156-D158 VanDerWaalsContact O-N 3.1Å
157	H	27.9	Very low	26.9	Very low	165 Å²	165	123.3 Å²	123.3	76%	0.764	63%	0.633	S	S	*	*			trans	-75	89.7	168.2	-98.3	-51.5	0	0	0	108.6	P159	H157-P159 WeakPolarHBondContact O-CD 3.22Å
158	D	27.5	Very low	27.1	Very low	87 Å²	87	119.2 Å²	119.2	47%	0.465	61%	0.61	S	S	.	*			trans	-67.3	116.3	172	-172.5	-16.3	0	0	0	109.7	Y156 T160 M161	Y156-D158 PolarHBondContact O-N 3.49Å; Y156-D158 VanDerWaalsContact O-N 3.1Å; D158-T160 PolarHBondContact O-N 3.31Å; D158-T160 VanDerWaalsContact O-N 3.11Å; D158-T160 VanDerWaalsContact OD1-CB 3.22Å; D158-T160 WeakPolarHBondContact OD1-CB 3.23Å; D158-T160 PolarHBondContact OD1-N 3.21Å; D158-T160 PolarHBondContact OD1-OG1 3.5Å; D158-M161 PolarHBondContact O-N 2.97Å
159	P	28.2	Very low	27.4	Very low	73 Å²	73	116.1 Å²	116.1	47%	0.474	59%	0.594	S	S	.	*	H	α-helix	trans	-57.6	-25.3	179.7	-17.4	26.8	0	0	0	113	H157 M161 T162 I163	H157-P159 WeakPolarHBondContact O-CD 3.22Å; P159-M161 PolarHBondContact O-N 3.41Å; P159-T162 PolarHBondContact O-N 3.5Å; P159-I163 PolarHBondContact O-N 2.84Å; P159-I163 VanDerWaalsContact O-N 3.09Å
160	T	26.3	Very low	27.6	Very low	66 Å²	66	116.9 Å²	116.9	41%	0.405	58%	0.583	S	S	.	*	H	α-helix	trans	-58.8	-36.8	175.1	-36.2	0	0	0	0	110.5	D158 I164	D158-T160 PolarHBondContact O-N 3.31Å; D158-T160 VanDerWaalsContact O-N 3.11Å; D158-T160 VanDerWaalsContact OD1-CB 3.22Å; D158-T160 WeakPolarHBondContact OD1-CB 3.23Å; D158-T160 PolarHBondContact OD1-N 3.21Å; D158-T160 PolarHBondContact OD1-OG1 3.5Å; T160-I164 HydrophobicContact CG2-CD1 3.88Å; T160-I164 VanDerWaalsContact O-CB 3.25Å; T160-I164 WeakPolarHBondContact O-CB 3Å; T160-I164 WeakPolarHBondContact O-CD1 3.46Å; T160-I164 WeakPolarHBondContact O-CG1 3.28Å; T160-I164 PolarHBondContact O-N 2.78Å
161	M	25.6	Very low	27.6	Very low	96 Å²	96	114.8 Å²	114.8	47%	0.473	56%	0.562	S	S	.	*	H	α-helix	trans	-71.8	-28.5	176.3	-91.7	-61.5	-91.1	0	0	113.4	D158 P159 I164 R165	D158-M161 PolarHBondContact O-N 2.97Å; P159-M161 PolarHBondContact O-N 3.41Å; M161-I164 HydrophobicContact SD-CG2 4.44Å; M161-R165 VanDerWaalsContact O-CB 3.24Å; M161-R165 WeakPolarHBondContact O-CB 3.48Å; M161-R165 VanDerWaalsContact O-CG 3.28Å; M161-R165 WeakPolarHBondContact O-CG 3.49Å; M161-R165 PolarHBondContact O-N 2.87Å
162	T	28.1	Very low	27.8	Very low	67 Å²	67	107.5 Å²	107.5	41%	0.411	53%	0.534	S	S	.	.	H	α-helix	trans	-74.4	-39.2	177.8	-43.7	0	0	0	0	111.3	P159 K166	P159-T162 PolarHBondContact O-N 3.5Å; T162-K166 WeakPolarHBondContact O-CB 3.15Å; T162-K166 VanDerWaalsContact O-CG 3.32Å; T162-K166 WeakPolarHBondContact O-CG 3.37Å; T162-K166 PolarHBondContact O-N 2.98Å
163	I	28.2	Very low	28	Very low	103 Å²	103	104 Å²	104	53%	0.528	51%	0.51	S	S	.	.	H	α-helix	trans	-69.8	-45.7	173.7	-63.2	173.9	0	0	0	109.9	P159 R165 K166 L167	P159-I163 PolarHBondContact O-N 2.84Å; P159-I163 VanDerWaalsContact O-N 3.09Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 2.98Å; I163-K166 PolarHBondContact O-N 3.18Å; I163-L167 HydrophobicContact CG2-CD1 3.79Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 3.13Å
164	I	26.6	Very low	28.2	Very low	58 Å²	58	101.7 Å²	101.7	30%	0.297	50%	0.496	S	S	.	.	H	α-helix	trans	-58.5	-43.3	174.8	-70.5	166.5	0	0	0	110.6	T160 M161 H168	T160-I164 HydrophobicContact CG2-CD1 3.88Å; T160-I164 VanDerWaalsContact O-CB 3.25Å; T160-I164 WeakPolarHBondContact O-CB 3Å; T160-I164 WeakPolarHBondContact O-CD1 3.46Å; T160-I164 WeakPolarHBondContact O-CG1 3.28Å; T160-I164 PolarHBondContact O-N 2.78Å; M161-I164 HydrophobicContact SD-CG2 4.44Å; I164-H168 WeakPolarHBondContact O-CA 3.24Å; I164-H168 WeakPolarHBondContact O-CB 3.05Å; I164-H168 PolarHBondContact O-N 3.09Å
165	R	29.4	Very low	28.4	Very low	168 Å²	168	99 Å²	99	63%	0.634	49%	0.487	S	S	*	.	H	α-helix	trans	-65.1	-43.3	176	-81.5	-179.7	175	-177.5	-0	112.4	M161 I163 H168 I169	M161-R165 VanDerWaalsContact O-CB 3.24Å; M161-R165 WeakPolarHBondContact O-CB 3.48Å; M161-R165 VanDerWaalsContact O-CG 3.28Å; M161-R165 WeakPolarHBondContact O-CG 3.49Å; M161-R165 PolarHBondContact O-N 2.87Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 2.98Å; R165-H168 PolarHBondContact O-N 3.09Å; R165-I169 WeakPolarHBondContact O-CD1 3.05Å; R165-I169 VanDerWaalsContact O-CG1 3.22Å; R165-I169 WeakPolarHBondContact O-CG1 3.41Å; R165-I169 PolarHBondContact O-N 2.92Å
166	K	29.7	Very low	28.7	Very low	133 Å²	133	97.6 Å²	97.6	58%	0.578	48%	0.475	S	S	*	.	H	α-helix	trans	-62.6	-46.9	177.6	-77.4	177	180	179	0	111.4	T162 I163 I169 Y170	T162-K166 WeakPolarHBondContact O-CB 3.15Å; T162-K166 VanDerWaalsContact O-CG 3.32Å; T162-K166 WeakPolarHBondContact O-CG 3.37Å; T162-K166 PolarHBondContact O-N 2.98Å; I163-K166 PolarHBondContact O-N 3.18Å; K166-I169 WeakPolarHBondContact O-CB 3.27Å; K166-I169 PolarHBondContact O-N 3.39Å; K166-Y170 WeakPolarHBondContact O-CD2 3.18Å; K166-Y170 PolarHBondContact O-N 3.14Å; K166-Y170 VanDerWaalsContact O-N 3.09Å
167	L	28.1	Very low	29	Very low	53 Å²	53	89.5 Å²	89.5	28%	0.277	45%	0.447	S	S	.	.	H	α-helix	trans	-72	-35.1	177.7	-101.4	135.4	0	0	0	113.1	I163 I169 Y170 L171	I163-L167 HydrophobicContact CG2-CD1 3.79Å; I163-L167 WeakPolarHBondContact O-CB 3.43Å; I163-L167 PolarHBondContact O-N 3.13Å; L167-I169 VanDerWaalsContact C-N 3.27Å; L167-I169 PolarHBondContact O-N 3.24Å; L167-Y170 CarbonylContact O-C 3.6Å; L167-Y170 PolarHBondContact O-N 3.36Å; L167-Y170 VanDerWaalsContact O-N 3.17Å; L167-L171 HydrophobicContact CD2-CD1 4.28Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.14Å
168	H	28.7	Very low	29.1	Very low	52 Å²	52	83.6 Å²	83.6	24%	0.241	43%	0.431	C	S	.	.	H	α-helix	trans	-59.3	-42.5	170.8	-175.6	-70.6	0	0	0	109.8	I164 R165 L171 T172 I446	I164-H168 WeakPolarHBondContact O-CA 3.24Å; I164-H168 WeakPolarHBondContact O-CB 3.05Å; I164-H168 PolarHBondContact O-N 3.09Å; R165-H168 PolarHBondContact O-N 3.09Å; H168-L171 PolarHBondContact O-N 2.83Å; H168-T172 WeakPolarHBondContact CE1-CG2 3.21Å; H168-T172 VanDerWaalsContact ND1-CG2 3.33Å; H168-T172 WeakPolarHBondContact ND1-CG2 3.33Å; H168-T172 PolarHBondContact ND1-OG1 3.41Å; H168-T172 VanDerWaalsContact O-CB 3.29Å; H168-T172 WeakPolarHBondContact O-CB 3.29Å; H168-T172 WeakPolarHBondContact O-CG2 3.21Å; H168-T172 PolarHBondContact O-N 3.47Å; H168-T172 PolarHBondContact O-OG1 2.77Å; H168-I446 VanDerWaalsContact CD2-CD1 3.5Å; H168-I446 WeakPolarHBondContact CD2-CD1 3.46Å; H168-I446 VanDerWaalsContact NE2-CD1 3.28Å; H168-I446 WeakPolarHBondContact NE2-CD1 3.44Å
169	I	30.4	Very low	29.3	Very low	101 Å²	101	82.8 Å²	82.8	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-61.2	-46.9	173.5	-67.4	162.5	0	0	0	110.9	R165 K166 L167 L171 T172 D173	R165-I169 WeakPolarHBondContact O-CD1 3.05Å; R165-I169 VanDerWaalsContact O-CG1 3.22Å; R165-I169 WeakPolarHBondContact O-CG1 3.41Å; R165-I169 PolarHBondContact O-N 2.92Å; K166-I169 WeakPolarHBondContact O-CB 3.27Å; K166-I169 PolarHBondContact O-N 3.39Å; L167-I169 VanDerWaalsContact C-N 3.27Å; L167-I169 PolarHBondContact O-N 3.24Å; I169-L171 VanDerWaalsContact C-N 3.28Å; I169-L171 PolarHBondContact O-N 3.36Å; I169-T172 PolarHBondContact O-N 3.02Å; I169-D173 PolarHBondContact O-N 3.1Å
170	Y	28.3	Very low	29.6	Very low	115 Å²	115	82.3 Å²	82.3	45%	0.451	42%	0.417	S	S	.	.	H	α-helix	trans	-60.8	-32.3	176.8	-75.2	-67.1	0	0	0	114	K166 L167 F176 Y505	K166-Y170 WeakPolarHBondContact O-CD2 3.18Å; K166-Y170 PolarHBondContact O-N 3.14Å; K166-Y170 VanDerWaalsContact O-N 3.09Å; L167-Y170 CarbonylContact O-C 3.6Å; L167-Y170 PolarHBondContact O-N 3.36Å; L167-Y170 VanDerWaalsContact O-N 3.17Å; Y170-F176 WeakPolarHBondContact O-CD2 3.12Å; Y170-Y505 AromaticContact CE1-CE1 3.77Å; Y170-Y505 HydrophobicContact CE1-CE1 3.77Å; Y170-Y505 AromaticContact CE1-CZ 3.68Å; Y170-Y505 WeakPolarHBondContact CE1-OH 3.3Å
171	L	26.5	Very low	29.9	Very low	70 Å²	70	82 Å²	82	37%	0.366	41%	0.412	S	S	.	.	H	α-helix	trans	-96	-20.3	-177.6	-68	170.7	0	0	0	114.1	L167 H168 I169 F176 N433	L167-L171 HydrophobicContact CD2-CD1 4.28Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.14Å; H168-L171 PolarHBondContact O-N 2.83Å; I169-L171 VanDerWaalsContact C-N 3.28Å; I169-L171 PolarHBondContact O-N 3.36Å; L171-F176 HydrophobicContact CD2-CE2 3.79Å; L171-F176 HydrophobicContact CD2-CZ 4.2Å; L171-N433 PolarHBondContact O-ND2 3.37Å
172	T	28.7	Very low	30.3	Very low	43 Å²	43	81.2 Å²	81.2	26%	0.264	41%	0.409	S	S	.	.	H	α-helix	trans	-88.5	-7.6	174.1	54.7	0	0	0	0	113.8	H168 I169 T174	H168-T172 WeakPolarHBondContact CE1-CG2 3.21Å; H168-T172 VanDerWaalsContact ND1-CG2 3.33Å; H168-T172 WeakPolarHBondContact ND1-CG2 3.33Å; H168-T172 PolarHBondContact ND1-OG1 3.41Å; H168-T172 VanDerWaalsContact O-CB 3.29Å; H168-T172 WeakPolarHBondContact O-CB 3.29Å; H168-T172 WeakPolarHBondContact O-CG2 3.21Å; H168-T172 PolarHBondContact O-N 3.47Å; H168-T172 PolarHBondContact O-OG1 2.77Å; I169-T172 PolarHBondContact O-N 3.02Å; T172-T174 PolarHBondContact O-N 2.94Å; T172-T174 VanDerWaalsContact O-N 3.1Å
173	D	29.9	Very low	30.6	Very low	82 Å²	82	81.3 Å²	81.3	44%	0.439	41%	0.405	S	S	.	.			trans	-68	112.7	171.8	-158.3	-19.8	0	0	0	109.5	I169 N175 F176	I169-D173 PolarHBondContact O-N 3.1Å; D173-N175 PolarHBondContact O-N 3.32Å; D173-F176 PolarHBondContact O-N 3.13Å
174	T	30.7	Very low	31.1	Very low	68 Å²	68	81.9 Å²	81.9	42%	0.417	40%	0.404	S	S	.	.	S	Bend	trans	-64	-5.6	-170.2	42.7	0	0	0	0	114.5	T172	T172-T174 PolarHBondContact O-N 2.94Å; T172-T174 VanDerWaalsContact O-N 3.1Å
175	N	33.4	Very low	31.5	Very low	115 Å²	115	79.7 Å²	79.7	62%	0.615	39%	0.394	S	S	*	.	S	Bend	trans	-118.2	52.2	178.6	-64.4	-31.8	0	0	0	110.7	D173 I177	D173-N175 PolarHBondContact O-N 3.32Å; N175-I177 WeakPolarHBondContact O-CA 3.42Å; N175-I177 VanDerWaalsContact O-CG1 3.27Å; N175-I177 WeakPolarHBondContact O-CG1 3.27Å; N175-I177 PolarHBondContact O-N 3.29Å
176	F	33.6	Very low	31.7	Very low	96 Å²	96	73.9 Å²	73.9	42%	0.421	38%	0.376	S	S	.	.			trans	-48.7	95.8	-173.9	-164.5	-105.6	0	0	0	112.8	Y170 L171 D173 G178	Y170-F176 WeakPolarHBondContact O-CD2 3.12Å; L171-F176 HydrophobicContact CD2-CE2 3.79Å; L171-F176 HydrophobicContact CD2-CZ 4.2Å; D173-F176 PolarHBondContact O-N 3.13Å; F176-G178 VanDerWaalsContact C-N 3.26Å; F176-G178 PolarHBondContact O-N 2.79Å
177	I	33	Very low	32	Very low	68 Å²	68	70.6 Å²	70.6	35%	0.349	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-13.8	-161.7	-95.1	149.4	0	0	0	112.7	N175 F179 D180 I181 W501	N175-I177 WeakPolarHBondContact O-CA 3.42Å; N175-I177 VanDerWaalsContact O-CG1 3.27Å; N175-I177 WeakPolarHBondContact O-CG1 3.27Å; N175-I177 PolarHBondContact O-N 3.29Å; I177-F179 PolarHBondContact O-N 2.72Å; I177-D180 CarbonylContact O-C 3.46Å; I177-D180 PolarHBondContact O-N 3.49Å; I177-I181 HydrophobicContact CG2-CD1 3.55Å; I177-I181 HydrophobicContact CG2-CG1 3.72Å; I177-I181 VanDerWaalsContact O-CG1 3.3Å; I177-I181 WeakPolarHBondContact O-CG1 3.36Å; I177-I181 PolarHBondContact O-N 3.18Å; I177-W501 HydrophobicContact CG2-CZ2 3.77Å
178	G	30	Very low	32.4	Very low	41 Å²	41	74.8 Å²	74.8	42%	0.423	38%	0.376	S	S	.	.	H	α-helix	trans	-55.4	-36.7	175.9	0	0	0	0	0	113	F176 L182	F176-G178 VanDerWaalsContact C-N 3.26Å; F176-G178 PolarHBondContact O-N 2.79Å; G178-L182 PolarHBondContact O-N 2.95Å; G178-L182 VanDerWaalsContact O-N 3.16Å
179	F	32.1	Very low	32.6	Very low	70 Å²	70	77.6 Å²	77.6	31%	0.307	39%	0.385	S	S	.	.	H	α-helix	trans	-70.2	-42.8	174.5	-170.2	-94.3	0	0	0	112.1	I177 I181 L182 Q183 F265 P267	I177-F179 PolarHBondContact O-N 2.72Å; F179-I181 VanDerWaalsContact C-N 3.33Å; F179-I181 PolarHBondContact O-N 3.12Å; F179-L182 PolarHBondContact O-N 2.9Å; F179-Q183 VanDerWaalsContact O-CB 3.3Å; F179-Q183 WeakPolarHBondContact O-CB 3.28Å; F179-Q183 PolarHBondContact O-N 3.47Å; F179-F265 WeakPolarHBondContact CZ-O 3.45Å; F179-P267 HydrophobicContact CE1-CB 4.37Å; F179-P267 HydrophobicContact CE1-CG 4.2Å; F179-P267 HydrophobicContact CZ-CB 4.18Å; F179-P267 HydrophobicContact CZ-CG 4.29Å
180	D	34.6	Very low	32.7	Very low	63 Å²	63	77.3 Å²	77.3	34%	0.337	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	-33	179	-163.1	31.3	0	0	0	111.6	I177 K184	I177-D180 CarbonylContact O-C 3.46Å; I177-D180 PolarHBondContact O-N 3.49Å; D180-K184 WeakPolarHBondContact O-CB 3.31Å; D180-K184 WeakPolarHBondContact O-CG 3.48Å; D180-K184 PolarHBondContact O-N 3.38Å; D180-K184 WeakPolarHBondContact OD1-CE 3.27Å; D180-K184 IonicContact OD1-NZ 3.67Å; D180-K184 WeakPolarHBondContact OD2-CE 3.46Å; D180-K184 IonicContact OD2-NZ 3.11Å; D180-K184 PolarHBondContact OD2-NZ 3.31Å
181	I	31.9	Very low	33.1	Very low	59 Å²	59	77.5 Å²	77.5	30%	0.303	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-51.2	171.4	-68.5	165.6	0	0	0	110.4	I177 F179 Q183 K184 A185 W501	I177-I181 HydrophobicContact CG2-CD1 3.55Å; I177-I181 HydrophobicContact CG2-CG1 3.72Å; I177-I181 VanDerWaalsContact O-CG1 3.3Å; I177-I181 WeakPolarHBondContact O-CG1 3.36Å; I177-I181 PolarHBondContact O-N 3.18Å; F179-I181 VanDerWaalsContact C-N 3.33Å; F179-I181 PolarHBondContact O-N 3.12Å; I181-Q183 VanDerWaalsContact C-N 3.32Å; I181-Q183 PolarHBondContact O-N 2.86Å; I181-K184 PolarHBondContact O-N 3.42Å; I181-A185 VanDerWaalsContact O-CB 3.31Å; I181-A185 WeakPolarHBondContact O-CB 3.32Å; I181-A185 PolarHBondContact O-N 3.28Å; I181-W501 HydrophobicContact CD1-CD2 3.91Å; I181-W501 HydrophobicContact CD1-CG 4.23Å; I181-W501 HydrophobicContact CD1-CH2 4.47Å; I181-W501 HydrophobicContact CD1-CZ2 3.84Å
182	L	33.8	Very low	33.5	Very low	80 Å²	80	77.7 Å²	77.7	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-44.9	-179.6	-155.2	89.4	0	0	0	110.4	G178 F179 A185 I186 F265	G178-L182 PolarHBondContact O-N 2.95Å; G178-L182 VanDerWaalsContact O-N 3.16Å; F179-L182 PolarHBondContact O-N 2.9Å; L182-A185 PolarHBondContact O-N 2.98Å; L182-I186 HydrophobicContact CD2-CD1 4.21Å; L182-I186 HydrophobicContact CG-CD1 4.09Å; L182-I186 WeakPolarHBondContact O-CB 3.43Å; L182-I186 WeakPolarHBondContact O-CD1 3.31Å; L182-I186 WeakPolarHBondContact O-CG1 3.44Å; L182-I186 PolarHBondContact O-N 2.89Å; L182-F265 HydrophobicContact CD2-CD1 3.98Å; L182-F265 HydrophobicContact CD2-CE1 3.67Å; L182-F265 HydrophobicContact CD2-CZ 4.17Å
183	Q	34.8	Very low	33.8	Very low	69 Å²	69	78.8 Å²	78.8	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-65.4	-41.4	179.1	-165.2	174.8	9.2	0	0	112.2	F179 I181 N187	F179-Q183 VanDerWaalsContact O-CB 3.3Å; F179-Q183 WeakPolarHBondContact O-CB 3.28Å; F179-Q183 PolarHBondContact O-N 3.47Å; I181-Q183 VanDerWaalsContact C-N 3.32Å; I181-Q183 PolarHBondContact O-N 2.86Å; Q183-N187 VanDerWaalsContact O-CB 3.25Å; Q183-N187 WeakPolarHBondContact O-CB 3.31Å; Q183-N187 PolarHBondContact O-N 3.49Å; Q183-N187 PolarHBondContact O-ND2 3.24Å
184	K	38.5	Very low	34	Very low	116 Å²	116	78.2 Å²	78.2	50%	0.504	39%	0.391	S	S	.	.	H	α-helix	trans	-69.1	-41.2	176.7	-78.3	170.2	177.7	162.8	0	112.7	D180 I181 N187 R188	D180-K184 WeakPolarHBondContact O-CB 3.31Å; D180-K184 WeakPolarHBondContact O-CG 3.48Å; D180-K184 PolarHBondContact O-N 3.38Å; D180-K184 WeakPolarHBondContact OD1-CE 3.27Å; D180-K184 IonicContact OD1-NZ 3.67Å; D180-K184 WeakPolarHBondContact OD2-CE 3.46Å; D180-K184 IonicContact OD2-NZ 3.11Å; D180-K184 PolarHBondContact OD2-NZ 3.31Å; I181-K184 PolarHBondContact O-N 3.42Å; K184-N187 PolarHBondContact O-N 3.43Å; K184-R188 WeakPolarHBondContact O-CB 3.45Å; K184-R188 PolarHBondContact O-N 3.25Å
185	A	34.6	Very low	34.4	Very low	12 Å²	12	81.5 Å²	81.5	10%	0.099	40%	0.402	C	S	.	.	H	α-helix	trans	-62	-44.8	176.3	0	0	0	0	0	110.9	I181 L182 R188 W189 F494	I181-A185 VanDerWaalsContact O-CB 3.31Å; I181-A185 WeakPolarHBondContact O-CB 3.32Å; I181-A185 PolarHBondContact O-N 3.28Å; L182-A185 PolarHBondContact O-N 2.98Å; A185-R188 PolarHBondContact O-N 3.45Å; A185-W189 WeakPolarHBondContact O-CB 3.46Å; A185-W189 PolarHBondContact O-N 3.13Å; A185-F494 HydrophobicContact CB-CE1 4.11Å; A185-F494 HydrophobicContact CB-CZ 3.96Å
186	I	33.7	Very low	34.2	Very low	46 Å²	46	81.7 Å²	81.7	24%	0.236	40%	0.398	C	S	.	.	H	α-helix	trans	-64.5	-45.1	175.6	-66.6	167.1	0	0	0	111	L182 R188 W189 Y190 M262 F265	L182-I186 HydrophobicContact CD2-CD1 4.21Å; L182-I186 HydrophobicContact CG-CD1 4.09Å; L182-I186 WeakPolarHBondContact O-CB 3.43Å; L182-I186 WeakPolarHBondContact O-CD1 3.31Å; L182-I186 WeakPolarHBondContact O-CG1 3.44Å; L182-I186 PolarHBondContact O-N 2.89Å; I186-R188 PolarHBondContact O-N 2.91Å; I186-W189 PolarHBondContact O-N 2.81Å; I186-Y190 WeakPolarHBondContact O-CB 3.5Å; I186-Y190 PolarHBondContact O-N 3Å; I186-M262 HydrophobicContact CG2-CE 3.98Å; I186-M262 HydrophobicContact CG2-CG 4.34Å; I186-M262 HydrophobicContact CG2-SD 4.46Å; I186-F265 HydrophobicContact CD1-CD2 3.84Å; I186-F265 HydrophobicContact CD1-CE2 3.9Å; I186-F265 HydrophobicContact CD1-CG 4.39Å; I186-F265 HydrophobicContact CD1-CZ 4.5Å
187	N	37.1	Very low	34.2	Very low	64 Å²	64	82.5 Å²	82.5	34%	0.342	40%	0.401	S	S	.	.	H	α-helix	trans	-63.7	-38.7	178.3	-76.9	-20.2	0	0	0	112.5	Q183 K184 Y190 Q191	Q183-N187 VanDerWaalsContact O-CB 3.25Å; Q183-N187 WeakPolarHBondContact O-CB 3.31Å; Q183-N187 PolarHBondContact O-N 3.49Å; Q183-N187 PolarHBondContact O-ND2 3.24Å; K184-N187 PolarHBondContact O-N 3.43Å; N187-Y190 PolarHBondContact O-N 2.62Å; N187-Q191 WeakPolarHBondContact O-CG 2.98Å; N187-Q191 PolarHBondContact O-N 3Å
188	R	36.2	Very low	34.4	Very low	141 Å²	141	86.3 Å²	86.3	53%	0.532	41%	0.412	S	S	.	.	H	α-helix	trans	-63.6	-46.4	174.7	-108.2	179.8	179	154.7	0.8	111.6	K184 A185 I186 Y190 Q191 S192 E497	K184-R188 WeakPolarHBondContact O-CB 3.45Å; K184-R188 PolarHBondContact O-N 3.25Å; A185-R188 PolarHBondContact O-N 3.45Å; I186-R188 PolarHBondContact O-N 2.91Å; R188-Y190 VanDerWaalsContact C-N 3.33Å; R188-Y190 PolarHBondContact O-N 2.88Å; R188-Q191 PolarHBondContact O-N 3.27Å; R188-S192 PolarHBondContact O-N 2.97Å; R188-S192 PolarHBondContact O-OG 3.41Å; R188-S192 VanDerWaalsContact O-OG 3.08Å; R188-E497 IonicContact CZ-OE1 2.89Å; R188-E497 IonicContact NH1-OE1 2.65Å; R188-E497 PolarHBondContact NH1-OE1 2.9Å
189	W	33.6	Very low	34.5	Very low	110 Å²	110	89.3 Å²	89.3	42%	0.417	42%	0.416	S	S	.	.	H	α-helix	trans	-62.6	-41.6	176.9	-174.2	92.6	0	0	0	111.6	A185 I186 Q191 S192 N193 L258	A185-W189 WeakPolarHBondContact O-CB 3.46Å; A185-W189 PolarHBondContact O-N 3.13Å; I186-W189 PolarHBondContact O-N 2.81Å; W189-Q191 PolarHBondContact O-N 3.02Å; W189-S192 PolarHBondContact O-N 2.94Å; W189-N193 WeakPolarHBondContact CH2-ND2 3.35Å; W189-N193 WeakPolarHBondContact CZ2-ND2 3.23Å; W189-N193 WeakPolarHBondContact O-CB 3.39Å; W189-N193 PolarHBondContact O-N 2.88Å; W189-L258 HydrophobicContact CE3-CD2 4.34Å; W189-L258 HydrophobicContact CH2-CD1 3.57Å; W189-L258 HydrophobicContact CH2-CD2 3.66Å; W189-L258 HydrophobicContact CH2-CG 4.15Å; W189-L258 HydrophobicContact CZ2-CD1 4.27Å; W189-L258 HydrophobicContact CZ2-CD2 4.47Å; W189-L258 HydrophobicContact CZ3-CD1 4.29Å; W189-L258 HydrophobicContact CZ3-CD2 3.58Å; W189-L258 HydrophobicContact CZ3-CG 4.4Å
190	Y	31.3	Very low	34.4	Very low	95 Å²	95	87.4 Å²	87.4	37%	0.373	41%	0.41	S	S	.	.	H	α-helix	trans	-58.9	-44.9	174	-179.5	-100.5	0	0	0	112.3	I186 N187 R188 N194 M262	I186-Y190 WeakPolarHBondContact O-CB 3.5Å; I186-Y190 PolarHBondContact O-N 3Å; N187-Y190 PolarHBondContact O-N 2.62Å; R188-Y190 VanDerWaalsContact C-N 3.33Å; R188-Y190 PolarHBondContact O-N 2.88Å; Y190-N194 WeakPolarHBondContact CE1-ND2 3.23Å; Y190-N194 WeakPolarHBondContact O-CB 3.37Å; Y190-N194 PolarHBondContact O-N 3.49Å; Y190-N194 PolarHBondContact OH-ND2 3.46Å; Y190-N194 VanDerWaalsContact OH-ND2 3.16Å; Y190-M262 HydrophobicContact CD2-SD 3.33Å; Y190-M262 WeakPolarHBondContact CD2-SD 3.42Å; Y190-M262 HydrophobicContact CE2-SD 3.86Å; Y190-M262 HydrophobicContact CG-SD 3.74Å
191	Q	36.5	Very low	34.5	Very low	120 Å²	120	87.3 Å²	87.3	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-63.9	-48.3	176.5	-76.5	177.6	-14.2	0	0	111.7	N187 R188 W189 N193 N194 E195	N187-Q191 WeakPolarHBondContact O-CG 2.98Å; N187-Q191 PolarHBondContact O-N 3Å; R188-Q191 PolarHBondContact O-N 3.27Å; W189-Q191 PolarHBondContact O-N 3.02Å; Q191-N193 VanDerWaalsContact C-N 3.33Å; Q191-N193 PolarHBondContact O-N 3.05Å; Q191-N194 PolarHBondContact O-N 2.83Å; Q191-E195 WeakPolarHBondContact O-CB 3.2Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 3.13Å
192	S	36.4	Very low	34.8	Very low	74 Å²	74	90.3 Å²	90.3	52%	0.517	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-40.1	179.8	-60.5	0	0	0	0	112.6	R188 W189 F196	R188-S192 PolarHBondContact O-N 2.97Å; R188-S192 PolarHBondContact O-OG 3.41Å; R188-S192 VanDerWaalsContact O-OG 3.08Å; W189-S192 PolarHBondContact O-N 2.94Å; S192-F196 VanDerWaalsContact O-CB 3.27Å; S192-F196 WeakPolarHBondContact O-CB 3.43Å; S192-F196 PolarHBondContact O-N 3.14Å
193	N	33.5	Very low	34.7	Very low	65 Å²	65	90.5 Å²	90.5	35%	0.348	42%	0.424	S	S	.	.	H	α-helix	trans	-77.5	-33.8	178.3	-89.7	-28.4	0	0	0	113.7	W189 Q191 F196 K197	W189-N193 WeakPolarHBondContact CH2-ND2 3.35Å; W189-N193 WeakPolarHBondContact CZ2-ND2 3.23Å; W189-N193 WeakPolarHBondContact O-CB 3.39Å; W189-N193 PolarHBondContact O-N 2.88Å; Q191-N193 VanDerWaalsContact C-N 3.33Å; Q191-N193 PolarHBondContact O-N 3.05Å; N193-F196 PolarHBondContact O-N 2.93Å; N193-K197 VanDerWaalsContact O-CB 3.22Å; N193-K197 WeakPolarHBondContact O-CB 3.35Å; N193-K197 PolarHBondContact O-N 2.82Å
194	N	35.6	Very low	34.6	Very low	71 Å²	71	93 Å²	93	38%	0.38	44%	0.438	S	S	.	.	H	α-helix	trans	-67.7	-40.7	172.5	-93.7	-11.8	0	0	0	111.5	Y190 Q191 K197 Y198	Y190-N194 WeakPolarHBondContact CE1-ND2 3.23Å; Y190-N194 WeakPolarHBondContact O-CB 3.37Å; Y190-N194 PolarHBondContact O-N 3.49Å; Y190-N194 PolarHBondContact OH-ND2 3.46Å; Y190-N194 VanDerWaalsContact OH-ND2 3.16Å; Q191-N194 PolarHBondContact O-N 2.83Å; N194-K197 PolarHBondContact O-N 3.36Å; N194-Y198 WeakPolarHBondContact O-CB 3.39Å; N194-Y198 PolarHBondContact O-N 3.02Å
195	E	37.6	Very low	34.5	Very low	136 Å²	136	94.1 Å²	94.1	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-64.6	-40.8	174.3	-74.7	-176.1	171.2	0	0	111.2	Q191 Y198 M199	Q191-E195 WeakPolarHBondContact O-CB 3.2Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 3.13Å; E195-Y198 PolarHBondContact O-N 3.39Å; E195-M199 VanDerWaalsContact O-CB 3.23Å; E195-M199 WeakPolarHBondContact O-CB 3.46Å; E195-M199 PolarHBondContact O-N 2.92Å
196	F	30.8	Very low	34.4	Very low	120 Å²	120	97.7 Å²	97.7	53%	0.526	46%	0.462	S	S	.	.	H	α-helix	trans	-64.5	-44.8	174.6	-172.5	-104.8	0	0	0	112	S192 N193 Y198 M199 V200	S192-F196 VanDerWaalsContact O-CB 3.27Å; S192-F196 WeakPolarHBondContact O-CB 3.43Å; S192-F196 PolarHBondContact O-N 3.14Å; N193-F196 PolarHBondContact O-N 2.93Å; F196-Y198 VanDerWaalsContact C-N 3.35Å; F196-Y198 PolarHBondContact O-N 3.2Å; F196-M199 WeakPolarHBondContact O-CB 3.25Å; F196-M199 PolarHBondContact O-N 3.4Å; F196-V200 HydrophobicContact CD1-CG2 4.26Å; F196-V200 HydrophobicContact CE1-CG2 3.95Å; F196-V200 HydrophobicContact CE2-CG2 4.45Å; F196-V200 HydrophobicContact CZ-CG2 4.06Å; F196-V200 VanDerWaalsContact O-CG2 3.3Å; F196-V200 WeakPolarHBondContact O-CG2 3.28Å; F196-V200 PolarHBondContact O-N 3.16Å
197	K	32.1	Very low	34.6	Very low	113 Å²	113	100 Å²	100	49%	0.491	48%	0.478	S	S	.	.	H	α-helix	trans	-62.1	-43	174.5	-170.8	179.6	-174.5	-179.8	0	111.2	N193 N194 M199 V200 T201	N193-K197 VanDerWaalsContact O-CB 3.22Å; N193-K197 WeakPolarHBondContact O-CB 3.35Å; N193-K197 PolarHBondContact O-N 2.82Å; N194-K197 PolarHBondContact O-N 3.36Å; K197-M199 VanDerWaalsContact C-N 3.34Å; K197-V200 PolarHBondContact O-N 3.24Å; K197-T201 VanDerWaalsContact O-CB 3.31Å; K197-T201 WeakPolarHBondContact O-CB 3.34Å; K197-T201 PolarHBondContact O-N 2.88Å; K197-T201 PolarHBondContact O-OG1 3.42Å
198	Y	38.4	Very low	34.6	Very low	148 Å²	148	103.9 Å²	103.9	58%	0.58	50%	0.499	S	S	*	.	H	α-helix	trans	-64.1	-40.4	177.1	-171.3	-97.6	0	0	0	111.4	N194 E195 F196 T201 K202	N194-Y198 WeakPolarHBondContact O-CB 3.39Å; N194-Y198 PolarHBondContact O-N 3.02Å; E195-Y198 PolarHBondContact O-N 3.39Å; F196-Y198 VanDerWaalsContact C-N 3.35Å; F196-Y198 PolarHBondContact O-N 3.2Å; Y198-T201 PolarHBondContact O-N 3.01Å; Y198-K202 HydrophobicContact CD1-CD 4.37Å; Y198-K202 HydrophobicContact CE1-CD 3.79Å; Y198-K202 VanDerWaalsContact CE1-CE 3.49Å; Y198-K202 HydrophobicContact CE1-CG 4.19Å; Y198-K202 WeakPolarHBondContact O-CB 3.5Å; Y198-K202 PolarHBondContact O-N 3.34Å; Y198-K202 WeakPolarHBondContact OH-CE 3.2Å
199	M	31.4	Very low	34.2	Very low	104 Å²	104	104 Å²	104	51%	0.512	50%	0.503	S	S	.	.	H	α-helix	trans	-63.6	-46.5	174.9	-167.6	-160.8	-47.4	0	0	111.5	E195 F196 K197 K202 L203	E195-M199 VanDerWaalsContact O-CB 3.23Å; E195-M199 WeakPolarHBondContact O-CB 3.46Å; E195-M199 PolarHBondContact O-N 2.92Å; F196-M199 WeakPolarHBondContact O-CB 3.25Å; F196-M199 PolarHBondContact O-N 3.4Å; K197-M199 VanDerWaalsContact C-N 3.34Å; M199-K202 PolarHBondContact O-N 3.42Å; M199-L203 HydrophobicContact CG-CD1 4.16Å; M199-L203 WeakPolarHBondContact O-CB 3.31Å; M199-L203 WeakPolarHBondContact O-CG 3.4Å; M199-L203 PolarHBondContact O-N 3.48Å
200	V	30.4	Very low	33.9	Very low	30 Å²	30	106.2 Å²	106.2	18%	0.182	52%	0.518	C	S	.	.	H	α-helix	trans	-65	-40.7	176.8	173.1	0	0	0	0	110.9	F196 K197 L203 I204	F196-V200 HydrophobicContact CD1-CG2 4.26Å; F196-V200 HydrophobicContact CE1-CG2 3.95Å; F196-V200 HydrophobicContact CE2-CG2 4.45Å; F196-V200 HydrophobicContact CZ-CG2 4.06Å; F196-V200 VanDerWaalsContact O-CG2 3.3Å; F196-V200 WeakPolarHBondContact O-CG2 3.28Å; F196-V200 PolarHBondContact O-N 3.16Å; K197-V200 PolarHBondContact O-N 3.24Å; V200-L203 PolarHBondContact O-N 3.49Å; V200-I204 HydrophobicContact CG1-CD1 3.84Å; V200-I204 HydrophobicContact CG1-CG1 4.43Å; V200-I204 VanDerWaalsContact O-CG1 3.29Å; V200-I204 WeakPolarHBondContact O-CG1 3.34Å; V200-I204 PolarHBondContact O-N 2.89Å
201	T	35.7	Very low	33.7	Very low	60 Å²	60	108.3 Å²	108.3	37%	0.368	53%	0.531	S	S	.	.	H	α-helix	trans	-64.1	-42.7	176.6	-50.1	0	0	0	0	110.5	K197 Y198 I204 H205	K197-T201 VanDerWaalsContact O-CB 3.31Å; K197-T201 WeakPolarHBondContact O-CB 3.34Å; K197-T201 PolarHBondContact O-N 2.88Å; K197-T201 PolarHBondContact O-OG1 3.42Å; Y198-T201 PolarHBondContact O-N 3.01Å; T201-I204 PolarHBondContact O-N 3.2Å; T201-H205 WeakPolarHBondContact O-CB 3.48Å; T201-H205 PolarHBondContact O-CD2 3.23Å; T201-H205 PolarHBondContact O-N 2.96Å
202	K	39.7	Very low	33.3	Very low	123 Å²	123	107.9 Å²	107.9	54%	0.535	54%	0.539	S	S	.	.	H	α-helix	trans	-62.6	-40.5	171.6	-89.1	-164.4	170.2	-176.5	0	112.4	Y198 M199 I204 H205 L206	Y198-K202 HydrophobicContact CD1-CD 4.37Å; Y198-K202 HydrophobicContact CE1-CD 3.79Å; Y198-K202 VanDerWaalsContact CE1-CE 3.49Å; Y198-K202 HydrophobicContact CE1-CG 4.19Å; Y198-K202 WeakPolarHBondContact O-CB 3.5Å; Y198-K202 PolarHBondContact O-N 3.34Å; Y198-K202 WeakPolarHBondContact OH-CE 3.2Å; M199-K202 PolarHBondContact O-N 3.42Å; K202-I204 VanDerWaalsContact C-N 3.34Å; K202-H205 CarbonylContact O-C 3.57Å; K202-H205 PolarHBondContact O-N 3.43Å; K202-L206 WeakPolarHBondContact O-CG 3.11Å; K202-L206 PolarHBondContact O-N 3.05Å
203	L	32	Very low	33	Very low	84 Å²	84	112.4 Å²	112.4	44%	0.44	56%	0.557	S	S	.	*	H	α-helix	trans	-65.1	-36.5	177.2	-83.9	157.5	0	0	0	112.6	M199 V200 L206	M199-L203 HydrophobicContact CG-CD1 4.16Å; M199-L203 WeakPolarHBondContact O-CB 3.31Å; M199-L203 WeakPolarHBondContact O-CG 3.4Å; M199-L203 PolarHBondContact O-N 3.48Å; V200-L203 PolarHBondContact O-N 3.49Å; L203-L206 HydrophobicContact CD2-CD1 4.09Å
204	I	32.6	Very low	32.8	Very low	120 Å²	120	115.4 Å²	115.4	62%	0.615	58%	0.577	S	S	*	*	H	α-helix	trans	-71.2	-34	174.9	-67.5	167.3	0	0	0	111.2	V200 T201 K202	V200-I204 HydrophobicContact CG1-CD1 3.84Å; V200-I204 HydrophobicContact CG1-CG1 4.43Å; V200-I204 VanDerWaalsContact O-CG1 3.29Å; V200-I204 WeakPolarHBondContact O-CG1 3.34Å; V200-I204 PolarHBondContact O-N 2.89Å; T201-I204 PolarHBondContact O-N 3.2Å; K202-I204 VanDerWaalsContact C-N 3.34Å
205	H	36.5	Very low	32.4	Very low	140 Å²	140	117.2 Å²	117.2	65%	0.648	60%	0.596	S	S	*	*	H	α-helix	trans	-87.1	-5.3	177.6	-70.9	-57.9	0	0	0	114.7	T201 K202 T207	T201-H205 WeakPolarHBondContact O-CB 3.48Å; T201-H205 PolarHBondContact O-CD2 3.23Å; T201-H205 PolarHBondContact O-N 2.96Å; K202-H205 CarbonylContact O-C 3.57Å; K202-H205 PolarHBondContact O-N 3.43Å; H205-T207 PolarHBondContact O-N 3.49Å
206	L	30.9	Very low	31.9	Very low	88 Å²	88	118.2 Å²	118.2	46%	0.461	61%	0.605	S	S	.	*			trans	-63.4	109.2	169.3	-84.3	167.5	0	0	0	107.7	K202 L203 D208 F209	K202-L206 WeakPolarHBondContact O-CG 3.11Å; K202-L206 PolarHBondContact O-N 3.05Å; L203-L206 HydrophobicContact CD2-CD1 4.09Å; L206-D208 PolarHBondContact O-N 3.45Å; L206-F209 PolarHBondContact O-N 2.77Å
207	T	37.9	Very low	31.6	Very low	93 Å²	93	122.2 Å²	122.2	57%	0.571	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-52.4	-21	-176.3	34.9	0	0	0	0	113.6	H205 F209 Q210	H205-T207 PolarHBondContact O-N 3.49Å; T207-F209 PolarHBondContact O-N 3.2Å; T207-Q210 WeakPolarHBondContact O-CB 3.47Å; T207-Q210 PolarHBondContact O-N 3.46Å; T207-Q210 VanDerWaalsContact O-N 3.1Å
208	D	37.4	Very low	31.3	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-72.9	-7.6	178	-59.4	-24.8	0	0	0	114	L206	L206-D208 PolarHBondContact O-N 3.45Å
209	F	27.2	Very low	30.8	Very low	143 Å²	143	123 Å²	123	63%	0.627	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-96.5	2.2	169.6	-82.5	-79.4	0	0	0	114.1	L206 T207 H211	L206-F209 PolarHBondContact O-N 2.77Å; T207-F209 PolarHBondContact O-N 3.2Å; F209-H211 PolarHBondContact O-N 3.09Å; F209-H211 VanDerWaalsContact O-N 3.14Å
210	Q	28.1	Very low	30.4	Very low	156 Å²	156	126.7 Å²	126.7	73%	0.729	66%	0.664	S	S	*	*	S	Bend	trans	-75.2	100.9	164.6	-67.6	-173.3	-14.8	0	0	107.9	T207	T207-Q210 WeakPolarHBondContact O-CB 3.47Å; T207-Q210 PolarHBondContact O-N 3.46Å; T207-Q210 VanDerWaalsContact O-N 3.1Å
211	H	27.9	Very low	30.1	Very low	139 Å²	139	129.6 Å²	129.6	64%	0.644	69%	0.686	S	S	*	*			trans	-41	138.9	175.1	-93.2	-64.2	0	0	0	111	F209 L213	F209-H211 PolarHBondContact O-N 3.09Å; F209-H211 VanDerWaalsContact O-N 3.14Å; H211-L213 PolarHBondContact O-N 3.09Å
212	P	28.2	Very low	29.6	Very low	111 Å²	111	131.2 Å²	131.2	72%	0.721	70%	0.7	S	S	*	*			trans	-60.2	107	171	26.4	-29.9	0	0	0	105.9	T214	P212-T214 VanDerWaalsContact C-N 3.29Å; P212-T214 PolarHBondContact O-N 2.69Å
213	L	29.7	Very low	28.9	Very low	170 Å²	170	132.7 Å²	132.7	89%	0.89	71%	0.712	S	S	*	*			trans	-49.8	103.3	170.1	-89	143.6	0	0	0	105.6	H211 S215	H211-L213 PolarHBondContact O-N 3.09Å; L213-S215 PolarHBondContact O-N 3.19Å
214	T	28.1	Very low	28.5	Very low	127 Å²	127	133 Å²	133	78%	0.779	72%	0.721	S	S	*	*			trans	-49.1	114	174.1	38.1	0	0	0	0	106.3	P212 N216	P212-T214 VanDerWaalsContact C-N 3.29Å; P212-T214 PolarHBondContact O-N 2.69Å; T214-N216 VanDerWaalsContact C-N 3.32Å; T214-N216 PolarHBondContact O-N 2.98Å
215	S	27.7	Very low	28.1	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	73%	0.731	S	S	*	*			trans	-45.1	94.8	173	51	0	0	0	0	109.9	L213	L213-S215 PolarHBondContact O-N 3.19Å
216	N	26.7	Very low	27.7	Very low	157 Å²	157	131.5 Å²	131.5	84%	0.84	74%	0.738	S	S	*	*			trans	-140.2	87.1	155.5	-93.8	-18.1	0	0	0	106.6	T214 Q218	T214-N216 VanDerWaalsContact C-N 3.32Å; T214-N216 PolarHBondContact O-N 2.98Å; N216-Q218 PolarHBondContact O-N 2.93Å; N216-Q218 VanDerWaalsContact O-N 3.14Å
217	K	25.4	Very low	27.6	Very low	204 Å²	204	132.9 Å²	132.9	89%	0.887	75%	0.752	S	S	*	*			trans	-48.6	112.2	159.2	-73.4	172.8	172.7	176.4	0	107.9
218	Q	26.3	Very low	27.2	Very low	178 Å²	178	134.2 Å²	134.2	83%	0.832	76%	0.762	S	S	*	*			trans	-162.8	105.3	143	-108.6	160.4	8.3	0	0	109.6	N216	N216-Q218 PolarHBondContact O-N 2.93Å; N216-Q218 VanDerWaalsContact O-N 3.14Å
219	S	25.9	Very low	26.9	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	76%	0.761	S	S	*	*			trans	51.6	97.1	142.5	41.9	0	0	0	0	117.6	S221	S219-S221 PolarHBondContact O-N 3.3Å; S219-S221 VanDerWaalsContact O-N 3.08Å
220	I	24.2	Very low	27.2	Very low	183 Å²	183	131.5 Å²	131.5	94%	0.938	77%	0.77	S	S	*	*			trans	-58.4	102.9	150.1	-60.2	165.5	0	0	0	107.2
221	S	24	Very low	27.4	Very low	91 Å²	91	127.8 Å²	127.8	64%	0.636	77%	0.773	S	S	*	*			trans	-142.7	102.1	163.1	62.3	0	0	0	0	109.6	S219	S219-S221 PolarHBondContact O-N 3.3Å; S219-S221 VanDerWaalsContact O-N 3.08Å
222	S	24.7	Very low	27.5	Very low	94 Å²	94	125.5 Å²	125.5	66%	0.657	77%	0.765	S	S	*	*			trans	54.6	128	130.1	63.5	0	0	0	0	120.2
223	L	25.1	Very low	27.9	Very low	154 Å²	154	125.1 Å²	125.1	81%	0.806	76%	0.757	S	S	*	*			trans	103.2	114.6	141.2	-68.4	142.3	0	0	0	119.2
224	S	23.2	Very low	28	Very low	89 Å²	89	122.8 Å²	122.8	62%	0.622	74%	0.744	S	S	*	*				75.8	107.9	126.7	74.9	0	0	0	0	119.7
225	S	25.5	Very low	28.4	Very low	119 Å²	119	123.6 Å²	123.6	83%	0.832	74%	0.739	S	S	*	*				43.8	93.8	129.4	60.8	0	0	0	0	117.3
226	S	27.7	Very low	28.8	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	72%	0.72	S	S	*	*			trans	-134.5	136.6	145.6	31.7	0	0	0	0	108.7
227	P	28.9	Very low	29	Very low	116 Å²	116	116.7 Å²	116.7	75%	0.753	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-72.3	151.4	-169.7	29.7	-31.3	0	0	0	110.8
228	P	30	Very low	29.3	Very low	122 Å²	122	112.7 Å²	112.7	79%	0.792	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.7	-177	26.3	-32.8	0	0	0	109.8	S230	P228-S230 PolarHBondContact O-N 3.01Å
229	P	31	Very low	30	Very low	119 Å²	119	108.4 Å²	108.4	77%	0.773	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-64	137.6	-176.3	25.7	-31.3	0	0	0	110.1	G231	P229-G231 PolarHBondContact O-N 3.48Å
230	S	32.4	Very low	30.2	Very low	114 Å²	114	110.2 Å²	110.2	80%	0.797	67%	0.673	S	S	*	*			trans	-34.7	128.2	172.9	49.4	0	0	0	0	112.6	P228 D232	P228-S230 PolarHBondContact O-N 3.01Å; S230-D232 PolarHBondContact O-N 3.49Å
231	G	32.4	Very low	30.4	Very low	77 Å²	77	103.4 Å²	103.4	79%	0.794	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-51.1	124.3	-167.4	0	0	0	0	0	114.9	P229 N233	P229-G231 PolarHBondContact O-N 3.48Å; G231-N233 PolarHBondContact O-N 2.73Å
232	D	29.9	Very low	30.8	Very low	91 Å²	91	103.7 Å²	103.7	49%	0.487	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-57.7	121.2	159	-87.9	-17.7	0	0	0	108.2	S230 K240	S230-D232 PolarHBondContact O-N 3.49Å; D232-K240 IonicContact OD2-NZ 3.45Å; D232-K240 PolarHBondContact OD2-NZ 2.92Å
233	N	37	Very low	31	Very low	104 Å²	104	110 Å²	110	56%	0.556	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-55.2	150.6	176	-169.1	5.8	0	0	0	110.6	G231 E235 T236 L237	G231-N233 PolarHBondContact O-N 2.73Å; N233-E235 PolarHBondContact O-N 2.92Å; N233-T236 PolarHBondContact N-OG1 2.93Å; N233-T236 PolarHBondContact O-N 3.34Å; N233-T236 PolarHBondContact O-OG1 3.11Å; N233-L237 PolarHBondContact O-N 2.96Å; N233-L237 VanDerWaalsContact O-N 3.16Å
234	I	32.4	Very low	31.1	Very low	120 Å²	120	110 Å²	110	62%	0.615	64%	0.641	S	S	*	*	H	α-helix	trans	-51.3	-31.7	-178.5	-83.6	170.8	0	0	0	112	L237 I238	I234-L237 PolarHBondContact O-N 3.46Å; I234-I238 HydrophobicContact CG2-CD1 3.63Å; I234-I238 HydrophobicContact CG2-CG1 4.28Å; I234-I238 VanDerWaalsContact O-CG1 3.26Å; I234-I238 WeakPolarHBondContact O-CG1 3.46Å; I234-I238 PolarHBondContact O-N 3.4Å
235	E	35.7	Very low	31.5	Very low	145 Å²	145	109 Å²	109	68%	0.678	63%	0.628	S	S	*	*	H	α-helix	trans	-66.1	-39.4	177	-69.9	171.1	162.1	0	0	113.3	N233 A239	N233-E235 PolarHBondContact O-N 2.92Å; E235-A239 WeakPolarHBondContact O-CB 3.43Å; E235-A239 PolarHBondContact O-N 3.47Å
236	T	36	Very low	31.7	Very low	58 Å²	58	107.1 Å²	107.1	36%	0.356	61%	0.612	S	S	.	*	H	α-helix	trans	-72.6	-31.9	172.9	30.4	0	0	0	0	111.9	N233 A239 K240	N233-T236 PolarHBondContact N-OG1 2.93Å; N233-T236 PolarHBondContact O-N 3.34Å; N233-T236 PolarHBondContact O-OG1 3.11Å; T236-A239 PolarHBondContact O-N 3.34Å; T236-K240 WeakPolarHBondContact O-CB 3.35Å; T236-K240 PolarHBondContact O-N 3.12Å
237	L	30.8	Very low	31.7	Very low	64 Å²	64	106.8 Å²	106.8	34%	0.335	60%	0.6	S	S	.	*	H	α-helix	trans	-67	-38.3	173.5	-87.4	162	0	0	0	112.7	N233 I234 A241	N233-L237 PolarHBondContact O-N 2.96Å; N233-L237 VanDerWaalsContact O-N 3.16Å; I234-L237 PolarHBondContact O-N 3.46Å; L237-A241 PolarHBondContact O-N 2.91Å
238	I	32.5	Very low	31.7	Very low	120 Å²	120	105.1 Å²	105.1	62%	0.615	59%	0.588	S	S	*	*	H	α-helix	trans	-70.3	-41.8	174.2	-68.3	166.9	0	0	0	110.4	I234 K240 A241	I234-I238 HydrophobicContact CG2-CD1 3.63Å; I234-I238 HydrophobicContact CG2-CG1 4.28Å; I234-I238 VanDerWaalsContact O-CG1 3.26Å; I234-I238 WeakPolarHBondContact O-CG1 3.46Å; I234-I238 PolarHBondContact O-N 3.4Å; I238-K240 VanDerWaalsContact C-N 3.31Å; I238-K240 PolarHBondContact O-N 3.01Å; I238-A241 VanDerWaalsContact O-CB 3.25Å; I238-A241 WeakPolarHBondContact O-CB 3.41Å; I238-A241 PolarHBondContact O-N 3.05Å; I238-A241 VanDerWaalsContact O-N 3.16Å
239	A	39.9	Very low	31.5	Very low	87 Å²	87	105.9 Å²	105.9	72%	0.719	58%	0.576	S	S	*	*	H	α-helix	trans	-66.1	-31.9	178.3	0	0	0	0	0	113.1	E235 T236	E235-A239 WeakPolarHBondContact O-CB 3.43Å; E235-A239 PolarHBondContact O-N 3.47Å; T236-A239 PolarHBondContact O-N 3.34Å
240	K	31.8	Very low	31.4	Very low	137 Å²	137	104.3 Å²	104.3	60%	0.596	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	3	174.8	-73.9	179.8	-177.4	167.5	0	113.9	D232 T236 I238 T242	D232-K240 IonicContact OD2-NZ 3.45Å; D232-K240 PolarHBondContact OD2-NZ 2.92Å; T236-K240 WeakPolarHBondContact O-CB 3.35Å; T236-K240 PolarHBondContact O-N 3.12Å; I238-K240 VanDerWaalsContact C-N 3.31Å; I238-K240 PolarHBondContact O-N 3.01Å; K240-T242 VanDerWaalsContact C-N 3.3Å; K240-T242 PolarHBondContact O-N 3.5Å
241	A	27.7	Very low	31.3	Very low	40 Å²	40	102.5 Å²	102.5	33%	0.331	55%	0.552	S	S	.	*			trans	-68.8	85.4	-177	0	0	0	0	0	111.1	L237 I238	L237-A241 PolarHBondContact O-N 2.91Å; I238-A241 VanDerWaalsContact O-CB 3.25Å; I238-A241 WeakPolarHBondContact O-CB 3.41Å; I238-A241 PolarHBondContact O-N 3.05Å; I238-A241 VanDerWaalsContact O-N 3.16Å
242	T	32.4	Very low	31.1	Very low	96 Å²	96	103.1 Å²	103.1	59%	0.589	54%	0.54	S	S	*	.			trans	-64.1	149.5	160.7	48	0	0	0	0	108.9	K240 R244 N245	K240-T242 VanDerWaalsContact C-N 3.3Å; K240-T242 PolarHBondContact O-N 3.5Å; T242-R244 PolarHBondContact O-N 3.36Å; T242-N245 PolarHBondContact O-N 2.92Å
243	R	29	Very low	31	Very low	226 Å²	226	102.3 Å²	102.3	85%	0.853	55%	0.547	S	S	*	.	H	α-helix	trans	-41.4	-27.5	-175.8	-151.1	175.4	-175.3	175.6	1.1	115.1	I247	R243-I247 WeakPolarHBondContact O-CG1 3.36Å
244	R	27.9	Very low	30.8	Very low	155 Å²	155	105.1 Å²	105.1	59%	0.585	56%	0.556	S	S	*	*	H	α-helix	trans	-70	-40.9	176.7	-156.5	176.4	-169.7	154.3	4.7	113.1	T242 I247 V248	T242-R244 PolarHBondContact O-N 3.36Å; R244-I247 PolarHBondContact O-N 2.96Å; R244-V248 PolarHBondContact O-N 3.34Å
245	N	29.6	Very low	30.9	Very low	67 Å²	67	103.1 Å²	103.1	36%	0.358	55%	0.547	S	S	.	.	H	α-helix	trans	-73.7	-33.4	-178.7	-72.1	-4.6	0	0	0	111.9	T242 I247 V248 Y249	T242-N245 PolarHBondContact O-N 2.92Å; N245-I247 VanDerWaalsContact C-N 3.28Å; N245-I247 PolarHBondContact O-N 3.42Å; N245-V248 PolarHBondContact O-N 2.9Å; N245-Y249 HydrophobicContact CB-CD2 4.44Å; N245-Y249 WeakPolarHBondContact O-CD2 3.33Å; N245-Y249 PolarHBondContact O-N 3.38Å
246	T	30.2	Very low	30.5	Very low	80 Å²	80	102.1 Å²	102.1	49%	0.491	54%	0.542	S	S	.	.	H	α-helix	trans	-64.4	-33.1	177	-35.3	0	0	0	0	112.4	S250	T246-S250 WeakPolarHBondContact O-CB 3.37Å; T246-S250 PolarHBondContact O-N 2.86Å; T246-S250 PolarHBondContact O-OG 3.44Å
247	I	28.4	Very low	30.3	Very low	104 Å²	104	104.1 Å²	104.1	53%	0.533	55%	0.551	S	S	.	*	H	α-helix	trans	-72.7	-38.3	175.6	-64	170.3	0	0	0	110.9	R243 R244 N245 S250 T251	R243-I247 WeakPolarHBondContact O-CG1 3.36Å; R244-I247 PolarHBondContact O-N 2.96Å; N245-I247 VanDerWaalsContact C-N 3.28Å; N245-I247 PolarHBondContact O-N 3.42Å; I247-S250 WeakPolarHBondContact CA-OG 3.31Å; I247-S250 PolarHBondContact O-OG 3.41Å; I247-S250 VanDerWaalsContact O-OG 3.11Å; I247-T251 WeakPolarHBondContact O-CG2 3.26Å; I247-T251 PolarHBondContact O-N 3.3Å; I247-T251 PolarHBondContact O-OG1 3.35Å
248	V	27.9	Very low	30.2	Very low	81 Å²	81	104.3 Å²	104.3	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-43	174.4	176.6	0	0	0	0	110.9	R244 N245 S250 T251 T252	R244-V248 PolarHBondContact O-N 3.34Å; N245-V248 PolarHBondContact O-N 2.9Å; V248-S250 PolarHBondContact O-N 3.38Å; V248-T251 PolarHBondContact O-N 3.33Å; V248-T251 PolarHBondContact O-OG1 3Å; V248-T252 PolarHBondContact O-N 2.78Å; V248-T252 PolarHBondContact O-OG1 3.41Å
249	Y	27.5	Very low	30	Very low	139 Å²	139	104 Å²	104	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-68.9	-32.4	179.3	-83.6	-66.1	0	0	0	114.1	N245 T251	N245-Y249 HydrophobicContact CB-CD2 4.44Å; N245-Y249 WeakPolarHBondContact O-CD2 3.33Å; N245-Y249 PolarHBondContact O-N 3.38Å; Y249-T251 VanDerWaalsContact C-N 3.27Å; Y249-T251 PolarHBondContact O-N 3.42Å
250	S	28.8	Very low	29.5	Very low	86 Å²	86	104.8 Å²	104.8	60%	0.601	54%	0.537	S	S	*	.	H	α-helix	trans	-73.5	-19.4	175	45.4	0	0	0	0	113	T246 I247 V248	T246-S250 WeakPolarHBondContact O-CB 3.37Å; T246-S250 PolarHBondContact O-N 2.86Å; T246-S250 PolarHBondContact O-OG 3.44Å; I247-S250 WeakPolarHBondContact CA-OG 3.31Å; I247-S250 PolarHBondContact O-OG 3.41Å; I247-S250 VanDerWaalsContact O-OG 3.11Å; V248-S250 PolarHBondContact O-N 3.38Å
251	T	29	Very low	29.4	Very low	76 Å²	76	101.5 Å²	101.5	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-96.4	-10.4	-179.8	49.9	0	0	0	0	114.2	I247 V248 Y249	I247-T251 WeakPolarHBondContact O-CG2 3.26Å; I247-T251 PolarHBondContact O-N 3.3Å; I247-T251 PolarHBondContact O-OG1 3.35Å; V248-T251 PolarHBondContact O-N 3.33Å; V248-T251 PolarHBondContact O-OG1 3Å; Y249-T251 VanDerWaalsContact C-N 3.27Å; Y249-T251 PolarHBondContact O-N 3.42Å
252	T	28.3	Very low	29.3	Very low	89 Å²	89	102 Å²	102	55%	0.546	52%	0.521	S	S	.	.			trans	-101	4	175.5	54.1	0	0	0	0	114.4	V248 E254	V248-T252 PolarHBondContact O-N 2.78Å; V248-T252 PolarHBondContact O-OG1 3.41Å; T252-E254 PolarHBondContact O-N 3.41Å
253	A	27.8	Very low	29.2	Very low	75 Å²	75	102.9 Å²	102.9	62%	0.62	52%	0.522	S	S	*	.	S	Bend	trans	-56.3	116.6	170.1	0	0	0	0	0	109.4	N255	A253-N255 PolarHBondContact O-N 2.91Å; A253-N255 VanDerWaalsContact O-N 3.08Å
254	E	33.7	Very low	29.2	Very low	162 Å²	162	93.9 Å²	93.9	76%	0.757	49%	0.49	S	S	*	.			trans	-59.8	109.9	-160.9	-68.5	176.2	161.2	0	0	111.9	T252 E256	T252-E254 PolarHBondContact O-N 3.41Å; E254-E256 PolarHBondContact O-N 3.17Å
255	N	33.6	Very low	29.2	Very low	78 Å²	78	88.9 Å²	88.9	42%	0.417	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-0.8	175.6	-118.9	-62.5	0	0	0	114.3	A253 Q259	A253-N255 PolarHBondContact O-N 2.91Å; A253-N255 VanDerWaalsContact O-N 3.08Å; N255-Q259 WeakPolarHBondContact O-CB 3.25Å; N255-Q259 PolarHBondContact O-N 3.44Å
256	E	28.5	Very low	29	Very low	124 Å²	124	93 Å²	93	58%	0.579	49%	0.488	S	S	*	.	H	α-helix	trans	-69	-39.1	-175.7	-76.4	-167.2	163	0	0	112.5	E254 L258 Q259 Q260	E254-E256 PolarHBondContact O-N 3.17Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 2.95Å; E256-Q259 PolarHBondContact O-N 2.91Å; E256-Q260 VanDerWaalsContact O-CB 3.29Å; E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 WeakPolarHBondContact O-CG 3.43Å; E256-Q260 PolarHBondContact O-N 3.24Å
257	D	31.2	Very low	28.9	Very low	100 Å²	100	91.5 Å²	91.5	54%	0.535	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-35.4	-179.3	-73.7	-22.1	0	0	0	112	L261	D257-L261 PolarHBondContact O-N 3.46Å
258	L	28.3	Very low	28.9	Very low	69 Å²	69	93.6 Å²	93.6	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-83.1	-35.6	179.5	-100	144.5	0	0	0	113.3	W189 E256 Q260 L261 M262	W189-L258 HydrophobicContact CE3-CD2 4.34Å; W189-L258 HydrophobicContact CH2-CD1 3.57Å; W189-L258 HydrophobicContact CH2-CD2 3.66Å; W189-L258 HydrophobicContact CH2-CG 4.15Å; W189-L258 HydrophobicContact CZ2-CD1 4.27Å; W189-L258 HydrophobicContact CZ2-CD2 4.47Å; W189-L258 HydrophobicContact CZ3-CD1 4.29Å; W189-L258 HydrophobicContact CZ3-CD2 3.58Å; W189-L258 HydrophobicContact CZ3-CG 4.4Å; E256-L258 VanDerWaalsContact C-N 3.28Å; E256-L258 PolarHBondContact O-N 2.95Å; L258-Q260 VanDerWaalsContact C-N 3.29Å; L258-L261 HydrophobicContact CG-CD1 4.41Å; L258-L261 WeakPolarHBondContact O-CB 3.21Å; L258-L261 PolarHBondContact O-N 3.46Å; L258-M262 PolarHBondContact O-N 3.4Å
259	Q	28.3	Very low	28.8	Very low	114 Å²	114	98.4 Å²	98.4	53%	0.533	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-35.7	168.2	-82.8	-172.6	-10.3	0	0	111.8	N255 E256 M262 N263	N255-Q259 WeakPolarHBondContact O-CB 3.25Å; N255-Q259 PolarHBondContact O-N 3.44Å; E256-Q259 PolarHBondContact O-N 2.91Å; Q259-M262 PolarHBondContact O-N 2.82Å; Q259-N263 PolarHBondContact O-N 3.11Å
260	Q	29.8	Very low	28.9	Very low	103 Å²	103	98.4 Å²	98.4	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-63	-44.7	171.5	-75.3	179.1	28	0	0	110.7	E256 L258 M262 N263 M264	E256-Q260 VanDerWaalsContact O-CB 3.29Å; E256-Q260 WeakPolarHBondContact O-CB 3.48Å; E256-Q260 WeakPolarHBondContact O-CG 3.43Å; E256-Q260 PolarHBondContact O-N 3.24Å; L258-Q260 VanDerWaalsContact C-N 3.29Å; Q260-M262 VanDerWaalsContact C-N 3.32Å; Q260-M262 PolarHBondContact O-N 2.95Å; Q260-N263 PolarHBondContact O-N 3.47Å; Q260-M264 WeakPolarHBondContact O-CG 3.28Å; Q260-M264 PolarHBondContact O-N 2.74Å
261	L	29.4	Very low	28.7	Very low	67 Å²	67	99.1 Å²	99.1	35%	0.351	51%	0.507	S	S	.	.	H	α-helix	trans	-55.3	-41.7	171.6	-87.4	150.8	0	0	0	113.4	D257 L258 N263 M264 F265	D257-L261 PolarHBondContact O-N 3.46Å; L258-L261 HydrophobicContact CG-CD1 4.41Å; L258-L261 WeakPolarHBondContact O-CB 3.21Å; L258-L261 PolarHBondContact O-N 3.46Å; L261-N263 PolarHBondContact O-N 2.85Å; L261-M264 VanDerWaalsContact CA-CE 3.45Å; L261-M264 HydrophobicContact CB-CE 3.98Å; L261-M264 HydrophobicContact CD2-CE 3.3Å; L261-M264 HydrophobicContact CG-CE 3.41Å; L261-M264 VanDerWaalsContact CG-CE 3.41Å; L261-M264 VanDerWaalsContact O-CB 3.3Å; L261-M264 WeakPolarHBondContact O-CB 3.25Å; L261-M264 PolarHBondContact O-N 2.71Å; L261-F265 HydrophobicContact CD2-CE2 4.04Å; L261-F265 HydrophobicContact CD2-CZ 4.48Å; L261-F265 WeakPolarHBondContact O-CD2 3.29Å
262	M	26.6	Very low	28.6	Very low	52 Å²	52	101.3 Å²	101.3	26%	0.256	52%	0.516	S	S	.	.	H	α-helix	trans	-65	-35.6	179.1	-75.7	-141.6	69.4	0	0	113.8	I186 Y190 L258 Q259 Q260 M264	I186-M262 HydrophobicContact CG2-CE 3.98Å; I186-M262 HydrophobicContact CG2-CG 4.34Å; I186-M262 HydrophobicContact CG2-SD 4.46Å; Y190-M262 HydrophobicContact CD2-SD 3.33Å; Y190-M262 WeakPolarHBondContact CD2-SD 3.42Å; Y190-M262 HydrophobicContact CE2-SD 3.86Å; Y190-M262 HydrophobicContact CG-SD 3.74Å; L258-M262 PolarHBondContact O-N 3.4Å; Q259-M262 PolarHBondContact O-N 2.82Å; Q260-M262 VanDerWaalsContact C-N 3.32Å; Q260-M262 PolarHBondContact O-N 2.95Å; M262-M264 PolarHBondContact O-N 3.31Å
263	N	28.4	Very low	28.4	Very low	114 Å²	114	102.6 Å²	102.6	61%	0.61	52%	0.524	S	S	*	.	H	α-helix	trans	-70.5	-19.8	173.1	-77.8	-29.8	0	0	0	112.5	Q259 Q260 L261 F265	Q259-N263 PolarHBondContact O-N 3.11Å; Q260-N263 PolarHBondContact O-N 3.47Å; L261-N263 PolarHBondContact O-N 2.85Å; N263-F265 VanDerWaalsContact C-N 3.35Å; N263-F265 PolarHBondContact O-N 3.3Å
264	M	29.9	Very low	28.3	Very low	36 Å²	36	106.2 Å²	106.2	18%	0.177	53%	0.531	C	S	.	.	H	α-helix	trans	-73.6	-19.6	-179.4	-67	-163.2	-78.3	0	0	114.3	Q260 L261 M262 I412 K416 N419	Q260-M264 WeakPolarHBondContact O-CG 3.28Å; Q260-M264 PolarHBondContact O-N 2.74Å; L261-M264 VanDerWaalsContact CA-CE 3.45Å; L261-M264 HydrophobicContact CB-CE 3.98Å; L261-M264 HydrophobicContact CD2-CE 3.3Å; L261-M264 HydrophobicContact CG-CE 3.41Å; L261-M264 VanDerWaalsContact CG-CE 3.41Å; L261-M264 VanDerWaalsContact O-CB 3.3Å; L261-M264 WeakPolarHBondContact O-CB 3.25Å; L261-M264 PolarHBondContact O-N 2.71Å; M262-M264 PolarHBondContact O-N 3.31Å; M264-I412 HydrophobicContact CE-CG2 4.2Å; M264-K416 HydrophobicContact CG-CG 4.48Å; M264-K416 HydrophobicContact SD-CB 3.77Å; M264-K416 HydrophobicContact SD-CG 4Å; M264-N419 PolarHBondContact O-ND2 2.93Å
265	F	27.8	Very low	28.1	Very low	50 Å²	50	103.9 Å²	103.9	22%	0.219	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	14.2	-175.4	-61.4	-73.5	0	0	0	114.4	F179 L182 I186 L261 N263 P267	F179-F265 WeakPolarHBondContact CZ-O 3.45Å; L182-F265 HydrophobicContact CD2-CD1 3.98Å; L182-F265 HydrophobicContact CD2-CE1 3.67Å; L182-F265 HydrophobicContact CD2-CZ 4.17Å; I186-F265 HydrophobicContact CD1-CD2 3.84Å; I186-F265 HydrophobicContact CD1-CE2 3.9Å; I186-F265 HydrophobicContact CD1-CG 4.39Å; I186-F265 HydrophobicContact CD1-CZ 4.5Å; L261-F265 HydrophobicContact CD2-CE2 4.04Å; L261-F265 HydrophobicContact CD2-CZ 4.48Å; L261-F265 WeakPolarHBondContact O-CD2 3.29Å; N263-F265 VanDerWaalsContact C-N 3.35Å; N263-F265 PolarHBondContact O-N 3.3Å; F265-P267 VanDerWaalsContact O-CD 3.3Å; F265-P267 WeakPolarHBondContact O-CD 3.24Å
266	K	26.2	Very low	27.8	Very low	155 Å²	155	104 Å²	104	67%	0.674	53%	0.53	S	S	*	.			trans	-69.9	119.5	169.5	-76	-176.2	179.9	173.2	0	108.8	F268	K266-F268 PolarHBondContact O-N 3.47Å
267	P	27.3	Very low	28	Very low	47 Å²	47	104.5 Å²	104.5	31%	0.305	54%	0.541	S	S	.	.			trans	-60.5	141.4	173.7	22.6	-28.2	0	0	0	109.2	F179 F265 F269	F179-P267 HydrophobicContact CE1-CB 4.37Å; F179-P267 HydrophobicContact CE1-CG 4.2Å; F179-P267 HydrophobicContact CZ-CB 4.18Å; F179-P267 HydrophobicContact CZ-CG 4.29Å; F265-P267 VanDerWaalsContact O-CD 3.3Å; F265-P267 WeakPolarHBondContact O-CD 3.24Å; P267-F269 VanDerWaalsContact C-N 3.35Å; P267-F269 HydrophobicContact CG-CD2 4.16Å; P267-F269 HydrophobicContact CG-CE2 3.65Å; P267-F269 HydrophobicContact CG-CZ 4.28Å; P267-F269 WeakPolarHBondContact O-CD2 3.36Å; P267-F269 PolarHBondContact O-N 3.49Å
268	F	28.1	Very low	28	Very low	148 Å²	148	107 Å²	107	65%	0.649	55%	0.554	S	S	*	*			trans	-64.5	95.1	177.9	-141.7	-91.7	0	0	0	108.2	K266 K270	K266-F268 PolarHBondContact O-N 3.47Å; F268-K270 PolarHBondContact O-N 3.33Å
269	F	26.3	Very low	28.3	Very low	182 Å²	182	106.5 Å²	106.5	80%	0.798	56%	0.555	S	S	*	*			trans	-77.8	111.2	176.3	-85.8	-79.6	0	0	0	109.1	P267	P267-F269 VanDerWaalsContact C-N 3.35Å; P267-F269 HydrophobicContact CG-CD2 4.16Å; P267-F269 HydrophobicContact CG-CE2 3.65Å; P267-F269 HydrophobicContact CG-CZ 4.28Å; P267-F269 WeakPolarHBondContact O-CD2 3.36Å; P267-F269 PolarHBondContact O-N 3.49Å
270	K	29.4	Very low	28.6	Very low	140 Å²	140	107.3 Å²	107.3	61%	0.609	56%	0.563	S	S	*	*			trans	-38.8	130.5	162.9	-100	174.4	154	-156.8	0	111.8	F268 D272	F268-K270 PolarHBondContact O-N 3.33Å; K270-D272 IonicContact NZ-OD1 2.72Å
271	S	25.6	Very low	29.1	Very low	101 Å²	101	108.6 Å²	108.6	71%	0.706	57%	0.573	S	S	*	*			trans	-81.1	119.4	137.3	45.6	0	0	0	0	106.5	T273	S271-T273 PolarHBondContact O-N 2.92Å; S271-T273 PolarHBondContact O-OG1 3.47Å
272	D	25	Very low	29.6	Very low	122 Å²	122	110.7 Å²	110.7	65%	0.652	59%	0.589	S	S	*	*			trans	-66.5	78.7	175.2	-74.1	-48.4	0	0	0	109.9	K270 I274	K270-D272 IonicContact NZ-OD1 2.72Å; D272-I274 PolarHBondContact O-N 2.98Å
273	T	25.3	Very low	30.5	Very low	116 Å²	116	113.2 Å²	113.2	71%	0.712	60%	0.6	S	S	*	*			trans	-88.2	88.3	159.4	11.2	0	0	0	0	106.4	S271 I275	S271-T273 PolarHBondContact O-N 2.92Å; S271-T273 PolarHBondContact O-OG1 3.47Å; T273-I275 VanDerWaalsContact C-N 3.35Å; T273-I275 PolarHBondContact O-N 3.22Å
274	I	26.5	Very low	31.6	Very low	151 Å²	151	111.4 Å²	111.4	77%	0.774	59%	0.589	S	S	*	*			trans	-56.9	105.4	161.1	-62.3	169.5	0	0	0	105	D272 S276	D272-I274 PolarHBondContact O-N 2.98Å; I274-S276 VanDerWaalsContact C-N 3.3Å; I274-S276 PolarHBondContact O-N 2.78Å
275	I	29.2	Very low	32.6	Very low	113 Å²	113	114.5 Å²	114.5	58%	0.579	61%	0.607	S	S	*	*			trans	-61.8	101.5	169.5	-61.6	169.9	0	0	0	104.8	T273 T277 P344	T273-I275 VanDerWaalsContact C-N 3.35Å; T273-I275 PolarHBondContact O-N 3.22Å; I275-T277 PolarHBondContact O-N 2.79Å; I275-P344 HydrophobicContact CD1-CG 4.37Å
276	S	27.1	Very low	33.9	Very low	80 Å²	80	118.1 Å²	118.1	56%	0.559	62%	0.624	S	S	*	*			trans	-54.6	121.5	171.6	54.1	0	0	0	0	107.4	I274 D278	I274-S276 VanDerWaalsContact C-N 3.3Å; I274-S276 PolarHBondContact O-N 2.78Å; S276-D278 PolarHBondContact O-N 3.03Å
277	T	32	Very low	35.4	Very low	135 Å²	135	115.4 Å²	115.4	83%	0.828	61%	0.614	S	S	*	*	S	Bend	trans	-71.4	44	-178.5	41.1	0	0	0	0	113.2	I275	I275-T277 PolarHBondContact O-N 2.79Å
278	D	31.9	Very low	36.9	Very low	151 Å²	151	117.3 Å²	117.3	81%	0.807	62%	0.62	S	S	*	*			trans	-126.4	63.7	170.2	-72	-33.3	0	0	0	108.4	S276	S276-D278 PolarHBondContact O-N 3.03Å
279	T	35.1	Very low	38.5	Very low	60 Å²	60	115.5 Å²	115.5	37%	0.368	62%	0.616	S	S	.	*			trans	-120.7	113.6	171.7	42.9	0	0	0	0	110.3
280	N	33.1	Very low	40.3	Very low	131 Å²	131	108.5 Å²	108.5	70%	0.701	59%	0.589	S	S	*	*			trans	-50.3	145.4	-178.5	-75.3	-30.9	0	0	0	112.7	T282 Q283	N280-T282 PolarHBondContact O-N 2.89Å; N280-Q283 PolarHBondContact O-N 2.91Å
281	N	41.4	Very low	41.9	Very low	130 Å²	130	102.2 Å²	102.2	70%	0.695	56%	0.562	S	S	*	*	H	α-helix	trans	-47.1	-29.6	-175	-70.4	-16.2	0	0	0	115.4	Q283 I284 D285	N281-Q283 PolarHBondContact O-N 3.35Å; N281-I284 PolarHBondContact O-N 2.82Å; N281-D285 PolarHBondContact O-N 3.15Å
282	T	39.7	Very low	43.9	Very low	111 Å²	111	100.9 Å²	100.9	68%	0.681	55%	0.547	S	S	*	.	H	α-helix	trans	-68.4	-28.5	178.5	47.2	0	0	0	0	114.3	N280	N280-T282 PolarHBondContact O-N 2.89Å
283	Q	44.8	Very low	46.1	Very low	104 Å²	104	99.7 Å²	99.7	49%	0.486	54%	0.54	S	S	.	.	H	α-helix	trans	-74.3	-34.6	174.6	-87.2	179.3	-20.1	0	0	112	N280 N281 H286 H287	N280-Q283 PolarHBondContact O-N 2.91Å; N281-Q283 PolarHBondContact O-N 3.35Å; Q283-H286 PolarHBondContact O-N 2.77Å; Q283-H287 PolarHBondContact O-CD2 3.39Å; Q283-H287 PolarHBondContact O-N 3.42Å; Q283-H287 VanDerWaalsContact O-N 3.09Å
284	I	52	Low	48.1	Very low	76 Å²	76	96.2 Å²	96.2	39%	0.39	52%	0.515	S	S	.	.	H	α-helix	trans	-63.5	-44.8	-179.4	-63.8	172.7	0	0	0	110.4	N281 H286 H287 I288	N281-I284 PolarHBondContact O-N 2.82Å; I284-H286 VanDerWaalsContact C-N 3.34Å; I284-H286 PolarHBondContact O-N 3.23Å; I284-H287 PolarHBondContact O-N 3.05Å; I284-I288 HydrophobicContact CG2-CD1 3.83Å; I284-I288 HydrophobicContact CG2-CG1 4.45Å; I284-I288 WeakPolarHBondContact O-CG1 3.47Å; I284-I288 PolarHBondContact O-N 3.05Å
285	D	50.9	Low	50.1	Low	102 Å²	102	90 Å²	90	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-40.3	179.4	-71.2	-22.4	0	0	0	112.2	N281 I288 L289	N281-D285 PolarHBondContact O-N 3.15Å; D285-I288 PolarHBondContact O-N 2.85Å; D285-L289 WeakPolarHBondContact O-CG 3.28Å; D285-L289 PolarHBondContact O-N 3.44Å
286	H	55.2	Low	52.2	Low	126 Å²	126	89.1 Å²	89.1	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-66.2	-38	176.5	-170.7	61.1	0	0	0	112.5	Q283 I284 T290	Q283-H286 PolarHBondContact O-N 2.77Å; I284-H286 VanDerWaalsContact C-N 3.34Å; I284-H286 PolarHBondContact O-N 3.23Å; H286-T290 WeakPolarHBondContact O-CB 3.27Å; H286-T290 PolarHBondContact O-N 3.29Å; H286-T290 PolarHBondContact O-OG1 3.46Å
287	H	57.1	Low	54.4	Low	98 Å²	98	89.6 Å²	89.6	45%	0.454	47%	0.471	S	S	.	.	H	α-helix	trans	-66	-40.9	175	-84.9	-69.6	0	0	0	112.4	Q283 I284 L291 Y343	Q283-H287 PolarHBondContact O-CD2 3.39Å; Q283-H287 PolarHBondContact O-N 3.42Å; Q283-H287 VanDerWaalsContact O-N 3.09Å; I284-H287 PolarHBondContact O-N 3.05Å; H287-L291 VanDerWaalsContact O-CB 3.26Å; H287-L291 WeakPolarHBondContact O-CB 3.39Å; H287-L291 PolarHBondContact O-N 2.98Å; H287-Y343 HydrophobicContact CB-CE1 4.27Å; H287-Y343 AromaticContact ND1-CE1 3.77Å; H287-Y343 WeakPolarHBondContact O-CE1 3.22Å
288	I	59.9	Low	56.3	Low	86 Å²	86	83.4 Å²	83.4	44%	0.441	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-44.9	178.4	-67.9	169.6	0	0	0	110.8	I284 D285 L291 N292	I284-I288 HydrophobicContact CG2-CD1 3.83Å; I284-I288 HydrophobicContact CG2-CG1 4.45Å; I284-I288 WeakPolarHBondContact O-CG1 3.47Å; I284-I288 PolarHBondContact O-N 3.05Å; D285-I288 PolarHBondContact O-N 2.85Å; I288-L291 PolarHBondContact O-N 3.33Å; I288-N292 WeakPolarHBondContact O-CB 3.3Å; I288-N292 PolarHBondContact O-N 2.87Å; I288-N292 PolarHBondContact O-ND2 3.4Å
289	L	61.5	Low	58.4	Low	110 Å²	110	78.9 Å²	78.9	58%	0.576	41%	0.409	S	S	*	.	H	α-helix	trans	-60.7	-49.1	177.2	-73.4	171.1	0	0	0	111.4	D285 L291 N292 D293	D285-L289 WeakPolarHBondContact O-CG 3.28Å; D285-L289 PolarHBondContact O-N 3.44Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.19Å; L289-N292 PolarHBondContact O-N 3.02Å; L289-D293 PolarHBondContact O-N 3.06Å
290	T	63.7	Low	60.3	Low	36 Å²	36	82.2 Å²	82.2	22%	0.221	42%	0.42	C	S	.	.	H	α-helix	trans	-61.8	-40.2	179.2	-52.7	0	0	0	0	111.6	H286 D293 Y294 Y343	H286-T290 WeakPolarHBondContact O-CB 3.27Å; H286-T290 PolarHBondContact O-N 3.29Å; H286-T290 PolarHBondContact O-OG1 3.46Å; T290-D293 WeakPolarHBondContact O-CB 3.48Å; T290-D293 PolarHBondContact O-N 2.89Å; T290-Y294 HydrophobicContact CG2-CD2 4.14Å; T290-Y294 HydrophobicContact CG2-CE2 3.83Å; T290-Y294 WeakPolarHBondContact O-CD2 3.14Å; T290-Y294 PolarHBondContact O-N 3.41Å; T290-Y294 VanDerWaalsContact O-N 3.16Å; T290-Y343 WeakPolarHBondContact CB-OH 3.5Å; T290-Y343 WeakPolarHBondContact CG2-OH 3.29Å
291	L	63.4	Low	62.6	Low	8 Å²	8	76.2 Å²	76.2	4%	0.042	39%	0.387	C	S	.	.	H	α-helix	trans	-65	-41.2	176.3	-175.8	50.7	0	0	0	112.5	H287 I288 L289 D293 Y294 L295 Y343 C348	H287-L291 VanDerWaalsContact O-CB 3.26Å; H287-L291 WeakPolarHBondContact O-CB 3.39Å; H287-L291 PolarHBondContact O-N 2.98Å; I288-L291 PolarHBondContact O-N 3.33Å; L289-L291 VanDerWaalsContact C-N 3.32Å; L289-L291 PolarHBondContact O-N 3.19Å; L291-D293 VanDerWaalsContact C-N 3.29Å; L291-D293 PolarHBondContact O-N 3.32Å; L291-Y294 PolarHBondContact O-N 2.77Å; L291-L295 HydrophobicContact CG-CD1 4.47Å; L291-L295 WeakPolarHBondContact O-CG 3.39Å; L291-L295 PolarHBondContact O-N 3.35Å; L291-Y343 HydrophobicContact CB-CD1 4.06Å; L291-Y343 HydrophobicContact CB-CE1 3.77Å; L291-Y343 HydrophobicContact CD1-CD1 4.04Å; L291-Y343 HydrophobicContact CD1-CD2 3.88Å; L291-Y343 HydrophobicContact CD1-CE1 4.45Å; L291-Y343 HydrophobicContact CD1-CE2 4.31Å; L291-Y343 HydrophobicContact CD1-CG 3.73Å; L291-Y343 HydrophobicContact CD2-CD1 3.75Å; L291-Y343 HydrophobicContact CD2-CE1 4.26Å; L291-Y343 HydrophobicContact CD2-CG 4.16Å; L291-Y343 HydrophobicContact CG-CD1 4.19Å; L291-Y343 HydrophobicContact CG-CE1 4.4Å; L291-Y343 HydrophobicContact CG-CG 4.38Å; L291-C348 HydrophobicContact CD2-CB 4.26Å; L291-C348 WeakPolarHBondContact CD2-SG 3.38Å
292	N	67.8	Low	64.3	Low	73 Å²	73	70.5 Å²	70.5	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-38.8	174.1	-77.9	-25.1	0	0	0	111.8	I288 L289 Y294 L295 N296	I288-N292 WeakPolarHBondContact O-CB 3.3Å; I288-N292 PolarHBondContact O-N 2.87Å; I288-N292 PolarHBondContact O-ND2 3.4Å; L289-N292 PolarHBondContact O-N 3.02Å; N292-Y294 VanDerWaalsContact C-N 3.34Å; N292-Y294 PolarHBondContact O-N 3.43Å; N292-L295 PolarHBondContact O-N 3.1Å; N292-N296 WeakPolarHBondContact O-CB 3.29Å; N292-N296 PolarHBondContact O-N 3.22Å; N292-N296 PolarHBondContact O-ND2 3.2Å
293	D	69.6	Low	66.2	Low	96 Å²	96	69.6 Å²	69.6	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-41.9	173.9	-75.9	-12.3	0	0	0	112.1	L289 T290 L291 N296 K297	L289-D293 PolarHBondContact O-N 3.06Å; T290-D293 WeakPolarHBondContact O-CB 3.48Å; T290-D293 PolarHBondContact O-N 2.89Å; L291-D293 VanDerWaalsContact C-N 3.29Å; L291-D293 PolarHBondContact O-N 3.32Å; D293-N296 PolarHBondContact O-N 2.82Å; D293-K297 WeakPolarHBondContact O-CG 3.31Å; D293-K297 PolarHBondContact O-N 3.38Å
294	Y	69.1	Low	67.7	Low	44 Å²	44	67.9 Å²	67.9	17%	0.173	34%	0.339	C	S	.	.	H	α-helix	trans	-68.8	-37.4	174.5	-77.9	-76.7	0	0	0	112.8	T290 L291 N292 N296 K297 F298 V338 V339 Y343	T290-Y294 HydrophobicContact CG2-CD2 4.14Å; T290-Y294 HydrophobicContact CG2-CE2 3.83Å; T290-Y294 WeakPolarHBondContact O-CD2 3.14Å; T290-Y294 PolarHBondContact O-N 3.41Å; T290-Y294 VanDerWaalsContact O-N 3.16Å; L291-Y294 PolarHBondContact O-N 2.77Å; N292-Y294 VanDerWaalsContact C-N 3.34Å; N292-Y294 PolarHBondContact O-N 3.43Å; Y294-N296 VanDerWaalsContact C-N 3.28Å; Y294-N296 PolarHBondContact O-N 3.03Å; Y294-K297 HydrophobicContact CD1-CD 4.14Å; Y294-K297 HydrophobicContact CE1-CD 4.34Å; Y294-K297 WeakPolarHBondContact O-CB 3.21Å; Y294-K297 PolarHBondContact O-N 3.02Å; Y294-F298 WeakPolarHBondContact O-CD2 3.33Å; Y294-F298 PolarHBondContact O-N 2.93Å; Y294-V338 HydrophobicContact CE1-CB 3.99Å; Y294-V338 HydrophobicContact CE1-CG1 3.86Å; Y294-V338 HydrophobicContact CE2-CG1 3.83Å; Y294-V338 VanDerWaalsContact CZ-CG1 3.4Å; Y294-V338 WeakPolarHBondContact OH-CG1 3.46Å; Y294-V339 HydrophobicContact CD1-CG2 3.86Å; Y294-V339 HydrophobicContact CG-CG2 3.76Å; Y294-Y343 HydrophobicContact CD2-CE2 4.49Å
295	L	67.8	Low	68.9	Low	19 Å²	19	64.3 Å²	64.3	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-37.6	173.6	-73.4	175.2	0	0	0	111.9	L291 N292 F298 D299 L351 K354	L291-L295 HydrophobicContact CG-CD1 4.47Å; L291-L295 WeakPolarHBondContact O-CG 3.39Å; L291-L295 PolarHBondContact O-N 3.35Å; N292-L295 PolarHBondContact O-N 3.1Å; L295-F298 PolarHBondContact O-N 3.28Å; L295-D299 PolarHBondContact O-N 3.18Å; L295-D299 VanDerWaalsContact O-N 3.08Å; L295-L351 HydrophobicContact CD2-CB 4.43Å; L295-L351 HydrophobicContact CD2-CD1 3.78Å; L295-K354 HydrophobicContact CD2-CD 3.96Å; L295-K354 PolarHBondContact O-NZ 2.88Å
296	N	72.7	Confident	70.2	Confident	95 Å²	95	63.9 Å²	63.9	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-69.3	-38.9	173.9	-69.7	-24.6	0	0	0	111.5	N292 D293 Y294 F298 D299 H300	N292-N296 WeakPolarHBondContact O-CB 3.29Å; N292-N296 PolarHBondContact O-N 3.22Å; N292-N296 PolarHBondContact O-ND2 3.2Å; D293-N296 PolarHBondContact O-N 2.82Å; Y294-N296 VanDerWaalsContact C-N 3.28Å; Y294-N296 PolarHBondContact O-N 3.03Å; N296-F298 VanDerWaalsContact C-N 3.33Å; N296-F298 PolarHBondContact O-N 2.91Å; N296-D299 PolarHBondContact O-N 3.35Å; N296-H300 PolarHBondContact O-N 2.94Å
297	K	74	Confident	71.2	Confident	91 Å²	91	64.2 Å²	64.2	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-39.1	172.1	-72.2	172.2	-174.6	174.9	0	111.9	D293 Y294 H300 W301	D293-K297 WeakPolarHBondContact O-CG 3.31Å; D293-K297 PolarHBondContact O-N 3.38Å; Y294-K297 HydrophobicContact CD1-CD 4.14Å; Y294-K297 HydrophobicContact CE1-CD 4.34Å; Y294-K297 WeakPolarHBondContact O-CB 3.21Å; Y294-K297 PolarHBondContact O-N 3.02Å; K297-H300 PolarHBondContact O-N 3.44Å; K297-W301 WeakPolarHBondContact O-CB 3.38Å; K297-W301 PolarHBondContact O-N 2.91Å
298	F	72.5	Confident	71.7	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-63.5	-43.1	172.5	-78	-61.1	0	0	0	112.3	Y294 L295 N296 H300 W301 I302 L332 H335 L336 V339 L351	Y294-F298 WeakPolarHBondContact O-CD2 3.33Å; Y294-F298 PolarHBondContact O-N 2.93Å; L295-F298 PolarHBondContact O-N 3.28Å; N296-F298 VanDerWaalsContact C-N 3.33Å; N296-F298 PolarHBondContact O-N 2.91Å; F298-H300 VanDerWaalsContact C-N 3.33Å; F298-H300 PolarHBondContact O-N 3.27Å; F298-W301 PolarHBondContact O-N 2.86Å; F298-I302 WeakPolarHBondContact O-CB 3.31Å; F298-I302 VanDerWaalsContact O-CG1 3.24Å; F298-I302 WeakPolarHBondContact O-CG1 3.33Å; F298-I302 PolarHBondContact O-N 3.06Å; F298-L332 HydrophobicContact CD1-CD1 4.14Å; F298-L332 HydrophobicContact CE1-CD1 3.83Å; F298-H335 HydrophobicContact CE1-CB 4.26Å; F298-H335 HydrophobicContact CZ-CB 4.36Å; F298-L336 HydrophobicContact CE1-CD2 3.63Å; F298-L336 HydrophobicContact CE1-CG 4.17Å; F298-L336 HydrophobicContact CZ-CD2 3.69Å; F298-L336 HydrophobicContact CZ-CG 4.38Å; F298-V339 HydrophobicContact CE2-CB 4.18Å; F298-V339 HydrophobicContact CE2-CG1 4.13Å; F298-V339 HydrophobicContact CE2-CG2 3.63Å; F298-V339 HydrophobicContact CZ-CB 4.32Å; F298-V339 HydrophobicContact CZ-CG2 4Å; F298-L351 HydrophobicContact CE2-CD1 4.35Å
299	D	74.3	Confident	72.3	Confident	56 Å²	56	56.4 Å²	56.4	30%	0.299	28%	0.279	S	S	.	.	H	α-helix	trans	-64	-41.6	178	-70.4	-23.3	0	0	0	111.5	L295 N296 W301 I302 N303 K354	L295-D299 PolarHBondContact O-N 3.18Å; L295-D299 VanDerWaalsContact O-N 3.08Å; N296-D299 PolarHBondContact O-N 3.35Å; D299-W301 VanDerWaalsContact C-N 3.33Å; D299-W301 PolarHBondContact O-N 2.81Å; D299-I302 PolarHBondContact O-N 3.34Å; D299-N303 WeakPolarHBondContact O-CB 3.41Å; D299-N303 VanDerWaalsContact O-CG 3.26Å; D299-N303 PolarHBondContact O-N 3.06Å; D299-N303 PolarHBondContact O-ND2 3.17Å; D299-K354 WeakPolarHBondContact OD1-CE 3.39Å; D299-K354 IonicContact OD1-NZ 3.6Å; D299-K354 PolarHBondContact OD1-NZ 3.29Å; D299-K354 IonicContact OD2-NZ 2.69Å; D299-K354 PolarHBondContact OD2-NZ 3.44Å
300	H	76.2	Confident	73	Confident	131 Å²	131	56.1 Å²	56.1	61%	0.606	28%	0.275	S	S	*	.	H	α-helix	trans	-60.3	-44.3	174.1	-171.5	69.1	0	0	0	111.4	N296 K297 F298 N303 K304	N296-H300 PolarHBondContact O-N 2.94Å; K297-H300 PolarHBondContact O-N 3.44Å; F298-H300 VanDerWaalsContact C-N 3.33Å; F298-H300 PolarHBondContact O-N 3.27Å; H300-N303 PolarHBondContact O-N 3.35Å; H300-K304 VanDerWaalsContact O-CB 3.31Å; H300-K304 WeakPolarHBondContact O-CB 3.48Å; H300-K304 PolarHBondContact O-N 2.92Å
301	W	80.3	Confident	73.1	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.019	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-46.7	176.3	-172.9	93	0	0	0	112.2	K297 F298 D299 N303 K304 T305 Q328 L332 V358 L362	K297-W301 WeakPolarHBondContact O-CB 3.38Å; K297-W301 PolarHBondContact O-N 2.91Å; F298-W301 PolarHBondContact O-N 2.86Å; D299-W301 VanDerWaalsContact C-N 3.33Å; D299-W301 PolarHBondContact O-N 2.81Å; W301-N303 VanDerWaalsContact C-N 3.32Å; W301-N303 PolarHBondContact O-N 2.92Å; W301-K304 PolarHBondContact O-N 3.46Å; W301-T305 HydrophobicContact CH2-CG2 3.97Å; W301-T305 WeakPolarHBondContact CH2-OG1 3.44Å; W301-T305 WeakPolarHBondContact CZ2-OG1 3.42Å; W301-T305 HydrophobicContact CZ3-CG2 4.19Å; W301-T305 WeakPolarHBondContact O-CB 3.33Å; W301-T305 PolarHBondContact O-N 3.17Å; W301-T305 PolarHBondContact O-OG1 3.03Å; W301-T305 VanDerWaalsContact O-OG1 3.12Å; W301-Q328 HydrophobicContact CZ2-CB 4.48Å; W301-Q328 PolarHBondContact NE1-O 3.5Å; W301-L332 HydrophobicContact CD2-CD1 4.08Å; W301-L332 HydrophobicContact CE3-CD1 4.3Å; W301-L332 HydrophobicContact CG-CD1 4.5Å; W301-L332 HydrophobicContact CH2-CD2 3.67Å; W301-L332 HydrophobicContact CZ2-CB 4.03Å; W301-L332 HydrophobicContact CZ2-CD2 3.55Å; W301-L332 HydrophobicContact CZ2-CG 4.23Å; W301-L332 HydrophobicContact CZ3-CD2 4.2Å; W301-V358 HydrophobicContact CE3-CG1 4.47Å; W301-V358 HydrophobicContact CE3-CG2 4.14Å; W301-V358 HydrophobicContact CH2-CG1 4.16Å; W301-V358 HydrophobicContact CZ3-CB 4.28Å; W301-V358 HydrophobicContact CZ3-CG1 3.78Å; W301-V358 HydrophobicContact CZ3-CG2 4.03Å; W301-L362 HydrophobicContact CH2-CD2 3.9Å; W301-L362 HydrophobicContact CH2-CG 4.34Å; W301-L362 HydrophobicContact CZ2-CD2 4.33Å
302	I	78.7	Confident	73.2	Confident	9 Å²	9	57 Å²	57	5%	0.046	28%	0.281	C	S	.	.	H	α-helix	trans	-57.4	-46.6	177.8	-73.5	167.4	0	0	0	110.2	F298 D299 T305 K306 T357 V358 L361	F298-I302 WeakPolarHBondContact O-CB 3.31Å; F298-I302 VanDerWaalsContact O-CG1 3.24Å; F298-I302 WeakPolarHBondContact O-CG1 3.33Å; F298-I302 PolarHBondContact O-N 3.06Å; D299-I302 PolarHBondContact O-N 3.34Å; I302-T305 PolarHBondContact O-N 3.41Å; I302-K306 HydrophobicContact CG2-CD 4.29Å; I302-K306 WeakPolarHBondContact O-CB 3.27Å; I302-K306 WeakPolarHBondContact O-CG 3.38Å; I302-K306 PolarHBondContact O-N 3.32Å; I302-T357 HydrophobicContact CD1-CG2 4.46Å; I302-T357 HydrophobicContact CG2-CG2 4.22Å; I302-V358 HydrophobicContact CD1-CG2 4.01Å; I302-V358 HydrophobicContact CG1-CG2 3.82Å; I302-L361 HydrophobicContact CB-CD1 4.42Å; I302-L361 HydrophobicContact CG2-CD1 3.95Å
303	N	79.3	Confident	73.1	Confident	93 Å²	93	58 Å²	58	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-67.2	-43.6	-179.6	-70.8	-25.6	0	0	0	111.8	D299 H300 W301 T305 K306 M307	D299-N303 WeakPolarHBondContact O-CB 3.41Å; D299-N303 VanDerWaalsContact O-CG 3.26Å; D299-N303 PolarHBondContact O-N 3.06Å; D299-N303 PolarHBondContact O-ND2 3.17Å; H300-N303 PolarHBondContact O-N 3.35Å; W301-N303 VanDerWaalsContact C-N 3.32Å; W301-N303 PolarHBondContact O-N 2.92Å; N303-T305 PolarHBondContact O-N 3.49Å; N303-K306 PolarHBondContact O-N 3.37Å; N303-M307 WeakPolarHBondContact O-CG 3.32Å; N303-M307 PolarHBondContact O-N 3.5Å
304	K	76.8	Confident	73	Confident	68 Å²	68	59.8 Å²	59.8	30%	0.296	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-44.1	175.6	-170	174.4	178.5	-167.3	0	111.3	H300 W301 M307 I308	H300-K304 VanDerWaalsContact O-CB 3.31Å; H300-K304 WeakPolarHBondContact O-CB 3.48Å; H300-K304 PolarHBondContact O-N 2.92Å; W301-K304 PolarHBondContact O-N 3.46Å; K304-M307 PolarHBondContact O-N 3.01Å; K304-I308 HydrophobicContact CG-CD1 4.25Å; K304-I308 VanDerWaalsContact O-CG1 3.29Å; K304-I308 WeakPolarHBondContact O-CG1 3.38Å; K304-I308 PolarHBondContact O-N 3.5Å
305	T	76.3	Confident	72.6	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.4	-39.8	177.2	-68	0	0	0	0	112.5	W301 I302 N303 M307 I308 N309 L361	W301-T305 HydrophobicContact CH2-CG2 3.97Å; W301-T305 WeakPolarHBondContact CH2-OG1 3.44Å; W301-T305 WeakPolarHBondContact CZ2-OG1 3.42Å; W301-T305 HydrophobicContact CZ3-CG2 4.19Å; W301-T305 WeakPolarHBondContact O-CB 3.33Å; W301-T305 PolarHBondContact O-N 3.17Å; W301-T305 PolarHBondContact O-OG1 3.03Å; W301-T305 VanDerWaalsContact O-OG1 3.12Å; I302-T305 PolarHBondContact O-N 3.41Å; N303-T305 PolarHBondContact O-N 3.49Å; T305-M307 PolarHBondContact O-N 3.43Å; T305-I308 PolarHBondContact O-N 3.41Å; T305-N309 WeakPolarHBondContact O-CB 3.19Å; T305-N309 PolarHBondContact O-N 3.41Å; T305-L361 HydrophobicContact CG2-CB 3.9Å; T305-L361 HydrophobicContact CG2-CD1 4.09Å; T305-L361 HydrophobicContact CG2-CG 4.41Å
306	K	79	Confident	71.6	Confident	94 Å²	94	74.8 Å²	74.8	41%	0.409	35%	0.345	S	S	.	.	H	α-helix	trans	-59.4	-46	172.3	-78.3	176.8	179.5	179.6	0	111.6	I302 N303 I308 N309 E310 L361	I302-K306 HydrophobicContact CG2-CD 4.29Å; I302-K306 WeakPolarHBondContact O-CB 3.27Å; I302-K306 WeakPolarHBondContact O-CG 3.38Å; I302-K306 PolarHBondContact O-N 3.32Å; N303-K306 PolarHBondContact O-N 3.37Å; K306-I308 VanDerWaalsContact C-N 3.3Å; K306-I308 PolarHBondContact O-N 2.97Å; K306-N309 PolarHBondContact O-N 3.37Å; K306-E310 WeakPolarHBondContact O-CB 3.3Å; K306-E310 WeakPolarHBondContact O-CG 3.37Å; K306-E310 PolarHBondContact O-N 2.89Å; K306-L361 HydrophobicContact CG-CD1 4.04Å; K306-L361 HydrophobicContact CG-CD2 3.73Å
307	M	74.4	Confident	70.4	Confident	133 Å²	133	76.9 Å²	76.9	66%	0.655	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-37.8	176	-70.4	-174.8	72.3	0	0	112.5	N303 K304 T305 S311	N303-M307 WeakPolarHBondContact O-CG 3.32Å; N303-M307 PolarHBondContact O-N 3.5Å; K304-M307 PolarHBondContact O-N 3.01Å; T305-M307 PolarHBondContact O-N 3.43Å; M307-S311 WeakPolarHBondContact O-CB 3.45Å; M307-S311 PolarHBondContact O-N 3.4Å; M307-S311 PolarHBondContact O-OG 3.46Å
308	I	69	Low	69.2	Low	11 Å²	11	81.9 Å²	81.9	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-64.8	-50.5	174.7	-68	165.1	0	0	0	110.2	K304 T305 K306 E310 S311 I312 L324 Q328	K304-I308 HydrophobicContact CG-CD1 4.25Å; K304-I308 VanDerWaalsContact O-CG1 3.29Å; K304-I308 WeakPolarHBondContact O-CG1 3.38Å; K304-I308 PolarHBondContact O-N 3.5Å; T305-I308 PolarHBondContact O-N 3.41Å; K306-I308 VanDerWaalsContact C-N 3.3Å; K306-I308 PolarHBondContact O-N 2.97Å; I308-E310 VanDerWaalsContact C-N 3.32Å; I308-E310 PolarHBondContact O-N 2.92Å; I308-S311 WeakPolarHBondContact O-CA 3.33Å; I308-S311 WeakPolarHBondContact O-CB 3.49Å; I308-S311 PolarHBondContact O-N 2.93Å; I308-I312 HydrophobicContact CG2-CD1 3.74Å; I308-I312 HydrophobicContact CG2-CG1 4.32Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.31Å; I308-I312 PolarHBondContact O-N 2.89Å; I308-L324 HydrophobicContact CD1-CD1 4.49Å; I308-L324 HydrophobicContact CD1-CD2 3.85Å; I308-L324 HydrophobicContact CD1-CG 3.88Å; I308-L324 HydrophobicContact CG1-CD2 3.75Å; I308-L324 HydrophobicContact CG1-CG 4.35Å; I308-L324 HydrophobicContact CG2-CD2 4.22Å; I308-Q328 HydrophobicContact CD1-CG 3.7Å
309	N	73	Confident	68.2	Low	8 Å²	8	88.6 Å²	88.6	4%	0.043	41%	0.412	C	S	.	.	H	α-helix	trans	-61.5	-38.9	179.5	-71.2	-2.4	0	0	0	111.9	T305 K306 I312 N313 Q365	T305-N309 WeakPolarHBondContact O-CB 3.19Å; T305-N309 PolarHBondContact O-N 3.41Å; K306-N309 PolarHBondContact O-N 3.37Å; N309-I312 PolarHBondContact O-N 3.27Å; N309-N313 WeakPolarHBondContact O-CB 3.41Å; N309-N313 PolarHBondContact O-N 3.33Å; N309-N313 PolarHBondContact O-ND2 2.69Å; N309-Q365 VanDerWaalsContact OD1-CG 3.28Å; N309-Q365 WeakPolarHBondContact OD1-CG 3.39Å; N309-Q365 PolarHBondContact OD1-NE2 3.1Å
310	E	75	Confident	67.8	Low	105 Å²	105	89.2 Å²	89.2	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-40.3	171.4	-78.4	-173.3	-159.9	0	0	112.6	K306 I308 N313 K314	K306-E310 WeakPolarHBondContact O-CB 3.3Å; K306-E310 WeakPolarHBondContact O-CG 3.37Å; K306-E310 PolarHBondContact O-N 2.89Å; I308-E310 VanDerWaalsContact C-N 3.32Å; I308-E310 PolarHBondContact O-N 2.92Å; E310-N313 PolarHBondContact O-N 2.79Å; E310-K314 WeakPolarHBondContact O-CB 3.05Å; E310-K314 VanDerWaalsContact O-CG 3.31Å; E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 3.49Å; E310-K314 IonicContact OE2-NZ 3.69Å
311	S	66.8	Low	67.3	Low	38 Å²	38	85.2 Å²	85.2	27%	0.266	40%	0.396	S	S	.	.	H	α-helix	trans	-67.1	-38.8	178.1	-61.5	0	0	0	0	111.8	M307 I308 K314 R315 R316 Y321	M307-S311 WeakPolarHBondContact O-CB 3.45Å; M307-S311 PolarHBondContact O-N 3.4Å; M307-S311 PolarHBondContact O-OG 3.46Å; I308-S311 WeakPolarHBondContact O-CA 3.33Å; I308-S311 WeakPolarHBondContact O-CB 3.49Å; I308-S311 PolarHBondContact O-N 2.93Å; S311-K314 PolarHBondContact O-N 2.95Å; S311-R315 PolarHBondContact O-N 3.33Å; S311-R316 PolarHBondContact O-N 3.32Å; S311-Y321 PolarHBondContact O-OH 3.39Å
312	I	64.2	Low	66.5	Low	24 Å²	24	86.2 Å²	86.2	12%	0.123	40%	0.401	C	S	.	.	H	α-helix	trans	-61.2	-49.4	172	-67.3	166.6	0	0	0	109.8	I308 N309 K314 R315 Y321 I325 Y368	I308-I312 HydrophobicContact CG2-CD1 3.74Å; I308-I312 HydrophobicContact CG2-CG1 4.32Å; I308-I312 VanDerWaalsContact O-CG1 3.29Å; I308-I312 WeakPolarHBondContact O-CG1 3.31Å; I308-I312 PolarHBondContact O-N 2.89Å; N309-I312 PolarHBondContact O-N 3.27Å; I312-K314 VanDerWaalsContact C-N 3.3Å; I312-K314 PolarHBondContact O-N 3.09Å; I312-R315 WeakPolarHBondContact O-CA 3.34Å; I312-R315 PolarHBondContact O-N 2.94Å; I312-Y321 HydrophobicContact CD1-CD1 4.08Å; I312-Y321 HydrophobicContact CD1-CG 4.48Å; I312-Y321 HydrophobicContact CG1-CD1 3.34Å; I312-Y321 HydrophobicContact CG1-CE1 3.67Å; I312-Y321 HydrophobicContact CG1-CG 3.82Å; I312-I325 HydrophobicContact CD1-CD1 4.04Å; I312-Y368 HydrophobicContact CD1-CD2 4.45Å; I312-Y368 HydrophobicContact CG2-CD1 3.53Å; I312-Y368 HydrophobicContact CG2-CD2 3.86Å; I312-Y368 HydrophobicContact CG2-CE1 3.84Å; I312-Y368 HydrophobicContact CG2-CE2 4.14Å; I312-Y368 HydrophobicContact CG2-CG 3.58Å
313	N	66.7	Low	66	Low	95 Å²	95	91.4 Å²	91.4	51%	0.508	43%	0.425	S	S	.	.	H	α-helix	trans	-60.1	-38.5	177.3	-84.3	-37.1	0	0	0	113.1	N309 E310 R315 Y368	N309-N313 WeakPolarHBondContact O-CB 3.41Å; N309-N313 PolarHBondContact O-N 3.33Å; N309-N313 PolarHBondContact O-ND2 2.69Å; E310-N313 PolarHBondContact O-N 2.79Å; N313-R315 PolarHBondContact O-N 2.87Å; N313-Y368 PolarHBondContact ND2-OH 2.75Å; N313-Y368 WeakPolarHBondContact OD1-CE1 3.5Å; N313-Y368 VanDerWaalsContact OD1-CZ 3.3Å; N313-Y368 PolarHBondContact OD1-OH 3.31Å
314	K	67.2	Low	65.6	Low	132 Å²	132	89.2 Å²	89.2	57%	0.574	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	2.2	175.8	-71.2	173.1	-176	164.9	0	113.3	E310 S311 I312 R316	E310-K314 WeakPolarHBondContact O-CB 3.05Å; E310-K314 VanDerWaalsContact O-CG 3.31Å; E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 3.49Å; E310-K314 IonicContact OE2-NZ 3.69Å; S311-K314 PolarHBondContact O-N 2.95Å; I312-K314 VanDerWaalsContact C-N 3.3Å; I312-K314 PolarHBondContact O-N 3.09Å; K314-R316 HydrophobicContact CB-CG 4.41Å; K314-R316 PolarHBondContact O-N 3.09Å; K314-R316 VanDerWaalsContact O-N 3.13Å
315	R	59.5	Low	65.3	Low	217 Å²	217	86.2 Å²	86.2	82%	0.819	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	38.6	178.7	-60.8	-175.3	-177.7	-178.1	0.6	113.6	S311 I312 N313 T317	S311-R315 PolarHBondContact O-N 3.33Å; I312-R315 WeakPolarHBondContact O-CA 3.34Å; I312-R315 PolarHBondContact O-N 2.94Å; N313-R315 PolarHBondContact O-N 2.87Å; R315-T317 PolarHBondContact O-N 2.86Å; R315-T317 VanDerWaalsContact O-N 3.07Å
316	R	48.7	Very low	65	Low	161 Å²	161	89.1 Å²	89.1	61%	0.608	42%	0.415	S	S	*	.			trans	-68.7	109.6	178	-73.2	-176.2	174.2	-176.3	-2.2	109	S311 K314 K318 Y321	S311-R316 PolarHBondContact O-N 3.32Å; K314-R316 HydrophobicContact CB-CG 4.41Å; K314-R316 PolarHBondContact O-N 3.09Å; K314-R316 VanDerWaalsContact O-N 3.13Å; R316-K318 VanDerWaalsContact C-N 3.27Å; R316-K318 PolarHBondContact O-N 3.47Å; R316-Y321 WeakPolarHBondContact O-CE2 3.48Å; R316-Y321 PolarHBondContact O-OH 3.29Å
317	T	46.4	Very low	64.8	Low	140 Å²	140	88.1 Å²	88.1	86%	0.859	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	9.4	-160.2	33.8	0	0	0	0	117.3	R315	R315-T317 PolarHBondContact O-N 2.86Å; R315-T317 VanDerWaalsContact O-N 3.07Å
318	K	48.7	Very low	64.9	Low	195 Å²	195	81.9 Å²	81.9	85%	0.848	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	4.2	-169.4	-77.3	-171.7	176.8	-177.4	0	117.2	R316	R316-K318 VanDerWaalsContact C-N 3.27Å; R316-K318 PolarHBondContact O-N 3.47Å
319	F	52.7	Low	65.1	Low	145 Å²	145	81.3 Å²	81.3	64%	0.636	38%	0.379	S	S	*	.			trans	-116.9	137.4	-177	-74.6	-79.8	0	0	0	113	Y321	F319-Y321 HydrophobicContact CB-CD1 4.31Å; F319-Y321 HydrophobicContact CB-CE1 4.01Å; F319-Y321 HydrophobicContact CB-CE2 4.23Å; F319-Y321 WeakPolarHBondContact O-CD2 3.18Å; F319-Y321 WeakPolarHBondContact O-CE2 3.32Å; F319-Y321 PolarHBondContact O-N 3.42Å
320	N	64.3	Low	65.1	Low	70 Å²	70	84.9 Å²	84.9	37%	0.374	40%	0.397	S	S	.	.			trans	-73.4	79.8	167.2	-175	-11.9	0	0	0	109.1	I322 H323 L324 Q402	N320-I322 PolarHBondContact O-N 3.47Å; N320-H323 HydrophobicContact CB-CB 4.35Å; N320-H323 PolarHBondContact O-N 2.8Å; N320-H323 PolarHBondContact OD1-N 3.19Å; N320-L324 PolarHBondContact O-N 2.89Å; N320-L324 VanDerWaalsContact O-N 3.14Å; N320-Q402 PolarHBondContact ND2-NE2 2.82Å; N320-Q402 PolarHBondContact OD1-NE2 3.21Å
321	Y	66.4	Low	65.1	Low	46 Å²	46	82.8 Å²	82.8	18%	0.18	39%	0.387	C	S	.	.	H	α-helix	trans	-59	-33	-175.6	-66.9	-73	0	0	0	113	S311 I312 R316 F319 L324 I325	S311-Y321 PolarHBondContact O-OH 3.39Å; I312-Y321 HydrophobicContact CD1-CD1 4.08Å; I312-Y321 HydrophobicContact CD1-CG 4.48Å; I312-Y321 HydrophobicContact CG1-CD1 3.34Å; I312-Y321 HydrophobicContact CG1-CE1 3.67Å; I312-Y321 HydrophobicContact CG1-CG 3.82Å; R316-Y321 WeakPolarHBondContact O-CE2 3.48Å; R316-Y321 PolarHBondContact O-OH 3.29Å; F319-Y321 HydrophobicContact CB-CD1 4.31Å; F319-Y321 HydrophobicContact CB-CE1 4.01Å; F319-Y321 HydrophobicContact CB-CE2 4.23Å; F319-Y321 WeakPolarHBondContact O-CD2 3.18Å; F319-Y321 WeakPolarHBondContact O-CE2 3.32Å; F319-Y321 PolarHBondContact O-N 3.42Å; Y321-L324 PolarHBondContact O-N 2.81Å; Y321-I325 WeakPolarHBondContact O-CB 3.19Å; Y321-I325 WeakPolarHBondContact O-CD1 3.35Å; Y321-I325 WeakPolarHBondContact O-CG1 3.36Å; Y321-I325 PolarHBondContact O-N 3.01Å
322	I	63.8	Low	65.5	Low	26 Å²	26	81 Å²	81	13%	0.133	38%	0.375	C	S	.	.	H	α-helix	trans	-63.2	-48.7	178.5	-64.3	177	0	0	0	110.6	N320 L324 I325 N326 R407 L410	N320-I322 PolarHBondContact O-N 3.47Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.34Å; I322-I325 PolarHBondContact O-N 2.8Å; I322-N326 WeakPolarHBondContact O-CB 3.31Å; I322-N326 PolarHBondContact O-N 3.36Å; I322-R407 HydrophobicContact CD1-CG 3.48Å; I322-R407 VanDerWaalsContact CD1-CG 3.48Å; I322-L410 HydrophobicContact CB-CD2 4.22Å; I322-L410 HydrophobicContact CG1-CD2 4.42Å; I322-L410 HydrophobicContact CG2-CD2 3.74Å
323	H	67.2	Low	65.8	Low	119 Å²	119	81 Å²	81	55%	0.551	38%	0.375	S	S	*	.	H	α-helix	trans	-61.6	-43	177	-174.3	-65.3	0	0	0	111	N320 N326 E327	N320-H323 HydrophobicContact CB-CB 4.35Å; N320-H323 PolarHBondContact O-N 2.8Å; N320-H323 PolarHBondContact OD1-N 3.19Å; H323-N326 PolarHBondContact O-N 2.97Å; H323-E327 WeakPolarHBondContact O-CB 3.38Å; H323-E327 PolarHBondContact O-N 3.32Å
324	L	71.1	Confident	66.2	Low	47 Å²	47	80.9 Å²	80.9	25%	0.246	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-42.7	179.5	-172	65.1	0	0	0	112	I308 N320 Y321 I322 Q328	I308-L324 HydrophobicContact CD1-CD1 4.49Å; I308-L324 HydrophobicContact CD1-CD2 3.85Å; I308-L324 HydrophobicContact CD1-CG 3.88Å; I308-L324 HydrophobicContact CG1-CD2 3.75Å; I308-L324 HydrophobicContact CG1-CG 4.35Å; I308-L324 HydrophobicContact CG2-CD2 4.22Å; N320-L324 PolarHBondContact O-N 2.89Å; N320-L324 VanDerWaalsContact O-N 3.14Å; Y321-L324 PolarHBondContact O-N 2.81Å; I322-L324 VanDerWaalsContact C-N 3.31Å; I322-L324 PolarHBondContact O-N 3.34Å; L324-Q328 WeakPolarHBondContact O-CG 3.49Å; L324-Q328 PolarHBondContact O-N 3.18Å; L324-Q328 VanDerWaalsContact O-N 3.1Å
325	I	70.6	Confident	66.5	Low	4 Å²	4	76.6 Å²	76.6	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-63.2	-47.8	175.1	-66.2	163.2	0	0	0	109.4	I312 Y321 I322 E327 Q328 L329 T369 L410	I312-I325 HydrophobicContact CD1-CD1 4.04Å; Y321-I325 WeakPolarHBondContact O-CB 3.19Å; Y321-I325 WeakPolarHBondContact O-CD1 3.35Å; Y321-I325 WeakPolarHBondContact O-CG1 3.36Å; Y321-I325 PolarHBondContact O-N 3.01Å; I322-I325 PolarHBondContact O-N 2.8Å; I325-E327 VanDerWaalsContact C-N 3.32Å; I325-E327 PolarHBondContact O-N 3.14Å; I325-Q328 WeakPolarHBondContact O-CB 3.36Å; I325-Q328 PolarHBondContact O-N 3.1Å; I325-Q328 VanDerWaalsContact O-N 3.08Å; I325-L329 HydrophobicContact CG2-CD1 4.01Å; I325-L329 HydrophobicContact CG2-CG 4.25Å; I325-L329 WeakPolarHBondContact O-CG 3.35Å; I325-L329 PolarHBondContact O-N 3.07Å; I325-T369 HydrophobicContact CD1-CG2 4.05Å; I325-L410 HydrophobicContact CB-CD1 4.42Å; I325-L410 HydrophobicContact CB-CD2 4.02Å; I325-L410 HydrophobicContact CD1-CD2 4.41Å; I325-L410 HydrophobicContact CG2-CD1 3.95Å; I325-L410 HydrophobicContact CG2-CD2 3.96Å; I325-L410 HydrophobicContact CG2-CG 4.26Å
326	N	69.8	Low	67	Low	61 Å²	61	66.3 Å²	66.3	33%	0.326	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-42.5	-179.2	-164.3	38.8	0	0	0	112.3	I322 H323 Q328 L329 I330 L410 H413	I322-N326 WeakPolarHBondContact O-CB 3.31Å; I322-N326 PolarHBondContact O-N 3.36Å; H323-N326 PolarHBondContact O-N 2.97Å; N326-Q328 VanDerWaalsContact C-N 3.33Å; N326-Q328 PolarHBondContact O-N 2.64Å; N326-L329 PolarHBondContact O-N 2.93Å; N326-L329 VanDerWaalsContact O-N 3.17Å; N326-I330 WeakPolarHBondContact O-CG1 3.3Å; N326-I330 PolarHBondContact O-N 2.82Å; N326-L410 HydrophobicContact CB-CD1 3.74Å; N326-H413 PolarHBondContact OD1-ND1 2.92Å
327	E	74.4	Confident	68	Low	74 Å²	74	66 Å²	66	35%	0.346	32%	0.316	S	S	.	.	H	α-helix	trans	-61.7	-41.1	175.6	-165.1	-160.3	135.7	0	0	111.7	H323 I325 L329 I330 Q331	H323-E327 WeakPolarHBondContact O-CB 3.38Å; H323-E327 PolarHBondContact O-N 3.32Å; I325-E327 VanDerWaalsContact C-N 3.32Å; I325-E327 PolarHBondContact O-N 3.14Å; E327-L329 VanDerWaalsContact C-N 3.32Å; E327-L329 PolarHBondContact O-N 3.07Å; E327-I330 PolarHBondContact O-N 3.04Å; E327-Q331 WeakPolarHBondContact O-CG 3.5Å; E327-Q331 PolarHBondContact O-N 3.11Å; E327-Q331 VanDerWaalsContact O-N 3.08Å; E327-Q331 PolarHBondContact OE1-NE2 2.93Å
328	Q	77.9	Confident	68.9	Low	1 Å²	1	61.4 Å²	61.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-35.6	174.6	-71.3	-53.9	-74.3	0	0	112.4	W301 I308 L324 I325 N326 Q331 L332	W301-Q328 HydrophobicContact CZ2-CB 4.48Å; W301-Q328 PolarHBondContact NE1-O 3.5Å; I308-Q328 HydrophobicContact CD1-CG 3.7Å; L324-Q328 WeakPolarHBondContact O-CG 3.49Å; L324-Q328 PolarHBondContact O-N 3.18Å; L324-Q328 VanDerWaalsContact O-N 3.1Å; I325-Q328 WeakPolarHBondContact O-CB 3.36Å; I325-Q328 PolarHBondContact O-N 3.1Å; I325-Q328 VanDerWaalsContact O-N 3.08Å; N326-Q328 VanDerWaalsContact C-N 3.33Å; N326-Q328 PolarHBondContact O-N 2.64Å; Q328-Q331 PolarHBondContact O-N 3.33Å; Q328-L332 WeakPolarHBondContact O-CB 3.46Å; Q328-L332 PolarHBondContact O-N 3.03Å
329	L	72.6	Confident	69.7	Low	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.6	-41.8	176.8	-65.9	173.5	0	0	0	112.1	I325 N326 E327 Q331 L332 D333 L362 L410 H413 L414 I417	I325-L329 HydrophobicContact CG2-CD1 4.01Å; I325-L329 HydrophobicContact CG2-CG 4.25Å; I325-L329 WeakPolarHBondContact O-CG 3.35Å; I325-L329 PolarHBondContact O-N 3.07Å; N326-L329 PolarHBondContact O-N 2.93Å; N326-L329 VanDerWaalsContact O-N 3.17Å; E327-L329 VanDerWaalsContact C-N 3.32Å; E327-L329 PolarHBondContact O-N 3.07Å; L329-Q331 VanDerWaalsContact C-N 3.32Å; L329-Q331 PolarHBondContact O-N 3.15Å; L329-L332 PolarHBondContact O-N 3.49Å; L329-D333 WeakPolarHBondContact O-CB 3.46Å; L329-D333 PolarHBondContact O-N 2.95Å; L329-L362 HydrophobicContact CD2-CD2 3.37Å; L329-L410 HydrophobicContact CD1-CD1 3.56Å; L329-H413 HydrophobicContact CD1-CB 4.2Å; L329-L414 HydrophobicContact CD1-CD2 3.68Å; L329-L414 HydrophobicContact CD1-CG 3.67Å; L329-L414 HydrophobicContact CD2-CD2 3.48Å; L329-L414 VanDerWaalsContact CD2-CD2 3.48Å; L329-L414 HydrophobicContact CD2-CG 4.34Å; L329-L414 HydrophobicContact CG-CD2 4.15Å; L329-I417 HydrophobicContact CB-CD1 3.65Å; L329-I417 HydrophobicContact CD2-CD1 3.67Å; L329-I417 HydrophobicContact CG-CD1 4.17Å; L329-I417 WeakPolarHBondContact O-CD1 3.26Å
330	I	73.6	Confident	70.2	Confident	82 Å²	82	46.5 Å²	46.5	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-60.8	-44	174.7	-63.3	169	0	0	0	110.5	N326 E327 L332 D333 N334	N326-I330 WeakPolarHBondContact O-CG1 3.3Å; N326-I330 PolarHBondContact O-N 2.82Å; E327-I330 PolarHBondContact O-N 3.04Å; I330-L332 VanDerWaalsContact C-N 3.32Å; I330-L332 PolarHBondContact O-N 3.38Å; I330-D333 PolarHBondContact O-N 3.05Å; I330-N334 PolarHBondContact O-N 3.31Å; I330-N334 VanDerWaalsContact O-N 3.16Å; I330-N334 PolarHBondContact O-ND2 2.95Å
331	Q	74.6	Confident	70.1	Confident	62 Å²	62	48.5 Å²	48.5	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-61.2	-42.1	175.6	-73.6	170.3	11.2	0	0	111.6	E327 Q328 L329 H335	E327-Q331 WeakPolarHBondContact O-CG 3.5Å; E327-Q331 PolarHBondContact O-N 3.11Å; E327-Q331 VanDerWaalsContact O-N 3.08Å; E327-Q331 PolarHBondContact OE1-NE2 2.93Å; Q328-Q331 PolarHBondContact O-N 3.33Å; L329-Q331 VanDerWaalsContact C-N 3.32Å; L329-Q331 PolarHBondContact O-N 3.15Å; Q331-H335 VanDerWaalsContact O-CG 3.24Å; Q331-H335 PolarHBondContact O-N 3.04Å; Q331-H335 VanDerWaalsContact O-N 3.13Å; Q331-H335 PolarHBondContact O-ND1 3.48Å; Q331-H335 VanDerWaalsContact O-ND1 3.09Å
332	L	76.1	Confident	69.8	Low	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-46.4	178.3	-176.9	61.9	0	0	0	112	F298 W301 Q328 L329 I330 N334 H335 L336 V358 L362 I417	F298-L332 HydrophobicContact CD1-CD1 4.14Å; F298-L332 HydrophobicContact CE1-CD1 3.83Å; W301-L332 HydrophobicContact CD2-CD1 4.08Å; W301-L332 HydrophobicContact CE3-CD1 4.3Å; W301-L332 HydrophobicContact CG-CD1 4.5Å; W301-L332 HydrophobicContact CH2-CD2 3.67Å; W301-L332 HydrophobicContact CZ2-CB 4.03Å; W301-L332 HydrophobicContact CZ2-CD2 3.55Å; W301-L332 HydrophobicContact CZ2-CG 4.23Å; W301-L332 HydrophobicContact CZ3-CD2 4.2Å; Q328-L332 WeakPolarHBondContact O-CB 3.46Å; Q328-L332 PolarHBondContact O-N 3.03Å; L329-L332 PolarHBondContact O-N 3.49Å; I330-L332 VanDerWaalsContact C-N 3.32Å; I330-L332 PolarHBondContact O-N 3.38Å; L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.5Å; L332-H335 PolarHBondContact O-N 3.47Å; L332-H335 VanDerWaalsContact O-N 3.14Å; L332-L336 HydrophobicContact CD1-CD1 4.07Å; L332-L336 HydrophobicContact CD1-CD2 4.45Å; L332-L336 HydrophobicContact CD1-CG 4Å; L332-L336 HydrophobicContact CD2-CD1 4.25Å; L332-L336 HydrophobicContact CG-CD1 3.7Å; L332-L336 HydrophobicContact CG-CG 4.1Å; L332-L336 WeakPolarHBondContact O-CB 3.28Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.93Å; L332-V358 HydrophobicContact CD1-CG1 4.12Å; L332-V358 HydrophobicContact CD2-CG1 3.54Å; L332-V358 HydrophobicContact CG-CG1 4.47Å; L332-L362 HydrophobicContact CD2-CD1 4.06Å; L332-L362 HydrophobicContact CD2-CD2 4.2Å; L332-I417 HydrophobicContact CD2-CG2 3.67Å; L332-I417 HydrophobicContact CG-CG2 4.31Å
333	D	70.5	Confident	69.6	Low	25 Å²	25	50.1 Å²	50.1	13%	0.134	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-43	179.7	-161.6	39.3	0	0	0	111	L329 I330 L336 R337 I417	L329-D333 WeakPolarHBondContact O-CB 3.46Å; L329-D333 PolarHBondContact O-N 2.95Å; I330-D333 PolarHBondContact O-N 3.05Å; D333-L336 PolarHBondContact O-N 3.11Å; D333-R337 PolarHBondContact O-N 2.74Å; D333-I417 HydrophobicContact CB-CD1 4.35Å
334	N	75.2	Confident	68.8	Low	91 Å²	91	47.6 Å²	47.6	49%	0.487	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-44	175.2	-72.3	-23.9	0	0	0	112.6	I330 L332 V338	I330-N334 PolarHBondContact O-N 3.31Å; I330-N334 VanDerWaalsContact O-N 3.16Å; I330-N334 PolarHBondContact O-ND2 2.95Å; L332-N334 VanDerWaalsContact C-N 3.29Å; L332-N334 PolarHBondContact O-N 3.5Å; N334-V338 WeakPolarHBondContact O-CG2 3.38Å; N334-V338 PolarHBondContact O-N 2.97Å
335	H	73.7	Confident	67.9	Low	43 Å²	43	47.5 Å²	47.5	20%	0.199	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-40.8	176.7	-64.6	147.2	0	0	0	112	F298 Q331 L332 V339	F298-H335 HydrophobicContact CE1-CB 4.26Å; F298-H335 HydrophobicContact CZ-CB 4.36Å; Q331-H335 VanDerWaalsContact O-CG 3.24Å; Q331-H335 PolarHBondContact O-N 3.04Å; Q331-H335 VanDerWaalsContact O-N 3.13Å; Q331-H335 PolarHBondContact O-ND1 3.48Å; Q331-H335 VanDerWaalsContact O-ND1 3.09Å; L332-H335 PolarHBondContact O-N 3.47Å; L332-H335 VanDerWaalsContact O-N 3.14Å; H335-V339 WeakPolarHBondContact O-CB 3.42Å; H335-V339 WeakPolarHBondContact O-CG2 3.42Å; H335-V339 PolarHBondContact O-N 3.39Å; H335-V339 VanDerWaalsContact O-N 3.11Å
336	L	69.4	Low	66.6	Low	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-43.9	-180	-71.2	171.9	0	0	0	112	F298 L332 D333 V338 V339 F340 I417 L420 L421	F298-L336 HydrophobicContact CE1-CD2 3.63Å; F298-L336 HydrophobicContact CE1-CG 4.17Å; F298-L336 HydrophobicContact CZ-CD2 3.69Å; F298-L336 HydrophobicContact CZ-CG 4.38Å; L332-L336 HydrophobicContact CD1-CD1 4.07Å; L332-L336 HydrophobicContact CD1-CD2 4.45Å; L332-L336 HydrophobicContact CD1-CG 4Å; L332-L336 HydrophobicContact CD2-CD1 4.25Å; L332-L336 HydrophobicContact CG-CD1 3.7Å; L332-L336 HydrophobicContact CG-CG 4.1Å; L332-L336 WeakPolarHBondContact O-CB 3.28Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.93Å; D333-L336 PolarHBondContact O-N 3.11Å; L336-V338 PolarHBondContact O-N 3.2Å; L336-V339 PolarHBondContact O-N 2.98Å; L336-F340 HydrophobicContact CB-CD2 4.3Å; L336-F340 HydrophobicContact CB-CE2 4.14Å; L336-F340 HydrophobicContact CD2-CE1 4.14Å; L336-F340 HydrophobicContact CD2-CE2 3.8Å; L336-F340 HydrophobicContact CD2-CZ 3.52Å; L336-F340 HydrophobicContact CG-CE2 4.44Å; L336-F340 VanDerWaalsContact O-CB 3.28Å; L336-F340 WeakPolarHBondContact O-CB 3.4Å; L336-F340 WeakPolarHBondContact O-CG 3.4Å; L336-F340 PolarHBondContact O-N 3.23Å; L336-I417 HydrophobicContact CD1-CG2 3.78Å; L336-L420 HydrophobicContact CB-CD2 3.98Å; L336-L420 HydrophobicContact CD1-CD2 4.21Å; L336-L421 HydrophobicContact CD1-CD2 3.67Å; L336-L421 HydrophobicContact CD1-CG 4.1Å; L336-L421 HydrophobicContact CD2-CD2 3.42Å; L336-L421 VanDerWaalsContact CD2-CD2 3.42Å; L336-L421 HydrophobicContact CG-CD2 4.22Å
337	R	68.9	Low	65.4	Low	153 Å²	153	55.9 Å²	55.9	58%	0.577	27%	0.274	S	S	*	.	H	α-helix	trans	-54.9	-52.5	175.4	-102	-178.1	165.5	-166.3	-6.2	111.8	D333 V339 F340 E341	D333-R337 PolarHBondContact O-N 2.74Å; R337-V339 VanDerWaalsContact C-N 3.28Å; R337-V339 PolarHBondContact O-N 3.38Å; R337-F340 PolarHBondContact O-N 2.9Å; R337-E341 VanDerWaalsContact O-CB 3.24Å; R337-E341 WeakPolarHBondContact O-CB 3.09Å; R337-E341 VanDerWaalsContact O-CG 3.26Å; R337-E341 WeakPolarHBondContact O-CG 3.36Å; R337-E341 PolarHBondContact O-N 2.84Å
338	V	66.6	Low	64.1	Low	45 Å²	45	53.9 Å²	53.9	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-62.9	-38.2	-177.9	-178.7	0	0	0	0	111.7	Y294 N334 L336 N342	Y294-V338 HydrophobicContact CE1-CB 3.99Å; Y294-V338 HydrophobicContact CE1-CG1 3.86Å; Y294-V338 HydrophobicContact CE2-CG1 3.83Å; Y294-V338 VanDerWaalsContact CZ-CG1 3.4Å; Y294-V338 WeakPolarHBondContact OH-CG1 3.46Å; N334-V338 WeakPolarHBondContact O-CG2 3.38Å; N334-V338 PolarHBondContact O-N 2.97Å; L336-V338 PolarHBondContact O-N 3.2Å; V338-N342 WeakPolarHBondContact CG1-ND2 3.49Å; V338-N342 VanDerWaalsContact O-CB 3.32Å; V338-N342 WeakPolarHBondContact O-CB 3.2Å; V338-N342 PolarHBondContact O-N 2.85Å; V338-N342 PolarHBondContact O-ND2 2.84Å
339	V	63.7	Low	62.9	Low	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-72.8	-43.5	-178.5	172.5	0	0	0	0	111.3	Y294 F298 H335 L336 R337 Y343 L351	Y294-V339 HydrophobicContact CD1-CG2 3.86Å; Y294-V339 HydrophobicContact CG-CG2 3.76Å; F298-V339 HydrophobicContact CE2-CB 4.18Å; F298-V339 HydrophobicContact CE2-CG1 4.13Å; F298-V339 HydrophobicContact CE2-CG2 3.63Å; F298-V339 HydrophobicContact CZ-CB 4.32Å; F298-V339 HydrophobicContact CZ-CG2 4Å; H335-V339 WeakPolarHBondContact O-CB 3.42Å; H335-V339 WeakPolarHBondContact O-CG2 3.42Å; H335-V339 PolarHBondContact O-N 3.39Å; H335-V339 VanDerWaalsContact O-N 3.11Å; L336-V339 PolarHBondContact O-N 2.98Å; R337-V339 VanDerWaalsContact C-N 3.28Å; R337-V339 PolarHBondContact O-N 3.38Å; V339-Y343 WeakPolarHBondContact O-CB 3.44Å; V339-Y343 PolarHBondContact O-N 3.2Å; V339-L351 HydrophobicContact CG1-CD1 4.49Å; V339-L351 HydrophobicContact CG1-CD2 4.24Å
340	F	63.9	Low	62.2	Low	27 Å²	27	66 Å²	66	12%	0.118	33%	0.331	C	S	.	.	H	α-helix	trans	-76.5	-29.1	-177.2	-63.8	-13.2	0	0	0	112.9	L336 R337 L420 L421 Y424	L336-F340 HydrophobicContact CB-CD2 4.3Å; L336-F340 HydrophobicContact CB-CE2 4.14Å; L336-F340 HydrophobicContact CD2-CE1 4.14Å; L336-F340 HydrophobicContact CD2-CE2 3.8Å; L336-F340 HydrophobicContact CD2-CZ 3.52Å; L336-F340 HydrophobicContact CG-CE2 4.44Å; L336-F340 VanDerWaalsContact O-CB 3.28Å; L336-F340 WeakPolarHBondContact O-CB 3.4Å; L336-F340 WeakPolarHBondContact O-CG 3.4Å; L336-F340 PolarHBondContact O-N 3.23Å; R337-F340 PolarHBondContact O-N 2.9Å; F340-L420 HydrophobicContact CD2-CD1 4.46Å; F340-L420 HydrophobicContact CD2-CD2 4.25Å; F340-L420 HydrophobicContact CD2-CG 4.06Å; F340-L420 HydrophobicContact CE2-CD2 4.29Å; F340-L420 HydrophobicContact CE2-CG 4.01Å; F340-L421 HydrophobicContact CE2-CD2 4.46Å; F340-L421 HydrophobicContact CZ-CD2 4.15Å; F340-Y424 HydrophobicContact CB-CD2 4.26Å; F340-Y424 HydrophobicContact CB-CE2 4.45Å; F340-Y424 HydrophobicContact CD1-CD1 4.02Å; F340-Y424 AromaticContact CD1-CD2 3.3Å; F340-Y424 HydrophobicContact CD1-CD2 3.3Å; F340-Y424 HydrophobicContact CD1-CE1 4.02Å; F340-Y424 AromaticContact CD1-CE2 3.32Å; F340-Y424 HydrophobicContact CD1-CE2 3.32Å; F340-Y424 AromaticContact CD1-CG 3.67Å; F340-Y424 HydrophobicContact CD1-CG 3.67Å; F340-Y424 AromaticContact CD1-CZ 3.7Å; F340-Y424 HydrophobicContact CD2-CD2 4.13Å; F340-Y424 HydrophobicContact CD2-CG 4.24Å; F340-Y424 AromaticContact CE1-CD1 3.31Å; F340-Y424 HydrophobicContact CE1-CD1 3.31Å; F340-Y424 AromaticContact CE1-CD2 3.51Å; F340-Y424 HydrophobicContact CE1-CD2 3.51Å; F340-Y424 AromaticContact CE1-CE1 3.48Å; F340-Y424 HydrophobicContact CE1-CE1 3.48Å; F340-Y424 VanDerWaalsContact CE1-CE1 3.48Å; F340-Y424 AromaticContact CE1-CE2 3.68Å; F340-Y424 HydrophobicContact CE1-CE2 3.68Å; F340-Y424 AromaticContact CE1-CG 3.32Å; F340-Y424 HydrophobicContact CE1-CG 3.32Å; F340-Y424 AromaticContact CE1-CZ 3.67Å; F340-Y424 HydrophobicContact CE2-CD1 4.49Å; F340-Y424 HydrophobicContact CE2-CD2 4.28Å; F340-Y424 AromaticContact CE2-CG 3.92Å; F340-Y424 HydrophobicContact CE2-CG 3.92Å; F340-Y424 AromaticContact CG-CD2 3.64Å; F340-Y424 HydrophobicContact CG-CD2 3.64Å; F340-Y424 HydrophobicContact CG-CE2 4.01Å; F340-Y424 HydrophobicContact CG-CG 4.12Å; F340-Y424 AromaticContact CZ-CD1 3.58Å; F340-Y424 HydrophobicContact CZ-CD1 3.58Å; F340-Y424 AromaticContact CZ-CD2 3.98Å; F340-Y424 HydrophobicContact CZ-CD2 3.98Å; F340-Y424 HydrophobicContact CZ-CE1 4.21Å; F340-Y424 AromaticContact CZ-CG 3.44Å; F340-Y424 HydrophobicContact CZ-CG 3.44Å; F340-Y424 VanDerWaalsContact CZ-CG 3.44Å
341	E	63.4	Low	61.8	Low	112 Å²	112	62.3 Å²	62.3	52%	0.523	31%	0.313	S	S	.	.	H	α-helix	trans	-75.4	-40.2	173.9	-71.9	173.3	-177.7	0	0	112.2	R337	R337-E341 VanDerWaalsContact O-CB 3.24Å; R337-E341 WeakPolarHBondContact O-CB 3.09Å; R337-E341 VanDerWaalsContact O-CG 3.26Å; R337-E341 WeakPolarHBondContact O-CG 3.36Å; R337-E341 PolarHBondContact O-N 2.84Å
342	N	58.3	Low	61.3	Low	86 Å²	86	60.4 Å²	60.4	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-99.1	-19.6	-170.7	-62.8	-60.4	0	0	0	115.5	V338 P344	V338-N342 WeakPolarHBondContact CG1-ND2 3.49Å; V338-N342 VanDerWaalsContact O-CB 3.32Å; V338-N342 WeakPolarHBondContact O-CB 3.2Å; V338-N342 PolarHBondContact O-N 2.85Å; V338-N342 PolarHBondContact O-ND2 2.84Å; N342-P344 VanDerWaalsContact C-CD 3.48Å; N342-P344 WeakPolarHBondContact O-CD 3.28Å
343	Y	59.6	Low	60.8	Low	20 Å²	20	63.1 Å²	63.1	8%	0.078	32%	0.32	C	S	.	.	S	Bend	trans	-125.9	78	-173.8	-57.6	-80.7	0	0	0	112.6	H287 T290 L291 Y294 V339 L345	H287-Y343 HydrophobicContact CB-CE1 4.27Å; H287-Y343 AromaticContact ND1-CE1 3.77Å; H287-Y343 WeakPolarHBondContact O-CE1 3.22Å; T290-Y343 WeakPolarHBondContact CB-OH 3.5Å; T290-Y343 WeakPolarHBondContact CG2-OH 3.29Å; L291-Y343 HydrophobicContact CB-CD1 4.06Å; L291-Y343 HydrophobicContact CB-CE1 3.77Å; L291-Y343 HydrophobicContact CD1-CD1 4.04Å; L291-Y343 HydrophobicContact CD1-CD2 3.88Å; L291-Y343 HydrophobicContact CD1-CE1 4.45Å; L291-Y343 HydrophobicContact CD1-CE2 4.31Å; L291-Y343 HydrophobicContact CD1-CG 3.73Å; L291-Y343 HydrophobicContact CD2-CD1 3.75Å; L291-Y343 HydrophobicContact CD2-CE1 4.26Å; L291-Y343 HydrophobicContact CD2-CG 4.16Å; L291-Y343 HydrophobicContact CG-CD1 4.19Å; L291-Y343 HydrophobicContact CG-CE1 4.4Å; L291-Y343 HydrophobicContact CG-CG 4.38Å; Y294-Y343 HydrophobicContact CD2-CE2 4.49Å; V339-Y343 WeakPolarHBondContact O-CB 3.44Å; V339-Y343 PolarHBondContact O-N 3.2Å; Y343-L345 PolarHBondContact O-N 2.79Å
344	P	52.3	Low	60.7	Low	66 Å²	66	63.9 Å²	63.9	43%	0.429	32%	0.322	S	S	.	.			trans	-72.7	120.6	177.9	24.9	-30.3	0	0	0	113.8	I275 N342 Y346	I275-P344 HydrophobicContact CD1-CG 4.37Å; N342-P344 VanDerWaalsContact C-CD 3.48Å; N342-P344 WeakPolarHBondContact O-CD 3.28Å; P344-Y346 PolarHBondContact O-N 3.21Å
345	L	51.7	Low	60.4	Low	45 Å²	45	59.7 Å²	59.7	24%	0.236	30%	0.3	C	S	.	.	S	Bend	trans	67.2	-36.1	141.4	-64.1	152.2	0	0	0	121.2	Y343 T427 I428 Q431	Y343-L345 PolarHBondContact O-N 2.79Å; L345-T427 HydrophobicContact CD2-CG2 3.75Å; L345-I428 HydrophobicContact CD2-CG1 4.07Å; L345-Q431 VanDerWaalsContact CD1-OE1 3.27Å
346	Y	43.7	Very low	60	Low	134 Å²	134	57.7 Å²	57.7	53%	0.525	29%	0.29	S	S	.	.	S	Bend	trans	-118.5	-11.2	-167.6	-85.2	-86.3	0	0	0	117.8	P344 N435	P344-Y346 PolarHBondContact O-N 3.21Å; Y346-N435 PolarHBondContact OH-ND2 3.42Å
347	T	43.5	Very low	60.1	Low	106 Å²	106	58.8 Å²	58.8	65%	0.65	30%	0.297	S	S	*	.	S	Bend	trans	-97.2	-14.6	-164.8	44.6	0	0	0	0	116.4
348	C	47.7	Very low	60.3	Low	33 Å²	33	51.6 Å²	51.6	22%	0.223	27%	0.27	C	S	.	.			trans	-124.6	95.9	-169.8	-94.3	0	0	0	0	115.9	L291 G350 L351	L291-C348 HydrophobicContact CD2-CB 4.26Å; L291-C348 WeakPolarHBondContact CD2-SG 3.38Å; C348-G350 PolarHBondContact O-N 3.36Å; C348-L351 HydrophobicContact CB-CB 4.05Å; C348-L351 PolarHBondContact O-N 3.43Å
349	K	52.4	Low	60.2	Low	218 Å²	218	49.5 Å²	49.5	95%	0.948	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	119.2	161.6	-73.8	-177	178.2	178.6	0	109.1
350	G	58.1	Low	60.7	Low	37 Å²	37	53 Å²	53	38%	0.381	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	-23.4	176.7	0	0	0	0	0	115.4	C348 N353 K354	C348-G350 PolarHBondContact O-N 3.36Å; G350-N353 PolarHBondContact O-N 3.46Å; G350-K354 PolarHBondContact O-N 3.5Å; G350-K354 VanDerWaalsContact O-N 3.1Å
351	L	65.1	Low	61.3	Low	5 Å²	5	52.5 Å²	52.5	3%	0.026	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-44.6	176	-176.6	63.7	0	0	0	112.3	L295 F298 V339 C348 N353 K354 V355 Y424	L295-L351 HydrophobicContact CD2-CB 4.43Å; L295-L351 HydrophobicContact CD2-CD1 3.78Å; F298-L351 HydrophobicContact CE2-CD1 4.35Å; V339-L351 HydrophobicContact CG1-CD1 4.49Å; V339-L351 HydrophobicContact CG1-CD2 4.24Å; C348-L351 HydrophobicContact CB-CB 4.05Å; C348-L351 PolarHBondContact O-N 3.43Å; L351-N353 PolarHBondContact O-N 2.85Å; L351-K354 PolarHBondContact O-N 2.98Å; L351-K354 VanDerWaalsContact O-N 3.13Å; L351-V355 HydrophobicContact CD1-CG2 4.05Å; L351-V355 HydrophobicContact CG-CG2 4.15Å; L351-V355 VanDerWaalsContact O-CG2 3.24Å; L351-V355 WeakPolarHBondContact O-CG2 3.14Å; L351-V355 PolarHBondContact O-N 3.33Å; L351-Y424 HydrophobicContact CD2-CE1 4.03Å; L351-Y424 WeakPolarHBondContact CD2-OH 3.41Å; L351-Y424 HydrophobicContact CG-CE1 4.37Å
352	P	62.8	Low	61.6	Low	21 Å²	21	47.2 Å²	47.2	14%	0.136	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-43	178.1	-24.1	33.3	0	0	0	113.6	K354 V355 I356 I428 I453	P352-K354 VanDerWaalsContact C-N 3.34Å; P352-K354 PolarHBondContact O-N 2.91Å; P352-V355 PolarHBondContact O-N 2.97Å; P352-I356 WeakPolarHBondContact O-CG1 3.43Å; P352-I356 PolarHBondContact O-N 3.17Å; P352-I428 HydrophobicContact CG-CD1 4.02Å; P352-I428 HydrophobicContact CG-CG2 4.44Å; P352-I453 HydrophobicContact CB-CG2 4.25Å
353	N	66.2	Low	61.9	Low	57 Å²	57	43.1 Å²	43.1	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-66.9	-36.8	178.9	-173.2	48.9	0	0	0	111.4	G350 L351 T357 I453 K456	G350-N353 PolarHBondContact O-N 3.46Å; L351-N353 PolarHBondContact O-N 2.85Å; N353-T357 WeakPolarHBondContact O-CB 3.29Å; N353-T357 PolarHBondContact O-N 3.09Å; N353-T357 PolarHBondContact O-OG1 3.3Å; N353-I453 HydrophobicContact CB-CD1 4.34Å; N353-I453 HydrophobicContact CB-CG1 4.31Å; N353-K456 PolarHBondContact OD1-NZ 3.25Å; N353-K456 VanDerWaalsContact OD1-NZ 3.15Å
354	K	69.6	Low	62.4	Low	42 Å²	42	43.3 Å²	43.3	18%	0.183	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-45.2	172.7	-72.8	-174	175.9	-166.2	0	111.7	L295 D299 G350 L351 P352 I356 T357 V358	L295-K354 HydrophobicContact CD2-CD 3.96Å; L295-K354 PolarHBondContact O-NZ 2.88Å; D299-K354 WeakPolarHBondContact OD1-CE 3.39Å; D299-K354 IonicContact OD1-NZ 3.6Å; D299-K354 PolarHBondContact OD1-NZ 3.29Å; D299-K354 IonicContact OD2-NZ 2.69Å; D299-K354 PolarHBondContact OD2-NZ 3.44Å; G350-K354 PolarHBondContact O-N 3.5Å; G350-K354 VanDerWaalsContact O-N 3.1Å; L351-K354 PolarHBondContact O-N 2.98Å; L351-K354 VanDerWaalsContact O-N 3.13Å; P352-K354 VanDerWaalsContact C-N 3.34Å; P352-K354 PolarHBondContact O-N 2.91Å; K354-I356 PolarHBondContact O-N 3.49Å; K354-T357 WeakPolarHBondContact O-CB 3.11Å; K354-T357 PolarHBondContact O-N 2.99Å; K354-V358 WeakPolarHBondContact O-CG2 3.34Å; K354-V358 PolarHBondContact O-N 3.47Å
355	V	68.3	Low	63.1	Low	3 Å²	3	40.1 Å²	40.1	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-42.8	178.2	-179	0	0	0	0	110.7	L351 P352 T357 V358 M359 L421 Y424 I425	L351-V355 HydrophobicContact CD1-CG2 4.05Å; L351-V355 HydrophobicContact CG-CG2 4.15Å; L351-V355 VanDerWaalsContact O-CG2 3.24Å; L351-V355 WeakPolarHBondContact O-CG2 3.14Å; L351-V355 PolarHBondContact O-N 3.33Å; P352-V355 PolarHBondContact O-N 2.97Å; V355-T357 PolarHBondContact O-N 3.28Å; V355-V358 WeakPolarHBondContact O-CB 3.41Å; V355-V358 PolarHBondContact O-N 3.22Å; V355-M359 WeakPolarHBondContact O-CG 3.41Å; V355-M359 PolarHBondContact O-N 2.86Å; V355-L421 HydrophobicContact CG1-CB 3.97Å; V355-L421 HydrophobicContact CG1-CD2 3.45Å; V355-L421 VanDerWaalsContact CG1-CD2 3.45Å; V355-L421 HydrophobicContact CG1-CG 4.29Å; V355-Y424 HydrophobicContact CG2-CD1 4.37Å; V355-Y424 HydrophobicContact CG2-CE1 4.4Å; V355-I425 HydrophobicContact CB-CD1 3.79Å; V355-I425 HydrophobicContact CB-CG1 4.05Å; V355-I425 HydrophobicContact CG1-CD1 3.24Å; V355-I425 HydrophobicContact CG1-CG1 3.57Å
356	I	64.2	Low	63.5	Low	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.6	-42.3	174.7	-67.3	171.6	0	0	0	111.5	P352 K354 V358 M359 E360 I425 I453 K456 L457 V460	P352-I356 WeakPolarHBondContact O-CG1 3.43Å; P352-I356 PolarHBondContact O-N 3.17Å; K354-I356 PolarHBondContact O-N 3.49Å; I356-V358 VanDerWaalsContact C-N 3.29Å; I356-V358 PolarHBondContact O-N 3.38Å; I356-M359 WeakPolarHBondContact O-CA 3.33Å; I356-M359 WeakPolarHBondContact O-CB 3.48Å; I356-M359 PolarHBondContact O-N 3.33Å; I356-E360 PolarHBondContact O-N 2.78Å; I356-I425 HydrophobicContact CG1-CD1 3.6Å; I356-I453 HydrophobicContact CD1-CB 4.35Å; I356-I453 HydrophobicContact CD1-CG2 3.28Å; I356-I453 WeakPolarHBondContact CD1-O 3.22Å; I356-K456 HydrophobicContact CG2-CB 3.92Å; I356-L457 HydrophobicContact CD1-CB 3.95Å; I356-L457 HydrophobicContact CG1-CB 4.41Å; I356-L457 HydrophobicContact CG1-CD1 4.33Å; I356-V460 HydrophobicContact CG2-CG2 4.13Å
357	T	72.9	Confident	64.4	Low	25 Å²	25	34 Å²	34	15%	0.153	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-38.7	177	-54.4	0	0	0	0	111.3	I302 N353 K354 V355 M359 E360 L361	I302-T357 HydrophobicContact CD1-CG2 4.46Å; I302-T357 HydrophobicContact CG2-CG2 4.22Å; N353-T357 WeakPolarHBondContact O-CB 3.29Å; N353-T357 PolarHBondContact O-N 3.09Å; N353-T357 PolarHBondContact O-OG1 3.3Å; K354-T357 WeakPolarHBondContact O-CB 3.11Å; K354-T357 PolarHBondContact O-N 2.99Å; V355-T357 PolarHBondContact O-N 3.28Å; T357-M359 VanDerWaalsContact C-N 3.34Å; T357-E360 PolarHBondContact O-N 3.48Å; T357-L361 WeakPolarHBondContact O-CG 3.4Å; T357-L361 PolarHBondContact O-N 2.74Å
358	V	73.4	Confident	65.3	Low	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-46.4	172.3	169.6	0	0	0	0	110	W301 I302 L332 K354 V355 I356 E360 L361 L362 L421	W301-V358 HydrophobicContact CE3-CG1 4.47Å; W301-V358 HydrophobicContact CE3-CG2 4.14Å; W301-V358 HydrophobicContact CH2-CG1 4.16Å; W301-V358 HydrophobicContact CZ3-CB 4.28Å; W301-V358 HydrophobicContact CZ3-CG1 3.78Å; W301-V358 HydrophobicContact CZ3-CG2 4.03Å; I302-V358 HydrophobicContact CD1-CG2 4.01Å; I302-V358 HydrophobicContact CG1-CG2 3.82Å; L332-V358 HydrophobicContact CD1-CG1 4.12Å; L332-V358 HydrophobicContact CD2-CG1 3.54Å; L332-V358 HydrophobicContact CG-CG1 4.47Å; K354-V358 WeakPolarHBondContact O-CG2 3.34Å; K354-V358 PolarHBondContact O-N 3.47Å; V355-V358 WeakPolarHBondContact O-CB 3.41Å; V355-V358 PolarHBondContact O-N 3.22Å; I356-V358 VanDerWaalsContact C-N 3.29Å; I356-V358 PolarHBondContact O-N 3.38Å; V358-E360 PolarHBondContact O-N 3.03Å; V358-L361 PolarHBondContact O-N 3.29Å; V358-L362 HydrophobicContact CG1-CD1 3.87Å; V358-L362 HydrophobicContact CG1-CG 4.29Å; V358-L362 VanDerWaalsContact O-CG 3.28Å; V358-L362 WeakPolarHBondContact O-CG 3.4Å; V358-L362 PolarHBondContact O-N 3.31Å; V358-L421 HydrophobicContact CG1-CD1 3.75Å; V358-L421 HydrophobicContact CG1-CD2 4.43Å
359	M	64.4	Low	65.8	Low	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-61.5	-43	178	-63.9	175.6	69.4	0	0	113.2	V355 I356 T357 L361 L362 V363 I418 L421 L422 I425 L457 V460	V355-M359 WeakPolarHBondContact O-CG 3.41Å; V355-M359 PolarHBondContact O-N 2.86Å; I356-M359 WeakPolarHBondContact O-CA 3.33Å; I356-M359 WeakPolarHBondContact O-CB 3.48Å; I356-M359 PolarHBondContact O-N 3.33Å; T357-M359 VanDerWaalsContact C-N 3.34Å; M359-L361 VanDerWaalsContact C-N 3.26Å; M359-L361 PolarHBondContact O-N 3.35Å; M359-L362 PolarHBondContact O-N 2.7Å; M359-L362 VanDerWaalsContact O-N 3.17Å; M359-V363 WeakPolarHBondContact O-CG2 3.1Å; M359-V363 PolarHBondContact O-N 2.98Å; M359-I418 HydrophobicContact CE-CG2 4Å; M359-L421 HydrophobicContact CG-CB 3.68Å; M359-L421 HydrophobicContact CG-CD1 3.58Å; M359-L421 HydrophobicContact CG-CG 4.22Å; M359-L421 HydrophobicContact SD-CB 3.83Å; M359-L422 HydrophobicContact CE-CD1 4.26Å; M359-L422 HydrophobicContact CE-CD2 3.49Å; M359-L422 VanDerWaalsContact CE-CD2 3.49Å; M359-L422 HydrophobicContact CE-CG 3.42Å; M359-L422 VanDerWaalsContact CE-CG 3.42Å; M359-I425 HydrophobicContact SD-CD1 3.61Å; M359-L457 HydrophobicContact CE-CD1 4.25Å; M359-L457 HydrophobicContact SD-CD1 4.17Å; M359-V460 HydrophobicContact CB-CG1 3.81Å; M359-V460 HydrophobicContact CE-CG1 4.02Å
360	E	73.9	Confident	65.8	Low	73 Å²	73	22 Å²	22	34%	0.341	12%	0.122	S	C	.	.	H	α-helix	trans	-54.7	-44.3	175.2	-75	175.4	171.1	0	0	111.6	I356 T357 V358 T364 V460	I356-E360 PolarHBondContact O-N 2.78Å; T357-E360 PolarHBondContact O-N 3.48Å; V358-E360 PolarHBondContact O-N 3.03Å; E360-T364 PolarHBondContact O-N 3.05Å; E360-T364 VanDerWaalsContact O-N 3.15Å; E360-T364 PolarHBondContact O-OG1 3.03Å; E360-V460 HydrophobicContact CB-CG2 4.31Å; E360-V460 HydrophobicContact CG-CG2 3.22Å
361	L	76.2	Confident	65	Low	18 Å²	18	22 Å²	22	9%	0.094	12%	0.115	C	C	.	.	H	α-helix	trans	-68.4	-38.8	179	-68.9	172.6	0	0	0	112.2	I302 T305 K306 T357 V358 M359 T364 Q365	I302-L361 HydrophobicContact CB-CD1 4.42Å; I302-L361 HydrophobicContact CG2-CD1 3.95Å; T305-L361 HydrophobicContact CG2-CB 3.9Å; T305-L361 HydrophobicContact CG2-CD1 4.09Å; T305-L361 HydrophobicContact CG2-CG 4.41Å; K306-L361 HydrophobicContact CG-CD1 4.04Å; K306-L361 HydrophobicContact CG-CD2 3.73Å; T357-L361 WeakPolarHBondContact O-CG 3.4Å; T357-L361 PolarHBondContact O-N 2.74Å; V358-L361 PolarHBondContact O-N 3.29Å; M359-L361 VanDerWaalsContact C-N 3.26Å; M359-L361 PolarHBondContact O-N 3.35Å; L361-T364 WeakPolarHBondContact O-CB 3.42Å; L361-T364 PolarHBondContact O-N 2.95Å; L361-Q365 WeakPolarHBondContact O-CG 3.25Å; L361-Q365 PolarHBondContact O-N 3.38Å
362	L	70	Confident	63.8	Low	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.6	-42.8	176.8	-66.3	171.9	0	0	0	112	W301 L329 L332 V358 M359 T364 Q365 I366 L414 I417 I418 L421	W301-L362 HydrophobicContact CH2-CD2 3.9Å; W301-L362 HydrophobicContact CH2-CG 4.34Å; W301-L362 HydrophobicContact CZ2-CD2 4.33Å; L329-L362 HydrophobicContact CD2-CD2 3.37Å; L332-L362 HydrophobicContact CD2-CD1 4.06Å; L332-L362 HydrophobicContact CD2-CD2 4.2Å; V358-L362 HydrophobicContact CG1-CD1 3.87Å; V358-L362 HydrophobicContact CG1-CG 4.29Å; V358-L362 VanDerWaalsContact O-CG 3.28Å; V358-L362 WeakPolarHBondContact O-CG 3.4Å; V358-L362 PolarHBondContact O-N 3.31Å; M359-L362 PolarHBondContact O-N 2.7Å; M359-L362 VanDerWaalsContact O-N 3.17Å; L362-T364 PolarHBondContact O-N 2.92Å; L362-Q365 WeakPolarHBondContact O-CA 3.21Å; L362-Q365 WeakPolarHBondContact O-CB 3.36Å; L362-Q365 PolarHBondContact O-N 2.73Å; L362-I366 PolarHBondContact O-N 2.86Å; L362-L414 HydrophobicContact CB-CD2 4.37Å; L362-L414 HydrophobicContact CD2-CD2 3.68Å; L362-I417 HydrophobicContact CD1-CB 4.41Å; L362-I417 HydrophobicContact CD1-CG2 3.6Å; L362-I418 HydrophobicContact CB-CD1 3.96Å; L362-I418 HydrophobicContact CB-CG1 3.9Å; L362-I418 HydrophobicContact CD1-CG1 3.94Å; L362-L421 HydrophobicContact CD1-CD1 3.51Å
363	V	64.9	Low	62.4	Low	1 Å²	1	31.6 Å²	31.6	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-60	-38.7	174.7	173.5	0	0	0	0	110.9	M359 Q365 I366 T367 I418 V460 R463 L464 Q467	M359-V363 WeakPolarHBondContact O-CG2 3.1Å; M359-V363 PolarHBondContact O-N 2.98Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 3.22Å; V363-I366 WeakPolarHBondContact O-CB 3.32Å; V363-I366 PolarHBondContact O-N 3.34Å; V363-T367 PolarHBondContact O-N 3.11Å; V363-T367 PolarHBondContact O-OG1 3.33Å; V363-I418 HydrophobicContact CG2-CD1 4.1Å; V363-V460 HydrophobicContact CG2-CG1 4.05Å; V363-R463 HydrophobicContact CG1-CB 4.13Å; V363-R463 HydrophobicContact CG1-CG 3.79Å; V363-L464 HydrophobicContact CG2-CB 4.16Å; V363-L464 HydrophobicContact CG2-CD1 3.85Å; V363-Q467 HydrophobicContact CG1-CG 4.47Å
364	T	70.3	Confident	60.5	Low	23 Å²	23	34.7 Å²	34.7	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-64.9	-38.4	174.9	-49.4	0	0	0	0	111.1	E360 L361 L362 T367 Y368	E360-T364 PolarHBondContact O-N 3.05Å; E360-T364 VanDerWaalsContact O-N 3.15Å; E360-T364 PolarHBondContact O-OG1 3.03Å; L361-T364 WeakPolarHBondContact O-CB 3.42Å; L361-T364 PolarHBondContact O-N 2.95Å; L362-T364 PolarHBondContact O-N 2.92Å; T364-T367 WeakPolarHBondContact O-CB 3.37Å; T364-T367 PolarHBondContact O-N 2.97Å; T364-T367 PolarHBondContact O-OG1 2.66Å; T364-Y368 HydrophobicContact CG2-CE2 3.8Å; T364-Y368 WeakPolarHBondContact O-CD2 3.23Å; T364-Y368 WeakPolarHBondContact O-CE2 3.45Å
365	Q	66.8	Low	58.4	Low	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.5	-38.1	174.9	-73.8	-179.3	-17.9	0	0	113.2	N309 L361 L362 V363 T367 Y368 T369 L414	N309-Q365 VanDerWaalsContact OD1-CG 3.28Å; N309-Q365 WeakPolarHBondContact OD1-CG 3.39Å; N309-Q365 PolarHBondContact OD1-NE2 3.1Å; L361-Q365 WeakPolarHBondContact O-CG 3.25Å; L361-Q365 PolarHBondContact O-N 3.38Å; L362-Q365 WeakPolarHBondContact O-CA 3.21Å; L362-Q365 WeakPolarHBondContact O-CB 3.36Å; L362-Q365 PolarHBondContact O-N 2.73Å; V363-Q365 VanDerWaalsContact C-N 3.33Å; V363-Q365 PolarHBondContact O-N 3.22Å; Q365-T367 PolarHBondContact O-N 2.99Å; Q365-Y368 PolarHBondContact O-N 3.49Å; Q365-Y368 VanDerWaalsContact O-N 3.07Å; Q365-T369 WeakPolarHBondContact O-CG2 3.47Å; Q365-T369 PolarHBondContact O-N 2.94Å; Q365-T369 PolarHBondContact O-OG1 2.7Å; Q365-L414 HydrophobicContact CB-CD1 4.32Å; Q365-L414 HydrophobicContact CB-CD2 4.11Å
366	I	59.9	Low	56.2	Low	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-52.8	-45.5	174.5	-69.9	173.5	0	0	0	110.1	L362 V363 Y368 T369 L370 L414 M415 I418 L464 Q467	L362-I366 PolarHBondContact O-N 2.86Å; V363-I366 WeakPolarHBondContact O-CB 3.32Å; V363-I366 PolarHBondContact O-N 3.34Å; I366-Y368 PolarHBondContact O-N 3.48Å; I366-T369 WeakPolarHBondContact CA-OG1 3.39Å; I366-T369 PolarHBondContact O-N 3.11Å; I366-T369 VanDerWaalsContact O-N 3.09Å; I366-T369 PolarHBondContact O-OG1 3.33Å; I366-L370 HydrophobicContact CG2-CD1 3.92Å; I366-L370 HydrophobicContact CG2-CG 4.29Å; I366-L370 WeakPolarHBondContact O-CG 3.24Å; I366-L370 PolarHBondContact O-N 3.5Å; I366-L370 VanDerWaalsContact O-N 3.09Å; I366-L414 HydrophobicContact CD1-CB 4.33Å; I366-L414 HydrophobicContact CG1-CB 3.92Å; I366-L414 HydrophobicContact CG1-CD1 3.82Å; I366-L414 HydrophobicContact CG1-CG 4.36Å; I366-M415 HydrophobicContact CD1-SD 3.76Å; I366-I418 HydrophobicContact CD1-CD1 3.48Å; I366-I418 VanDerWaalsContact CD1-CD1 3.48Å; I366-L464 HydrophobicContact CD1-CD1 3.89Å; I366-Q467 HydrophobicContact CG2-CB 4.43Å
367	T	62.5	Low	54.3	Low	51 Å²	51	56.5 Å²	56.5	31%	0.313	31%	0.306	S	S	.	.	H	α-helix	trans	-55.8	-37.1	-178.9	-44.5	0	0	0	0	112.2	V363 T364 Q365 Q467	V363-T367 PolarHBondContact O-N 3.11Å; V363-T367 PolarHBondContact O-OG1 3.33Å; T364-T367 WeakPolarHBondContact O-CB 3.37Å; T364-T367 PolarHBondContact O-N 2.97Å; T364-T367 PolarHBondContact O-OG1 2.66Å; Q365-T367 PolarHBondContact O-N 2.99Å; T367-Q467 PolarHBondContact OG1-OE1 3.38Å
368	Y	61.9	Low	52.1	Low	77 Å²	77	58.6 Å²	58.6	30%	0.302	33%	0.332	S	S	.	.	H	α-helix	trans	-84.3	-29.4	178.8	-57.4	-65.2	0	0	0	114	I312 N313 T364 Q365 I366 L370	I312-Y368 HydrophobicContact CD1-CD2 4.45Å; I312-Y368 HydrophobicContact CG2-CD1 3.53Å; I312-Y368 HydrophobicContact CG2-CD2 3.86Å; I312-Y368 HydrophobicContact CG2-CE1 3.84Å; I312-Y368 HydrophobicContact CG2-CE2 4.14Å; I312-Y368 HydrophobicContact CG2-CG 3.58Å; N313-Y368 PolarHBondContact ND2-OH 2.75Å; N313-Y368 WeakPolarHBondContact OD1-CE1 3.5Å; N313-Y368 VanDerWaalsContact OD1-CZ 3.3Å; N313-Y368 PolarHBondContact OD1-OH 3.31Å; T364-Y368 HydrophobicContact CG2-CE2 3.8Å; T364-Y368 WeakPolarHBondContact O-CD2 3.23Å; T364-Y368 WeakPolarHBondContact O-CE2 3.45Å; Q365-Y368 PolarHBondContact O-N 3.49Å; Q365-Y368 VanDerWaalsContact O-N 3.07Å; I366-Y368 PolarHBondContact O-N 3.48Å; Y368-L370 VanDerWaalsContact C-N 3.33Å
369	T	57.4	Low	49.8	Very low	5 Å²	5	65.8 Å²	65.8	3%	0.031	37%	0.371	C	S	.	.	H	α-helix	trans	-78.3	-20.8	-178	54.7	0	0	0	0	112.9	I325 Q365 I366 L410 V411 L414	I325-T369 HydrophobicContact CD1-CG2 4.05Å; Q365-T369 WeakPolarHBondContact O-CG2 3.47Å; Q365-T369 PolarHBondContact O-N 2.94Å; Q365-T369 PolarHBondContact O-OG1 2.7Å; I366-T369 WeakPolarHBondContact CA-OG1 3.39Å; I366-T369 PolarHBondContact O-N 3.11Å; I366-T369 VanDerWaalsContact O-N 3.09Å; I366-T369 PolarHBondContact O-OG1 3.33Å; T369-L410 HydrophobicContact CG2-CD2 3.36Å; T369-L410 HydrophobicContact CG2-CG 4Å; T369-V411 WeakPolarHBondContact OG1-CG2 3.37Å; T369-L414 HydrophobicContact CG2-CD1 4.09Å
370	L	52.4	Low	48.2	Very low	22 Å²	22	74.9 Å²	74.9	12%	0.115	41%	0.41	C	S	.	.	S	Bend	trans	-62.3	126.6	175.2	-76.3	161.9	0	0	0	110.4	I366 Y368 A372 L471	I366-L370 HydrophobicContact CG2-CD1 3.92Å; I366-L370 HydrophobicContact CG2-CG 4.29Å; I366-L370 WeakPolarHBondContact O-CG 3.24Å; I366-L370 PolarHBondContact O-N 3.5Å; I366-L370 VanDerWaalsContact O-N 3.09Å; Y368-L370 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 3.1Å; L370-L471 HydrophobicContact CD2-CD2 3.3Å; L370-L471 HydrophobicContact CD2-CG 3.56Å
371	P	42.7	Very low	46.1	Very low	38 Å²	38	80.5 Å²	80.5	25%	0.247	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-64.7	120.2	175.1	25	-30.2	0	0	0	109.6	Q373	P371-Q373 PolarHBondContact O-N 3.48Å
372	A	38.6	Very low	43.7	Very low	100 Å²	100	84.7 Å²	84.7	83%	0.826	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-61.8	117.2	172.4	0	0	0	0	0	109.4	L370	L370-A372 PolarHBondContact O-N 3.1Å
373	Q	33.8	Very low	41.7	Very low	127 Å²	127	93.3 Å²	93.3	59%	0.593	50%	0.503	S	S	*	.			trans	-118.1	129.9	164.3	-79.9	-165.6	-33.4	0	0	109.3	P371	P371-Q373 PolarHBondContact O-N 3.48Å
374	P	26.1	Very low	39.8	Very low	122 Å²	122	100.7 Å²	100.7	79%	0.792	54%	0.541	S	S	*	.			trans	-69	134.1	175.2	26.7	-30.3	0	0	0	110.3	F376	P374-F376 PolarHBondContact O-N 3.35Å
375	I	25.4	Very low	37.6	Very low	152 Å²	152	108.3 Å²	108.3	78%	0.779	57%	0.573	S	S	*	*			trans	-64.2	119.5	179.3	-61.3	165.9	0	0	0	108.4	L377	I375-L377 HydrophobicContact CG2-CD1 4.29Å; I375-L377 HydrophobicContact CG2-CG 4.38Å; I375-L377 PolarHBondContact O-N 3.09Å
376	F	22.6	Very low	35.6	Very low	188 Å²	188	114 Å²	114	83%	0.825	61%	0.607	S	S	*	*			trans	-69.9	107.3	-179.3	-122.1	-93.1	0	0	0	110.3	P374	P374-F376 PolarHBondContact O-N 3.35Å
377	L	24.4	Very low	34	Very low	162 Å²	162	120.6 Å²	120.6	85%	0.848	64%	0.638	S	S	*	*			trans	-133.2	95.4	172.4	-79	162.5	0	0	0	109	I375	I375-L377 HydrophobicContact CG2-CD1 4.29Å; I375-L377 HydrophobicContact CG2-CG 4.38Å; I375-L377 PolarHBondContact O-N 3.09Å
378	G	25.8	Very low	32.2	Very low	69 Å²	69	125 Å²	125	71%	0.711	66%	0.659	S	S	*	*	S	Bend	trans	123.2	139.4	159.7	0	0	0	0	0	118
379	N	26.9	Very low	30.4	Very low	152 Å²	152	129.2 Å²	129.2	81%	0.813	68%	0.681	S	S	*	*			trans	-16.2	131	-178.2	-78.5	-18.2	0	0	0	121	E381	N379-E381 VanDerWaalsContact C-N 3.34Å; N379-E381 PolarHBondContact O-N 3Å
380	K	29.5	Very low	28.8	Very low	193 Å²	193	135 Å²	135	84%	0.839	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-9.3	-174.3	-75.3	-176.3	174.2	179.4	0	117.5
381	E	29.7	Very low	27.5	Very low	191 Å²	191	143 Å²	143	89%	0.893	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-15.5	-169.1	-74.7	-176.2	167.1	0	0	114.8	N379	N379-E381 VanDerWaalsContact C-N 3.34Å; N379-E381 PolarHBondContact O-N 3Å
382	T	26	Very low	26.7	Very low	106 Å²	106	148.5 Å²	148.5	65%	0.65	78%	0.776	S	S	*	*	S	Bend	trans	-129.1	85.8	176.5	52.1	0	0	0	0	109.6
383	Q	27.5	Very low	26	Very low	180 Å²	180	152.6 Å²	152.6	84%	0.841	78%	0.775	S	S	*	*			trans	172	102.1	136.4	-91.1	152.5	28.8	0	0	109.8	F385	Q383-F385 PolarHBondContact O-N 3.45Å
384	I	25	Very low	25.7	Very low	157 Å²	157	152.7 Å²	152.7	81%	0.805	79%	0.786	S	S	*	*			trans	-44.6	129.7	154	-67.4	163.3	0	0	0	107.8	V386	I384-V386 PolarHBondContact O-N 3.03Å
385	F	25.2	Very low	25.7	Very low	183 Å²	183	153 Å²	153	80%	0.803	79%	0.786	S	S	*	*			trans	-32.5	95.7	173.2	-84.7	-107	0	0	0	112	Q383 E387	Q383-F385 PolarHBondContact O-N 3.45Å; F385-E387 HydrophobicContact CD1-CG 4.29Å; F385-E387 PolarHBondContact O-N 2.63Å
386	V	23.7	Very low	25.6	Very low	120 Å²	120	152.6 Å²	152.6	73%	0.727	79%	0.791	S	S	*	*			trans	-90.4	72.4	153.7	-172.1	0	0	0	0	104.7	I384 L388	I384-V386 PolarHBondContact O-N 3.03Å; V386-L388 PolarHBondContact O-N 3.23Å; V386-L388 VanDerWaalsContact O-N 3.1Å
387	E	26.6	Very low	25.8	Very low	137 Å²	137	146.6 Å²	146.6	64%	0.64	78%	0.782	S	S	*	*			trans	-52.5	118.1	146.3	-84	-177.8	162.7	0	0	104.5	F385 E389	F385-E387 HydrophobicContact CD1-CG 4.29Å; F385-E387 PolarHBondContact O-N 2.63Å; E387-E389 PolarHBondContact O-N 3.14Å
388	L	24.3	Very low	25.8	Very low	145 Å²	145	144 Å²	144	76%	0.759	78%	0.784	S	S	*	*			trans	-64.5	61.2	166.1	-81.5	140.1	0	0	0	108.3	V386 N390	V386-L388 PolarHBondContact O-N 3.23Å; V386-L388 VanDerWaalsContact O-N 3.1Å; L388-N390 PolarHBondContact O-N 3.25Å
389	E	24.2	Very low	26	Very low	165 Å²	165	149.4 Å²	149.4	77%	0.771	79%	0.791	S	S	*	*			trans	-65.1	80.1	145.6	-78.8	-165.6	150	0	0	105.5	E387 H391	E387-E389 PolarHBondContact O-N 3.14Å; E389-H391 PolarHBondContact O-N 3.27Å
390	N	25.1	Very low	26.4	Very low	127 Å²	127	145.5 Å²	145.5	68%	0.679	78%	0.776	S	S	*	*			trans	-53.4	117.7	159.2	-88.5	-29.4	0	0	0	106.7	L388 D392	L388-N390 PolarHBondContact O-N 3.25Å; N390-D392 VanDerWaalsContact C-N 3.27Å; N390-D392 PolarHBondContact O-N 3.05Å
391	H	25.1	Very low	26.6	Very low	190 Å²	190	145.9 Å²	145.9	88%	0.88	78%	0.777	S	S	*	*			trans	-41.9	86.4	167.2	-75.8	-73.1	0	0	0	112	E389	E389-H391 PolarHBondContact O-N 3.27Å
392	D	26.2	Very low	27.5	Very low	152 Å²	152	140.2 Å²	140.2	81%	0.813	75%	0.751	S	S	*	*			trans	-128.2	102.9	158.5	-85	-37.1	0	0	0	106.8	N390	N390-D392 VanDerWaalsContact C-N 3.27Å; N390-D392 PolarHBondContact O-N 3.05Å
393	K	23.5	Very low	28.6	Very low	187 Å²	187	138.4 Å²	138.4	81%	0.813	74%	0.74	S	S	*	*			trans	-38.2	137.8	-179.8	-72.5	171	174.4	175.1	0	111.1	T395	K393-T395 VanDerWaalsContact C-N 3.32Å; K393-T395 PolarHBondContact O-N 3.31Å; K393-T395 PolarHBondContact O-OG1 3.09Å
394	P	26.9	Very low	29.6	Very low	128 Å²	128	137 Å²	137	83%	0.831	73%	0.726	S	S	*	*			trans	-66.1	93	-174.5	28.8	-33.4	0	0	0	109	T396	P394-T396 PolarHBondContact O-N 2.72Å
395	T	25.4	Very low	30.5	Very low	129 Å²	129	132.4 Å²	132.4	79%	0.791	71%	0.708	S	S	*	*			trans	-78	89.6	165.8	-5.6	0	0	0	0	105.4	K393 G397	K393-T395 VanDerWaalsContact C-N 3.32Å; K393-T395 PolarHBondContact O-N 3.31Å; K393-T395 PolarHBondContact O-OG1 3.09Å; T395-G397 PolarHBondContact O-N 2.89Å
396	T	23.9	Very low	31.8	Very low	144 Å²	144	126.8 Å²	126.8	88%	0.883	69%	0.687	S	S	*	*			trans	-6.4	108.5	151.9	23.1	0	0	0	0	113.6	P394	P394-T396 PolarHBondContact O-N 2.72Å
397	G	26.2	Very low	33.2	Very low	62 Å²	62	125.1 Å²	125.1	64%	0.639	67%	0.667	S	S	*	*	S	Bend	trans	160.6	66.2	173.2	0	0	0	0	0	112.9	T395 Q399	T395-G397 PolarHBondContact O-N 2.89Å; G397-Q399 VanDerWaalsContact C-N 3.31Å; G397-Q399 PolarHBondContact O-N 3.07Å
398	A	26.3	Very low	34.4	Very low	107 Å²	107	121.8 Å²	121.8	88%	0.884	65%	0.653	S	S	*	*			trans	30.9	56.6	158.1	0	0	0	0	0	115.8	S400	A398-S400 VanDerWaalsContact C-N 3.33Å; A398-S400 PolarHBondContact O-N 2.95Å
399	Q	29.7	Very low	35.7	Very low	182 Å²	182	121.1 Å²	121.1	85%	0.85	64%	0.644	S	S	*	*			trans	-66.7	102.7	163.1	-73	-175	2.1	0	0	105.8	G397 K401	G397-Q399 VanDerWaalsContact C-N 3.31Å; G397-Q399 PolarHBondContact O-N 3.07Å; Q399-K401 PolarHBondContact O-N 2.97Å
400	S	34.2	Very low	37.2	Very low	71 Å²	71	113.4 Å²	113.4	50%	0.497	61%	0.608	S	S	.	*			trans	-42.4	117.1	174.5	54.5	0	0	0	0	108.2	A398 Q402	A398-S400 VanDerWaalsContact C-N 3.33Å; A398-S400 PolarHBondContact O-N 2.95Å; S400-Q402 PolarHBondContact O-N 3.13Å; S400-Q402 WeakPolarHBondContact OG-CG 3.38Å; S400-Q402 PolarHBondContact OG-NE2 2.93Å
401	K	34.4	Very low	38.5	Very low	201 Å²	201	107.5 Å²	107.5	87%	0.874	58%	0.576	S	S	*	*			trans	-58.9	80.8	167.3	-74.4	179.4	174.4	-178.9	0	107.3	Q399 T403	Q399-K401 PolarHBondContact O-N 2.97Å; K401-T403 PolarHBondContact O-N 3.27Å; K401-T403 VanDerWaalsContact O-N 3.1Å
402	Q	47.7	Very low	39.7	Very low	71 Å²	71	100.3 Å²	100.3	33%	0.332	54%	0.544	S	S	.	.			trans	-69.8	108.5	-179.6	-77.6	172	4.1	0	0	106.8	N320 S400	N320-Q402 PolarHBondContact ND2-NE2 2.82Å; N320-Q402 PolarHBondContact OD1-NE2 3.21Å; S400-Q402 PolarHBondContact O-N 3.13Å; S400-Q402 WeakPolarHBondContact OG-CG 3.38Å; S400-Q402 PolarHBondContact OG-NE2 2.93Å
403	T	50.2	Low	41	Very low	68 Å²	68	94.7 Å²	94.7	42%	0.417	51%	0.513	S	S	.	.			trans	-76.1	151.2	-170.5	64.6	0	0	0	0	109.7	K401 S405 D406 R407	K401-T403 PolarHBondContact O-N 3.27Å; K401-T403 VanDerWaalsContact O-N 3.1Å; T403-S405 PolarHBondContact O-N 2.85Å; T403-D406 PolarHBondContact N-OD2 2.9Å; T403-D406 PolarHBondContact O-N 2.73Å; T403-D406 VanDerWaalsContact OG1-CG 3.24Å; T403-D406 PolarHBondContact OG1-N 3.49Å; T403-D406 PolarHBondContact OG1-OD2 3.4Å; T403-R407 PolarHBondContact O-N 2.99Å
404	R	47.2	Very low	42.7	Very low	150 Å²	150	85.8 Å²	85.8	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-49.6	-31.4	169.4	-177.1	-179.7	176.7	178.9	0.5	111.9	M408	R404-M408 PolarHBondContact O-N 2.94Å; R404-M408 VanDerWaalsContact O-N 3.1Å
405	S	44.7	Very low	44	Very low	61 Å²	61	82 Å²	82	43%	0.427	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-45.5	174.5	-174.7	0	0	0	0	112.4	T403 R407 M408 K409	T403-S405 PolarHBondContact O-N 2.85Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact O-N 3.37Å; S405-M408 PolarHBondContact O-N 3.41Å; S405-K409 WeakPolarHBondContact O-CG 2.99Å; S405-K409 PolarHBondContact O-N 3.26Å
406	D	51.9	Low	45.3	Very low	65 Å²	65	80.6 Å²	80.6	35%	0.348	43%	0.429	S	S	.	.	H	α-helix	trans	-63.6	-39.6	-179.6	-58.5	-45.4	0	0	0	112.1	T403 L410	T403-D406 PolarHBondContact N-OD2 2.9Å; T403-D406 PolarHBondContact O-N 2.73Å; T403-D406 VanDerWaalsContact OG1-CG 3.24Å; T403-D406 PolarHBondContact OG1-N 3.49Å; T403-D406 PolarHBondContact OG1-OD2 3.4Å; D406-L410 PolarHBondContact O-N 2.69Å; D406-L410 VanDerWaalsContact O-N 3.08Å
407	R	53.2	Low	46.8	Very low	85 Å²	85	73.8 Å²	73.8	32%	0.321	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-42.9	174.4	-73.6	-175.1	-175.5	-167.7	3.6	111.8	I322 T403 S405 L410 V411	I322-R407 HydrophobicContact CD1-CG 3.48Å; I322-R407 VanDerWaalsContact CD1-CG 3.48Å; T403-R407 PolarHBondContact O-N 2.99Å; S405-R407 VanDerWaalsContact C-N 3.34Å; S405-R407 PolarHBondContact O-N 3.37Å; R407-L410 WeakPolarHBondContact O-CB 3.43Å; R407-L410 PolarHBondContact O-N 2.94Å; R407-V411 WeakPolarHBondContact O-CG2 3.24Å; R407-V411 PolarHBondContact O-N 3.46Å
408	M	51.5	Low	48.2	Very low	67 Å²	67	70.9 Å²	70.9	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-67.4	-42.3	179.5	-165.4	63.5	-175.6	0	0	111.8	R404 S405 L410 V411 I412 L471 C473	R404-M408 PolarHBondContact O-N 2.94Å; R404-M408 VanDerWaalsContact O-N 3.1Å; S405-M408 PolarHBondContact O-N 3.41Å; M408-L410 PolarHBondContact O-N 2.92Å; M408-V411 PolarHBondContact O-N 3.33Å; M408-V411 VanDerWaalsContact O-N 3.12Å; M408-I412 HydrophobicContact CG-CD1 4.3Å; M408-I412 WeakPolarHBondContact O-CG1 3.28Å; M408-I412 PolarHBondContact O-N 2.81Å; M408-L471 HydrophobicContact CE-CD2 4.25Å; M408-L471 HydrophobicContact SD-CD2 4.21Å; M408-C473 WeakPolarHBondContact CE-SG 3.27Å
409	K	51.6	Low	49.4	Very low	132 Å²	132	67.2 Å²	67.2	57%	0.574	32%	0.322	S	S	*	.	H	α-helix	trans	-55.3	-40.1	171.9	-75	176.5	-179.1	176.2	0	111.6	S405 I412 H413	S405-K409 WeakPolarHBondContact O-CG 2.99Å; S405-K409 PolarHBondContact O-N 3.26Å; K409-I412 PolarHBondContact O-N 3.47Å; K409-H413 PolarHBondContact O-N 2.63Å
410	L	56.2	Low	50.6	Low	2 Å²	2	60.4 Å²	60.4	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-43.5	176.3	-171.2	61.2	0	0	0	112.5	I322 I325 N326 L329 T369 D406 R407 M408 I412 H413 L414	I322-L410 HydrophobicContact CB-CD2 4.22Å; I322-L410 HydrophobicContact CG1-CD2 4.42Å; I322-L410 HydrophobicContact CG2-CD2 3.74Å; I325-L410 HydrophobicContact CB-CD1 4.42Å; I325-L410 HydrophobicContact CB-CD2 4.02Å; I325-L410 HydrophobicContact CD1-CD2 4.41Å; I325-L410 HydrophobicContact CG2-CD1 3.95Å; I325-L410 HydrophobicContact CG2-CD2 3.96Å; I325-L410 HydrophobicContact CG2-CG 4.26Å; N326-L410 HydrophobicContact CB-CD1 3.74Å; L329-L410 HydrophobicContact CD1-CD1 3.56Å; T369-L410 HydrophobicContact CG2-CD2 3.36Å; T369-L410 HydrophobicContact CG2-CG 4Å; D406-L410 PolarHBondContact O-N 2.69Å; D406-L410 VanDerWaalsContact O-N 3.08Å; R407-L410 WeakPolarHBondContact O-CB 3.43Å; R407-L410 PolarHBondContact O-N 2.94Å; M408-L410 PolarHBondContact O-N 2.92Å; L410-I412 VanDerWaalsContact C-N 3.31Å; L410-I412 PolarHBondContact O-N 2.77Å; L410-H413 PolarHBondContact O-N 3.32Å; L410-L414 HydrophobicContact CG-CD1 4.39Å; L410-L414 WeakPolarHBondContact O-CG 3.32Å; L410-L414 PolarHBondContact O-N 3.37Å
411	V	53.4	Low	51.9	Low	3 Å²	3	57 Å²	57	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-60.1	-42.1	174.5	174	0	0	0	0	111	T369 R407 M408 L414 M415 L471	T369-V411 WeakPolarHBondContact OG1-CG2 3.37Å; R407-V411 WeakPolarHBondContact O-CG2 3.24Å; R407-V411 PolarHBondContact O-N 3.46Å; M408-V411 PolarHBondContact O-N 3.33Å; M408-V411 VanDerWaalsContact O-N 3.12Å; V411-L414 WeakPolarHBondContact O-CB 3.43Å; V411-L414 PolarHBondContact O-N 3.45Å; V411-M415 HydrophobicContact CG1-CG 4.48Å; V411-M415 WeakPolarHBondContact O-CB 3.39Å; V411-M415 WeakPolarHBondContact O-CG 3.17Å; V411-M415 PolarHBondContact O-N 3.17Å; V411-L471 HydrophobicContact CG1-CD1 4.39Å; V411-L471 HydrophobicContact CG1-CD2 4.26Å
412	I	49.8	Very low	53	Low	40 Å²	40	48.8 Å²	48.8	21%	0.205	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-45.3	176.4	-67.1	165.4	0	0	0	110.6	M264 M408 K409 L410 L414 M415 K416	M264-I412 HydrophobicContact CE-CG2 4.2Å; M408-I412 HydrophobicContact CG-CD1 4.3Å; M408-I412 WeakPolarHBondContact O-CG1 3.28Å; M408-I412 PolarHBondContact O-N 2.81Å; K409-I412 PolarHBondContact O-N 3.47Å; L410-I412 VanDerWaalsContact C-N 3.31Å; L410-I412 PolarHBondContact O-N 2.77Å; I412-L414 PolarHBondContact O-N 3.31Å; I412-M415 PolarHBondContact O-N 2.95Å; I412-K416 PolarHBondContact O-N 2.91Å
413	H	53.3	Low	53.2	Low	33 Å²	33	47.1 Å²	47.1	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-42.8	177.5	-165.8	-176.9	0	0	0	112	N326 L329 K409 L410 M415 K416 I417	N326-H413 PolarHBondContact OD1-ND1 2.92Å; L329-H413 HydrophobicContact CD1-CB 4.2Å; K409-H413 PolarHBondContact O-N 2.63Å; L410-H413 PolarHBondContact O-N 3.32Å; H413-M415 PolarHBondContact O-N 2.76Å; H413-K416 PolarHBondContact O-N 3.47Å; H413-I417 PolarHBondContact O-N 3.41Å
414	L	58.1	Low	53.6	Low	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-48.1	173.7	-76	164.3	0	0	0	111.3	L329 L362 Q365 I366 T369 L410 V411 I412 K416 I417 I418	L329-L414 HydrophobicContact CD1-CD2 3.68Å; L329-L414 HydrophobicContact CD1-CG 3.67Å; L329-L414 HydrophobicContact CD2-CD2 3.48Å; L329-L414 VanDerWaalsContact CD2-CD2 3.48Å; L329-L414 HydrophobicContact CD2-CG 4.34Å; L329-L414 HydrophobicContact CG-CD2 4.15Å; L362-L414 HydrophobicContact CB-CD2 4.37Å; L362-L414 HydrophobicContact CD2-CD2 3.68Å; Q365-L414 HydrophobicContact CB-CD1 4.32Å; Q365-L414 HydrophobicContact CB-CD2 4.11Å; I366-L414 HydrophobicContact CD1-CB 4.33Å; I366-L414 HydrophobicContact CG1-CB 3.92Å; I366-L414 HydrophobicContact CG1-CD1 3.82Å; I366-L414 HydrophobicContact CG1-CG 4.36Å; T369-L414 HydrophobicContact CG2-CD1 4.09Å; L410-L414 HydrophobicContact CG-CD1 4.39Å; L410-L414 WeakPolarHBondContact O-CG 3.32Å; L410-L414 PolarHBondContact O-N 3.37Å; V411-L414 WeakPolarHBondContact O-CB 3.43Å; V411-L414 PolarHBondContact O-N 3.45Å; I412-L414 PolarHBondContact O-N 3.31Å; L414-K416 PolarHBondContact O-N 3.1Å; L414-I417 PolarHBondContact O-N 3.31Å; L414-I418 WeakPolarHBondContact O-CG1 3.28Å; L414-I418 PolarHBondContact O-N 3.29Å
415	M	55.6	Low	54.1	Low	49 Å²	49	38 Å²	38	24%	0.241	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-39.1	-179.2	-75.4	-56.4	-62.2	0	0	113	I366 V411 I412 H413 I417 I418 N419 L464 L468	I366-M415 HydrophobicContact CD1-SD 3.76Å; V411-M415 HydrophobicContact CG1-CG 4.48Å; V411-M415 WeakPolarHBondContact O-CB 3.39Å; V411-M415 WeakPolarHBondContact O-CG 3.17Å; V411-M415 PolarHBondContact O-N 3.17Å; I412-M415 PolarHBondContact O-N 2.95Å; H413-M415 PolarHBondContact O-N 2.76Å; M415-I417 VanDerWaalsContact C-N 3.33Å; M415-I417 PolarHBondContact O-N 3.37Å; M415-I418 PolarHBondContact O-N 3.27Å; M415-I418 HydrophobicContact SD-CD1 4.49Å; M415-N419 WeakPolarHBondContact O-CB 3.5Å; M415-N419 PolarHBondContact O-N 2.86Å; M415-L464 HydrophobicContact SD-CD1 3.97Å; M415-L468 HydrophobicContact CE-CD1 3.82Å; M415-L468 HydrophobicContact CE-CD2 4Å; M415-L468 HydrophobicContact CE-CG 4.5Å; M415-L468 HydrophobicContact SD-CD1 4.41Å; M415-L468 HydrophobicContact SD-CD2 3.77Å
416	K	53	Low	54.5	Low	100 Å²	100	38 Å²	38	44%	0.435	18%	0.182	S	C	.	.	H	α-helix	trans	-58	-46.4	175	-173.6	-173.9	173.7	-160.4	0	111.5	M264 I412 H413 L414 N419 L420	M264-K416 HydrophobicContact CG-CG 4.48Å; M264-K416 HydrophobicContact SD-CB 3.77Å; M264-K416 HydrophobicContact SD-CG 4Å; I412-K416 PolarHBondContact O-N 2.91Å; H413-K416 PolarHBondContact O-N 3.47Å; L414-K416 PolarHBondContact O-N 3.1Å; K416-N419 PolarHBondContact O-N 3.5Å; K416-L420 PolarHBondContact O-N 2.72Å
417	I	53.9	Low	54.5	Low	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-43.9	180	-68.3	169.7	0	0	0	110.7	L329 L332 D333 L336 L362 H413 L414 M415 N419 L420 L421	L329-I417 HydrophobicContact CB-CD1 3.65Å; L329-I417 HydrophobicContact CD2-CD1 3.67Å; L329-I417 HydrophobicContact CG-CD1 4.17Å; L329-I417 WeakPolarHBondContact O-CD1 3.26Å; L332-I417 HydrophobicContact CD2-CG2 3.67Å; L332-I417 HydrophobicContact CG-CG2 4.31Å; D333-I417 HydrophobicContact CB-CD1 4.35Å; L336-I417 HydrophobicContact CD1-CG2 3.78Å; L362-I417 HydrophobicContact CD1-CB 4.41Å; L362-I417 HydrophobicContact CD1-CG2 3.6Å; H413-I417 PolarHBondContact O-N 3.41Å; L414-I417 PolarHBondContact O-N 3.31Å; M415-I417 VanDerWaalsContact C-N 3.33Å; M415-I417 PolarHBondContact O-N 3.37Å; I417-N419 VanDerWaalsContact C-N 3.26Å; I417-N419 PolarHBondContact O-N 3.45Å; I417-L420 WeakPolarHBondContact O-CB 3.42Å; I417-L420 PolarHBondContact O-N 2.88Å; I417-L420 VanDerWaalsContact O-N 3.17Å; I417-L421 HydrophobicContact CG2-CD1 3.8Å; I417-L421 HydrophobicContact CG2-CG 4.28Å; I417-L421 WeakPolarHBondContact O-CG 3.34Å; I417-L421 PolarHBondContact O-N 2.9Å
418	I	56.9	Low	54.5	Low	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-57.8	-41.5	175.9	-69.4	175.5	0	0	0	110.9	M359 L362 V363 I366 L414 M415 L421 L422 L464	M359-I418 HydrophobicContact CE-CG2 4Å; L362-I418 HydrophobicContact CB-CD1 3.96Å; L362-I418 HydrophobicContact CB-CG1 3.9Å; L362-I418 HydrophobicContact CD1-CG1 3.94Å; V363-I418 HydrophobicContact CG2-CD1 4.1Å; I366-I418 HydrophobicContact CD1-CD1 3.48Å; I366-I418 VanDerWaalsContact CD1-CD1 3.48Å; L414-I418 WeakPolarHBondContact O-CG1 3.28Å; L414-I418 PolarHBondContact O-N 3.29Å; M415-I418 PolarHBondContact O-N 3.27Å; M415-I418 HydrophobicContact SD-CD1 4.49Å; I418-L421 PolarHBondContact O-N 3.47Å; I418-L422 HydrophobicContact CG2-CD1 4.12Å; I418-L422 WeakPolarHBondContact O-CB 3.5Å; I418-L422 WeakPolarHBondContact O-CG 3.46Å; I418-L422 PolarHBondContact O-N 3.44Å; I418-L464 HydrophobicContact CD1-CD1 3.81Å; I418-L464 HydrophobicContact CG2-CD1 4.34Å; I418-L464 HydrophobicContact CG2-CD2 4.08Å
419	N	51.6	Low	54.5	Low	30 Å²	30	32.8 Å²	32.8	16%	0.16	16%	0.163	C	C	.	.	H	α-helix	trans	-66.2	-39.8	178.1	-166.6	35.2	0	0	0	112.7	M264 M415 K416 I417 L421 L422 S423	M264-N419 PolarHBondContact O-ND2 2.93Å; M415-N419 WeakPolarHBondContact O-CB 3.5Å; M415-N419 PolarHBondContact O-N 2.86Å; K416-N419 PolarHBondContact O-N 3.5Å; I417-N419 VanDerWaalsContact C-N 3.26Å; I417-N419 PolarHBondContact O-N 3.45Å; N419-L421 VanDerWaalsContact C-N 3.34Å; N419-L422 PolarHBondContact O-N 3.36Å; N419-S423 WeakPolarHBondContact O-CB 3.48Å; N419-S423 PolarHBondContact O-N 3.37Å; N419-S423 PolarHBondContact O-OG 2.82Å
420	L	54.6	Low	54.1	Low	39 Å²	39	29.1 Å²	29.1	20%	0.204	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-44.7	173.9	-173.8	70.9	0	0	0	111.2	L336 F340 K416 I417 S423 Y424	L336-L420 HydrophobicContact CB-CD2 3.98Å; L336-L420 HydrophobicContact CD1-CD2 4.21Å; F340-L420 HydrophobicContact CD2-CD1 4.46Å; F340-L420 HydrophobicContact CD2-CD2 4.25Å; F340-L420 HydrophobicContact CD2-CG 4.06Å; F340-L420 HydrophobicContact CE2-CD2 4.29Å; F340-L420 HydrophobicContact CE2-CG 4.01Å; K416-L420 PolarHBondContact O-N 2.72Å; I417-L420 WeakPolarHBondContact O-CB 3.42Å; I417-L420 PolarHBondContact O-N 2.88Å; I417-L420 VanDerWaalsContact O-N 3.17Å; L420-S423 PolarHBondContact O-N 2.8Å; L420-Y424 PolarHBondContact O-N 3.45Å; L420-Y424 VanDerWaalsContact O-N 3.12Å
421	L	60.6	Low	53.4	Low	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-43.4	178.1	-64	165.4	0	0	0	112	L336 F340 V355 V358 M359 L362 I417 I418 N419 Y424 I425	L336-L421 HydrophobicContact CD1-CD2 3.67Å; L336-L421 HydrophobicContact CD1-CG 4.1Å; L336-L421 HydrophobicContact CD2-CD2 3.42Å; L336-L421 VanDerWaalsContact CD2-CD2 3.42Å; L336-L421 HydrophobicContact CG-CD2 4.22Å; F340-L421 HydrophobicContact CE2-CD2 4.46Å; F340-L421 HydrophobicContact CZ-CD2 4.15Å; V355-L421 HydrophobicContact CG1-CB 3.97Å; V355-L421 HydrophobicContact CG1-CD2 3.45Å; V355-L421 VanDerWaalsContact CG1-CD2 3.45Å; V355-L421 HydrophobicContact CG1-CG 4.29Å; V358-L421 HydrophobicContact CG1-CD1 3.75Å; V358-L421 HydrophobicContact CG1-CD2 4.43Å; M359-L421 HydrophobicContact CG-CB 3.68Å; M359-L421 HydrophobicContact CG-CD1 3.58Å; M359-L421 HydrophobicContact CG-CG 4.22Å; M359-L421 HydrophobicContact SD-CB 3.83Å; L362-L421 HydrophobicContact CD1-CD1 3.51Å; I417-L421 HydrophobicContact CG2-CD1 3.8Å; I417-L421 HydrophobicContact CG2-CG 4.28Å; I417-L421 WeakPolarHBondContact O-CG 3.34Å; I417-L421 PolarHBondContact O-N 2.9Å; I418-L421 PolarHBondContact O-N 3.47Å; N419-L421 VanDerWaalsContact C-N 3.34Å; L421-Y424 PolarHBondContact O-N 3.24Å; L421-I425 PolarHBondContact O-N 3.16Å
422	L	57.8	Low	52.7	Low	28 Å²	28	32 Å²	32	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-48.3	174.5	-81.9	170.3	0	0	0	111.4	M359 I418 N419 Y424 I425 L426 L457 I461	M359-L422 HydrophobicContact CE-CD1 4.26Å; M359-L422 HydrophobicContact CE-CD2 3.49Å; M359-L422 VanDerWaalsContact CE-CD2 3.49Å; M359-L422 HydrophobicContact CE-CG 3.42Å; M359-L422 VanDerWaalsContact CE-CG 3.42Å; I418-L422 HydrophobicContact CG2-CD1 4.12Å; I418-L422 WeakPolarHBondContact O-CB 3.5Å; I418-L422 WeakPolarHBondContact O-CG 3.46Å; I418-L422 PolarHBondContact O-N 3.44Å; N419-L422 PolarHBondContact O-N 3.36Å; L422-Y424 PolarHBondContact O-N 3.22Å; L422-I425 PolarHBondContact O-N 2.81Å; L422-L426 HydrophobicContact CB-CD1 4.47Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.28Å; L422-L426 WeakPolarHBondContact O-CG 3.5Å; L422-L426 PolarHBondContact O-N 3.04Å; L422-L457 HydrophobicContact CD2-CD1 4.15Å; L422-I461 HydrophobicContact CD2-CD1 4.25Å; L422-I461 HydrophobicContact CD2-CG1 4.26Å
423	S	52.8	Low	52.2	Low	36 Å²	36	30.8 Å²	30.8	25%	0.252	16%	0.162	S	C	.	.	H	α-helix	trans	-58.5	-39.2	-179.9	-61	0	0	0	0	111.6	N419 L420 T427	N419-S423 WeakPolarHBondContact O-CB 3.48Å; N419-S423 PolarHBondContact O-N 3.37Å; N419-S423 PolarHBondContact O-OG 2.82Å; L420-S423 PolarHBondContact O-N 2.8Å; S423-T427 PolarHBondContact O-N 3.31Å; S423-T427 PolarHBondContact O-OG1 2.89Å
424	Y	57.7	Low	51.2	Low	25 Å²	25	36.3 Å²	36.3	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-53.8	175.4	-175.6	-101.9	0	0	0	112.5	F340 L351 V355 L420 L421 L422 L426 T427 I428	F340-Y424 HydrophobicContact CB-CD2 4.26Å; F340-Y424 HydrophobicContact CB-CE2 4.45Å; F340-Y424 HydrophobicContact CD1-CD1 4.02Å; F340-Y424 AromaticContact CD1-CD2 3.3Å; F340-Y424 HydrophobicContact CD1-CD2 3.3Å; F340-Y424 HydrophobicContact CD1-CE1 4.02Å; F340-Y424 AromaticContact CD1-CE2 3.32Å; F340-Y424 HydrophobicContact CD1-CE2 3.32Å; F340-Y424 AromaticContact CD1-CG 3.67Å; F340-Y424 HydrophobicContact CD1-CG 3.67Å; F340-Y424 AromaticContact CD1-CZ 3.7Å; F340-Y424 HydrophobicContact CD2-CD2 4.13Å; F340-Y424 HydrophobicContact CD2-CG 4.24Å; F340-Y424 AromaticContact CE1-CD1 3.31Å; F340-Y424 HydrophobicContact CE1-CD1 3.31Å; F340-Y424 AromaticContact CE1-CD2 3.51Å; F340-Y424 HydrophobicContact CE1-CD2 3.51Å; F340-Y424 AromaticContact CE1-CE1 3.48Å; F340-Y424 HydrophobicContact CE1-CE1 3.48Å; F340-Y424 VanDerWaalsContact CE1-CE1 3.48Å; F340-Y424 AromaticContact CE1-CE2 3.68Å; F340-Y424 HydrophobicContact CE1-CE2 3.68Å; F340-Y424 AromaticContact CE1-CG 3.32Å; F340-Y424 HydrophobicContact CE1-CG 3.32Å; F340-Y424 AromaticContact CE1-CZ 3.67Å; F340-Y424 HydrophobicContact CE2-CD1 4.49Å; F340-Y424 HydrophobicContact CE2-CD2 4.28Å; F340-Y424 AromaticContact CE2-CG 3.92Å; F340-Y424 HydrophobicContact CE2-CG 3.92Å; F340-Y424 AromaticContact CG-CD2 3.64Å; F340-Y424 HydrophobicContact CG-CD2 3.64Å; F340-Y424 HydrophobicContact CG-CE2 4.01Å; F340-Y424 HydrophobicContact CG-CG 4.12Å; F340-Y424 AromaticContact CZ-CD1 3.58Å; F340-Y424 HydrophobicContact CZ-CD1 3.58Å; F340-Y424 AromaticContact CZ-CD2 3.98Å; F340-Y424 HydrophobicContact CZ-CD2 3.98Å; F340-Y424 HydrophobicContact CZ-CE1 4.21Å; F340-Y424 AromaticContact CZ-CG 3.44Å; F340-Y424 HydrophobicContact CZ-CG 3.44Å; F340-Y424 VanDerWaalsContact CZ-CG 3.44Å; L351-Y424 HydrophobicContact CD2-CE1 4.03Å; L351-Y424 WeakPolarHBondContact CD2-OH 3.41Å; L351-Y424 HydrophobicContact CG-CE1 4.37Å; V355-Y424 HydrophobicContact CG2-CD1 4.37Å; V355-Y424 HydrophobicContact CG2-CE1 4.4Å; L420-Y424 PolarHBondContact O-N 3.45Å; L420-Y424 VanDerWaalsContact O-N 3.12Å; L421-Y424 PolarHBondContact O-N 3.24Å; L422-Y424 PolarHBondContact O-N 3.22Å; Y424-L426 PolarHBondContact O-N 2.94Å; Y424-T427 PolarHBondContact O-N 3.33Å; Y424-I428 HydrophobicContact CD1-CD1 3.97Å; Y424-I428 HydrophobicContact CE1-CD1 3.56Å; Y424-I428 PolarHBondContact O-N 3.3Å
425	I	58.1	Low	49.9	Very low	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-40.7	-176.8	-73.5	161	0	0	0	112.1	V355 I356 M359 L421 L422 T427 I428 F429 L457	V355-I425 HydrophobicContact CB-CD1 3.79Å; V355-I425 HydrophobicContact CB-CG1 4.05Å; V355-I425 HydrophobicContact CG1-CD1 3.24Å; V355-I425 HydrophobicContact CG1-CG1 3.57Å; I356-I425 HydrophobicContact CG1-CD1 3.6Å; M359-I425 HydrophobicContact SD-CD1 3.61Å; L421-I425 PolarHBondContact O-N 3.16Å; L422-I425 PolarHBondContact O-N 2.81Å; I425-T427 VanDerWaalsContact C-N 3.26Å; I425-T427 PolarHBondContact O-N 3.46Å; I425-I428 WeakPolarHBondContact O-CB 3.38Å; I425-I428 PolarHBondContact O-N 2.88Å; I425-I428 VanDerWaalsContact O-N 3.1Å; I425-F429 HydrophobicContact CG2-CD2 3.62Å; I425-F429 HydrophobicContact CG2-CE2 3.32Å; I425-F429 HydrophobicContact CG2-CZ 4.37Å; I425-F429 WeakPolarHBondContact O-CD2 3.38Å; I425-F429 PolarHBondContact O-N 3.36Å; I425-L457 HydrophobicContact CG2-CD2 3.79Å
426	L	53.2	Low	48.7	Very low	61 Å²	61	39.8 Å²	39.8	32%	0.319	20%	0.201	S	C	.	.	H	α-helix	trans	-65.4	-33.2	-179.4	-69.5	170.4	0	0	0	111.7	L422 Y424 I428 F429 T430	L422-L426 HydrophobicContact CB-CD1 4.47Å; L422-L426 VanDerWaalsContact O-CB 3.31Å; L422-L426 WeakPolarHBondContact O-CB 3.28Å; L422-L426 WeakPolarHBondContact O-CG 3.5Å; L422-L426 PolarHBondContact O-N 3.04Å; Y424-L426 PolarHBondContact O-N 2.94Å; L426-I428 VanDerWaalsContact C-N 3.29Å; L426-I428 PolarHBondContact O-N 3.48Å; L426-F429 PolarHBondContact O-N 2.86Å; L426-T430 WeakPolarHBondContact O-CG2 3.02Å; L426-T430 PolarHBondContact O-N 3.45Å; L426-T430 PolarHBondContact O-OG1 2.99Å
427	T	51.1	Low	47.6	Very low	57 Å²	57	40 Å²	40	35%	0.35	21%	0.207	S	C	.	.	H	α-helix	trans	-64.7	-35.6	174.1	-53.5	0	0	0	0	111.4	L345 S423 Y424 I425 T430 Q431	L345-T427 HydrophobicContact CD2-CG2 3.75Å; S423-T427 PolarHBondContact O-N 3.31Å; S423-T427 PolarHBondContact O-OG1 2.89Å; Y424-T427 PolarHBondContact O-N 3.33Å; I425-T427 VanDerWaalsContact C-N 3.26Å; I425-T427 PolarHBondContact O-N 3.46Å; T427-T430 WeakPolarHBondContact CA-OG1 3.28Å; T427-T430 PolarHBondContact O-OG1 3.2Å; T427-Q431 HydrophobicContact CG2-CG 4.48Å; T427-Q431 WeakPolarHBondContact O-CB 3.41Å; T427-Q431 WeakPolarHBondContact O-CG 3.33Å; T427-Q431 PolarHBondContact O-N 2.8Å
428	I	53.3	Low	46.5	Very low	29 Å²	29	46.9 Å²	46.9	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-44.3	175.3	-60.8	174.4	0	0	0	110.9	L345 P352 Y424 I425 L426 S432	L345-I428 HydrophobicContact CD2-CG1 4.07Å; P352-I428 HydrophobicContact CG-CD1 4.02Å; P352-I428 HydrophobicContact CG-CG2 4.44Å; Y424-I428 HydrophobicContact CD1-CD1 3.97Å; Y424-I428 HydrophobicContact CE1-CD1 3.56Å; Y424-I428 PolarHBondContact O-N 3.3Å; I425-I428 WeakPolarHBondContact O-CB 3.38Å; I425-I428 PolarHBondContact O-N 2.88Å; I425-I428 VanDerWaalsContact O-N 3.1Å; L426-I428 VanDerWaalsContact C-N 3.29Å; L426-I428 PolarHBondContact O-N 3.48Å; I428-S432 WeakPolarHBondContact O-CB 3.36Å; I428-S432 PolarHBondContact O-N 2.86Å; I428-S432 PolarHBondContact O-OG 2.88Å
429	F	51.6	Low	45.3	Very low	22 Å²	22	53.3 Å²	53.3	10%	0.096	28%	0.277	C	S	.	.	H	α-helix	trans	-71.7	-33.9	-179.9	-71.2	-53.3	0	0	0	113.5	I425 L426 S432 N433 E450 I453 K454 L457	I425-F429 HydrophobicContact CG2-CD2 3.62Å; I425-F429 HydrophobicContact CG2-CE2 3.32Å; I425-F429 HydrophobicContact CG2-CZ 4.37Å; I425-F429 WeakPolarHBondContact O-CD2 3.38Å; I425-F429 PolarHBondContact O-N 3.36Å; L426-F429 PolarHBondContact O-N 2.86Å; F429-S432 VanDerWaalsContact CA-OG 3.31Å; F429-S432 WeakPolarHBondContact CA-OG 3.27Å; F429-S432 PolarHBondContact O-OG 2.86Å; F429-N433 WeakPolarHBondContact O-CB 3.31Å; F429-N433 VanDerWaalsContact O-CG 3.3Å; F429-N433 PolarHBondContact O-N 3.43Å; F429-N433 PolarHBondContact O-ND2 2.96Å; F429-E450 HydrophobicContact CD1-CG 4.32Å; F429-E450 HydrophobicContact CE1-CG 3.84Å; F429-I453 HydrophobicContact CE1-CG2 4.38Å; F429-I453 HydrophobicContact CZ-CB 4.5Å; F429-I453 HydrophobicContact CZ-CG2 3.65Å; F429-K454 HydrophobicContact CD1-CD 4.36Å; F429-K454 HydrophobicContact CD1-CG 4.08Å; F429-K454 HydrophobicContact CE1-CD 4.18Å; F429-K454 HydrophobicContact CE1-CG 3.53Å; F429-K454 HydrophobicContact CE2-CG 4.28Å; F429-K454 HydrophobicContact CZ-CG 3.62Å; F429-L457 HydrophobicContact CD2-CD2 4.31Å; F429-L457 HydrophobicContact CE2-CD2 3.84Å
430	T	43.7	Very low	44.2	Very low	55 Å²	55	58.2 Å²	58.2	34%	0.337	30%	0.303	S	S	.	.	H	α-helix	trans	-71.4	-38.3	175.7	49.2	0	0	0	0	112.2	L426 T427 R434	L426-T430 WeakPolarHBondContact O-CG2 3.02Å; L426-T430 PolarHBondContact O-N 3.45Å; L426-T430 PolarHBondContact O-OG1 2.99Å; T427-T430 WeakPolarHBondContact CA-OG1 3.28Å; T427-T430 PolarHBondContact O-OG1 3.2Å; T430-R434 WeakPolarHBondContact O-CG 3.43Å; T430-R434 PolarHBondContact O-N 3.44Å; T430-R434 VanDerWaalsContact O-N 3.09Å
431	Q	41.6	Very low	43.2	Very low	38 Å²	38	65.4 Å²	65.4	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-74.4	-40.6	178.3	-73.4	-176.4	5.6	0	0	113.7	L345 T427 N433 R434 N435	L345-Q431 VanDerWaalsContact CD1-OE1 3.27Å; T427-Q431 HydrophobicContact CG2-CG 4.48Å; T427-Q431 WeakPolarHBondContact O-CB 3.41Å; T427-Q431 WeakPolarHBondContact O-CG 3.33Å; T427-Q431 PolarHBondContact O-N 2.8Å; Q431-N433 VanDerWaalsContact C-N 3.27Å; Q431-N433 PolarHBondContact O-N 3.45Å; Q431-R434 PolarHBondContact O-N 3.42Å; Q431-R434 VanDerWaalsContact O-N 3.09Å; Q431-N435 PolarHBondContact O-N 2.94Å
432	S	39.2	Very low	41.8	Very low	28 Å²	28	72.7 Å²	72.7	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-54.9	-46.1	172.4	45.2	0	0	0	0	111	I428 F429 R434 N435 L436	I428-S432 WeakPolarHBondContact O-CB 3.36Å; I428-S432 PolarHBondContact O-N 2.86Å; I428-S432 PolarHBondContact O-OG 2.88Å; F429-S432 VanDerWaalsContact CA-OG 3.31Å; F429-S432 WeakPolarHBondContact CA-OG 3.27Å; F429-S432 PolarHBondContact O-OG 2.86Å; S432-R434 PolarHBondContact O-N 3.49Å; S432-N435 PolarHBondContact O-N 3.27Å; S432-L436 WeakPolarHBondContact O-CB 3.49Å; S432-L436 WeakPolarHBondContact O-CD1 3.39Å; S432-L436 PolarHBondContact O-N 2.91Å
433	N	37.8	Very low	40.3	Very low	14 Å²	14	77.6 Å²	77.6	8%	0.075	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-40.2	174	-75.6	-18.5	0	0	0	113.3	L171 F429 Q431 L436 N437	L171-N433 PolarHBondContact O-ND2 3.37Å; F429-N433 WeakPolarHBondContact O-CB 3.31Å; F429-N433 VanDerWaalsContact O-CG 3.3Å; F429-N433 PolarHBondContact O-N 3.43Å; F429-N433 PolarHBondContact O-ND2 2.96Å; Q431-N433 VanDerWaalsContact C-N 3.27Å; Q431-N433 PolarHBondContact O-N 3.45Å; N433-L436 PolarHBondContact O-N 2.95Å; N433-N437 PolarHBondContact O-N 3.41Å
434	R	32.1	Very low	39.2	Very low	149 Å²	149	80.5 Å²	80.5	56%	0.562	41%	0.405	S	S	*	.	H	α-helix	trans	-65	-42.9	177.4	-79.4	-176.3	-178.5	177.9	2.2	112.5	T430 Q431 S432 L436 N437 L438	T430-R434 WeakPolarHBondContact O-CG 3.43Å; T430-R434 PolarHBondContact O-N 3.44Å; T430-R434 VanDerWaalsContact O-N 3.09Å; Q431-R434 PolarHBondContact O-N 3.42Å; Q431-R434 VanDerWaalsContact O-N 3.09Å; S432-R434 PolarHBondContact O-N 3.49Å; R434-L436 VanDerWaalsContact C-N 3.35Å; R434-N437 PolarHBondContact O-N 3.32Å; R434-L438 PolarHBondContact O-N 3.47Å
435	N	32.1	Very low	38	Very low	79 Å²	79	87 Å²	87	42%	0.422	43%	0.434	S	S	.	.	H	α-helix	trans	-68.5	-35.1	177.2	-78.5	11.8	0	0	0	112.1	Y346 Q431 S432 L438 L439	Y346-N435 PolarHBondContact OH-ND2 3.42Å; Q431-N435 PolarHBondContact O-N 2.94Å; S432-N435 PolarHBondContact O-N 3.27Å; N435-L438 PolarHBondContact O-N 3.14Å; N435-L439 PolarHBondContact O-N 3.34Å
436	L	29.7	Very low	37.1	Very low	43 Å²	43	88.7 Å²	88.7	23%	0.225	44%	0.443	C	S	.	.	H	α-helix	trans	-64.2	-38.5	173.2	-92.5	146.1	0	0	0	112.3	S432 N433 R434 L438 L439	S432-L436 WeakPolarHBondContact O-CB 3.49Å; S432-L436 WeakPolarHBondContact O-CD1 3.39Å; S432-L436 PolarHBondContact O-N 2.91Å; N433-L436 PolarHBondContact O-N 2.95Å; R434-L436 VanDerWaalsContact C-N 3.35Å; L436-L438 PolarHBondContact O-N 2.83Å; L436-L439 PolarHBondContact O-N 3.08Å
437	N	29.4	Very low	36.5	Very low	105 Å²	105	89.7 Å²	89.7	56%	0.561	45%	0.451	S	S	*	.	H	α-helix	trans	-67.4	-22.1	177.5	-80.8	-16.7	0	0	0	113.9	N433 R434	N433-N437 PolarHBondContact O-N 3.41Å; R434-N437 PolarHBondContact O-N 3.32Å
438	L	32.3	Very low	36	Very low	144 Å²	144	92 Å²	92	75%	0.754	47%	0.465	S	S	*	.	H	α-helix	trans	-87.9	-25.2	179.9	-84	155.2	0	0	0	113.4	R434 N435 L436	R434-L438 PolarHBondContact O-N 3.47Å; N435-L438 PolarHBondContact O-N 3.14Å; L436-L438 PolarHBondContact O-N 2.83Å
439	L	30.7	Very low	35.6	Very low	138 Å²	138	96 Å²	96	72%	0.723	49%	0.487	S	S	*	.	S	Bend	trans	-112.8	83.3	-177.2	-74.7	158.9	0	0	0	110.1	N435 L436	N435-L439 PolarHBondContact O-N 3.34Å; L436-L439 PolarHBondContact O-N 3.08Å
440	N	29.4	Very low	35.5	Very low	133 Å²	133	96.1 Å²	96.1	71%	0.711	49%	0.488	S	S	*	.			trans	67.8	108.8	172.4	-67.8	-25.3	0	0	0	117.1	D442 Q443	N440-D442 PolarHBondContact O-N 3.29Å; N440-Q443 PolarHBondContact O-N 3.13Å
441	K	33.9	Very low	35.5	Very low	190 Å²	190	96.6 Å²	96.6	83%	0.826	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-17.3	175.9	-75.4	179.9	175	176	0	115.2
442	D	29.9	Very low	35.8	Very low	153 Å²	153	98.7 Å²	98.7	82%	0.818	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-3.8	-169.9	-63.8	-28.2	0	0	0	114.8	N440	N440-D442 PolarHBondContact O-N 3.29Å
443	Q	27.7	Very low	36.4	Very low	131 Å²	131	98.7 Å²	98.7	61%	0.612	50%	0.497	S	S	*	.			trans	-138.8	80.5	174.6	-71.2	-169.5	5.3	0	0	111.9	N440 K445	N440-Q443 PolarHBondContact O-N 3.13Å; Q443-K445 PolarHBondContact O-N 3.36Å
444	I	29.7	Very low	37	Very low	96 Å²	96	99.8 Å²	99.8	49%	0.492	50%	0.501	S	S	.	.			trans	-67.1	82.4	161.9	-60.9	169.9	0	0	0	107.6	I446	I444-I446 HydrophobicContact CG2-CD1 3.54Å; I444-I446 HydrophobicContact CG2-CG1 3.54Å; I444-I446 PolarHBondContact O-N 3.02Å
445	K	31.6	Very low	37.9	Very low	161 Å²	161	98.2 Å²	98.2	70%	0.7	50%	0.498	S	S	*	.			trans	-79.2	74	169.1	-91.4	-176.3	177.3	173.7	0	108.7	Q443 T447	Q443-K445 PolarHBondContact O-N 3.36Å; K445-T447 PolarHBondContact O-N 3.46Å
446	I	39	Very low	39	Very low	37 Å²	37	98.1 Å²	98.1	19%	0.19	49%	0.494	C	S	.	.			trans	-68.1	122	161.7	-66.2	161.4	0	0	0	106.3	H168 I444 E450 I451	H168-I446 VanDerWaalsContact CD2-CD1 3.5Å; H168-I446 WeakPolarHBondContact CD2-CD1 3.46Å; H168-I446 VanDerWaalsContact NE2-CD1 3.28Å; H168-I446 WeakPolarHBondContact NE2-CD1 3.44Å; I444-I446 HydrophobicContact CG2-CD1 3.54Å; I444-I446 HydrophobicContact CG2-CG1 3.54Å; I444-I446 PolarHBondContact O-N 3.02Å; I446-E450 HydrophobicContact CG2-CB 3.95Å; I446-E450 HydrophobicContact CG2-CG 4.41Å; I446-I451 HydrophobicContact CG2-CD1 4.16Å; I446-I451 HydrophobicContact CG2-CG1 3.49Å; I446-I451 VanDerWaalsContact CG2-CG1 3.49Å
447	T	40.4	Very low	40	Very low	82 Å²	82	96.6 Å²	96.6	50%	0.503	49%	0.486	S	S	.	.			trans	-70.7	146.3	176.8	57	0	0	0	0	109.6	K445 D449 E450 I451	K445-T447 PolarHBondContact O-N 3.46Å; T447-D449 PolarHBondContact O-N 3.06Å; T447-D449 VanDerWaalsContact O-N 3.13Å; T447-E450 WeakPolarHBondContact O-CB 3.45Å; T447-E450 PolarHBondContact O-N 3.03Å; T447-I451 PolarHBondContact O-N 3.4Å
448	V	41.3	Very low	40.9	Very low	104 Å²	104	95.8 Å²	95.8	63%	0.63	48%	0.479	S	S	*	.	H	α-helix	trans	-52.8	-37	178.1	175.2	0	0	0	0	111	E450 I451 I452	V448-E450 VanDerWaalsContact C-N 3.35Å; V448-E450 PolarHBondContact O-N 2.91Å; V448-I451 PolarHBondContact O-N 3.17Å; V448-I452 HydrophobicContact CG1-CD1 3.81Å; V448-I452 HydrophobicContact CG1-CG1 4.39Å; V448-I452 WeakPolarHBondContact O-CG1 3.48Å; V448-I452 PolarHBondContact O-N 3.15Å
449	D	44.7	Very low	41.7	Very low	113 Å²	113	90.8 Å²	90.8	60%	0.604	46%	0.462	S	S	*	.	H	α-helix	trans	-58.5	-43.1	175.3	-65.3	-30.6	0	0	0	112.5	T447 I451 I452 I453	T447-D449 PolarHBondContact O-N 3.06Å; T447-D449 VanDerWaalsContact O-N 3.13Å; D449-I451 PolarHBondContact O-N 2.94Å; D449-I452 PolarHBondContact O-N 3.17Å; D449-I453 WeakPolarHBondContact O-CB 3.41Å; D449-I453 WeakPolarHBondContact O-CD1 3.29Å; D449-I453 WeakPolarHBondContact O-CG1 3.35Å; D449-I453 PolarHBondContact O-N 3.19Å
450	E	48.9	Very low	42.7	Very low	25 Å²	25	84.5 Å²	84.5	12%	0.117	43%	0.429	C	S	.	.	H	α-helix	trans	-66.5	-38.2	179.2	-163.1	-170.7	155.3	0	0	111.7	F429 I446 T447 V448 I453 K454	F429-E450 HydrophobicContact CD1-CG 4.32Å; F429-E450 HydrophobicContact CE1-CG 3.84Å; I446-E450 HydrophobicContact CG2-CB 3.95Å; I446-E450 HydrophobicContact CG2-CG 4.41Å; T447-E450 WeakPolarHBondContact O-CB 3.45Å; T447-E450 PolarHBondContact O-N 3.03Å; V448-E450 VanDerWaalsContact C-N 3.35Å; V448-E450 PolarHBondContact O-N 2.91Å; E450-I453 PolarHBondContact O-N 3.34Å; E450-K454 WeakPolarHBondContact O-CB 3.35Å; E450-K454 WeakPolarHBondContact O-CG 3.43Å; E450-K454 PolarHBondContact O-N 3.43Å; E450-K454 WeakPolarHBondContact OE1-CE 3.38Å; E450-K454 IonicContact OE1-NZ 3.95Å; E450-K454 PolarHBondContact OE1-NZ 3.47Å
451	I	44.8	Very low	43.5	Very low	65 Å²	65	81.1 Å²	81.1	33%	0.333	41%	0.411	S	S	.	.	H	α-helix	trans	-61.8	-46.2	174.4	-58.4	178.8	0	0	0	110.4	I446 T447 V448 D449 K454 K455	I446-I451 HydrophobicContact CG2-CD1 4.16Å; I446-I451 HydrophobicContact CG2-CG1 3.49Å; I446-I451 VanDerWaalsContact CG2-CG1 3.49Å; T447-I451 PolarHBondContact O-N 3.4Å; V448-I451 PolarHBondContact O-N 3.17Å; D449-I451 PolarHBondContact O-N 2.94Å; I451-K454 PolarHBondContact O-N 3.47Å; I451-K455 PolarHBondContact O-N 3.33Å
452	I	47.1	Very low	44	Very low	82 Å²	82	77.5 Å²	77.5	42%	0.421	40%	0.396	S	S	.	.	H	α-helix	trans	-62.6	-45.6	179.3	-67.7	168	0	0	0	110.2	V448 D449 K454 K455 K456	V448-I452 HydrophobicContact CG1-CD1 3.81Å; V448-I452 HydrophobicContact CG1-CG1 4.39Å; V448-I452 WeakPolarHBondContact O-CG1 3.48Å; V448-I452 PolarHBondContact O-N 3.15Å; D449-I452 PolarHBondContact O-N 3.17Å; I452-K454 PolarHBondContact O-N 2.9Å; I452-K455 PolarHBondContact O-N 3.29Å; I452-K456 WeakPolarHBondContact O-CG 3.41Å; I452-K456 PolarHBondContact O-N 3.28Å
453	I	51.3	Low	45	Very low	29 Å²	29	75.7 Å²	75.7	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-42.3	178.4	-68.5	168.7	0	0	0	110.4	P352 N353 I356 F429 D449 E450 K456 L457	P352-I453 HydrophobicContact CB-CG2 4.25Å; N353-I453 HydrophobicContact CB-CD1 4.34Å; N353-I453 HydrophobicContact CB-CG1 4.31Å; I356-I453 HydrophobicContact CD1-CB 4.35Å; I356-I453 HydrophobicContact CD1-CG2 3.28Å; I356-I453 WeakPolarHBondContact CD1-O 3.22Å; F429-I453 HydrophobicContact CE1-CG2 4.38Å; F429-I453 HydrophobicContact CZ-CB 4.5Å; F429-I453 HydrophobicContact CZ-CG2 3.65Å; D449-I453 WeakPolarHBondContact O-CB 3.41Å; D449-I453 WeakPolarHBondContact O-CD1 3.29Å; D449-I453 WeakPolarHBondContact O-CG1 3.35Å; D449-I453 PolarHBondContact O-N 3.19Å; E450-I453 PolarHBondContact O-N 3.34Å; I453-K456 PolarHBondContact O-N 2.82Å; I453-L457 PolarHBondContact O-N 3.29Å
454	K	52	Low	46.1	Very low	36 Å²	36	70.2 Å²	70.2	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-61.6	-46.5	176	-76.5	176.4	-177.6	168.4	0	112.4	F429 E450 I451 I452 K456 L457 E458	F429-K454 HydrophobicContact CD1-CD 4.36Å; F429-K454 HydrophobicContact CD1-CG 4.08Å; F429-K454 HydrophobicContact CE1-CD 4.18Å; F429-K454 HydrophobicContact CE1-CG 3.53Å; F429-K454 HydrophobicContact CE2-CG 4.28Å; F429-K454 HydrophobicContact CZ-CG 3.62Å; E450-K454 WeakPolarHBondContact O-CB 3.35Å; E450-K454 WeakPolarHBondContact O-CG 3.43Å; E450-K454 PolarHBondContact O-N 3.43Å; E450-K454 WeakPolarHBondContact OE1-CE 3.38Å; E450-K454 IonicContact OE1-NZ 3.95Å; E450-K454 PolarHBondContact OE1-NZ 3.47Å; I451-K454 PolarHBondContact O-N 3.47Å; I452-K454 PolarHBondContact O-N 2.9Å; K454-K456 VanDerWaalsContact C-N 3.32Å; K454-K456 PolarHBondContact O-N 3.44Å; K454-L457 PolarHBondContact O-N 3Å; K454-E458 PolarHBondContact O-N 3.41Å
455	K	50.4	Low	46.9	Very low	116 Å²	116	70 Å²	70	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-38.1	176.8	-78	-171.1	173.8	-173.1	0	112.8	I451 I452 E458 G459	I451-K455 PolarHBondContact O-N 3.33Å; I452-K455 PolarHBondContact O-N 3.29Å; K455-E458 WeakPolarHBondContact O-CB 3.27Å; K455-E458 PolarHBondContact O-N 3.22Å; K455-G459 PolarHBondContact O-N 3.01Å; K455-G459 VanDerWaalsContact O-N 3.17Å
456	K	54	Low	47.7	Very low	77 Å²	77	66.9 Å²	66.9	34%	0.335	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.6	-72.9	-175.5	179.6	-175	0	111.7	N353 I356 I452 I453 K454 E458 G459 V460	N353-K456 PolarHBondContact OD1-NZ 3.25Å; N353-K456 VanDerWaalsContact OD1-NZ 3.15Å; I356-K456 HydrophobicContact CG2-CB 3.92Å; I452-K456 WeakPolarHBondContact O-CG 3.41Å; I452-K456 PolarHBondContact O-N 3.28Å; I453-K456 PolarHBondContact O-N 2.82Å; K454-K456 VanDerWaalsContact C-N 3.32Å; K454-K456 PolarHBondContact O-N 3.44Å; K456-E458 VanDerWaalsContact C-N 3.28Å; K456-E458 PolarHBondContact O-N 3.43Å; K456-G459 PolarHBondContact O-N 3.26Å; K456-V460 WeakPolarHBondContact O-CG2 3.37Å; K456-V460 PolarHBondContact O-N 3.35Å; K456-V460 VanDerWaalsContact O-N 3.07Å
457	L	50.9	Low	48.3	Very low	11 Å²	11	66.2 Å²	66.2	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-59.5	-40.5	176.7	-178.3	65.1	0	0	0	111.8	I356 M359 L422 I425 F429 I453 K454 G459 V460 I461	I356-L457 HydrophobicContact CD1-CB 3.95Å; I356-L457 HydrophobicContact CG1-CB 4.41Å; I356-L457 HydrophobicContact CG1-CD1 4.33Å; M359-L457 HydrophobicContact CE-CD1 4.25Å; M359-L457 HydrophobicContact SD-CD1 4.17Å; L422-L457 HydrophobicContact CD2-CD1 4.15Å; I425-L457 HydrophobicContact CG2-CD2 3.79Å; F429-L457 HydrophobicContact CD2-CD2 4.31Å; F429-L457 HydrophobicContact CE2-CD2 3.84Å; I453-L457 PolarHBondContact O-N 3.29Å; K454-L457 PolarHBondContact O-N 3Å; L457-G459 PolarHBondContact O-N 2.9Å; L457-V460 WeakPolarHBondContact O-CB 3.39Å; L457-V460 PolarHBondContact O-N 3.02Å; L457-I461 HydrophobicContact CD1-CD1 4.31Å; L457-I461 HydrophobicContact CD1-CG1 4.42Å; L457-I461 HydrophobicContact CD2-CD1 4.44Å; L457-I461 HydrophobicContact CG-CD1 3.95Å; L457-I461 HydrophobicContact CG-CG1 4.45Å; L457-I461 WeakPolarHBondContact O-CG1 3.39Å; L457-I461 PolarHBondContact O-N 2.99Å
458	E	49.5	Very low	48.7	Very low	89 Å²	89	64.3 Å²	64.3	42%	0.416	32%	0.322	S	S	.	.	H	α-helix	trans	-57.5	-48	175.5	-175.3	177.7	-172.8	0	0	111.6	K454 K455 K456 V460 I461 Q462	K454-E458 PolarHBondContact O-N 3.41Å; K455-E458 WeakPolarHBondContact O-CB 3.27Å; K455-E458 PolarHBondContact O-N 3.22Å; K456-E458 VanDerWaalsContact C-N 3.28Å; K456-E458 PolarHBondContact O-N 3.43Å; E458-V460 VanDerWaalsContact C-N 3.3Å; E458-V460 PolarHBondContact O-N 3.48Å; E458-I461 PolarHBondContact O-N 3.42Å; E458-Q462 PolarHBondContact O-N 3.2Å
459	G	47.8	Very low	48.7	Very low	39 Å²	39	64.7 Å²	64.7	40%	0.402	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-37.2	175.4	0	0	0	0	0	113.4	K455 K456 L457 R463	K455-G459 PolarHBondContact O-N 3.01Å; K455-G459 VanDerWaalsContact O-N 3.17Å; K456-G459 PolarHBondContact O-N 3.26Å; L457-G459 PolarHBondContact O-N 2.9Å; G459-R463 WeakPolarHBondContact O-CB 3.33Å; G459-R463 PolarHBondContact O-N 3.31Å; G459-R463 VanDerWaalsContact O-N 3.1Å
460	V	51.5	Low	48.6	Very low	6 Å²	6	64.8 Å²	64.8	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-47.6	174.5	174.6	0	0	0	0	111.6	I356 M359 E360 V363 K456 L457 E458 R463 L464	I356-V460 HydrophobicContact CG2-CG2 4.13Å; M359-V460 HydrophobicContact CB-CG1 3.81Å; M359-V460 HydrophobicContact CE-CG1 4.02Å; E360-V460 HydrophobicContact CB-CG2 4.31Å; E360-V460 HydrophobicContact CG-CG2 3.22Å; V363-V460 HydrophobicContact CG2-CG1 4.05Å; K456-V460 WeakPolarHBondContact O-CG2 3.37Å; K456-V460 PolarHBondContact O-N 3.35Å; K456-V460 VanDerWaalsContact O-N 3.07Å; L457-V460 WeakPolarHBondContact O-CB 3.39Å; L457-V460 PolarHBondContact O-N 3.02Å; E458-V460 VanDerWaalsContact C-N 3.3Å; E458-V460 PolarHBondContact O-N 3.48Å; V460-R463 PolarHBondContact O-N 3.35Å; V460-L464 WeakPolarHBondContact O-CB 3.2Å; V460-L464 PolarHBondContact O-N 3.03Å
461	I	47	Very low	48.2	Very low	62 Å²	62	64.1 Å²	64.1	32%	0.318	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-45.3	-178.1	-68.4	170.1	0	0	0	110.2	L422 L457 E458 R463 L464 I465	L422-I461 HydrophobicContact CD2-CD1 4.25Å; L422-I461 HydrophobicContact CD2-CG1 4.26Å; L457-I461 HydrophobicContact CD1-CD1 4.31Å; L457-I461 HydrophobicContact CD1-CG1 4.42Å; L457-I461 HydrophobicContact CD2-CD1 4.44Å; L457-I461 HydrophobicContact CG-CD1 3.95Å; L457-I461 HydrophobicContact CG-CG1 4.45Å; L457-I461 WeakPolarHBondContact O-CG1 3.39Å; L457-I461 PolarHBondContact O-N 2.99Å; E458-I461 PolarHBondContact O-N 3.42Å; I461-R463 VanDerWaalsContact C-N 3.34Å; I461-R463 PolarHBondContact O-N 3.4Å; I461-L464 WeakPolarHBondContact O-CB 3.48Å; I461-L464 PolarHBondContact O-N 3.24Å; I461-I465 HydrophobicContact CG2-CD1 3.96Å; I461-I465 WeakPolarHBondContact O-CG1 3.13Å; I461-I465 PolarHBondContact O-N 3.36Å
462	Q	45.1	Very low	47.7	Very low	113 Å²	113	62 Å²	62	53%	0.528	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-47.3	177.8	-176.4	177.2	-12.4	0	0	111.2	E458 L464 I465 E466	E458-Q462 PolarHBondContact O-N 3.2Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 3.04Å; Q462-I465 PolarHBondContact O-N 3.38Å; Q462-E466 PolarHBondContact NE2-OE1 2.83Å; Q462-E466 WeakPolarHBondContact O-CG 3.3Å; Q462-E466 PolarHBondContact O-N 3.47Å
463	R	51.2	Low	47	Very low	116 Å²	116	60.9 Å²	60.9	44%	0.438	30%	0.303	S	S	.	.	H	α-helix	trans	-64.2	-36.9	178	-165.9	175.1	-178	174.6	-0.3	112.3	V363 G459 V460 I461 E466 Q467	V363-R463 HydrophobicContact CG1-CB 4.13Å; V363-R463 HydrophobicContact CG1-CG 3.79Å; G459-R463 WeakPolarHBondContact O-CB 3.33Å; G459-R463 PolarHBondContact O-N 3.31Å; G459-R463 VanDerWaalsContact O-N 3.1Å; V460-R463 PolarHBondContact O-N 3.35Å; I461-R463 VanDerWaalsContact C-N 3.34Å; I461-R463 PolarHBondContact O-N 3.4Å; R463-E466 PolarHBondContact O-N 2.86Å; R463-Q467 VanDerWaalsContact O-CG 3.27Å; R463-Q467 WeakPolarHBondContact O-CG 3.42Å; R463-Q467 PolarHBondContact O-N 3.37Å; R463-Q467 VanDerWaalsContact O-N 3.08Å
464	L	50.2	Low	45.9	Very low	15 Å²	15	62.4 Å²	62.4	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-47.6	173.9	-176	78.4	0	0	0	111	V363 I366 M415 I418 V460 I461 Q462 E466 Q467 L468	V363-L464 HydrophobicContact CG2-CB 4.16Å; V363-L464 HydrophobicContact CG2-CD1 3.85Å; I366-L464 HydrophobicContact CD1-CD1 3.89Å; M415-L464 HydrophobicContact SD-CD1 3.97Å; I418-L464 HydrophobicContact CD1-CD1 3.81Å; I418-L464 HydrophobicContact CG2-CD1 4.34Å; I418-L464 HydrophobicContact CG2-CD2 4.08Å; V460-L464 WeakPolarHBondContact O-CB 3.2Å; V460-L464 PolarHBondContact O-N 3.03Å; I461-L464 WeakPolarHBondContact O-CB 3.48Å; I461-L464 PolarHBondContact O-N 3.24Å; Q462-L464 VanDerWaalsContact C-N 3.32Å; Q462-L464 PolarHBondContact O-N 3.04Å; L464-E466 VanDerWaalsContact C-N 3.34Å; L464-E466 PolarHBondContact O-N 2.82Å; L464-Q467 PolarHBondContact O-N 2.72Å; L464-L468 HydrophobicContact CD1-CD1 4.38Å; L464-L468 HydrophobicContact CD1-CG 4.5Å; L464-L468 HydrophobicContact CD2-CD1 4.21Å; L464-L468 HydrophobicContact CG-CD1 3.84Å; L464-L468 HydrophobicContact CG-CG 4.28Å; L464-L468 WeakPolarHBondContact O-CB 3.33Å; L464-L468 VanDerWaalsContact O-CG 3.28Å; L464-L468 WeakPolarHBondContact O-CG 3.22Å; L464-L468 PolarHBondContact O-N 3.2Å
465	I	46	Very low	44.7	Very low	93 Å²	93	64.6 Å²	64.6	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-47.4	177.9	-68	166.9	0	0	0	110.4	I461 Q462 Q467 L468 I469	I461-I465 HydrophobicContact CG2-CD1 3.96Å; I461-I465 WeakPolarHBondContact O-CG1 3.13Å; I461-I465 PolarHBondContact O-N 3.36Å; Q462-I465 PolarHBondContact O-N 3.38Å; I465-Q467 VanDerWaalsContact C-N 3.29Å; I465-Q467 PolarHBondContact O-N 3.39Å; I465-L468 PolarHBondContact O-N 3.46Å; I465-I469 HydrophobicContact CG2-CD1 3.86Å; I465-I469 VanDerWaalsContact O-CG1 3.3Å; I465-I469 WeakPolarHBondContact O-CG1 3.41Å; I465-I469 PolarHBondContact O-N 3.18Å; I465-I469 VanDerWaalsContact O-N 3.12Å
466	E	49	Very low	43.5	Very low	95 Å²	95	63.2 Å²	63.2	44%	0.444	32%	0.324	S	S	.	.	H	α-helix	trans	-57.5	-40.2	177.9	-73.5	171.1	-172.1	0	0	112.7	Q462 R463 L464	Q462-E466 PolarHBondContact NE2-OE1 2.83Å; Q462-E466 WeakPolarHBondContact O-CG 3.3Å; Q462-E466 PolarHBondContact O-N 3.47Å; R463-E466 PolarHBondContact O-N 2.86Å; L464-E466 VanDerWaalsContact C-N 3.34Å; L464-E466 PolarHBondContact O-N 2.82Å
467	Q	51.9	Low	42.3	Very low	23 Å²	23	65.6 Å²	65.6	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-75.8	-37.1	178.9	-65.3	-57.9	-44.5	0	0	112.6	V363 I366 T367 R463 L464 I465 I469 Q470	V363-Q467 HydrophobicContact CG1-CG 4.47Å; I366-Q467 HydrophobicContact CG2-CB 4.43Å; T367-Q467 PolarHBondContact OG1-OE1 3.38Å; R463-Q467 VanDerWaalsContact O-CG 3.27Å; R463-Q467 WeakPolarHBondContact O-CG 3.42Å; R463-Q467 PolarHBondContact O-N 3.37Å; R463-Q467 VanDerWaalsContact O-N 3.08Å; L464-Q467 PolarHBondContact O-N 2.72Å; I465-Q467 VanDerWaalsContact C-N 3.29Å; I465-Q467 PolarHBondContact O-N 3.39Å; Q467-I469 VanDerWaalsContact C-N 3.35Å; Q467-I469 PolarHBondContact O-N 2.98Å; Q467-Q470 WeakPolarHBondContact O-CB 3.09Å; Q467-Q470 PolarHBondContact O-N 2.74Å
468	L	47.2	Very low	41.1	Very low	42 Å²	42	69.5 Å²	69.5	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-68.7	-32.5	-179.3	-73.6	175.9	0	0	0	112.9	M415 L464 I465 Q470 L471	M415-L468 HydrophobicContact CE-CD1 3.82Å; M415-L468 HydrophobicContact CE-CD2 4Å; M415-L468 HydrophobicContact CE-CG 4.5Å; M415-L468 HydrophobicContact SD-CD1 4.41Å; M415-L468 HydrophobicContact SD-CD2 3.77Å; L464-L468 HydrophobicContact CD1-CD1 4.38Å; L464-L468 HydrophobicContact CD1-CG 4.5Å; L464-L468 HydrophobicContact CD2-CD1 4.21Å; L464-L468 HydrophobicContact CG-CD1 3.84Å; L464-L468 HydrophobicContact CG-CG 4.28Å; L464-L468 WeakPolarHBondContact O-CB 3.33Å; L464-L468 VanDerWaalsContact O-CG 3.28Å; L464-L468 WeakPolarHBondContact O-CG 3.22Å; L464-L468 PolarHBondContact O-N 3.2Å; I465-L468 PolarHBondContact O-N 3.46Å; L468-Q470 PolarHBondContact O-N 3.48Å; L468-Q470 VanDerWaalsContact O-N 3.15Å; L468-L471 HydrophobicContact CD2-CD1 3.46Å; L468-L471 VanDerWaalsContact CD2-CD1 3.46Å; L468-L471 WeakPolarHBondContact O-CB 3.35Å; L468-L471 PolarHBondContact O-N 2.66Å; L468-L471 VanDerWaalsContact O-N 3.09Å
469	I	43	Very low	39.8	Very low	112 Å²	112	67.9 Å²	67.9	57%	0.574	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.1	174.9	-69.5	165.1	0	0	0	111.3	I465 Q467	I465-I469 HydrophobicContact CG2-CD1 3.86Å; I465-I469 VanDerWaalsContact O-CG1 3.3Å; I465-I469 WeakPolarHBondContact O-CG1 3.41Å; I465-I469 PolarHBondContact O-N 3.18Å; I465-I469 VanDerWaalsContact O-N 3.12Å; Q467-I469 VanDerWaalsContact C-N 3.35Å; Q467-I469 PolarHBondContact O-N 2.98Å
470	Q	41.9	Very low	38.7	Very low	115 Å²	115	71.3 Å²	71.3	54%	0.537	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.8	179.3	-55.4	-176.5	12.7	0	0	113.9	Q467 L468 P472	Q467-Q470 WeakPolarHBondContact O-CB 3.09Å; Q467-Q470 PolarHBondContact O-N 2.74Å; L468-Q470 PolarHBondContact O-N 3.48Å; L468-Q470 VanDerWaalsContact O-N 3.15Å; Q470-P472 WeakPolarHBondContact O-CD 3.25Å
471	L	40.5	Very low	37.4	Very low	10 Å²	10	77.4 Å²	77.4	5%	0.052	40%	0.397	C	S	.	.			trans	-70	125.1	-177.8	-89.5	156.3	0	0	0	111.7	L370 M408 V411 L468 C473 V474 I475	L370-L471 HydrophobicContact CD2-CD2 3.3Å; L370-L471 HydrophobicContact CD2-CG 3.56Å; M408-L471 HydrophobicContact CE-CD2 4.25Å; M408-L471 HydrophobicContact SD-CD2 4.21Å; V411-L471 HydrophobicContact CG1-CD1 4.39Å; V411-L471 HydrophobicContact CG1-CD2 4.26Å; L468-L471 HydrophobicContact CD2-CD1 3.46Å; L468-L471 VanDerWaalsContact CD2-CD1 3.46Å; L468-L471 WeakPolarHBondContact O-CB 3.35Å; L468-L471 PolarHBondContact O-N 2.66Å; L468-L471 VanDerWaalsContact O-N 3.09Å; L471-C473 PolarHBondContact O-N 2.91Å; L471-C473 VanDerWaalsContact O-N 3.12Å; L471-V474 HydrophobicContact CB-CB 4.28Å; L471-V474 HydrophobicContact CB-CG2 3.9Å; L471-V474 CarbonylContact O-C 3.55Å; L471-V474 WeakPolarHBondContact O-CA 3.49Å; L471-V474 WeakPolarHBondContact O-CB 3.39Å; L471-V474 PolarHBondContact O-N 3.28Å; L471-I475 PolarHBondContact O-N 3.1Å
472	P	33.6	Very low	36.6	Very low	21 Å²	21	83.1 Å²	83.1	14%	0.136	42%	0.422	C	S	.	.	H	α-helix	trans	-60.9	-23.7	-180	-25.4	33.7	0	0	0	114.8	Q470 I475 N476	Q470-P472 WeakPolarHBondContact O-CD 3.25Å; P472-I475 CarbonylContact O-C 3.56Å; P472-I475 PolarHBondContact O-N 3.21Å; P472-N476 WeakPolarHBondContact O-CA 3.46Å; P472-N476 WeakPolarHBondContact O-CB 3.33Å; P472-N476 PolarHBondContact O-N 3.43Å
473	C	32.3	Very low	35.8	Very low	58 Å²	58	86.5 Å²	86.5	39%	0.392	44%	0.435	S	S	.	.	H	α-helix	trans	-71.7	-36.1	172.7	48.5	0	0	0	0	111.9	M408 L471 I475 D477	M408-C473 WeakPolarHBondContact CE-SG 3.27Å; L471-C473 PolarHBondContact O-N 2.91Å; L471-C473 VanDerWaalsContact O-N 3.12Å; C473-I475 PolarHBondContact O-N 2.88Å; C473-D477 PolarHBondContact O-N 3.37Å
474	V	29.4	Very low	34.5	Very low	61 Å²	61	86.5 Å²	86.5	37%	0.37	44%	0.444	S	S	.	.	H	α-helix	trans	-73.3	-14.3	171.2	-171.9	0	0	0	0	111.2	L471 F478	L471-V474 HydrophobicContact CB-CB 4.28Å; L471-V474 HydrophobicContact CB-CG2 3.9Å; L471-V474 CarbonylContact O-C 3.55Å; L471-V474 WeakPolarHBondContact O-CA 3.49Å; L471-V474 WeakPolarHBondContact O-CB 3.39Å; L471-V474 PolarHBondContact O-N 3.28Å; V474-F478 HydrophobicContact CG1-CE2 3.99Å; V474-F478 HydrophobicContact CG1-CZ 4.42Å; V474-F478 WeakPolarHBondContact O-CD2 3.44Å; V474-F478 WeakPolarHBondContact O-CE2 3.44Å; V474-F478 WeakPolarHBondContact O-CG 3.45Å
475	I	27	Very low	33.6	Very low	82 Å²	82	95 Å²	95	42%	0.421	48%	0.48	S	S	.	.	H	α-helix	trans	-99.1	-35.6	173.8	-60.2	170.3	0	0	0	111.2	L471 P472 C473 F478 S479	L471-I475 PolarHBondContact O-N 3.1Å; P472-I475 CarbonylContact O-C 3.56Å; P472-I475 PolarHBondContact O-N 3.21Å; C473-I475 PolarHBondContact O-N 2.88Å; I475-F478 CarbonylContact O-C 3.57Å; I475-F478 VanDerWaalsContact O-C 3.27Å; I475-F478 WeakPolarHBondContact O-CA 3.33Å; I475-F478 WeakPolarHBondContact O-CB 3.45Å; I475-F478 PolarHBondContact O-N 3.09Å; I475-F478 VanDerWaalsContact O-N 3.15Å; I475-S479 WeakPolarHBondContact O-CB 3.45Å; I475-S479 PolarHBondContact O-N 2.76Å; I475-S479 PolarHBondContact O-OG 3.03Å
476	N	25.5	Very low	32.9	Very low	88 Å²	88	99.9 Å²	99.9	47%	0.471	50%	0.501	S	S	.	.	H	α-helix	trans	-84.1	-32.2	-171.7	-74.3	-6.6	0	0	0	113.6	P472 F478 S479	P472-N476 WeakPolarHBondContact O-CA 3.46Å; P472-N476 WeakPolarHBondContact O-CB 3.33Å; P472-N476 PolarHBondContact O-N 3.43Å; N476-F478 PolarHBondContact O-N 3.03Å; N476-S479 WeakPolarHBondContact CA-OG 3.47Å; N476-S479 CarbonylContact O-C 3.51Å; N476-S479 PolarHBondContact O-N 3.41Å; N476-S479 PolarHBondContact O-OG 3.38Å
477	D	27	Very low	31.9	Very low	127 Å²	127	98.6 Å²	98.6	68%	0.679	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.4	164.5	-79.7	-14	0	0	0	111.3	C473	C473-D477 PolarHBondContact O-N 3.37Å
478	F	26.3	Very low	30.8	Very low	93 Å²	93	103.5 Å²	103.5	41%	0.408	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-17.8	176.2	-69.5	-110.7	0	0	0	112.7	V474 I475 N476 L480 N492 F494	V474-F478 HydrophobicContact CG1-CE2 3.99Å; V474-F478 HydrophobicContact CG1-CZ 4.42Å; V474-F478 WeakPolarHBondContact O-CD2 3.44Å; V474-F478 WeakPolarHBondContact O-CE2 3.44Å; V474-F478 WeakPolarHBondContact O-CG 3.45Å; I475-F478 CarbonylContact O-C 3.57Å; I475-F478 VanDerWaalsContact O-C 3.27Å; I475-F478 WeakPolarHBondContact O-CA 3.33Å; I475-F478 WeakPolarHBondContact O-CB 3.45Å; I475-F478 PolarHBondContact O-N 3.09Å; I475-F478 VanDerWaalsContact O-N 3.15Å; N476-F478 PolarHBondContact O-N 3.03Å; F478-L480 PolarHBondContact O-N 2.99Å; F478-N492 WeakPolarHBondContact CD1-OD1 3.12Å; F478-N492 WeakPolarHBondContact CE1-OD1 3.42Å; F478-F494 HydrophobicContact CE1-CD2 4.33Å; F478-F494 HydrophobicContact CZ-CD2 4.02Å
479	S	23.1	Very low	30	Very low	54 Å²	54	109.1 Å²	109.1	38%	0.378	56%	0.559	S	S	.	*	S	Bend	trans	-99.4	73	170.9	74.7	0	0	0	0	108.4	I475 N476 N481	I475-S479 WeakPolarHBondContact O-CB 3.45Å; I475-S479 PolarHBondContact O-N 2.76Å; I475-S479 PolarHBondContact O-OG 3.03Å; N476-S479 WeakPolarHBondContact CA-OG 3.47Å; N476-S479 CarbonylContact O-C 3.51Å; N476-S479 PolarHBondContact O-N 3.41Å; N476-S479 PolarHBondContact O-OG 3.38Å; S479-N481 PolarHBondContact O-N 3.38Å
480	L	24.8	Very low	29.3	Very low	111 Å²	111	111.1 Å²	111.1	58%	0.581	57%	0.566	S	S	*	*			trans	-44.6	109.9	159.4	-94.2	153.4	0	0	0	107.8	F478 E482 Q490	F478-L480 PolarHBondContact O-N 2.99Å; L480-E482 PolarHBondContact O-N 2.96Å; L480-E482 VanDerWaalsContact O-N 3.17Å; L480-Q490 HydrophobicContact CD1-CB 4.11Å
481	N	24.5	Very low	28.7	Very low	135 Å²	135	108.6 Å²	108.6	72%	0.722	56%	0.561	S	S	*	*			trans	-35.4	118.5	-175	-79.3	-50.1	0	0	0	111.9	S479 F483 N484	S479-N481 PolarHBondContact O-N 3.38Å; N481-F483 PolarHBondContact O-N 3.3Å; N481-N484 PolarHBondContact O-N 2.97Å
482	E	29.3	Very low	28.3	Very low	182 Å²	182	111.5 Å²	111.5	85%	0.85	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	6.4	174.7	-83.2	-169.1	140.4	0	0	115.1	L480 N484	L480-E482 PolarHBondContact O-N 2.96Å; L480-E482 VanDerWaalsContact O-N 3.17Å; E482-N484 VanDerWaalsContact C-N 3.34Å
483	F	27.4	Very low	27.9	Very low	184 Å²	184	115 Å²	115	81%	0.807	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-8.1	177.2	-85.1	-77.7	0	0	0	114.9	N481	N481-F483 PolarHBondContact O-N 3.3Å
484	N	25.3	Very low	27.6	Very low	115 Å²	115	117.5 Å²	117.5	62%	0.615	61%	0.605	S	S	*	*			trans	-109.3	83.3	162.8	-86.7	-17.4	0	0	0	110.2	N481 E482 Q486 S487	N481-N484 PolarHBondContact O-N 2.97Å; E482-N484 VanDerWaalsContact C-N 3.34Å; N484-Q486 PolarHBondContact O-N 3.31Å; N484-S487 WeakPolarHBondContact CB-OG 3.44Å; N484-S487 PolarHBondContact O-N 3.34Å; N484-S487 PolarHBondContact O-OG 3.12Å
485	K	30.4	Very low	27.7	Very low	195 Å²	195	120 Å²	120	85%	0.848	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	5.1	168.1	-90.7	-174.4	174.9	-178.7	0	114.8
486	Q	31.9	Very low	27.8	Very low	195 Å²	195	119.7 Å²	119.7	91%	0.911	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.6	-0.4	172.7	-72.4	-175.5	-16.3	0	0	114.5	N484	N484-Q486 PolarHBondContact O-N 3.31Å
487	S	28.8	Very low	27.9	Very low	68 Å²	68	119 Å²	119	48%	0.476	61%	0.605	S	S	.	*			trans	-125.4	52.1	177.5	64.7	0	0	0	0	112.6	N484 Q489	N484-S487 WeakPolarHBondContact CB-OG 3.44Å; N484-S487 PolarHBondContact O-N 3.34Å; N484-S487 PolarHBondContact O-OG 3.12Å; S487-Q489 PolarHBondContact O-N 3.42Å
488	V	27.7	Very low	28.1	Very low	126 Å²	126	117.9 Å²	117.9	76%	0.764	60%	0.598	S	S	*	*			trans	-86.1	27.8	175.8	-172.9	0	0	0	0	111.8
489	Q	31	Very low	28.5	Very low	160 Å²	160	116.1 Å²	116.1	75%	0.748	59%	0.591	S	S	*	*			trans	-133.1	54.2	-176.7	-76.4	-169.9	-38.4	0	0	113.2	S487	S487-Q489 PolarHBondContact O-N 3.42Å
490	Q	27.5	Very low	29	Very low	153 Å²	153	114.3 Å²	114.3	72%	0.715	58%	0.58	S	S	*	*			trans	-117	90.7	154.1	-78.9	-174.6	-18.2	0	0	107.8	L480 N492	L480-Q490 HydrophobicContact CD1-CB 4.11Å; Q490-N492 PolarHBondContact O-N 2.95Å
491	S	29.7	Very low	29.3	Very low	63 Å²	63	113.2 Å²	113.2	44%	0.441	57%	0.568	S	S	.	*			trans	-55.5	125.2	170.4	32.4	0	0	0	0	109	C493 I496	S491-C493 PolarHBondContact O-N 3.38Å; S491-I496 WeakPolarHBondContact OG-CD1 3.38Å
492	N	31	Very low	29.8	Very low	70 Å²	70	110.4 Å²	110.4	37%	0.374	55%	0.552	S	S	.	*			trans	-39.5	102.7	-177.3	-166.3	-13.2	0	0	0	112.4	F478 Q490 F494 Q495 I496	F478-N492 WeakPolarHBondContact CD1-OD1 3.12Å; F478-N492 WeakPolarHBondContact CE1-OD1 3.42Å; Q490-N492 PolarHBondContact O-N 2.95Å; N492-F494 PolarHBondContact O-N 2.91Å; N492-Q495 HydrophobicContact CB-CB 4.39Å; N492-Q495 PolarHBondContact O-N 2.97Å; N492-I496 PolarHBondContact O-N 3.01Å
493	C	26.6	Very low	30	Very low	95 Å²	95	103.6 Å²	103.6	64%	0.642	52%	0.519	S	S	*	.	H	α-helix	trans	-53.4	-28.3	-171	-64.5	0	0	0	0	113.7	S491 E497	S491-C493 PolarHBondContact O-N 3.38Å; C493-E497 PolarHBondContact O-N 3.17Å
494	F	26.2	Very low	30.3	Very low	111 Å²	111	100.2 Å²	100.2	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-73.1	-35.3	177	-94.8	-81.7	0	0	0	113.8	A185 F478 N492 I496 L498	A185-F494 HydrophobicContact CB-CE1 4.11Å; A185-F494 HydrophobicContact CB-CZ 3.96Å; F478-F494 HydrophobicContact CE1-CD2 4.33Å; F478-F494 HydrophobicContact CZ-CD2 4.02Å; N492-F494 PolarHBondContact O-N 2.91Å; F494-I496 VanDerWaalsContact C-N 3.34Å; F494-L498 VanDerWaalsContact O-CB 3.23Å; F494-L498 WeakPolarHBondContact O-CB 3.46Å; F494-L498 PolarHBondContact O-N 3.38Å
495	Q	30.1	Very low	30.6	Very low	112 Å²	112	98.1 Å²	98.1	52%	0.523	49%	0.485	S	S	.	.	H	α-helix	trans	-67.1	-41.1	175.4	-172.8	172	-13.7	0	0	110.1	N492 E499	N492-Q495 HydrophobicContact CB-CB 4.39Å; N492-Q495 PolarHBondContact O-N 2.97Å; Q495-E499 WeakPolarHBondContact O-CB 3.29Å; Q495-E499 PolarHBondContact O-N 2.84Å
496	I	29.1	Very low	30.8	Very low	76 Å²	76	91.8 Å²	91.8	39%	0.39	46%	0.458	S	S	.	.	H	α-helix	trans	-65.2	-44.6	176.5	-61.8	173.8	0	0	0	111.3	S491 N492 F494 A500	S491-I496 WeakPolarHBondContact OG-CD1 3.38Å; N492-I496 PolarHBondContact O-N 3.01Å; F494-I496 VanDerWaalsContact C-N 3.34Å; I496-A500 WeakPolarHBondContact O-CB 3.24Å; I496-A500 PolarHBondContact O-N 3.01Å
497	E	29.4	Very low	30.8	Very low	73 Å²	73	85.1 Å²	85.1	34%	0.341	43%	0.428	S	S	.	.	H	α-helix	trans	-69.9	-39	178.9	-85.3	-161.1	149.2	0	0	112.8	R188 C493 A500 W501	R188-E497 IonicContact CZ-OE1 2.89Å; R188-E497 IonicContact NH1-OE1 2.65Å; R188-E497 PolarHBondContact NH1-OE1 2.9Å; C493-E497 PolarHBondContact O-N 3.17Å; E497-A500 PolarHBondContact O-N 2.98Å; E497-W501 WeakPolarHBondContact O-CB 3.3Å; E497-W501 PolarHBondContact O-N 2.98Å
498	L	31.1	Very low	31.1	Very low	104 Å²	104	87.6 Å²	87.6	55%	0.545	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-42.1	175.6	-171.4	71.9	0	0	0	111	F494 W501 I502	F494-L498 VanDerWaalsContact O-CB 3.23Å; F494-L498 WeakPolarHBondContact O-CB 3.46Å; F494-L498 PolarHBondContact O-N 3.38Å; L498-W501 PolarHBondContact O-N 2.92Å; L498-I502 HydrophobicContact CG-CD1 4.44Å; L498-I502 WeakPolarHBondContact O-CG1 3.36Å; L498-I502 PolarHBondContact O-N 3.02Å
499	E	34.2	Very low	31.4	Very low	56 Å²	56	86.6 Å²	86.6	26%	0.262	42%	0.417	S	S	.	.	H	α-helix	trans	-70.2	-42.6	177.7	-163	175.9	174.5	0	0	111.8	Q495 W501 I502 R503	Q495-E499 WeakPolarHBondContact O-CB 3.29Å; Q495-E499 PolarHBondContact O-N 2.84Å; E499-W501 PolarHBondContact O-N 3.48Å; E499-I502 PolarHBondContact O-N 3.36Å; E499-R503 WeakPolarHBondContact O-CB 3.2Å; E499-R503 WeakPolarHBondContact O-CG 3.18Å; E499-R503 PolarHBondContact O-N 3.47Å; E499-R503 IonicContact OE1-CZ 3.1Å; E499-R503 IonicContact OE1-NE 2.71Å; E499-R503 IonicContact OE1-NH2 2.74Å; E499-R503 PolarHBondContact OE1-NH2 3.28Å
500	A	33.2	Very low	31.3	Very low	17 Å²	17	80 Å²	80	14%	0.14	39%	0.387	C	S	.	.	H	α-helix	trans	-61.5	-29.7	171.5	0	0	0	0	0	112	I496 E497 R504	I496-A500 WeakPolarHBondContact O-CB 3.24Å; I496-A500 PolarHBondContact O-N 3.01Å; E497-A500 PolarHBondContact O-N 2.98Å; A500-R504 WeakPolarHBondContact O-CB 3.16Å; A500-R504 VanDerWaalsContact O-CG 3.29Å; A500-R504 WeakPolarHBondContact O-CG 3.13Å; A500-R504 PolarHBondContact O-N 2.94Å
501	W	31.7	Very low	31.5	Very low	87 Å²	87	74.3 Å²	74.3	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	-78.2	-46.5	177.2	-176.7	83.9	0	0	0	112.9	I177 I181 E497 L498 E499 R503 R504 Y505	I177-W501 HydrophobicContact CG2-CZ2 3.77Å; I181-W501 HydrophobicContact CD1-CD2 3.91Å; I181-W501 HydrophobicContact CD1-CG 4.23Å; I181-W501 HydrophobicContact CD1-CH2 4.47Å; I181-W501 HydrophobicContact CD1-CZ2 3.84Å; E497-W501 WeakPolarHBondContact O-CB 3.3Å; E497-W501 PolarHBondContact O-N 2.98Å; L498-W501 PolarHBondContact O-N 2.92Å; E499-W501 PolarHBondContact O-N 3.48Å; W501-R503 PolarHBondContact O-N 2.87Å; W501-R504 PolarHBondContact O-N 3.32Å; W501-R504 VanDerWaalsContact O-N 3.11Å; W501-Y505 WeakPolarHBondContact O-CB 3.31Å; W501-Y505 PolarHBondContact O-N 3.48Å
502	I	33.9	Very low	31.6	Very low	77 Å²	77	75.6 Å²	75.6	40%	0.395	36%	0.362	S	S	.	.	H	α-helix	trans	-54.1	-46.2	171.5	-69.3	168	0	0	0	109.2	L498 E499 Y505 E506	L498-I502 HydrophobicContact CG-CD1 4.44Å; L498-I502 WeakPolarHBondContact O-CG1 3.36Å; L498-I502 PolarHBondContact O-N 3.02Å; E499-I502 PolarHBondContact O-N 3.36Å; I502-Y505 PolarHBondContact O-N 2.93Å; I502-E506 WeakPolarHBondContact O-CG 3.36Å; I502-E506 PolarHBondContact O-N 2.96Å
503	R	34.4	Very low	31.6	Very low	39 Å²	39	74.3 Å²	74.3	15%	0.147	36%	0.355	C	S	.	.	H	α-helix	trans	-62.3	-48.2	176.1	-68.3	177.5	-167.8	-139	15.6	111.1	E499 W501 Y505 E506 M507	E499-R503 WeakPolarHBondContact O-CB 3.2Å; E499-R503 WeakPolarHBondContact O-CG 3.18Å; E499-R503 PolarHBondContact O-N 3.47Å; E499-R503 IonicContact OE1-CZ 3.1Å; E499-R503 IonicContact OE1-NE 2.71Å; E499-R503 IonicContact OE1-NH2 2.74Å; E499-R503 PolarHBondContact OE1-NH2 3.28Å; W501-R503 PolarHBondContact O-N 2.87Å; R503-Y505 VanDerWaalsContact C-N 3.33Å; R503-Y505 PolarHBondContact O-N 2.95Å; R503-E506 PolarHBondContact O-N 3.16Å; R503-M507 WeakPolarHBondContact O-CB 3.13Å; R503-M507 WeakPolarHBondContact O-CG 3.37Å; R503-M507 PolarHBondContact O-N 3.42Å
504	R	32.5	Very low	31.7	Very low	112 Å²	112	70.7 Å²	70.7	42%	0.423	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-40	176.5	-82.1	179	-164	161.8	9.9	113.4	A500 W501 M507 E508	A500-R504 WeakPolarHBondContact O-CB 3.16Å; A500-R504 VanDerWaalsContact O-CG 3.29Å; A500-R504 WeakPolarHBondContact O-CG 3.13Å; A500-R504 PolarHBondContact O-N 2.94Å; W501-R504 PolarHBondContact O-N 3.32Å; W501-R504 VanDerWaalsContact O-N 3.11Å; R504-M507 PolarHBondContact O-N 2.77Å; R504-E508 PolarHBondContact O-N 3.34Å
505	Y	31.8	Very low	32	Very low	71 Å²	71	72.6 Å²	72.6	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-68.9	-43.4	178.6	-178.8	-99.3	0	0	0	111.9	Y170 W501 I502 R503 M507 E508 K509	Y170-Y505 AromaticContact CE1-CE1 3.77Å; Y170-Y505 HydrophobicContact CE1-CE1 3.77Å; Y170-Y505 AromaticContact CE1-CZ 3.68Å; Y170-Y505 WeakPolarHBondContact CE1-OH 3.3Å; W501-Y505 WeakPolarHBondContact O-CB 3.31Å; W501-Y505 PolarHBondContact O-N 3.48Å; I502-Y505 PolarHBondContact O-N 2.93Å; R503-Y505 VanDerWaalsContact C-N 3.33Å; R503-Y505 PolarHBondContact O-N 2.95Å; Y505-M507 VanDerWaalsContact C-N 3.25Å; Y505-M507 PolarHBondContact O-N 3.08Å; Y505-E508 PolarHBondContact O-N 3.38Å; Y505-K509 WeakPolarHBondContact O-CB 3.45Å; Y505-K509 PolarHBondContact O-N 2.9Å
506	E	34.9	Very low	32.1	Very low	62 Å²	62	75.2 Å²	75.2	29%	0.29	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-34.7	171.7	-73.9	-177.5	157.6	0	0	111.9	I502 R503 K509 L510 Q560	I502-E506 WeakPolarHBondContact O-CG 3.36Å; I502-E506 PolarHBondContact O-N 2.96Å; R503-E506 PolarHBondContact O-N 3.16Å; E506-K509 WeakPolarHBondContact O-CB 3.3Å; E506-K509 PolarHBondContact O-N 3.46Å; E506-L510 PolarHBondContact O-N 2.8Å; E506-Q560 PolarHBondContact OE2-NE2 3.11Å
507	M	32.5	Very low	32.1	Very low	55 Å²	55	74.2 Å²	74.2	27%	0.271	34%	0.341	S	S	.	.	H	α-helix	trans	-73.4	-34.8	176.3	-65.2	-53.5	-67.6	0	0	113.3	R503 R504 Y505 L510 D511 I601	R503-M507 WeakPolarHBondContact O-CB 3.13Å; R503-M507 WeakPolarHBondContact O-CG 3.37Å; R503-M507 PolarHBondContact O-N 3.42Å; R504-M507 PolarHBondContact O-N 2.77Å; Y505-M507 VanDerWaalsContact C-N 3.25Å; Y505-M507 PolarHBondContact O-N 3.08Å; M507-L510 HydrophobicContact CE-CD1 3.86Å; M507-L510 WeakPolarHBondContact O-CB 3.17Å; M507-L510 PolarHBondContact O-N 3.37Å; M507-L510 HydrophobicContact SD-CD1 3.41Å; M507-L510 WeakPolarHBondContact SD-CD1 3.31Å; M507-D511 PolarHBondContact O-N 2.86Å; M507-I601 HydrophobicContact CE-CD1 3.06Å; M507-I601 HydrophobicContact CE-CG1 3.71Å
508	E	35.6	Very low	32.4	Very low	120 Å²	120	77.7 Å²	77.7	56%	0.561	36%	0.36	S	S	*	.	H	α-helix	trans	-70.3	-36.6	172.7	-168.2	162.3	-145.2	0	0	110.9	R504 Y505 L510 D511 I512	R504-E508 PolarHBondContact O-N 3.34Å; Y505-E508 PolarHBondContact O-N 3.38Å; E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.43Å; E508-D511 PolarHBondContact O-N 2.83Å; E508-I512 HydrophobicContact CG-CD1 4.49Å; E508-I512 VanDerWaalsContact O-CG1 3.29Å; E508-I512 WeakPolarHBondContact O-CG1 3.3Å; E508-I512 PolarHBondContact O-N 3.26Å
509	K	33	Very low	32.8	Very low	105 Å²	105	74.2 Å²	74.2	46%	0.457	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-38.8	167.7	-161.2	-167.5	-178.8	-168.3	0	111.6	Y505 E506 I512 M513	Y505-K509 WeakPolarHBondContact O-CB 3.45Å; Y505-K509 PolarHBondContact O-N 2.9Å; E506-K509 WeakPolarHBondContact O-CB 3.3Å; E506-K509 PolarHBondContact O-N 3.46Å; K509-I512 PolarHBondContact O-N 2.88Å; K509-M513 HydrophobicContact CD-CE 3.75Å; K509-M513 HydrophobicContact CG-CE 3.79Å; K509-M513 VanDerWaalsContact O-CB 3.27Å; K509-M513 WeakPolarHBondContact O-CB 3.25Å; K509-M513 VanDerWaalsContact O-CG 3.28Å; K509-M513 WeakPolarHBondContact O-CG 3.39Å; K509-M513 PolarHBondContact O-N 3.04Å
510	L	28.4	Very low	32.9	Very low	23 Å²	23	72.3 Å²	72.3	12%	0.12	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-39.9	172.2	-101.7	164.5	0	0	0	112.6	E506 M507 E508 M513 S514 F553 Y611	E506-L510 PolarHBondContact O-N 2.8Å; M507-L510 HydrophobicContact CE-CD1 3.86Å; M507-L510 WeakPolarHBondContact O-CB 3.17Å; M507-L510 PolarHBondContact O-N 3.37Å; M507-L510 HydrophobicContact SD-CD1 3.41Å; M507-L510 WeakPolarHBondContact SD-CD1 3.31Å; E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.43Å; L510-M513 PolarHBondContact O-N 3.23Å; L510-S514 VanDerWaalsContact O-CB 3.32Å; L510-S514 WeakPolarHBondContact O-CB 3.4Å; L510-S514 PolarHBondContact O-N 2.83Å; L510-S514 PolarHBondContact O-OG 3Å; L510-F553 HydrophobicContact CD1-CE2 3.93Å; L510-F553 HydrophobicContact CD1-CZ 4.36Å; L510-F553 HydrophobicContact CD2-CD2 4.3Å; L510-F553 HydrophobicContact CD2-CE2 3.36Å; L510-F553 HydrophobicContact CD2-CZ 3.53Å; L510-F553 HydrophobicContact CG-CE2 3.76Å; L510-F553 HydrophobicContact CG-CZ 4.33Å; L510-Y611 HydrophobicContact CD2-CE1 4.39Å
511	D	32.1	Very low	33	Very low	33 Å²	33	76.6 Å²	76.6	18%	0.176	36%	0.357	C	S	.	.	H	α-helix	trans	-69.8	-35.2	175.7	-164	58	0	0	0	112.1	M507 E508 S514 K515 S605 S608	M507-D511 PolarHBondContact O-N 2.86Å; E508-D511 PolarHBondContact O-N 2.83Å; D511-S514 PolarHBondContact O-OG 3.33Å; D511-S514 VanDerWaalsContact O-OG 3.09Å; D511-K515 WeakPolarHBondContact O-CB 3.42Å; D511-K515 WeakPolarHBondContact O-CD 3.37Å; D511-K515 VanDerWaalsContact O-CG 3.27Å; D511-K515 WeakPolarHBondContact O-CG 3.4Å; D511-K515 PolarHBondContact O-N 3.48Å; D511-K515 VanDerWaalsContact O-N 3.13Å; D511-K515 WeakPolarHBondContact OD2-CE 3.41Å; D511-K515 IonicContact OD2-NZ 2.7Å; D511-K515 PolarHBondContact OD2-NZ 2.97Å; D511-S605 WeakPolarHBondContact OD1-CB 3.45Å; D511-S608 PolarHBondContact OD1-OG 3.26Å
512	I	32.1	Very low	33.3	Very low	89 Å²	89	77.6 Å²	77.6	46%	0.456	37%	0.366	S	S	.	.	H	α-helix	trans	-69.4	-41.7	172.6	-66	165	0	0	0	110.7	E508 K509 K515 K516	E508-I512 HydrophobicContact CG-CD1 4.49Å; E508-I512 VanDerWaalsContact O-CG1 3.29Å; E508-I512 WeakPolarHBondContact O-CG1 3.3Å; E508-I512 PolarHBondContact O-N 3.26Å; K509-I512 PolarHBondContact O-N 2.88Å; I512-K515 PolarHBondContact O-N 3.09Å; I512-K516 HydrophobicContact CG2-CD 4.46Å; I512-K516 WeakPolarHBondContact O-CB 3.45Å; I512-K516 PolarHBondContact O-N 3.32Å; I512-K516 VanDerWaalsContact O-N 3.13Å
513	M	30	Very low	33.5	Very low	43 Å²	43	75 Å²	75	21%	0.212	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-45.5	175.8	-78.9	-159	-99.4	0	0	110.8	K509 L510 K515 K516 F517	K509-M513 HydrophobicContact CD-CE 3.75Å; K509-M513 HydrophobicContact CG-CE 3.79Å; K509-M513 VanDerWaalsContact O-CB 3.27Å; K509-M513 WeakPolarHBondContact O-CB 3.25Å; K509-M513 VanDerWaalsContact O-CG 3.28Å; K509-M513 WeakPolarHBondContact O-CG 3.39Å; K509-M513 PolarHBondContact O-N 3.04Å; L510-M513 PolarHBondContact O-N 3.23Å; M513-K515 VanDerWaalsContact C-N 3.27Å; M513-K515 PolarHBondContact O-N 3.39Å; M513-K516 CarbonylContact O-C 3.58Å; M513-K516 PolarHBondContact O-N 3.45Å; M513-F517 HydrophobicContact CB-CD2 3.9Å; M513-F517 HydrophobicContact CB-CE2 4.04Å; M513-F517 HydrophobicContact CG-CD2 4.3Å; M513-F517 HydrophobicContact CG-CE2 3.91Å; M513-F517 WeakPolarHBondContact O-CB 3.4Å; M513-F517 WeakPolarHBondContact O-CD2 3.36Å; M513-F517 PolarHBondContact O-N 2.88Å; M513-F517 HydrophobicContact SD-CE2 3.98Å
514	S	29	Very low	33.5	Very low	20 Å²	20	75 Å²	75	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-63.9	-31.6	178.4	74.6	0	0	0	0	112.8	L510 D511 S608	L510-S514 VanDerWaalsContact O-CB 3.32Å; L510-S514 WeakPolarHBondContact O-CB 3.4Å; L510-S514 PolarHBondContact O-N 2.83Å; L510-S514 PolarHBondContact O-OG 3Å; D511-S514 PolarHBondContact O-OG 3.33Å; D511-S514 VanDerWaalsContact O-OG 3.09Å; S514-S608 PolarHBondContact OG-OG 3.45Å
515	K	33.1	Very low	33.9	Very low	150 Å²	150	75.5 Å²	75.5	65%	0.652	36%	0.36	S	S	*	.	H	α-helix	trans	-73.4	-26.6	172.4	-75.7	169.5	178.9	158.6	0	113.5	D511 I512 M513	D511-K515 WeakPolarHBondContact O-CB 3.42Å; D511-K515 WeakPolarHBondContact O-CD 3.37Å; D511-K515 VanDerWaalsContact O-CG 3.27Å; D511-K515 WeakPolarHBondContact O-CG 3.4Å; D511-K515 PolarHBondContact O-N 3.48Å; D511-K515 VanDerWaalsContact O-N 3.13Å; D511-K515 WeakPolarHBondContact OD2-CE 3.41Å; D511-K515 IonicContact OD2-NZ 2.7Å; D511-K515 PolarHBondContact OD2-NZ 2.97Å; I512-K515 PolarHBondContact O-N 3.09Å; M513-K515 VanDerWaalsContact C-N 3.27Å; M513-K515 PolarHBondContact O-N 3.39Å
516	K	32.5	Very low	34.2	Very low	167 Å²	167	76 Å²	76	73%	0.726	37%	0.365	S	S	*	.	H	α-helix	trans	-93.1	-28.8	-179.7	-80.9	-174.9	174	-177.4	0	114.1	I512 M513 I518	I512-K516 HydrophobicContact CG2-CD 4.46Å; I512-K516 WeakPolarHBondContact O-CB 3.45Å; I512-K516 PolarHBondContact O-N 3.32Å; I512-K516 VanDerWaalsContact O-N 3.13Å; M513-K516 CarbonylContact O-C 3.58Å; M513-K516 PolarHBondContact O-N 3.45Å; K516-I518 PolarHBondContact O-N 3.23Å
517	F	29.7	Very low	34.1	Very low	56 Å²	56	73.9 Å²	73.9	25%	0.246	36%	0.356	C	S	.	.			trans	-91.5	107.2	-174.5	-77.6	-72.4	0	0	0	112.4	M513 C519 E549	M513-F517 HydrophobicContact CB-CD2 3.9Å; M513-F517 HydrophobicContact CB-CE2 4.04Å; M513-F517 HydrophobicContact CG-CD2 4.3Å; M513-F517 HydrophobicContact CG-CE2 3.91Å; M513-F517 WeakPolarHBondContact O-CB 3.4Å; M513-F517 WeakPolarHBondContact O-CD2 3.36Å; M513-F517 PolarHBondContact O-N 2.88Å; M513-F517 HydrophobicContact SD-CE2 3.98Å; F517-C519 HydrophobicContact CD1-CB 4.07Å; F517-E549 VanDerWaalsContact CZ-OE2 3.24Å; F517-E549 WeakPolarHBondContact CZ-OE2 3.35Å
518	I	35.7	Very low	34.3	Very low	145 Å²	145	76.8 Å²	76.8	74%	0.744	37%	0.367	S	S	*	.			trans	-80	-7	159.9	-64	168.8	0	0	0	110.4	K516 V520	K516-I518 PolarHBondContact O-N 3.23Å; I518-V520 PolarHBondContact O-N 2.88Å
519	C	38.6	Very low	34.6	Very low	32 Å²	32	77.2 Å²	77.2	22%	0.216	37%	0.373	C	S	.	.	H	α-helix	trans	-79.4	-12.2	-161.6	-65.9	0	0	0	0	117.9	F517 N521 Q522 W523	F517-C519 HydrophobicContact CD1-CB 4.07Å; C519-N521 VanDerWaalsContact C-N 3.27Å; C519-N521 PolarHBondContact O-N 2.82Å; C519-Q522 PolarHBondContact O-N 2.74Å; C519-Q522 VanDerWaalsContact O-N 3.15Å; C519-W523 PolarHBondContact O-N 2.87Å
520	V	36.2	Very low	34.8	Very low	15 Å²	15	76.8 Å²	76.8	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-34.1	178.5	-179.9	0	0	0	0	111	I518 Q522 W523 Q524 Y611 D614	I518-V520 PolarHBondContact O-N 2.88Å; V520-Q522 VanDerWaalsContact C-N 3.3Å; V520-Q522 PolarHBondContact O-N 2.99Å; V520-W523 HydrophobicContact CG1-CE3 4.36Å; V520-W523 PolarHBondContact O-N 3.2Å; V520-Q524 HydrophobicContact CG1-CG 4.37Å; V520-Q524 WeakPolarHBondContact O-CB 3.32Å; V520-Q524 WeakPolarHBondContact O-CG 3.39Å; V520-Q524 PolarHBondContact O-N 3.4Å; V520-Y611 HydrophobicContact CB-CE2 4.46Å; V520-Y611 HydrophobicContact CG2-CD2 3.84Å; V520-Y611 HydrophobicContact CG2-CE2 3.23Å; V520-D614 WeakPolarHBondContact CG1-OD2 3.37Å
521	N	36.1	Very low	35.3	Very low	107 Å²	107	81.1 Å²	81.1	57%	0.572	40%	0.395	S	S	*	.	H	α-helix	trans	-63.5	-36	173.1	-69.6	-0.7	0	0	0	112.1	C519 Q525	C519-N521 VanDerWaalsContact C-N 3.27Å; C519-N521 PolarHBondContact O-N 2.82Å; N521-Q525 WeakPolarHBondContact O-CB 3.47Å; N521-Q525 WeakPolarHBondContact O-CG 3.49Å; N521-Q525 PolarHBondContact O-N 3.47Å
522	Q	37.9	Very low	35.4	Very low	108 Å²	108	84.7 Å²	84.7	51%	0.505	41%	0.413	S	S	.	.	H	α-helix	trans	-68.7	-43.8	173.5	-90.9	179.6	-25.2	0	0	111.7	C519 V520 Q525 E526	C519-Q522 PolarHBondContact O-N 2.74Å; C519-Q522 VanDerWaalsContact O-N 3.15Å; V520-Q522 VanDerWaalsContact C-N 3.3Å; V520-Q522 PolarHBondContact O-N 2.99Å; Q522-Q525 PolarHBondContact O-N 3.24Å; Q522-E526 WeakPolarHBondContact O-CG 3.35Å; Q522-E526 PolarHBondContact O-N 2.7Å
523	W	37.7	Very low	35.5	Very low	24 Å²	24	87.8 Å²	87.8	9%	0.091	43%	0.426	C	S	.	.	H	α-helix	trans	-61	-44.4	175.5	176.5	79.5	0	0	0	111.7	C519 V520 E526 V527 S618	C519-W523 PolarHBondContact O-N 2.87Å; V520-W523 HydrophobicContact CG1-CE3 4.36Å; V520-W523 PolarHBondContact O-N 3.2Å; W523-E526 PolarHBondContact O-N 2.91Å; W523-V527 HydrophobicContact CD2-CG2 4.44Å; W523-V527 HydrophobicContact CZ2-CG2 4.14Å; W523-V527 VanDerWaalsContact O-CG2 3.32Å; W523-V527 WeakPolarHBondContact O-CG2 3.42Å; W523-V527 PolarHBondContact O-N 3.15Å; W523-S618 WeakPolarHBondContact CH2-OG 3.44Å; W523-S618 VanDerWaalsContact CZ3-CB 3.41Å; W523-S618 WeakPolarHBondContact CZ3-OG 3.4Å
524	Q	35.1	Very low	35.8	Very low	39 Å²	39	89.5 Å²	89.5	18%	0.182	44%	0.438	C	S	.	.	H	α-helix	trans	-57.9	-52.5	171.2	-81.7	-171.6	-11.6	0	0	109.9	V520 E526 V527 F528 D614	V520-Q524 HydrophobicContact CG1-CG 4.37Å; V520-Q524 WeakPolarHBondContact O-CB 3.32Å; V520-Q524 WeakPolarHBondContact O-CG 3.39Å; V520-Q524 PolarHBondContact O-N 3.4Å; Q524-E526 VanDerWaalsContact C-N 3.3Å; Q524-E526 PolarHBondContact O-N 2.8Å; Q524-V527 CarbonylContact O-C 3.6Å; Q524-V527 PolarHBondContact O-N 3.41Å; Q524-V527 VanDerWaalsContact O-N 3.11Å; Q524-F528 HydrophobicContact CB-CD2 3.76Å; Q524-F528 HydrophobicContact CB-CE2 4.03Å; Q524-F528 HydrophobicContact CG-CD2 4.17Å; Q524-F528 HydrophobicContact CG-CE2 3.92Å; Q524-F528 VanDerWaalsContact O-CB 3.22Å; Q524-F528 WeakPolarHBondContact O-CB 3.45Å; Q524-F528 WeakPolarHBondContact O-CD2 3.13Å; Q524-F528 PolarHBondContact O-N 3.44Å; Q524-D614 PolarHBondContact NE2-OD1 3Å; Q524-D614 PolarHBondContact NE2-OD2 3.08Å
525	Q	39.6	Very low	36	Very low	122 Å²	122	90.4 Å²	90.4	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-59.1	-37.7	178	-76.7	-170.6	-0.6	0	0	113.2	N521 Q522 V527 N529	N521-Q525 WeakPolarHBondContact O-CB 3.47Å; N521-Q525 WeakPolarHBondContact O-CG 3.49Å; N521-Q525 PolarHBondContact O-N 3.47Å; Q522-Q525 PolarHBondContact O-N 3.24Å; Q525-V527 VanDerWaalsContact C-N 3.34Å; Q525-V527 PolarHBondContact O-N 2.8Å; Q525-N529 WeakPolarHBondContact O-CB 3.19Å; Q525-N529 PolarHBondContact O-N 2.93Å; Q525-N529 PolarHBondContact O-ND2 3.13Å
526	E	39.7	Very low	36.2	Very low	82 Å²	82	86.6 Å²	86.6	38%	0.383	43%	0.433	S	S	.	.	H	α-helix	trans	-68.9	-30.4	177.1	-76.2	-171.6	174.8	0	0	113.7	Q522 W523 Q524 K530	Q522-E526 WeakPolarHBondContact O-CG 3.35Å; Q522-E526 PolarHBondContact O-N 2.7Å; W523-E526 PolarHBondContact O-N 2.91Å; Q524-E526 VanDerWaalsContact C-N 3.3Å; Q524-E526 PolarHBondContact O-N 2.8Å; E526-K530 WeakPolarHBondContact O-CG 3.34Å
527	V	32.8	Very low	36.3	Very low	16 Å²	16	82.2 Å²	82.2	10%	0.097	42%	0.42	C	S	.	.	H	α-helix	trans	-85.1	-46.1	176.4	176.4	0	0	0	0	111.2	W523 Q524 Q525 K530 I543 Y621	W523-V527 HydrophobicContact CD2-CG2 4.44Å; W523-V527 HydrophobicContact CZ2-CG2 4.14Å; W523-V527 VanDerWaalsContact O-CG2 3.32Å; W523-V527 WeakPolarHBondContact O-CG2 3.42Å; W523-V527 PolarHBondContact O-N 3.15Å; Q524-V527 CarbonylContact O-C 3.6Å; Q524-V527 PolarHBondContact O-N 3.41Å; Q524-V527 VanDerWaalsContact O-N 3.11Å; Q525-V527 VanDerWaalsContact C-N 3.34Å; Q525-V527 PolarHBondContact O-N 2.8Å; V527-K530 PolarHBondContact O-N 2.94Å; V527-K530 VanDerWaalsContact O-O 3.14Å; V527-I543 HydrophobicContact CG2-CD1 4.35Å; V527-Y621 HydrophobicContact CG1-CE1 4.48Å
528	F	35.5	Very low	36.7	Very low	117 Å²	117	83.5 Å²	83.5	51%	0.513	44%	0.435	S	S	.	.	H	α-helix	trans	-72	-35.4	-178.6	-82.1	-76.1	0	0	0	113.3	Q524 K530 D703	Q524-F528 HydrophobicContact CB-CD2 3.76Å; Q524-F528 HydrophobicContact CB-CE2 4.03Å; Q524-F528 HydrophobicContact CG-CD2 4.17Å; Q524-F528 HydrophobicContact CG-CE2 3.92Å; Q524-F528 VanDerWaalsContact O-CB 3.22Å; Q524-F528 WeakPolarHBondContact O-CB 3.45Å; Q524-F528 WeakPolarHBondContact O-CD2 3.13Å; Q524-F528 PolarHBondContact O-N 3.44Å; F528-K530 PolarHBondContact O-N 3.48Å; F528-D703 WeakPolarHBondContact CE1-OD2 3.4Å
529	N	41.1	Very low	36.9	Very low	129 Å²	129	77.9 Å²	77.9	69%	0.69	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-8.5	175.5	-67.9	-20.8	0	0	0	112.3	Q525	Q525-N529 WeakPolarHBondContact O-CB 3.19Å; Q525-N529 PolarHBondContact O-N 2.93Å; Q525-N529 PolarHBondContact O-ND2 3.13Å
530	K	38.6	Very low	36.6	Very low	95 Å²	95	76.9 Å²	76.9	41%	0.413	40%	0.401	S	S	.	.	S	Bend	trans	-98.1	118.6	174.4	-71.3	-174.2	-179.2	177.5	0	108.8	E526 V527 F528 L532 V535 T539	E526-K530 WeakPolarHBondContact O-CG 3.34Å; V527-K530 PolarHBondContact O-N 2.94Å; V527-K530 VanDerWaalsContact O-O 3.14Å; F528-K530 PolarHBondContact O-N 3.48Å; K530-L532 PolarHBondContact O-N 3.15Å; K530-V535 HydrophobicContact CB-CG2 4.32Å; K530-T539 HydrophobicContact CD-CG2 4.18Å
531	D	38.3	Very low	36.8	Very low	115 Å²	115	85.1 Å²	85.1	62%	0.615	43%	0.43	S	S	*	.			trans	-45.8	125.8	175.9	-150.3	-11.4	0	0	0	109.3	H533 T534	D531-H533 PolarHBondContact O-N 3.35Å; D531-T534 HydrophobicContact CB-CG2 4.4Å; D531-T534 PolarHBondContact O-N 3.17Å; D531-T534 PolarHBondContact O-OG1 3.22Å
532	L	33.6	Very low	37	Very low	108 Å²	108	83.7 Å²	83.7	57%	0.565	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-28.7	-168.6	-130	92.6	0	0	0	112.9	K530 T534 Y621	K530-L532 PolarHBondContact O-N 3.15Å; L532-T534 VanDerWaalsContact C-N 3.31Å; L532-T534 PolarHBondContact O-N 3.49Å; L532-Y621 WeakPolarHBondContact CD1-OH 3.38Å; L532-Y621 WeakPolarHBondContact CG-OH 3.4Å
533	H	35.3	Very low	37	Very low	154 Å²	154	79 Å²	79	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-9	-177.9	-58	-42	0	0	0	114.4	D531	D531-H533 PolarHBondContact O-N 3.35Å
534	T	36.7	Very low	37.1	Very low	78 Å²	78	81.4 Å²	81.4	48%	0.479	42%	0.418	S	S	.	.			trans	-108.4	-6.9	-175.9	63	0	0	0	0	114.6	D531 L532 T536	D531-T534 HydrophobicContact CB-CG2 4.4Å; D531-T534 PolarHBondContact O-N 3.17Å; D531-T534 PolarHBondContact O-OG1 3.22Å; L532-T534 VanDerWaalsContact C-N 3.31Å; L532-T534 PolarHBondContact O-N 3.49Å; T534-T536 PolarHBondContact O-N 3.43Å
535	V	33.4	Very low	37.4	Very low	40 Å²	40	87.6 Å²	87.6	24%	0.242	44%	0.444	C	S	.	.			trans	-73.5	89.4	179.8	-174.5	0	0	0	0	110.4	K530 L540	K530-V535 HydrophobicContact CB-CG2 4.32Å; V535-L540 HydrophobicContact CG1-CD1 4.15Å; V535-L540 HydrophobicContact CG1-CD2 4.05Å; V535-L540 HydrophobicContact CG1-CG 3.83Å
536	T	37.3	Very low	37.5	Very low	70 Å²	70	85.1 Å²	85.1	43%	0.429	44%	0.44	S	S	.	.			trans	-84	157.4	175.2	53.6	0	0	0	0	111.6	T534 S538 T539 L540	T534-T536 PolarHBondContact O-N 3.43Å; T536-S538 PolarHBondContact O-N 3.1Å; T536-S538 VanDerWaalsContact O-N 3.14Å; T536-S538 PolarHBondContact OG1-OG 3.3Å; T536-T539 WeakPolarHBondContact O-CA 3.1Å; T536-T539 VanDerWaalsContact O-CB 3.32Å; T536-T539 WeakPolarHBondContact O-CB 3.15Å; T536-T539 PolarHBondContact O-N 3.48Å; T536-T539 PolarHBondContact OG1-OG1 3.33Å; T536-L540 PolarHBondContact O-N 2.74Å; T536-L540 VanDerWaalsContact O-N 3.13Å
537	T	34.1	Very low	37.5	Very low	75 Å²	75	83.4 Å²	83.4	46%	0.46	43%	0.432	S	S	.	.	H	α-helix	trans	-58.4	-28.2	178.1	-32.9	0	0	0	0	112.7	R541	T537-R541 PolarHBondContact O-N 2.98Å
538	S	38	Very low	37.9	Very low	82 Å²	82	87.7 Å²	87.7	57%	0.573	45%	0.454	S	S	*	.	H	α-helix	trans	-69	-40.3	172.9	50	0	0	0	0	112.2	T536 R541 S542	T536-S538 PolarHBondContact O-N 3.1Å; T536-S538 VanDerWaalsContact O-N 3.14Å; T536-S538 PolarHBondContact OG1-OG 3.3Å; S538-R541 PolarHBondContact O-N 3.32Å; S538-S542 PolarHBondContact O-N 2.97Å
539	T	38.8	Very low	38	Very low	28 Å²	28	88.1 Å²	88.1	17%	0.172	46%	0.457	C	S	.	.	H	α-helix	trans	-61.4	-45.4	175.2	-50.4	0	0	0	0	110.6	K530 T536 R541 S542 I543	K530-T539 HydrophobicContact CD-CG2 4.18Å; T536-T539 WeakPolarHBondContact O-CA 3.1Å; T536-T539 VanDerWaalsContact O-CB 3.32Å; T536-T539 WeakPolarHBondContact O-CB 3.15Å; T536-T539 PolarHBondContact O-N 3.48Å; T536-T539 PolarHBondContact OG1-OG1 3.33Å; T539-R541 PolarHBondContact O-N 2.95Å; T539-S542 VanDerWaalsContact O-CB 3.28Å; T539-S542 WeakPolarHBondContact O-CB 3.27Å; T539-S542 PolarHBondContact O-N 3.22Å; T539-S542 VanDerWaalsContact O-N 3.13Å; T539-I543 HydrophobicContact CG2-CD1 4.19Å; T539-I543 WeakPolarHBondContact O-CG1 3.23Å; T539-I543 PolarHBondContact O-N 3.13Å
540	L	33	Very low	37.8	Very low	11 Å²	11	82.8 Å²	82.8	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-63.7	-40.9	175.1	-72.2	170.7	0	0	0	112.4	V535 T536 S542 I543 F544 T622 I626	V535-L540 HydrophobicContact CG1-CD1 4.15Å; V535-L540 HydrophobicContact CG1-CD2 4.05Å; V535-L540 HydrophobicContact CG1-CG 3.83Å; T536-L540 PolarHBondContact O-N 2.74Å; T536-L540 VanDerWaalsContact O-N 3.13Å; L540-S542 VanDerWaalsContact C-N 3.27Å; L540-S542 PolarHBondContact O-N 3.19Å; L540-I543 PolarHBondContact O-N 3.43Å; L540-F544 HydrophobicContact CB-CD2 4.44Å; L540-F544 HydrophobicContact CB-CE2 4.42Å; L540-F544 WeakPolarHBondContact O-CB 3.43Å; L540-F544 WeakPolarHBondContact O-CD2 3.36Å; L540-F544 PolarHBondContact O-N 2.96Å; L540-T622 HydrophobicContact CD1-CG2 3.88Å; L540-T622 HydrophobicContact CD2-CG2 4.01Å; L540-I626 HydrophobicContact CD1-CD1 3.87Å; L540-I626 HydrophobicContact CD1-CG1 4.04Å
541	R	39.3	Very low	37.7	Very low	187 Å²	187	79.3 Å²	79.3	71%	0.706	42%	0.42	S	S	*	.	H	α-helix	trans	-61.7	-36.1	172.3	-88.5	-174.4	-175	171.4	1.3	112.4	T537 S538 T539 K545	T537-R541 PolarHBondContact O-N 2.98Å; S538-R541 PolarHBondContact O-N 3.32Å; T539-R541 PolarHBondContact O-N 2.95Å; R541-K545 VanDerWaalsContact O-CB 3.25Å; R541-K545 WeakPolarHBondContact O-CB 3.39Å; R541-K545 WeakPolarHBondContact O-CG 3.43Å; R541-K545 PolarHBondContact O-N 3.31Å
542	S	42.1	Very low	37.8	Very low	77 Å²	77	78 Å²	78	54%	0.538	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-44.9	174.9	-169.6	0	0	0	0	110.9	S538 T539 L540 K545 S546	S538-S542 PolarHBondContact O-N 2.97Å; T539-S542 VanDerWaalsContact O-CB 3.28Å; T539-S542 WeakPolarHBondContact O-CB 3.27Å; T539-S542 PolarHBondContact O-N 3.22Å; T539-S542 VanDerWaalsContact O-N 3.13Å; L540-S542 VanDerWaalsContact C-N 3.27Å; L540-S542 PolarHBondContact O-N 3.19Å; S542-K545 WeakPolarHBondContact O-CB 3.36Å; S542-K545 PolarHBondContact O-N 3.07Å; S542-S546 PolarHBondContact O-N 3.35Å; S542-S546 PolarHBondContact O-OG 2.95Å
543	I	37.4	Very low	38	Very low	11 Å²	11	73.8 Å²	73.8	6%	0.056	39%	0.389	C	S	.	.	H	α-helix	trans	-67.9	-42.1	178.7	-63.5	164.7	0	0	0	111.1	V527 T539 L540 K545 S546 H547	V527-I543 HydrophobicContact CG2-CD1 4.35Å; T539-I543 HydrophobicContact CG2-CD1 4.19Å; T539-I543 WeakPolarHBondContact O-CG1 3.23Å; T539-I543 PolarHBondContact O-N 3.13Å; L540-I543 PolarHBondContact O-N 3.43Å; I543-K545 VanDerWaalsContact C-N 3.27Å; I543-K545 PolarHBondContact O-N 3.38Å; I543-S546 WeakPolarHBondContact CA-OG 3.42Å; I543-S546 PolarHBondContact O-N 2.89Å; I543-S546 PolarHBondContact O-OG 3.46Å; I543-H547 PolarHBondContact O-N 3.27Å
544	F	39.3	Very low	38.2	Very low	74 Å²	74	67.7 Å²	67.7	33%	0.325	36%	0.361	S	S	.	.	H	α-helix	trans	-67	-29.2	173.7	-76.5	-58.6	0	0	0	112.6	L540 H547 I548 I554	L540-F544 HydrophobicContact CB-CD2 4.44Å; L540-F544 HydrophobicContact CB-CE2 4.42Å; L540-F544 WeakPolarHBondContact O-CB 3.43Å; L540-F544 WeakPolarHBondContact O-CD2 3.36Å; L540-F544 PolarHBondContact O-N 2.96Å; F544-H547 CarbonylContact O-C 3.59Å; F544-I548 WeakPolarHBondContact O-CA 3.34Å; F544-I548 PolarHBondContact O-N 3.21Å; F544-I548 VanDerWaalsContact O-N 3.16Å; F544-I554 HydrophobicContact CE1-CD1 4.46Å
545	K	42	Very low	38.5	Very low	168 Å²	168	70.5 Å²	70.5	73%	0.73	37%	0.369	S	S	*	.	H	α-helix	trans	-71.9	-34.7	171.3	-87	-173.9	172.2	-170.2	0	112.3	R541 S542 I543	R541-K545 VanDerWaalsContact O-CB 3.25Å; R541-K545 WeakPolarHBondContact O-CB 3.39Å; R541-K545 WeakPolarHBondContact O-CG 3.43Å; R541-K545 PolarHBondContact O-N 3.31Å; S542-K545 WeakPolarHBondContact O-CB 3.36Å; S542-K545 PolarHBondContact O-N 3.07Å; I543-K545 VanDerWaalsContact C-N 3.27Å; I543-K545 PolarHBondContact O-N 3.38Å
546	S	41	Very low	38.8	Very low	70 Å²	70	73.1 Å²	73.1	49%	0.49	38%	0.378	S	S	.	.	H	α-helix	trans	-74.7	-27.5	174.8	58.5	0	0	0	0	112.5	S542 I543	S542-S546 PolarHBondContact O-N 3.35Å; S542-S546 PolarHBondContact O-OG 2.95Å; I543-S546 WeakPolarHBondContact CA-OG 3.42Å; I543-S546 PolarHBondContact O-N 2.89Å; I543-S546 PolarHBondContact O-OG 3.46Å
547	H	39	Very low	38.9	Very low	46 Å²	46	71.5 Å²	71.5	21%	0.213	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	59.2	-179.2	-57.5	-64.7	0	0	0	112.9	I543 F544 E549 I550 G551	I543-H547 PolarHBondContact O-N 3.27Å; F544-H547 CarbonylContact O-C 3.59Å; H547-E549 PolarHBondContact O-N 3.21Å; H547-E549 VanDerWaalsContact O-N 3.09Å; H547-I550 HydrophobicContact CB-CD1 3.99Å; H547-I550 HydrophobicContact CB-CG1 4.33Å; H547-I550 PolarHBondContact O-N 3.03Å; H547-I550 VanDerWaalsContact O-N 3.09Å; H547-G551 PolarHBondContact O-N 2.97Å
548	I	41.6	Very low	39.1	Very low	107 Å²	107	69.6 Å²	69.6	55%	0.549	35%	0.354	S	S	.	.	H	α-helix	trans	-50.9	-36.5	-177.7	-74.4	166.6	0	0	0	112.8	F544 I550 G551 I552	F544-I548 WeakPolarHBondContact O-CA 3.34Å; F544-I548 PolarHBondContact O-N 3.21Å; F544-I548 VanDerWaalsContact O-N 3.16Å; I548-I550 VanDerWaalsContact C-N 3.33Å; I548-I550 PolarHBondContact O-N 3.23Å; I548-G551 PolarHBondContact O-N 3.38Å; I548-I552 HydrophobicContact CG2-CD1 3.73Å; I548-I552 HydrophobicContact CG2-CG1 4.33Å; I548-I552 WeakPolarHBondContact O-CG1 3.49Å; I548-I552 PolarHBondContact O-N 3.16Å
549	E	38.2	Very low	39.3	Very low	125 Å²	125	71.9 Å²	71.9	58%	0.584	35%	0.351	S	S	*	.	H	α-helix	trans	-63.5	-37.1	-176.8	-62	170.9	151.1	0	0	112.4	F517 H547 F553	F517-E549 VanDerWaalsContact CZ-OE2 3.24Å; F517-E549 WeakPolarHBondContact CZ-OE2 3.35Å; H547-E549 PolarHBondContact O-N 3.21Å; H547-E549 VanDerWaalsContact O-N 3.09Å; E549-F553 WeakPolarHBondContact O-CB 3.43Å; E549-F553 PolarHBondContact O-N 3.43Å
550	I	36	Very low	39.3	Very low	17 Å²	17	73.3 Å²	73.3	9%	0.087	36%	0.355	C	S	.	.	H	α-helix	trans	-70.8	-41.1	176.6	-60.4	177.6	0	0	0	110.2	H547 I548 I552 F553 I554	H547-I550 HydrophobicContact CB-CD1 3.99Å; H547-I550 HydrophobicContact CB-CG1 4.33Å; H547-I550 PolarHBondContact O-N 3.03Å; H547-I550 VanDerWaalsContact O-N 3.09Å; I548-I550 VanDerWaalsContact C-N 3.33Å; I548-I550 PolarHBondContact O-N 3.23Å; I550-I552 VanDerWaalsContact C-N 3.32Å; I550-I552 PolarHBondContact O-N 3.03Å; I550-F553 PolarHBondContact O-N 2.89Å; I550-I554 HydrophobicContact CG2-CD1 3.87Å; I550-I554 HydrophobicContact CG2-CG1 4.33Å; I550-I554 WeakPolarHBondContact O-CG1 3.32Å; I550-I554 PolarHBondContact O-N 3.45Å
551	G	38.2	Very low	39.5	Very low	22 Å²	22	73.8 Å²	73.8	23%	0.227	36%	0.358	C	S	.	.	H	α-helix	trans	-59.6	-42.7	176.1	0	0	0	0	0	112.3	H547 I548 H555	H547-G551 PolarHBondContact O-N 2.97Å; I548-G551 PolarHBondContact O-N 3.38Å; G551-H555 WeakPolarHBondContact O-CB 3.26Å; G551-H555 PolarHBondContact O-N 3.29Å; G551-H555 VanDerWaalsContact O-N 3.1Å
552	I	39.8	Very low	39.4	Very low	88 Å²	88	66.8 Å²	66.8	45%	0.451	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-45.7	174.7	-65.5	167.6	0	0	0	110.4	I548 I550 H555 Q556	I548-I552 HydrophobicContact CG2-CD1 3.73Å; I548-I552 HydrophobicContact CG2-CG1 4.33Å; I548-I552 WeakPolarHBondContact O-CG1 3.49Å; I548-I552 PolarHBondContact O-N 3.16Å; I550-I552 VanDerWaalsContact C-N 3.32Å; I550-I552 PolarHBondContact O-N 3.03Å; I552-H555 PolarHBondContact O-N 3.18Å; I552-Q556 HydrophobicContact CG2-CG 4.35Å; I552-Q556 WeakPolarHBondContact O-CG 3.48Å; I552-Q556 PolarHBondContact O-N 3.43Å
553	F	38.5	Very low	39.2	Very low	19 Å²	19	66.5 Å²	66.5	8%	0.083	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-51.1	179.7	172.9	-104.9	0	0	0	112.6	L510 E549 I550 H555 Q556 L557 Y611 C615	L510-F553 HydrophobicContact CD1-CE2 3.93Å; L510-F553 HydrophobicContact CD1-CZ 4.36Å; L510-F553 HydrophobicContact CD2-CD2 4.3Å; L510-F553 HydrophobicContact CD2-CE2 3.36Å; L510-F553 HydrophobicContact CD2-CZ 3.53Å; L510-F553 HydrophobicContact CG-CE2 3.76Å; L510-F553 HydrophobicContact CG-CZ 4.33Å; E549-F553 WeakPolarHBondContact O-CB 3.43Å; E549-F553 PolarHBondContact O-N 3.43Å; I550-F553 PolarHBondContact O-N 2.89Å; F553-H555 VanDerWaalsContact C-N 3.26Å; F553-H555 PolarHBondContact O-N 3.33Å; F553-Q556 PolarHBondContact O-N 3.32Å; F553-L557 HydrophobicContact CE1-CD2 4.38Å; F553-L557 HydrophobicContact CZ-CD1 4.34Å; F553-L557 HydrophobicContact CZ-CD2 4.27Å; F553-L557 WeakPolarHBondContact O-CB 3.11Å; F553-L557 PolarHBondContact O-N 2.95Å; F553-Y611 HydrophobicContact CE1-CE1 4.22Å; F553-C615 HydrophobicContact CE1-CB 4.44Å
554	I	38.8	Very low	39	Very low	26 Å²	26	69 Å²	69	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-39.9	178.3	-68.1	173.9	0	0	0	110.3	F544 I550 N558 H619	F544-I554 HydrophobicContact CE1-CD1 4.46Å; I550-I554 HydrophobicContact CG2-CD1 3.87Å; I550-I554 HydrophobicContact CG2-CG1 4.33Å; I550-I554 WeakPolarHBondContact O-CG1 3.32Å; I550-I554 PolarHBondContact O-N 3.45Å; I554-N558 VanDerWaalsContact O-CB 3.28Å; I554-N558 WeakPolarHBondContact O-CB 3.13Å; I554-N558 PolarHBondContact O-N 2.84Å; I554-N558 PolarHBondContact O-ND2 3.17Å; I554-H619 WeakPolarHBondContact CG2-ND1 3.42Å
555	H	42.9	Very low	38.8	Very low	138 Å²	138	66.8 Å²	66.8	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-66.5	-42.8	179.7	-162.2	6.6	0	0	0	112.4	G551 I552 F553 Y559	G551-H555 WeakPolarHBondContact O-CB 3.26Å; G551-H555 PolarHBondContact O-N 3.29Å; G551-H555 VanDerWaalsContact O-N 3.1Å; I552-H555 PolarHBondContact O-N 3.18Å; F553-H555 VanDerWaalsContact C-N 3.26Å; F553-H555 PolarHBondContact O-N 3.33Å; H555-Y559 WeakPolarHBondContact O-CB 3.28Å; H555-Y559 PolarHBondContact O-N 3.38Å
556	Q	40	Very low	38.5	Very low	95 Å²	95	63.3 Å²	63.3	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-43.4	176.6	-73.7	-176.3	-37.6	0	0	112	I552 F553 Y559 Q560	I552-Q556 HydrophobicContact CG2-CG 4.35Å; I552-Q556 WeakPolarHBondContact O-CG 3.48Å; I552-Q556 PolarHBondContact O-N 3.43Å; F553-Q556 PolarHBondContact O-N 3.32Å; Q556-Y559 WeakPolarHBondContact O-CB 3.41Å; Q556-Y559 PolarHBondContact O-N 3.33Å; Q556-Q560 PolarHBondContact O-N 2.86Å
557	L	38.8	Very low	38.2	Very low	36 Å²	36	64.1 Å²	64.1	19%	0.188	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-46.3	177.4	-167.3	79.2	0	0	0	111	F553 Y559 Q560 I561 L612 F616	F553-L557 HydrophobicContact CE1-CD2 4.38Å; F553-L557 HydrophobicContact CZ-CD1 4.34Å; F553-L557 HydrophobicContact CZ-CD2 4.27Å; F553-L557 WeakPolarHBondContact O-CB 3.11Å; F553-L557 PolarHBondContact O-N 2.95Å; L557-Y559 VanDerWaalsContact C-N 3.28Å; L557-Y559 PolarHBondContact O-N 2.85Å; L557-Q560 PolarHBondContact O-N 3.33Å; L557-I561 HydrophobicContact CD2-CD1 4.27Å; L557-I561 HydrophobicContact CG-CD1 3.83Å; L557-I561 WeakPolarHBondContact O-CB 3.22Å; L557-I561 VanDerWaalsContact O-CG1 3.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.4Å; L557-I561 PolarHBondContact O-N 2.94Å; L557-L612 HydrophobicContact CD1-CD1 4.39Å; L557-L612 HydrophobicContact CD2-CD1 4.23Å; L557-F616 HydrophobicContact CD2-CD1 4.33Å; L557-F616 HydrophobicContact CD2-CE1 3.5Å; L557-F616 VanDerWaalsContact CD2-CE1 3.5Å; L557-F616 HydrophobicContact CD2-CZ 3.66Å; L557-F616 HydrophobicContact CG-CE1 4.32Å; L557-F616 HydrophobicContact CG-CZ 4.36Å
558	N	38.6	Very low	37.8	Very low	34 Å²	34	65.1 Å²	65.1	18%	0.182	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-37.3	174.9	-84.5	-23.4	0	0	0	112.7	I554 S562 H619	I554-N558 VanDerWaalsContact O-CB 3.28Å; I554-N558 WeakPolarHBondContact O-CB 3.13Å; I554-N558 PolarHBondContact O-N 2.84Å; I554-N558 PolarHBondContact O-ND2 3.17Å; N558-S562 VanDerWaalsContact O-CB 3.27Å; N558-S562 WeakPolarHBondContact O-CB 3.17Å; N558-S562 PolarHBondContact O-N 2.81Å; N558-S562 PolarHBondContact O-OG 3.42Å; N558-H619 PolarHBondContact ND2-CE1 3.14Å; N558-H619 PolarHBondContact ND2-NE2 3.16Å
559	Y	42.3	Very low	37.3	Very low	130 Å²	130	65 Å²	65	51%	0.51	32%	0.321	S	S	.	.	H	α-helix	trans	-64.2	-48.3	176.4	-177.7	-95	0	0	0	111.1	H555 Q556 L557 I561 S562 Y563	H555-Y559 WeakPolarHBondContact O-CB 3.28Å; H555-Y559 PolarHBondContact O-N 3.38Å; Q556-Y559 WeakPolarHBondContact O-CB 3.41Å; Q556-Y559 PolarHBondContact O-N 3.33Å; L557-Y559 VanDerWaalsContact C-N 3.28Å; L557-Y559 PolarHBondContact O-N 2.85Å; Y559-I561 PolarHBondContact O-N 3.46Å; Y559-S562 PolarHBondContact O-N 3.32Å; Y559-Y563 PolarHBondContact O-N 3.09Å
560	Q	37.7	Very low	37.1	Very low	58 Å²	58	62.2 Å²	62.2	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-67	-37.1	178.8	-70	-153.1	2.5	0	0	113.2	E506 Q556 L557 Y563 F564	E506-Q560 PolarHBondContact OE2-NE2 3.11Å; Q556-Q560 PolarHBondContact O-N 2.86Å; L557-Q560 PolarHBondContact O-N 3.33Å; Q560-Y563 WeakPolarHBondContact O-CB 3.33Å; Q560-Y563 PolarHBondContact O-N 3.24Å; Q560-F564 PolarHBondContact O-N 3.28Å
561	I	37.5	Very low	36.8	Very low	22 Å²	22	64.8 Å²	64.8	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-39.5	175	-70.4	166.1	0	0	0	110.7	L557 Y559 Y563 F564 F565 F616 I680	L557-I561 HydrophobicContact CD2-CD1 4.27Å; L557-I561 HydrophobicContact CG-CD1 3.83Å; L557-I561 WeakPolarHBondContact O-CB 3.22Å; L557-I561 VanDerWaalsContact O-CG1 3.28Å; L557-I561 WeakPolarHBondContact O-CG1 3.4Å; L557-I561 PolarHBondContact O-N 2.94Å; Y559-I561 PolarHBondContact O-N 3.46Å; I561-Y563 VanDerWaalsContact C-N 3.28Å; I561-Y563 PolarHBondContact O-N 3.38Å; I561-F564 PolarHBondContact O-N 2.94Å; I561-F565 HydrophobicContact CG2-CD2 3.53Å; I561-F565 HydrophobicContact CG2-CE2 3.56Å; I561-F565 WeakPolarHBondContact O-CD2 3.41Å; I561-F565 PolarHBondContact O-N 3.05Å; I561-F616 HydrophobicContact CD1-CE1 3.39Å; I561-F616 HydrophobicContact CD1-CZ 3.66Å; I561-I680 HydrophobicContact CD1-CD1 3.66Å; I561-I680 HydrophobicContact CG1-CD1 4.13Å; I561-I680 HydrophobicContact CG2-CD1 3.86Å
562	S	37.3	Very low	36.3	Very low	39 Å²	39	66.3 Å²	66.3	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-60.8	-41.7	174.7	-62.6	0	0	0	0	110.9	N558 Y559 F565 T566	N558-S562 VanDerWaalsContact O-CB 3.27Å; N558-S562 WeakPolarHBondContact O-CB 3.17Å; N558-S562 PolarHBondContact O-N 2.81Å; N558-S562 PolarHBondContact O-OG 3.42Å; Y559-S562 PolarHBondContact O-N 3.32Å; S562-F565 PolarHBondContact O-N 3.3Å; S562-T566 WeakPolarHBondContact O-CB 3.47Å; S562-T566 PolarHBondContact O-N 3.4Å; S562-T566 PolarHBondContact O-OG1 3.02Å
563	Y	38.5	Very low	35.8	Very low	72 Å²	72	65.2 Å²	65.2	28%	0.282	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-48.1	173.3	-171	-91.6	0	0	0	111.8	Y559 Q560 I561 F565 T566 E567	Y559-Y563 PolarHBondContact O-N 3.09Å; Q560-Y563 WeakPolarHBondContact O-CB 3.33Å; Q560-Y563 PolarHBondContact O-N 3.24Å; I561-Y563 VanDerWaalsContact C-N 3.28Å; I561-Y563 PolarHBondContact O-N 3.38Å; Y563-F565 PolarHBondContact O-N 3.37Å; Y563-T566 PolarHBondContact O-N 3.04Å; Y563-E567 WeakPolarHBondContact O-CB 3.35Å; Y563-E567 PolarHBondContact O-N 3.25Å
564	F	33.5	Very low	35.4	Very low	64 Å²	64	66.9 Å²	66.9	28%	0.281	35%	0.348	S	S	.	.	H	α-helix	trans	-59.7	-44.8	176.5	177.1	-104.6	0	0	0	113	Q560 I561 E567 L568 I594	Q560-F564 PolarHBondContact O-N 3.28Å; I561-F564 PolarHBondContact O-N 2.94Å; F564-E567 PolarHBondContact O-N 3.3Å; F564-L568 HydrophobicContact CD1-CD1 4.29Å; F564-L568 HydrophobicContact CE1-CD1 3.44Å; F564-L568 VanDerWaalsContact CE1-CD1 3.44Å; F564-L568 HydrophobicContact CE2-CD1 4.12Å; F564-L568 HydrophobicContact CZ-CD1 3.35Å; F564-L568 VanDerWaalsContact O-CB 3.29Å; F564-L568 WeakPolarHBondContact O-CB 3.15Å; F564-L568 PolarHBondContact O-N 3.28Å; F564-I594 HydrophobicContact CD2-CD1 4.22Å; F564-I594 HydrophobicContact CE2-CD1 3.49Å; F564-I594 VanDerWaalsContact CE2-CD1 3.49Å; F564-I594 HydrophobicContact CZ-CD1 4.1Å
565	F	34	Very low	34.9	Very low	27 Å²	27	69.4 Å²	69.4	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-68.7	-36.2	177.2	-84.7	-74.2	0	0	0	112.3	I561 S562 Y563 E567 L568 I569 R676 F679 I680	I561-F565 HydrophobicContact CG2-CD2 3.53Å; I561-F565 HydrophobicContact CG2-CE2 3.56Å; I561-F565 WeakPolarHBondContact O-CD2 3.41Å; I561-F565 PolarHBondContact O-N 3.05Å; S562-F565 PolarHBondContact O-N 3.3Å; Y563-F565 PolarHBondContact O-N 3.37Å; F565-E567 VanDerWaalsContact C-N 3.28Å; F565-E567 PolarHBondContact O-N 2.97Å; F565-L568 PolarHBondContact O-N 3.47Å; F565-I569 VanDerWaalsContact O-CB 3.24Å; F565-I569 WeakPolarHBondContact O-CB 3.48Å; F565-I569 WeakPolarHBondContact O-CD1 3.23Å; F565-I569 WeakPolarHBondContact O-CG1 3.27Å; F565-I569 PolarHBondContact O-N 3.27Å; F565-R676 HydrophobicContact CD2-CB 4.34Å; F565-R676 HydrophobicContact CD2-CG 3.64Å; F565-R676 HydrophobicContact CE2-CB 3.75Å; F565-R676 HydrophobicContact CE2-CG 3.47Å; F565-R676 VanDerWaalsContact CE2-CG 3.47Å; F565-R676 HydrophobicContact CG-CG 4.29Å; F565-R676 HydrophobicContact CZ-CB 4.25Å; F565-R676 HydrophobicContact CZ-CG 3.98Å; F565-F679 HydrophobicContact CE1-CD1 4.19Å; F565-F679 HydrophobicContact CE1-CE1 4.47Å; F565-F679 AromaticContact CZ-CD1 3.83Å; F565-F679 HydrophobicContact CZ-CD1 3.83Å; F565-F679 HydrophobicContact CZ-CE1 4.43Å; F565-F679 HydrophobicContact CZ-CG 4.48Å; F565-I680 HydrophobicContact CE2-CD1 4.41Å
566	T	37.4	Very low	34.1	Very low	95 Å²	95	68.9 Å²	68.9	58%	0.583	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-41.4	173.1	-59.6	0	0	0	0	110.7	S562 Y563 S570	S562-T566 WeakPolarHBondContact O-CB 3.47Å; S562-T566 PolarHBondContact O-N 3.4Å; S562-T566 PolarHBondContact O-OG1 3.02Å; Y563-T566 PolarHBondContact O-N 3.04Å; T566-S570 WeakPolarHBondContact O-CB 3.42Å; T566-S570 PolarHBondContact O-N 2.84Å
567	E	34	Very low	33.8	Very low	86 Å²	86	71 Å²	71	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-67.4	-41.2	175.9	-162	176.3	-161.2	0	0	112	Y563 F564 F565 S570 N571	Y563-E567 WeakPolarHBondContact O-CB 3.35Å; Y563-E567 PolarHBondContact O-N 3.25Å; F564-E567 PolarHBondContact O-N 3.3Å; F565-E567 VanDerWaalsContact C-N 3.28Å; F565-E567 PolarHBondContact O-N 2.97Å; E567-S570 WeakPolarHBondContact O-CB 3.44Å; E567-S570 PolarHBondContact O-N 3.41Å; E567-N571 WeakPolarHBondContact O-CB 3.19Å; E567-N571 VanDerWaalsContact O-CG 3.23Å; E567-N571 PolarHBondContact O-N 3.03Å; E567-N571 PolarHBondContact O-ND2 2.8Å
568	L	29.7	Very low	33.3	Very low	68 Å²	68	77.3 Å²	77.3	36%	0.356	40%	0.398	S	S	.	.	H	α-helix	trans	-70.7	-37.2	178.7	-150.7	149.5	0	0	0	111.8	F564 F565 N571 T572	F564-L568 HydrophobicContact CD1-CD1 4.29Å; F564-L568 HydrophobicContact CE1-CD1 3.44Å; F564-L568 VanDerWaalsContact CE1-CD1 3.44Å; F564-L568 HydrophobicContact CE2-CD1 4.12Å; F564-L568 HydrophobicContact CZ-CD1 3.35Å; F564-L568 VanDerWaalsContact O-CB 3.29Å; F564-L568 WeakPolarHBondContact O-CB 3.15Å; F564-L568 PolarHBondContact O-N 3.28Å; F565-L568 PolarHBondContact O-N 3.47Å; L568-N571 PolarHBondContact O-N 2.86Å; L568-T572 HydrophobicContact CD2-CG2 4.11Å; L568-T572 WeakPolarHBondContact O-CB 3.43Å; L568-T572 PolarHBondContact O-N 2.63Å; L568-T572 PolarHBondContact O-OG1 3.01Å
569	I	32.2	Very low	32.8	Very low	104 Å²	104	81.2 Å²	81.2	53%	0.533	42%	0.424	S	S	.	.	H	α-helix	trans	-68.4	-43.5	172.9	-68.9	165.8	0	0	0	110.2	F565 N571 T572 S573	F565-I569 VanDerWaalsContact O-CB 3.24Å; F565-I569 WeakPolarHBondContact O-CB 3.48Å; F565-I569 WeakPolarHBondContact O-CD1 3.23Å; F565-I569 WeakPolarHBondContact O-CG1 3.27Å; F565-I569 PolarHBondContact O-N 3.27Å; I569-N571 VanDerWaalsContact C-N 3.33Å; I569-N571 PolarHBondContact O-N 2.83Å; I569-T572 VanDerWaalsContact CA-OG1 3.3Å; I569-T572 WeakPolarHBondContact CA-OG1 3.18Å; I569-T572 PolarHBondContact O-N 3.38Å; I569-T572 PolarHBondContact O-OG1 3.24Å; I569-S573 WeakPolarHBondContact O-CB 3.46Å; I569-S573 PolarHBondContact O-N 2.96Å; I569-S573 PolarHBondContact O-OG 2.87Å
570	S	34.5	Very low	32.2	Very low	67 Å²	67	80.9 Å²	80.9	47%	0.469	44%	0.435	S	S	.	.	H	α-helix	trans	-54.8	-50.7	171.6	168.7	0	0	0	0	110.6	T566 E567 S573 S574	T566-S570 WeakPolarHBondContact O-CB 3.42Å; T566-S570 PolarHBondContact O-N 2.84Å; E567-S570 WeakPolarHBondContact O-CB 3.44Å; E567-S570 PolarHBondContact O-N 3.41Å; S570-S573 PolarHBondContact O-N 3.43Å; S570-S573 PolarHBondContact O-OG 3.19Å; S570-S574 PolarHBondContact O-N 3.07Å
571	N	29.7	Very low	31.7	Very low	71 Å²	71	84.8 Å²	84.8	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-69.7	-38.4	-179	-70.2	-14.1	0	0	0	112.2	E567 L568 I569 S574 I575	E567-N571 WeakPolarHBondContact O-CB 3.19Å; E567-N571 VanDerWaalsContact O-CG 3.23Å; E567-N571 PolarHBondContact O-N 3.03Å; E567-N571 PolarHBondContact O-ND2 2.8Å; L568-N571 PolarHBondContact O-N 2.86Å; I569-N571 VanDerWaalsContact C-N 3.33Å; I569-N571 PolarHBondContact O-N 2.83Å; N571-S574 WeakPolarHBondContact O-CB 3.42Å; N571-S574 PolarHBondContact O-N 3Å; N571-S574 PolarHBondContact O-OG 3.24Å; N571-I575 VanDerWaalsContact O-CG1 3.27Å; N571-I575 WeakPolarHBondContact O-CG1 3.4Å; N571-I575 PolarHBondContact O-N 3.36Å
572	T	26.6	Very low	31.3	Very low	53 Å²	53	91.5 Å²	91.5	33%	0.325	49%	0.494	S	S	.	.	H	α-helix	trans	-70.8	-31.2	175.9	40.5	0	0	0	0	112.8	L568 I569 S574 I575 L576	L568-T572 HydrophobicContact CD2-CG2 4.11Å; L568-T572 WeakPolarHBondContact O-CB 3.43Å; L568-T572 PolarHBondContact O-N 2.63Å; L568-T572 PolarHBondContact O-OG1 3.01Å; I569-T572 VanDerWaalsContact CA-OG1 3.3Å; I569-T572 WeakPolarHBondContact CA-OG1 3.18Å; I569-T572 PolarHBondContact O-N 3.38Å; I569-T572 PolarHBondContact O-OG1 3.24Å; T572-S574 VanDerWaalsContact C-N 3.26Å; T572-S574 PolarHBondContact O-N 2.99Å; T572-I575 CarbonylContact O-C 3.5Å; T572-I575 PolarHBondContact O-N 3.28Å; T572-I575 VanDerWaalsContact O-N 3.1Å; T572-L576 WeakPolarHBondContact O-CB 3.45Å; T572-L576 PolarHBondContact O-N 3.05Å
573	S	28.8	Very low	30.9	Very low	65 Å²	65	96.9 Å²	96.9	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-63.5	-34.8	169.9	72.6	0	0	0	0	111.9	I569 S570 I575 N577	I569-S573 WeakPolarHBondContact O-CB 3.46Å; I569-S573 PolarHBondContact O-N 2.96Å; I569-S573 PolarHBondContact O-OG 2.87Å; S570-S573 PolarHBondContact O-N 3.43Å; S570-S573 PolarHBondContact O-OG 3.19Å; S573-I575 VanDerWaalsContact C-N 3.35Å; S573-N577 PolarHBondContact O-N 3.48Å
574	S	31.5	Very low	30.4	Very low	54 Å²	54	100.2 Å²	100.2	38%	0.378	55%	0.548	S	S	.	.	H	α-helix	trans	-69.5	-32	171.7	87.8	0	0	0	0	112.7	S570 N571 T572 R578	S570-S574 PolarHBondContact O-N 3.07Å; N571-S574 WeakPolarHBondContact O-CB 3.42Å; N571-S574 PolarHBondContact O-N 3Å; N571-S574 PolarHBondContact O-OG 3.24Å; T572-S574 VanDerWaalsContact C-N 3.26Å; T572-S574 PolarHBondContact O-N 2.99Å; S574-R578 WeakPolarHBondContact O-CG 3.41Å; S574-R578 PolarHBondContact O-N 3.48Å
575	I	27	Very low	30.2	Very low	79 Å²	79	108.1 Å²	108.1	41%	0.405	58%	0.576	S	S	.	*	H	α-helix	trans	-81.3	-37.4	-179.9	-65.8	163	0	0	0	112	N571 T572 S573 N577 R578 T579	N571-I575 VanDerWaalsContact O-CG1 3.27Å; N571-I575 WeakPolarHBondContact O-CG1 3.4Å; N571-I575 PolarHBondContact O-N 3.36Å; T572-I575 CarbonylContact O-C 3.5Å; T572-I575 PolarHBondContact O-N 3.28Å; T572-I575 VanDerWaalsContact O-N 3.1Å; S573-I575 VanDerWaalsContact C-N 3.35Å; I575-N577 VanDerWaalsContact C-N 3.3Å; I575-N577 PolarHBondContact O-N 2.83Å; I575-R578 CarbonylContact O-C 3.37Å; I575-R578 WeakPolarHBondContact O-CA 3.27Å; I575-R578 WeakPolarHBondContact O-CB 3.5Å; I575-R578 PolarHBondContact O-N 3.31Å; I575-T579 PolarHBondContact O-N 2.6Å
576	L	26.6	Very low	29.9	Very low	128 Å²	128	113 Å²	113	67%	0.67	61%	0.608	S	S	*	*	H	α-helix	trans	-67.9	-31	174.1	-103.2	120.9	0	0	0	111.7	T572 R578 T579	T572-L576 WeakPolarHBondContact O-CB 3.45Å; T572-L576 PolarHBondContact O-N 3.05Å; L576-R578 PolarHBondContact O-N 3.37Å; L576-T579 PolarHBondContact O-OG1 3.03Å
577	N	33.9	Very low	29.4	Very low	140 Å²	140	114.2 Å²	114.2	75%	0.749	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-10.5	168.3	-75.6	-16.4	0	0	0	113	S573 I575	S573-N577 PolarHBondContact O-N 3.48Å; I575-N577 VanDerWaalsContact C-N 3.3Å; I575-N577 PolarHBondContact O-N 2.83Å
578	R	28.4	Very low	29.1	Very low	168 Å²	168	117.4 Å²	117.4	63%	0.634	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-5.9	179	-84.5	179.8	176.8	-175.3	1.4	114.8	S574 I575 L576 T580 N581	S574-R578 WeakPolarHBondContact O-CG 3.41Å; S574-R578 PolarHBondContact O-N 3.48Å; I575-R578 CarbonylContact O-C 3.37Å; I575-R578 WeakPolarHBondContact O-CA 3.27Å; I575-R578 WeakPolarHBondContact O-CB 3.5Å; I575-R578 PolarHBondContact O-N 3.31Å; L576-R578 PolarHBondContact O-N 3.37Å; R578-T580 PolarHBondContact O-N 3.41Å; R578-N581 PolarHBondContact O-N 3.29Å; R578-N581 VanDerWaalsContact O-N 3.09Å
579	T	27	Very low	29.3	Very low	116 Å²	116	123 Å²	123	71%	0.712	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	8.1	-178.3	25.3	0	0	0	0	115.9	I575 L576	I575-T579 PolarHBondContact O-N 2.6Å; L576-T579 PolarHBondContact O-OG1 3.03Å
580	T	30.4	Very low	29.4	Very low	123 Å²	123	124.2 Å²	124.2	76%	0.755	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-7	167	37	0	0	0	0	115.5	R578	R578-T580 PolarHBondContact O-N 3.41Å
581	N	28.4	Very low	29.3	Very low	139 Å²	139	127 Å²	127	74%	0.743	66%	0.658	S	S	*	*	S	Bend	trans	-124.8	101.5	179	-80.1	-27.5	0	0	0	112.6	R578 N583	R578-N581 PolarHBondContact O-N 3.29Å; R578-N581 VanDerWaalsContact O-N 3.09Å; N581-N583 PolarHBondContact O-N 2.88Å
582	N	28.5	Very low	29.7	Very low	163 Å²	163	127.3 Å²	127.3	87%	0.872	66%	0.659	S	S	*	*			trans	-41.2	101.7	159.6	-76.1	-26.7	0	0	0	110.2
583	N	27.6	Very low	30.4	Very low	152 Å²	152	128.8 Å²	128.8	81%	0.813	66%	0.659	S	S	*	*			trans	-156.9	84.3	153.6	-91.5	-28.1	0	0	0	107.8	N581 R585	N581-N583 PolarHBondContact O-N 2.88Å; N583-R585 VanDerWaalsContact C-N 3.31Å; N583-R585 PolarHBondContact O-N 3.32Å
584	T	29.9	Very low	30.7	Very low	142 Å²	142	127.5 Å²	127.5	87%	0.871	65%	0.647	S	S	*	*			trans	-58.6	93.6	156.6	40	0	0	0	0	108.7
585	R	27.7	Very low	31.1	Very low	231 Å²	231	129.9 Å²	129.9	87%	0.872	65%	0.65	S	S	*	*			trans	-165.1	132.7	150.8	-110.4	162.5	-171.1	-177.8	2.4	111.6	N583	N583-R585 VanDerWaalsContact C-N 3.31Å; N583-R585 PolarHBondContact O-N 3.32Å
586	T	28.7	Very low	31.7	Very low	130 Å²	130	130.8 Å²	130.8	80%	0.798	65%	0.653	S	S	*	*			trans	71.4	56.1	162.1	60.5	0	0	0	0	118.2
587	I	26.8	Very low	32.2	Very low	119 Å²	119	126 Å²	126	61%	0.61	63%	0.627	S	S	*	*			trans	-99	75.5	147.1	-54.2	171.1	0	0	0	106.3
588	H	28.2	Very low	32.5	Very low	153 Å²	153	120.5 Å²	120.5	71%	0.708	60%	0.597	S	S	*	*			trans	-140.8	1	177.2	-86.8	-41.3	0	0	0	115
589	Q	32.6	Very low	33.2	Very low	185 Å²	185	116.9 Å²	116.9	86%	0.864	59%	0.588	S	S	*	*	S	Bend	trans	-105.8	-27.5	178.9	-74.7	-174.6	-19	0	0	114.4
590	E	34.8	Very low	33.8	Very low	130 Å²	130	117.4 Å²	117.4	61%	0.607	58%	0.577	S	S	*	*	S	Bend	trans	-81.6	-26.9	179.9	-71.1	-176.5	162.9	0	0	113.8	D592 W593	E590-D592 PolarHBondContact O-N 2.84Å; E590-W593 PolarHBondContact O-NE1 3.21Å
591	E	32.5	Very low	33.9	Very low	127 Å²	127	112.8 Å²	112.8	59%	0.593	55%	0.547	S	S	*	.	S	Bend	trans	-72.9	-16.8	180	-68.3	-171.1	156.3	0	0	113.7	K595	E591-K595 PolarHBondContact O-N 2.93Å
592	D	38.6	Very low	34.4	Very low	76 Å²	76	107.4 Å²	107.4	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-81.6	-24.7	-162.3	-137.5	28.8	0	0	0	113.1	E590 Q596	E590-D592 PolarHBondContact O-N 2.84Å; D592-Q596 VanDerWaalsContact O-CB 3.25Å; D592-Q596 WeakPolarHBondContact O-CB 3.21Å; D592-Q596 WeakPolarHBondContact O-CG 3.5Å; D592-Q596 PolarHBondContact O-N 3.04Å; D592-Q596 PolarHBondContact OD2-NE2 3.25Å
593	W	40.6	Very low	34.9	Very low	85 Å²	85	105.3 Å²	105.3	32%	0.322	51%	0.506	S	S	.	.	H	α-helix	trans	-77.5	-38.4	-177.9	73.6	-90.4	0	0	0	113.1	E590 K595 Q596 I597	E590-W593 PolarHBondContact O-NE1 3.21Å; W593-K595 VanDerWaalsContact C-N 3.33Å; W593-Q596 PolarHBondContact O-N 3.15Å; W593-I597 HydrophobicContact CE3-CD1 3.46Å; W593-I597 VanDerWaalsContact CE3-CD1 3.46Å; W593-I597 HydrophobicContact CE3-CG1 4.33Å; W593-I597 HydrophobicContact CZ3-CD1 3.57Å; W593-I597 WeakPolarHBondContact O-CG1 3.5Å; W593-I597 PolarHBondContact O-N 3.44Å
594	I	35.4	Very low	35.5	Very low	38 Å²	38	105.6 Å²	105.6	20%	0.195	50%	0.499	C	S	.	.	H	α-helix	trans	-64.9	-44.6	173.4	-61.4	-179.8	0	0	0	108.7	F564 Q596 I597 I598 W683	F564-I594 HydrophobicContact CD2-CD1 4.22Å; F564-I594 HydrophobicContact CE2-CD1 3.49Å; F564-I594 VanDerWaalsContact CE2-CD1 3.49Å; F564-I594 HydrophobicContact CZ-CD1 4.1Å; I594-Q596 VanDerWaalsContact C-N 3.31Å; I594-Q596 PolarHBondContact O-N 2.91Å; I594-I597 PolarHBondContact O-N 3.35Å; I594-I598 HydrophobicContact CG2-CD1 3.72Å; I594-I598 HydrophobicContact CG2-CG1 4.29Å; I594-I598 WeakPolarHBondContact O-CB 3.45Å; I594-I598 WeakPolarHBondContact O-CG1 3.46Å; I594-I598 PolarHBondContact O-N 3.45Å; I594-W683 HydrophobicContact CG2-CH2 3.99Å
595	K	38.8	Very low	36.1	Very low	104 Å²	104	99.8 Å²	99.8	45%	0.452	47%	0.465	S	S	.	.	H	α-helix	trans	-56.6	-46.9	174.1	-165.7	176.2	-177.4	178.8	0	110.4	E591 W593 I598 H599	E591-K595 PolarHBondContact O-N 2.93Å; W593-K595 VanDerWaalsContact C-N 3.33Å; K595-I598 PolarHBondContact O-N 3.32Å; K595-H599 WeakPolarHBondContact O-CB 3.42Å; K595-H599 PolarHBondContact O-N 3.1Å
596	Q	39.9	Very low	37.1	Very low	98 Å²	98	94.2 Å²	94.2	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-63.7	-38.9	176.3	-77.5	173.7	34.1	0	0	113.6	D592 W593 I594 R600	D592-Q596 VanDerWaalsContact O-CB 3.25Å; D592-Q596 WeakPolarHBondContact O-CB 3.21Å; D592-Q596 WeakPolarHBondContact O-CG 3.5Å; D592-Q596 PolarHBondContact O-N 3.04Å; D592-Q596 PolarHBondContact OD2-NE2 3.25Å; W593-Q596 PolarHBondContact O-N 3.15Å; I594-Q596 VanDerWaalsContact C-N 3.31Å; I594-Q596 PolarHBondContact O-N 2.91Å; Q596-R600 WeakPolarHBondContact O-CB 3.33Å; Q596-R600 VanDerWaalsContact O-CG 3.3Å; Q596-R600 WeakPolarHBondContact O-CG 3.42Å; Q596-R600 PolarHBondContact O-N 2.65Å
597	I	37.8	Very low	37.9	Very low	26 Å²	26	95.7 Å²	95.7	13%	0.133	44%	0.442	C	S	.	.	H	α-helix	trans	-67.7	-48.9	177.3	-72.2	177.9	0	0	0	109.9	W593 I594 H599 R600 I601	W593-I597 HydrophobicContact CE3-CD1 3.46Å; W593-I597 VanDerWaalsContact CE3-CD1 3.46Å; W593-I597 HydrophobicContact CE3-CG1 4.33Å; W593-I597 HydrophobicContact CZ3-CD1 3.57Å; W593-I597 WeakPolarHBondContact O-CG1 3.5Å; W593-I597 PolarHBondContact O-N 3.44Å; I594-I597 PolarHBondContact O-N 3.35Å; I597-H599 VanDerWaalsContact C-N 3.3Å; I597-H599 PolarHBondContact O-N 2.88Å; I597-R600 CarbonylContact O-C 3.27Å; I597-R600 WeakPolarHBondContact O-CA 3.45Å; I597-R600 WeakPolarHBondContact O-CB 3.45Å; I597-R600 PolarHBondContact O-N 3.02Å; I597-I601 HydrophobicContact CG2-CD1 4.22Å; I597-I601 VanDerWaalsContact O-CG1 3.32Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 3.21Å
598	I	39.6	Very low	38.7	Very low	25 Å²	25	90.6 Å²	90.6	13%	0.128	42%	0.417	C	S	.	.	H	α-helix	trans	-64.8	-39.7	178.7	-64.9	176.7	0	0	0	110.4	I594 K595 R600 I601 I602 W683 L684 Y688	I594-I598 HydrophobicContact CG2-CD1 3.72Å; I594-I598 HydrophobicContact CG2-CG1 4.29Å; I594-I598 WeakPolarHBondContact O-CB 3.45Å; I594-I598 WeakPolarHBondContact O-CG1 3.46Å; I594-I598 PolarHBondContact O-N 3.45Å; K595-I598 PolarHBondContact O-N 3.32Å; I598-R600 VanDerWaalsContact C-N 3.29Å; I598-R600 PolarHBondContact O-N 2.89Å; I598-I601 HydrophobicContact CG1-CD1 4.4Å; I598-I601 PolarHBondContact O-N 3.43Å; I598-I601 VanDerWaalsContact O-N 3.15Å; I598-I602 HydrophobicContact CG2-CD1 3.82Å; I598-I602 HydrophobicContact CG2-CG1 4.38Å; I598-I602 WeakPolarHBondContact O-CB 3.49Å; I598-I602 VanDerWaalsContact O-CG1 3.23Å; I598-I602 WeakPolarHBondContact O-CG1 3.24Å; I598-I602 PolarHBondContact O-N 2.92Å; I598-W683 HydrophobicContact CD1-CH2 3.6Å; I598-W683 HydrophobicContact CD1-CZ3 3.34Å; I598-L684 HydrophobicContact CD1-CD2 4.05Å; I598-L684 HydrophobicContact CG2-CD2 3.84Å; I598-Y688 HydrophobicContact CG2-CD2 4.33Å; I598-Y688 HydrophobicContact CG2-CE2 3.59Å
599	H	43.4	Very low	39.8	Very low	92 Å²	92	83.7 Å²	83.7	43%	0.426	39%	0.386	S	S	.	.	H	α-helix	trans	-60.1	-39.5	171.9	-161.1	71.1	0	0	0	111.6	K595 I597 I602 I603 Y688	K595-H599 WeakPolarHBondContact O-CB 3.42Å; K595-H599 PolarHBondContact O-N 3.1Å; I597-H599 VanDerWaalsContact C-N 3.3Å; I597-H599 PolarHBondContact O-N 2.88Å; H599-I602 WeakPolarHBondContact O-CB 3.35Å; H599-I602 PolarHBondContact O-N 3.06Å; H599-I603 WeakPolarHBondContact CD2-CD1 3.38Å; H599-I603 WeakPolarHBondContact NE2-CD1 3.44Å; H599-I603 WeakPolarHBondContact O-CB 3.49Å; H599-I603 WeakPolarHBondContact O-CD1 2.94Å; H599-I603 WeakPolarHBondContact O-CG1 3.13Å; H599-I603 PolarHBondContact O-N 3.39Å; H599-Y688 AromaticContact ND1-CE1 3.87Å
600	R	40	Very low	40.7	Very low	128 Å²	128	75.6 Å²	75.6	48%	0.483	35%	0.348	S	S	.	.	H	α-helix	trans	-65.9	-39.7	173.2	-81.2	179.9	-179.8	-153	-0.4	112.8	Q596 I597 I598 I602 I603 K604	Q596-R600 WeakPolarHBondContact O-CB 3.33Å; Q596-R600 VanDerWaalsContact O-CG 3.3Å; Q596-R600 WeakPolarHBondContact O-CG 3.42Å; Q596-R600 PolarHBondContact O-N 2.65Å; I597-R600 CarbonylContact O-C 3.27Å; I597-R600 WeakPolarHBondContact O-CA 3.45Å; I597-R600 WeakPolarHBondContact O-CB 3.45Å; I597-R600 PolarHBondContact O-N 3.02Å; I598-R600 VanDerWaalsContact C-N 3.29Å; I598-R600 PolarHBondContact O-N 2.89Å; R600-I602 VanDerWaalsContact C-N 3.32Å; R600-I603 PolarHBondContact O-N 2.89Å; R600-K604 WeakPolarHBondContact O-CB 3.36Å; R600-K604 VanDerWaalsContact O-CG 3.27Å; R600-K604 WeakPolarHBondContact O-CG 3.37Å; R600-K604 PolarHBondContact O-N 3.4Å
601	I	33.2	Very low	41.5	Very low	25 Å²	25	70.8 Å²	70.8	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-43.6	174.6	-55.5	159.1	0	0	0	109.5	M507 I597 I598 I603 K604 S605 I609	M507-I601 HydrophobicContact CE-CD1 3.06Å; M507-I601 HydrophobicContact CE-CG1 3.71Å; I597-I601 HydrophobicContact CG2-CD1 4.22Å; I597-I601 VanDerWaalsContact O-CG1 3.32Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 3.21Å; I598-I601 HydrophobicContact CG1-CD1 4.4Å; I598-I601 PolarHBondContact O-N 3.43Å; I598-I601 VanDerWaalsContact O-N 3.15Å; I601-I603 VanDerWaalsContact C-N 3.35Å; I601-I603 PolarHBondContact O-N 3.19Å; I601-K604 PolarHBondContact O-N 3.49Å; I601-S605 PolarHBondContact O-N 3.1Å; I601-I609 HydrophobicContact CB-CD1 4.41Å; I601-I609 HydrophobicContact CB-CG1 4.46Å; I601-I609 HydrophobicContact CG2-CD1 3.97Å; I601-I609 HydrophobicContact CG2-CG1 3.65Å
602	I	37.9	Very low	42.4	Very low	27 Å²	27	66 Å²	66	14%	0.138	30%	0.303	C	S	.	.	H	α-helix	trans	-57.1	-49.1	177.2	-77.5	168.8	0	0	0	111.1	I598 H599 R600 K604 I609 Y688 Y690	I598-I602 HydrophobicContact CG2-CD1 3.82Å; I598-I602 HydrophobicContact CG2-CG1 4.38Å; I598-I602 WeakPolarHBondContact O-CB 3.49Å; I598-I602 VanDerWaalsContact O-CG1 3.23Å; I598-I602 WeakPolarHBondContact O-CG1 3.24Å; I598-I602 PolarHBondContact O-N 2.92Å; H599-I602 WeakPolarHBondContact O-CB 3.35Å; H599-I602 PolarHBondContact O-N 3.06Å; R600-I602 VanDerWaalsContact C-N 3.32Å; I602-K604 VanDerWaalsContact C-N 3.35Å; I602-I609 HydrophobicContact CB-CD1 3.87Å; I602-I609 HydrophobicContact CD1-CD1 4.37Å; I602-I609 HydrophobicContact CG1-CD1 3.14Å; I602-I609 HydrophobicContact CG1-CG1 4.41Å; I602-Y688 HydrophobicContact CD1-CD1 3.31Å; I602-Y688 HydrophobicContact CD1-CD2 3.23Å; I602-Y688 HydrophobicContact CD1-CE1 3.24Å; I602-Y688 HydrophobicContact CD1-CE2 3.17Å; I602-Y688 HydrophobicContact CD1-CG 3.27Å; I602-Y690 WeakPolarHBondContact CG1-OH 3.47Å; I602-Y690 WeakPolarHBondContact CG2-OH 3.43Å
603	I	38.8	Very low	43.3	Very low	119 Å²	119	62.4 Å²	62.4	61%	0.61	28%	0.283	S	S	*	.	H	α-helix	trans	-66.7	-39.5	178.5	-69.2	166.4	0	0	0	110.6	H599 R600 I601	H599-I603 WeakPolarHBondContact CD2-CD1 3.38Å; H599-I603 WeakPolarHBondContact NE2-CD1 3.44Å; H599-I603 WeakPolarHBondContact O-CB 3.49Å; H599-I603 WeakPolarHBondContact O-CD1 2.94Å; H599-I603 WeakPolarHBondContact O-CG1 3.13Å; H599-I603 PolarHBondContact O-N 3.39Å; R600-I603 PolarHBondContact O-N 2.89Å; I601-I603 VanDerWaalsContact C-N 3.35Å; I601-I603 PolarHBondContact O-N 3.19Å
604	K	39.5	Very low	44	Very low	157 Å²	157	59 Å²	59	68%	0.683	27%	0.272	S	S	*	.	H	α-helix	trans	-82.5	-32.4	-170.9	-76.6	-169.7	171.1	-163.4	0	114.8	R600 I601 I602	R600-K604 WeakPolarHBondContact O-CB 3.36Å; R600-K604 VanDerWaalsContact O-CG 3.27Å; R600-K604 WeakPolarHBondContact O-CG 3.37Å; R600-K604 PolarHBondContact O-N 3.4Å; I601-K604 PolarHBondContact O-N 3.49Å; I602-K604 VanDerWaalsContact C-N 3.35Å
605	S	43.2	Very low	44.9	Very low	20 Å²	20	57.7 Å²	57.7	14%	0.14	27%	0.266	C	S	.	.			trans	-163	106.8	-178.5	-179.9	0	0	0	0	113.4	D511 I601 K607 S608	D511-S605 WeakPolarHBondContact OD1-CB 3.45Å; I601-S605 PolarHBondContact O-N 3.1Å; S605-K607 PolarHBondContact O-N 3.45Å; S605-K607 PolarHBondContact OG-N 3.22Å; S605-S608 VanDerWaalsContact CB-OG 3.27Å; S605-S608 WeakPolarHBondContact CB-OG 3.17Å; S605-S608 PolarHBondContact O-N 3.41Å; S605-S608 VanDerWaalsContact O-N 3.14Å; S605-S608 PolarHBondContact OG-N 3Å; S605-S608 PolarHBondContact OG-OG 2.88Å
606	K	48	Very low	45.8	Very low	114 Å²	114	53.3 Å²	53.3	50%	0.496	25%	0.247	S	C	.	.	H	α-helix	trans	-49.3	-40.9	167	-174.1	-170.6	179.9	-155	0	112.1	I609 L610 L694 E698	K606-I609 PolarHBondContact O-N 3.24Å; K606-L610 HydrophobicContact CG-CD1 4.31Å; K606-L610 PolarHBondContact O-N 2.89Å; K606-L694 HydrophobicContact CD-CD2 4.3Å; K606-L694 HydrophobicContact CG-CD1 4.19Å; K606-L694 HydrophobicContact CG-CD2 4.32Å; K606-E698 WeakPolarHBondContact CE-OE1 3.49Å; K606-E698 IonicContact NZ-OE1 2.72Å; K606-E698 PolarHBondContact NZ-OE1 3.36Å
607	K	45.8	Very low	46.7	Very low	161 Å²	161	49.4 Å²	49.4	70%	0.7	23%	0.229	S	C	*	.	H	α-helix	trans	-65.4	-39.1	-179.6	-70.4	-173.8	176.8	-174.9	0	112.7	S605 I609 L610 Y611	S605-K607 PolarHBondContact O-N 3.45Å; S605-K607 PolarHBondContact OG-N 3.22Å; K607-I609 VanDerWaalsContact C-N 3.27Å; K607-I609 PolarHBondContact O-N 3.42Å; K607-L610 PolarHBondContact O-N 3.42Å; K607-Y611 WeakPolarHBondContact O-CB 3.46Å; K607-Y611 PolarHBondContact O-N 3.24Å
608	S	45.3	Very low	47.6	Very low	13 Å²	13	48.9 Å²	48.9	9%	0.091	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-30.3	-176.9	-59.3	0	0	0	0	112	D511 S514 S605 L612	D511-S608 PolarHBondContact OD1-OG 3.26Å; S514-S608 PolarHBondContact OG-OG 3.45Å; S605-S608 VanDerWaalsContact CB-OG 3.27Å; S605-S608 WeakPolarHBondContact CB-OG 3.17Å; S605-S608 PolarHBondContact O-N 3.41Å; S605-S608 VanDerWaalsContact O-N 3.14Å; S605-S608 PolarHBondContact OG-N 3Å; S605-S608 PolarHBondContact OG-OG 2.88Å; S608-L612 WeakPolarHBondContact O-CB 3.18Å; S608-L612 PolarHBondContact O-N 2.91Å; S608-L612 VanDerWaalsContact O-N 3.09Å
609	I	51	Low	48.5	Very low	8 Å²	8	49.2 Å²	49.2	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-79.8	-41.1	175.6	-73.6	154.6	0	0	0	112.5	I601 I602 K606 K607 Y611 L612 L613 L691	I601-I609 HydrophobicContact CB-CD1 4.41Å; I601-I609 HydrophobicContact CB-CG1 4.46Å; I601-I609 HydrophobicContact CG2-CD1 3.97Å; I601-I609 HydrophobicContact CG2-CG1 3.65Å; I602-I609 HydrophobicContact CB-CD1 3.87Å; I602-I609 HydrophobicContact CD1-CD1 4.37Å; I602-I609 HydrophobicContact CG1-CD1 3.14Å; I602-I609 HydrophobicContact CG1-CG1 4.41Å; K606-I609 PolarHBondContact O-N 3.24Å; K607-I609 VanDerWaalsContact C-N 3.27Å; K607-I609 PolarHBondContact O-N 3.42Å; I609-Y611 PolarHBondContact O-N 2.9Å; I609-L612 PolarHBondContact O-N 3Å; I609-L612 VanDerWaalsContact O-N 3.14Å; I609-L613 HydrophobicContact CG2-CD1 3.72Å; I609-L613 HydrophobicContact CG2-CG 4.15Å; I609-L613 WeakPolarHBondContact O-CB 3.47Å; I609-L613 WeakPolarHBondContact O-CG 3.21Å; I609-L613 PolarHBondContact O-N 3.48Å; I609-L691 HydrophobicContact CG2-CD1 3.98Å; I609-L691 HydrophobicContact CG2-CD2 3.57Å; I609-L691 HydrophobicContact CG2-CG 4.44Å
610	L	51.2	Low	49.2	Very low	14 Å²	14	44.9 Å²	44.9	7%	0.073	21%	0.209	C	C	.	.	H	α-helix	trans	-56.3	-45.9	172.2	-78.3	163.7	0	0	0	110.5	K606 K607 L612 L613 D614 L694 E698 L699	K606-L610 HydrophobicContact CG-CD1 4.31Å; K606-L610 PolarHBondContact O-N 2.89Å; K607-L610 PolarHBondContact O-N 3.42Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-L612 PolarHBondContact O-N 3.38Å; L610-L613 PolarHBondContact O-N 3.08Å; L610-D614 WeakPolarHBondContact O-CB 3.4Å; L610-D614 PolarHBondContact O-N 2.86Å; L610-L694 HydrophobicContact CD1-CD2 3.82Å; L610-L694 HydrophobicContact CD2-CB 4.07Å; L610-L694 HydrophobicContact CD2-CD2 3.89Å; L610-L694 HydrophobicContact CG-CD2 4.14Å; L610-E698 HydrophobicContact CD1-CB 4.47Å; L610-E698 HydrophobicContact CD1-CG 4.48Å; L610-E698 WeakPolarHBondContact CD1-OE2 3.47Å; L610-E698 HydrophobicContact CD2-CB 4.11Å; L610-L699 HydrophobicContact CD2-CD1 4.11Å
611	Y	50.2	Low	50.2	Low	30 Å²	30	40.6 Å²	40.6	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-57.5	-44.9	174.2	-178.2	-87.7	0	0	0	112.5	L510 V520 F553 K607 I609 D614 C615	L510-Y611 HydrophobicContact CD2-CE1 4.39Å; V520-Y611 HydrophobicContact CB-CE2 4.46Å; V520-Y611 HydrophobicContact CG2-CD2 3.84Å; V520-Y611 HydrophobicContact CG2-CE2 3.23Å; F553-Y611 HydrophobicContact CE1-CE1 4.22Å; K607-Y611 WeakPolarHBondContact O-CB 3.46Å; K607-Y611 PolarHBondContact O-N 3.24Å; I609-Y611 PolarHBondContact O-N 2.9Å; Y611-D614 PolarHBondContact O-N 3.47Å; Y611-C615 WeakPolarHBondContact CE1-SG 2.96Å; Y611-C615 WeakPolarHBondContact O-CB 3.44Å; Y611-C615 PolarHBondContact O-N 3.17Å; Y611-C615 PolarHBondContact O-SG 3.33Å
612	L	52.4	Low	51.2	Low	26 Å²	26	40.3 Å²	40.3	14%	0.136	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-46.1	179.6	-176.5	70.1	0	0	0	111.9	L557 S608 I609 L610 D614 C615 F616	L557-L612 HydrophobicContact CD1-CD1 4.39Å; L557-L612 HydrophobicContact CD2-CD1 4.23Å; S608-L612 WeakPolarHBondContact O-CB 3.18Å; S608-L612 PolarHBondContact O-N 2.91Å; S608-L612 VanDerWaalsContact O-N 3.09Å; I609-L612 PolarHBondContact O-N 3Å; I609-L612 VanDerWaalsContact O-N 3.14Å; L610-L612 VanDerWaalsContact C-N 3.34Å; L610-L612 PolarHBondContact O-N 3.38Å; L612-D614 VanDerWaalsContact C-N 3.33Å; L612-C615 WeakPolarHBondContact O-CB 3.44Å; L612-C615 PolarHBondContact O-N 3.44Å; L612-F616 HydrophobicContact CD1-CD2 4.37Å; L612-F616 HydrophobicContact CD1-CE2 3.68Å; L612-F616 HydrophobicContact CD1-CZ 4.06Å; L612-F616 HydrophobicContact CD2-CE2 3.96Å; L612-F616 HydrophobicContact CG-CD2 3.99Å; L612-F616 HydrophobicContact CG-CE2 3.5Å; L612-F616 HydrophobicContact CG-CZ 4.37Å; L612-F616 WeakPolarHBondContact O-CD2 3.24Å; L612-F616 PolarHBondContact O-N 3.48Å
613	L	57.9	Low	52.1	Low	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-43.3	177.1	-72.6	169.3	0	0	0	110.8	I609 L610 C615 F616 L617 I681 L684 L691 L695	I609-L613 HydrophobicContact CG2-CD1 3.72Å; I609-L613 HydrophobicContact CG2-CG 4.15Å; I609-L613 WeakPolarHBondContact O-CB 3.47Å; I609-L613 WeakPolarHBondContact O-CG 3.21Å; I609-L613 PolarHBondContact O-N 3.48Å; L610-L613 PolarHBondContact O-N 3.08Å; L613-C615 PolarHBondContact O-N 3.12Å; L613-F616 PolarHBondContact O-N 3.24Å; L613-L617 WeakPolarHBondContact O-CB 3.44Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.07Å; L613-L617 PolarHBondContact O-N 2.9Å; L613-I681 HydrophobicContact CD2-CG1 4.26Å; L613-L684 HydrophobicContact CD2-CB 4.43Å; L613-L684 HydrophobicContact CD2-CD1 3.74Å; L613-L691 HydrophobicContact CD1-CB 4.44Å; L613-L691 HydrophobicContact CD1-CD1 4.43Å; L613-L695 HydrophobicContact CB-CD2 4.13Å; L613-L695 HydrophobicContact CD1-CD1 4.07Å; L613-L695 HydrophobicContact CD1-CD2 4.22Å; L613-L695 HydrophobicContact CD1-CG 4.05Å
614	D	54.1	Low	53.1	Low	14 Å²	14	34.8 Å²	34.8	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-43.1	175.9	-168.6	17.3	0	0	0	111.6	V520 Q524 L610 Y611 L612 F616 L617 S618 L699	V520-D614 WeakPolarHBondContact CG1-OD2 3.37Å; Q524-D614 PolarHBondContact NE2-OD1 3Å; Q524-D614 PolarHBondContact NE2-OD2 3.08Å; L610-D614 WeakPolarHBondContact O-CB 3.4Å; L610-D614 PolarHBondContact O-N 2.86Å; Y611-D614 PolarHBondContact O-N 3.47Å; L612-D614 VanDerWaalsContact C-N 3.33Å; D614-F616 VanDerWaalsContact C-N 3.34Å; D614-F616 PolarHBondContact O-N 3.23Å; D614-L617 PolarHBondContact O-N 3.46Å; D614-S618 WeakPolarHBondContact O-CB 3.43Å; D614-S618 PolarHBondContact O-N 2.99Å; D614-S618 PolarHBondContact O-OG 3.28Å; D614-S618 PolarHBondContact OD1-OG 3.09Å; D614-L699 HydrophobicContact CB-CD1 4.22Å; D614-L699 HydrophobicContact CB-CD2 3.62Å
615	C	54.4	Low	53.9	Low	11 Å²	11	28.9 Å²	28.9	7%	0.074	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-43	173.9	-71.5	0	0	0	0	112.4	F553 Y611 L612 L613 H619	F553-C615 HydrophobicContact CE1-CB 4.44Å; Y611-C615 WeakPolarHBondContact CE1-SG 2.96Å; Y611-C615 WeakPolarHBondContact O-CB 3.44Å; Y611-C615 PolarHBondContact O-N 3.17Å; Y611-C615 PolarHBondContact O-SG 3.33Å; L612-C615 WeakPolarHBondContact O-CB 3.44Å; L612-C615 PolarHBondContact O-N 3.44Å; L613-C615 PolarHBondContact O-N 3.12Å; C615-H619 WeakPolarHBondContact O-CB 3.35Å; C615-H619 PolarHBondContact O-N 3.36Å
616	F	57.5	Low	54.5	Low	11 Å²	11	29.9 Å²	29.9	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-65.6	-41.9	178.4	-75.2	-53.8	0	0	0	112.4	L557 I561 L612 L613 D614 H619 S620 I680 I681	L557-F616 HydrophobicContact CD2-CD1 4.33Å; L557-F616 HydrophobicContact CD2-CE1 3.5Å; L557-F616 VanDerWaalsContact CD2-CE1 3.5Å; L557-F616 HydrophobicContact CD2-CZ 3.66Å; L557-F616 HydrophobicContact CG-CE1 4.32Å; L557-F616 HydrophobicContact CG-CZ 4.36Å; I561-F616 HydrophobicContact CD1-CE1 3.39Å; I561-F616 HydrophobicContact CD1-CZ 3.66Å; L612-F616 HydrophobicContact CD1-CD2 4.37Å; L612-F616 HydrophobicContact CD1-CE2 3.68Å; L612-F616 HydrophobicContact CD1-CZ 4.06Å; L612-F616 HydrophobicContact CD2-CE2 3.96Å; L612-F616 HydrophobicContact CG-CD2 3.99Å; L612-F616 HydrophobicContact CG-CE2 3.5Å; L612-F616 HydrophobicContact CG-CZ 4.37Å; L612-F616 WeakPolarHBondContact O-CD2 3.24Å; L612-F616 PolarHBondContact O-N 3.48Å; L613-F616 PolarHBondContact O-N 3.24Å; D614-F616 VanDerWaalsContact C-N 3.34Å; D614-F616 PolarHBondContact O-N 3.23Å; F616-H619 PolarHBondContact O-N 2.83Å; F616-S620 WeakPolarHBondContact O-CB 3.26Å; F616-S620 PolarHBondContact O-N 3.27Å; F616-S620 PolarHBondContact O-OG 3.33Å; F616-I680 HydrophobicContact CD2-CG2 4.05Å; F616-I680 HydrophobicContact CE1-CD1 4.07Å; F616-I680 HydrophobicContact CE2-CG2 3.67Å; F616-I680 HydrophobicContact CZ-CD1 4.11Å; F616-I680 HydrophobicContact CZ-CG2 4.01Å; F616-I681 HydrophobicContact CB-CD1 4.11Å; F616-I681 HydrophobicContact CB-CG1 4.21Å
617	L	59.7	Low	55	Low	16 Å²	16	24.8 Å²	24.8	8%	0.084	12%	0.124	C	C	.	.	H	α-helix	trans	-64	-49.1	176.8	-73.9	174	0	0	0	112	L613 D614 H619 S620 Y621 I681 L695 L699 L704	L613-L617 WeakPolarHBondContact O-CB 3.44Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.07Å; L613-L617 PolarHBondContact O-N 2.9Å; D614-L617 PolarHBondContact O-N 3.46Å; L617-H619 VanDerWaalsContact C-N 3.27Å; L617-H619 PolarHBondContact O-N 2.95Å; L617-S620 PolarHBondContact O-N 3.19Å; L617-S620 PolarHBondContact O-OG 3.37Å; L617-Y621 VanDerWaalsContact O-CB 3.23Å; L617-Y621 WeakPolarHBondContact O-CB 3.22Å; L617-Y621 PolarHBondContact O-N 3.46Å; L617-I681 HydrophobicContact CD2-CD1 3.4Å; L617-I681 VanDerWaalsContact CD2-CD1 3.4Å; L617-I681 HydrophobicContact CG-CD1 3.82Å; L617-L695 HydrophobicContact CD1-CD2 3.73Å; L617-L699 HydrophobicContact CD1-CD1 4.49Å; L617-L704 HydrophobicContact CB-CD1 4.46Å; L617-L704 HydrophobicContact CD1-CD1 3.56Å; L617-L704 HydrophobicContact CD2-CD1 3.22Å; L617-L704 HydrophobicContact CD2-CD2 3.35Å; L617-L704 HydrophobicContact CD2-CG 3.77Å; L617-L704 HydrophobicContact CG-CD1 3.91Å
618	S	56.6	Low	55.6	Low	16 Å²	16	19.6 Å²	19.6	11%	0.112	10%	0.102	C	C	.	.	H	α-helix	trans	-55.1	-43.1	174.6	-72.1	0	0	0	0	112.2	W523 D614 T622	W523-S618 WeakPolarHBondContact CH2-OG 3.44Å; W523-S618 VanDerWaalsContact CZ3-CB 3.41Å; W523-S618 WeakPolarHBondContact CZ3-OG 3.4Å; D614-S618 WeakPolarHBondContact O-CB 3.43Å; D614-S618 PolarHBondContact O-N 2.99Å; D614-S618 PolarHBondContact O-OG 3.28Å; D614-S618 PolarHBondContact OD1-OG 3.09Å; S618-T622 WeakPolarHBondContact O-CB 3.3Å; S618-T622 PolarHBondContact O-N 3.46Å; S618-T622 PolarHBondContact O-OG1 3.45Å
619	H	57.9	Low	56	Low	31 Å²	31	21 Å²	21	14%	0.144	11%	0.112	C	C	.	.	H	α-helix	trans	-72.2	-44.4	-179.4	-168.2	57.6	0	0	0	112.8	I554 N558 C615 F616 L617 Y621 T622 T623 T673	I554-H619 WeakPolarHBondContact CG2-ND1 3.42Å; N558-H619 PolarHBondContact ND2-CE1 3.14Å; N558-H619 PolarHBondContact ND2-NE2 3.16Å; C615-H619 WeakPolarHBondContact O-CB 3.35Å; C615-H619 PolarHBondContact O-N 3.36Å; F616-H619 PolarHBondContact O-N 2.83Å; L617-H619 VanDerWaalsContact C-N 3.27Å; L617-H619 PolarHBondContact O-N 2.95Å; H619-Y621 VanDerWaalsContact C-N 3.32Å; H619-Y621 PolarHBondContact O-N 2.84Å; H619-T622 PolarHBondContact O-N 3.22Å; H619-T623 VanDerWaalsContact O-CB 3.31Å; H619-T623 WeakPolarHBondContact O-CB 3.3Å; H619-T623 PolarHBondContact O-N 3.37Å; H619-T623 PolarHBondContact O-OG1 3.13Å; H619-T673 WeakPolarHBondContact CD2-CG2 3.15Å; H619-T673 WeakPolarHBondContact NE2-CG2 2.87Å
620	S	59.1	Low	56.1	Low	1 Å²	1	25.4 Å²	25.4	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-41.8	177.6	71.3	0	0	0	0	111.2	F616 L617 F624 Y708	F616-S620 WeakPolarHBondContact O-CB 3.26Å; F616-S620 PolarHBondContact O-N 3.27Å; F616-S620 PolarHBondContact O-OG 3.33Å; L617-S620 PolarHBondContact O-N 3.19Å; L617-S620 PolarHBondContact O-OG 3.37Å; S620-F624 WeakPolarHBondContact O-CB 3.5Å; S620-F624 PolarHBondContact O-N 2.97Å; S620-Y708 VanDerWaalsContact CB-OH 3.25Å; S620-Y708 WeakPolarHBondContact CB-OH 3.15Å; S620-Y708 PolarHBondContact OG-OH 3.36Å; S620-Y708 VanDerWaalsContact OG-OH 3.11Å
621	Y	60.1	Low	56.1	Low	39 Å²	39	25.9 Å²	25.9	15%	0.153	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-52	175.9	170.2	-104.6	0	0	0	112.4	V527 L532 L617 H619 T623 F624 S625 I707	V527-Y621 HydrophobicContact CG1-CE1 4.48Å; L532-Y621 WeakPolarHBondContact CD1-OH 3.38Å; L532-Y621 WeakPolarHBondContact CG-OH 3.4Å; L617-Y621 VanDerWaalsContact O-CB 3.23Å; L617-Y621 WeakPolarHBondContact O-CB 3.22Å; L617-Y621 PolarHBondContact O-N 3.46Å; H619-Y621 VanDerWaalsContact C-N 3.32Å; H619-Y621 PolarHBondContact O-N 2.84Å; Y621-T623 PolarHBondContact O-N 3.47Å; Y621-F624 PolarHBondContact O-N 3.25Å; Y621-S625 WeakPolarHBondContact CE2-OG 3.49Å; Y621-S625 WeakPolarHBondContact O-CB 3.29Å; Y621-S625 PolarHBondContact O-N 3.48Å; Y621-S625 PolarHBondContact O-OG 3.34Å; Y621-I707 HydrophobicContact CD2-CB 4.33Å; Y621-I707 HydrophobicContact CD2-CD1 3.37Å; Y621-I707 HydrophobicContact CD2-CG1 3.58Å; Y621-I707 HydrophobicContact CD2-CG2 3.74Å; Y621-I707 HydrophobicContact CE2-CD1 3.82Å; Y621-I707 HydrophobicContact CE2-CG1 3.73Å; Y621-I707 HydrophobicContact CE2-CG2 4.42Å; Y621-I707 HydrophobicContact CG-CD1 4.1Å
622	T	54.6	Low	55.8	Low	18 Å²	18	31 Å²	31	11%	0.11	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-41.1	-178.9	-55.4	0	0	0	0	110.2	L540 S618 H619 S625 I626	L540-T622 HydrophobicContact CD1-CG2 3.88Å; L540-T622 HydrophobicContact CD2-CG2 4.01Å; S618-T622 WeakPolarHBondContact O-CB 3.3Å; S618-T622 PolarHBondContact O-N 3.46Å; S618-T622 PolarHBondContact O-OG1 3.45Å; H619-T622 PolarHBondContact O-N 3.22Å; T622-S625 PolarHBondContact O-N 3.41Å; T622-I626 HydrophobicContact CG2-CD1 4.01Å; T622-I626 WeakPolarHBondContact O-CD1 3.47Å; T622-I626 WeakPolarHBondContact O-CG1 3.3Å; T622-I626 PolarHBondContact O-N 2.71Å
623	T	56.6	Low	55.4	Low	14 Å²	14	34.8 Å²	34.8	9%	0.086	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-45	178.1	-54.6	0	0	0	0	111.5	H619 Y621 S625 I626 I627 S670 I674	H619-T623 VanDerWaalsContact O-CB 3.31Å; H619-T623 WeakPolarHBondContact O-CB 3.3Å; H619-T623 PolarHBondContact O-N 3.37Å; H619-T623 PolarHBondContact O-OG1 3.13Å; Y621-T623 PolarHBondContact O-N 3.47Å; T623-S625 PolarHBondContact O-N 3.21Å; T623-I626 PolarHBondContact O-N 3.33Å; T623-I627 HydrophobicContact CG2-CD1 4.43Å; T623-I627 WeakPolarHBondContact O-CG1 3.31Å; T623-I627 PolarHBondContact O-N 3.47Å; T623-S670 WeakPolarHBondContact CG2-O 3.34Å; T623-I674 HydrophobicContact CG2-CD1 4.17Å; T623-I674 HydrophobicContact CG2-CG1 3.96Å
624	F	60.7	Low	54.7	Low	16 Å²	16	40.3 Å²	40.3	7%	0.07	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-46.2	176.2	-175.7	-93.8	0	0	0	112	S620 Y621 I626 I627 H628 I674 Y708 C712 L716	S620-F624 WeakPolarHBondContact O-CB 3.5Å; S620-F624 PolarHBondContact O-N 2.97Å; Y621-F624 PolarHBondContact O-N 3.25Å; F624-I626 VanDerWaalsContact C-N 3.34Å; F624-I626 PolarHBondContact O-N 3.15Å; F624-I627 PolarHBondContact O-N 2.95Å; F624-H628 WeakPolarHBondContact O-CB 3.48Å; F624-H628 PolarHBondContact O-N 2.97Å; F624-I674 HydrophobicContact CB-CD1 3.95Å; F624-I674 HydrophobicContact CD2-CD1 4.14Å; F624-Y708 HydrophobicContact CD2-CE1 4.17Å; F624-Y708 HydrophobicContact CG-CE1 4.46Å; F624-C712 HydrophobicContact CE1-CB 4.4Å; F624-C712 HydrophobicContact CZ-CB 4.07Å; F624-L716 HydrophobicContact CD2-CD1 4.19Å; F624-L716 HydrophobicContact CE2-CD1 3.79Å; F624-L716 HydrophobicContact CZ-CD1 4.33Å
625	S	56.1	Low	53.7	Low	33 Å²	33	42.7 Å²	42.7	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-63.3	-37.3	178.5	-64.9	0	0	0	0	112.7	Y621 T622 T623 S629	Y621-S625 WeakPolarHBondContact CE2-OG 3.49Å; Y621-S625 WeakPolarHBondContact O-CB 3.29Å; Y621-S625 PolarHBondContact O-N 3.48Å; Y621-S625 PolarHBondContact O-OG 3.34Å; T622-S625 PolarHBondContact O-N 3.41Å; T623-S625 PolarHBondContact O-N 3.21Å; S625-S629 VanDerWaalsContact O-CB 3.31Å; S625-S629 WeakPolarHBondContact O-CB 3.37Å; S625-S629 PolarHBondContact O-N 2.79Å; S625-S629 PolarHBondContact O-OG 3.08Å
626	I	55.7	Low	52.7	Low	41 Å²	41	48.2 Å²	48.2	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-44.4	173.7	-70.3	164.4	0	0	0	111.1	L540 T622 T623 F624 S629 K630	L540-I626 HydrophobicContact CD1-CD1 3.87Å; L540-I626 HydrophobicContact CD1-CG1 4.04Å; T622-I626 HydrophobicContact CG2-CD1 4.01Å; T622-I626 WeakPolarHBondContact O-CD1 3.47Å; T622-I626 WeakPolarHBondContact O-CG1 3.3Å; T622-I626 PolarHBondContact O-N 2.71Å; T623-I626 PolarHBondContact O-N 3.33Å; F624-I626 VanDerWaalsContact C-N 3.34Å; F624-I626 PolarHBondContact O-N 3.15Å; I626-S629 WeakPolarHBondContact CA-OG 3.43Å; I626-S629 PolarHBondContact O-OG 2.97Å; I626-S629 VanDerWaalsContact O-OG 3.05Å; I626-K630 HydrophobicContact CG2-CD 3.97Å; I626-K630 HydrophobicContact CG2-CG 4.47Å; I626-K630 WeakPolarHBondContact O-CB 3.42Å; I626-K630 VanDerWaalsContact O-CG 3.31Å; I626-K630 WeakPolarHBondContact O-CG 3.5Å; I626-K630 PolarHBondContact O-N 3.46Å
627	I	58.1	Low	51.5	Low	7 Å²	7	52.2 Å²	52.2	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-50.4	177.9	-62	169.9	0	0	0	109.2	T623 F624 S629 K630 V631 I671 I674 L716	T623-I627 HydrophobicContact CG2-CD1 4.43Å; T623-I627 WeakPolarHBondContact O-CG1 3.31Å; T623-I627 PolarHBondContact O-N 3.47Å; F624-I627 PolarHBondContact O-N 2.95Å; I627-S629 PolarHBondContact O-N 3.31Å; I627-K630 PolarHBondContact O-N 2.89Å; I627-V631 HydrophobicContact CG2-CG2 4.15Å; I627-V631 WeakPolarHBondContact O-CB 3.22Å; I627-V631 WeakPolarHBondContact O-CG2 3.39Å; I627-V631 PolarHBondContact O-N 3.1Å; I627-I671 HydrophobicContact CD1-CG1 4.07Å; I627-I674 HydrophobicContact CD1-CD1 3.6Å; I627-L716 HydrophobicContact CB-CD1 4.31Å; I627-L716 HydrophobicContact CG2-CD1 3.71Å
628	H	57.8	Low	50	Low	53 Å²	53	56 Å²	56	25%	0.245	29%	0.291	C	S	.	.	H	α-helix	trans	-60.2	-44.2	-177.6	-170	-99.7	0	0	0	112.4	F624 R632	F624-H628 WeakPolarHBondContact O-CB 3.48Å; F624-H628 PolarHBondContact O-N 2.97Å; H628-R632 WeakPolarHBondContact O-CB 2.99Å; H628-R632 PolarHBondContact O-N 3.14Å
629	S	55	Low	48.7	Very low	43 Å²	43	61 Å²	61	30%	0.301	32%	0.32	S	S	.	.	H	α-helix	trans	-66.4	-43.9	177.6	57.7	0	0	0	0	113.1	S625 I626 I627 V631 R632 N633	S625-S629 VanDerWaalsContact O-CB 3.31Å; S625-S629 WeakPolarHBondContact O-CB 3.37Å; S625-S629 PolarHBondContact O-N 2.79Å; S625-S629 PolarHBondContact O-OG 3.08Å; I626-S629 WeakPolarHBondContact CA-OG 3.43Å; I626-S629 PolarHBondContact O-OG 2.97Å; I626-S629 VanDerWaalsContact O-OG 3.05Å; I627-S629 PolarHBondContact O-N 3.31Å; S629-V631 VanDerWaalsContact C-N 3.33Å; S629-V631 PolarHBondContact O-N 2.94Å; S629-R632 PolarHBondContact O-N 2.81Å; S629-N633 PolarHBondContact O-N 3.07Å
630	K	52.6	Low	47.4	Very low	99 Å²	99	65.1 Å²	65.1	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-40.7	177.6	-78.2	-179.2	176.9	177.7	0	112.1	I626 I627 Y634	I626-K630 HydrophobicContact CG2-CD 3.97Å; I626-K630 HydrophobicContact CG2-CG 4.47Å; I626-K630 WeakPolarHBondContact O-CB 3.42Å; I626-K630 VanDerWaalsContact O-CG 3.31Å; I626-K630 WeakPolarHBondContact O-CG 3.5Å; I626-K630 PolarHBondContact O-N 3.46Å; I627-K630 PolarHBondContact O-N 2.89Å; K630-Y634 PolarHBondContact O-N 3Å
631	V	50.9	Low	45.8	Very low	25 Å²	25	71.2 Å²	71.2	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-71.1	-37.5	179.8	-177.8	0	0	0	0	110.8	I627 S629 Q719	I627-V631 HydrophobicContact CG2-CG2 4.15Å; I627-V631 WeakPolarHBondContact O-CB 3.22Å; I627-V631 WeakPolarHBondContact O-CG2 3.39Å; I627-V631 PolarHBondContact O-N 3.1Å; S629-V631 VanDerWaalsContact C-N 3.33Å; S629-V631 PolarHBondContact O-N 2.94Å; V631-Q719 HydrophobicContact CG1-CB 3.77Å; V631-Q719 HydrophobicContact CG1-CG 4.22Å
632	R	44.6	Very low	44.5	Very low	137 Å²	137	75.3 Å²	75.3	52%	0.517	42%	0.417	S	S	.	.	H	α-helix	trans	-65.6	-47.3	175.8	-165.9	177.2	-172.1	178.4	0.3	112.6	H628 S629 Y634 S635	H628-R632 WeakPolarHBondContact O-CB 2.99Å; H628-R632 PolarHBondContact O-N 3.14Å; S629-R632 PolarHBondContact O-N 2.81Å; R632-Y634 PolarHBondContact O-N 3.35Å; R632-S635 WeakPolarHBondContact O-CB 3.41Å; R632-S635 PolarHBondContact O-N 3.35Å; R632-S635 PolarHBondContact O-OG 2.78Å
633	N	44.4	Very low	43.2	Very low	106 Å²	106	80.3 Å²	80.3	57%	0.567	45%	0.448	S	S	*	.	H	α-helix	trans	-64.4	-28.4	-176.5	-74.2	-9.1	0	0	0	113	S629 S635 L636	S629-N633 PolarHBondContact O-N 3.07Å; N633-S635 PolarHBondContact O-N 3.11Å; N633-L636 PolarHBondContact O-N 3.41Å
634	Y	42.2	Very low	42.1	Very low	115 Å²	115	85.4 Å²	85.4	45%	0.451	48%	0.481	S	S	.	.	H	α-helix	trans	-69.7	-13.1	174.2	-107.5	-87.5	0	0	0	114.5	K630 R632 I663 R723	K630-Y634 PolarHBondContact O-N 3Å; R632-Y634 PolarHBondContact O-N 3.35Å; Y634-I663 HydrophobicContact CE2-CD1 4.43Å; Y634-R723 PolarHBondContact O-NH1 2.84Å
635	S	33.3	Very low	40.7	Very low	64 Å²	64	90.3 Å²	90.3	45%	0.448	51%	0.512	S	S	.	.	H	α-helix	trans	-79.9	-24.2	174.1	65.1	0	0	0	0	112.8	R632 N633	R632-S635 WeakPolarHBondContact O-CB 3.41Å; R632-S635 PolarHBondContact O-N 3.35Å; R632-S635 PolarHBondContact O-OG 2.78Å; N633-S635 PolarHBondContact O-N 3.11Å
636	L	33.9	Very low	39.5	Very low	128 Å²	128	95.3 Å²	95.3	67%	0.67	54%	0.542	S	S	*	.	H	α-helix	trans	-82.8	-26.3	-179.2	-85.7	128.2	0	0	0	113.7	N633 T639	N633-L636 PolarHBondContact O-N 3.41Å; L636-T639 PolarHBondContact O-OG1 2.92Å
637	T	32.6	Very low	38.2	Very low	94 Å²	94	102 Å²	102	58%	0.577	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-8.9	-174.7	43.1	0	0	0	0	114.9
638	T	28.1	Very low	37	Very low	96 Å²	96	107.6 Å²	107.6	59%	0.589	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	5	-176.5	39.2	0	0	0	0	115.4
639	T	27.8	Very low	35.8	Very low	120 Å²	120	110 Å²	110	74%	0.736	63%	0.627	S	S	*	*			trans	-96.4	24.1	176.3	30.1	0	0	0	0	114.4	L636	L636-T639 PolarHBondContact O-OG1 2.92Å
640	T	30.4	Very low	34.9	Very low	118 Å²	118	111.4 Å²	111.4	72%	0.724	64%	0.642	S	S	*	*	S	Bend	trans	-98.5	100.5	164.5	54	0	0	0	0	109.3
641	T	27.4	Very low	33.9	Very low	129 Å²	129	110.1 Å²	110.1	79%	0.791	65%	0.649	S	S	*	*			trans	-42.5	124.6	166.8	13.6	0	0	0	0	110.2	T643	T641-T643 PolarHBondContact O-N 2.74Å
642	P	31	Very low	33	Very low	126 Å²	126	111 Å²	111	82%	0.818	66%	0.659	S	S	*	*			trans	-73.4	102.5	-178.4	28.1	-30.3	0	0	0	108.8	P644	P642-P644 WeakPolarHBondContact O-CD 3.47Å
643	T	28.1	Very low	32.4	Very low	123 Å²	123	108.2 Å²	108.2	76%	0.755	66%	0.658	S	S	*	*			trans	-61.9	121.6	163.9	26.9	0	0	0	0	108.6	T641 T645	T641-T643 PolarHBondContact O-N 2.74Å; T643-T645 PolarHBondContact O-N 3.15Å; T643-T645 VanDerWaalsContact O-N 3.11Å
644	P	34.5	Very low	31.6	Very low	120 Å²	120	111.1 Å²	111.1	78%	0.779	66%	0.662	S	S	*	*			trans	-79.2	101	-177.4	30.8	-29.8	0	0	0	107.8	P642	P642-P644 WeakPolarHBondContact O-CD 3.47Å
645	T	30.3	Very low	31	Very low	119 Å²	119	109.1 Å²	109.1	73%	0.73	66%	0.664	S	S	*	*			trans	-154.9	135.2	161.5	-0.1	0	0	0	0	110	T643	T643-T645 PolarHBondContact O-N 3.15Å; T643-T645 VanDerWaalsContact O-N 3.11Å
646	T	31.1	Very low	30.8	Very low	138 Å²	138	110.2 Å²	110.2	85%	0.847	67%	0.668	S	S	*	*	S	Bend	trans	71.9	93.7	171.7	35.4	0	0	0	0	117.8	T648	T646-T648 PolarHBondContact O-N 3.17Å
647	M	28.5	Very low	30.4	Very low	183 Å²	183	109.5 Å²	109.5	90%	0.901	67%	0.665	S	S	*	*			trans	11	99.2	153.4	-59.8	-161.3	94.4	0	0	116.5	T649	M647-T649 PolarHBondContact O-N 3.46Å
648	T	32.7	Very low	30.2	Very low	124 Å²	124	109.2 Å²	109.2	76%	0.761	66%	0.658	S	S	*	*			trans	-56.7	94.8	164.2	11.9	0	0	0	0	110.5	T646	T646-T648 PolarHBondContact O-N 3.17Å
649	T	33.3	Very low	30.4	Very low	102 Å²	102	106.9 Å²	106.9	63%	0.626	65%	0.646	S	S	*	*			trans	-64.3	134.1	162.9	43.8	0	0	0	0	109.2	M647 A651 A652	M647-T649 PolarHBondContact O-N 3.46Å; T649-A651 PolarHBondContact O-N 2.92Å; T649-A652 PolarHBondContact O-N 3.04Å
650	A	34.7	Very low	30.5	Very low	74 Å²	74	103.9 Å²	103.9	61%	0.612	63%	0.628	S	S	*	*	H	α-helix	trans	-47.1	-22.5	-177.3	0	0	0	0	0	115.4	A652 V653 Y654	A650-A652 VanDerWaalsContact C-N 3.32Å; A650-A652 PolarHBondContact O-N 3.22Å; A650-V653 PolarHBondContact O-N 3.48Å; A650-Y654 PolarHBondContact O-N 3.49Å
651	A	31.2	Very low	30.5	Very low	71 Å²	71	101 Å²	101	59%	0.587	61%	0.612	S	S	*	*	H	α-helix	trans	-59.7	-35.6	173.1	0	0	0	0	0	113.9	T649 Y654 S655	T649-A651 PolarHBondContact O-N 2.92Å; A651-Y654 PolarHBondContact O-N 3.11Å; A651-S655 PolarHBondContact O-N 2.88Å
652	A	33.1	Very low	31	Very low	43 Å²	43	98.7 Å²	98.7	36%	0.355	60%	0.595	S	S	.	*	H	α-helix	trans	-67.4	-43.2	177.5	0	0	0	0	0	110.9	T649 A650 Y654 S655 V656	T649-A652 PolarHBondContact O-N 3.04Å; A650-A652 VanDerWaalsContact C-N 3.32Å; A650-A652 PolarHBondContact O-N 3.22Å; A652-Y654 VanDerWaalsContact C-N 3.34Å; A652-Y654 PolarHBondContact O-N 3.15Å; A652-S655 PolarHBondContact O-N 2.8Å; A652-S655 PolarHBondContact O-OG 2.92Å; A652-V656 WeakPolarHBondContact O-CG2 3.4Å; A652-V656 PolarHBondContact O-N 3.46Å; A652-V656 VanDerWaalsContact O-N 3.14Å
653	V	30.9	Very low	31.5	Very low	80 Å²	80	95.4 Å²	95.4	49%	0.485	57%	0.57	S	S	.	*	H	α-helix	trans	-63.1	-41.4	175.7	-177.9	0	0	0	0	110.8	A650 V656 L657	A650-V653 PolarHBondContact O-N 3.48Å; V653-V656 PolarHBondContact O-N 2.8Å; V653-L657 HydrophobicContact CG1-CD1 4.12Å; V653-L657 PolarHBondContact O-N 3.3Å
654	Y	28.9	Very low	32.2	Very low	166 Å²	166	92.7 Å²	92.7	65%	0.651	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-40.6	177.5	-122.3	-89.3	0	0	0	112.8	A650 A651 A652 V656 L657 I658	A650-Y654 PolarHBondContact O-N 3.49Å; A651-Y654 PolarHBondContact O-N 3.11Å; A652-Y654 VanDerWaalsContact C-N 3.34Å; A652-Y654 PolarHBondContact O-N 3.15Å; Y654-V656 VanDerWaalsContact C-N 3.33Å; Y654-V656 PolarHBondContact O-N 3.39Å; Y654-L657 PolarHBondContact O-N 2.95Å; Y654-I658 HydrophobicContact CD1-CD1 3.8Å; Y654-I658 HydrophobicContact CD1-CG1 4.35Å; Y654-I658 HydrophobicContact CE1-CD1 4.34Å; Y654-I658 WeakPolarHBondContact O-CG1 3.49Å; Y654-I658 PolarHBondContact O-N 3.45Å
655	S	29.1	Very low	32.5	Very low	73 Å²	73	92.9 Å²	92.9	51%	0.51	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-35.8	177.7	72.5	0	0	0	0	112.8	A651 A652 S659	A651-S655 PolarHBondContact O-N 2.88Å; A652-S655 PolarHBondContact O-N 2.8Å; A652-S655 PolarHBondContact O-OG 2.92Å; S655-S659 WeakPolarHBondContact O-CB 3.4Å; S655-S659 PolarHBondContact O-N 3.37Å; S655-S659 VanDerWaalsContact O-N 3.13Å
656	V	29.5	Very low	33.4	Very low	87 Å²	87	93.2 Å²	93.2	53%	0.527	53%	0.531	S	S	.	.	H	α-helix	trans	-69.6	-44.2	175.5	174.7	0	0	0	0	110.3	A652 V653 Y654 I658 S659 T660	A652-V656 WeakPolarHBondContact O-CG2 3.4Å; A652-V656 PolarHBondContact O-N 3.46Å; A652-V656 VanDerWaalsContact O-N 3.14Å; V653-V656 PolarHBondContact O-N 2.8Å; Y654-V656 VanDerWaalsContact C-N 3.33Å; Y654-V656 PolarHBondContact O-N 3.39Å; V656-I658 PolarHBondContact O-N 3.47Å; V656-S659 PolarHBondContact O-N 2.91Å; V656-S659 PolarHBondContact O-OG 3.02Å; V656-T660 PolarHBondContact O-N 3.34Å; V656-T660 VanDerWaalsContact O-N 3.1Å; V656-T660 PolarHBondContact O-OG1 3.03Å
657	L	25.7	Very low	34.3	Very low	114 Å²	114	88.7 Å²	88.7	60%	0.597	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-39.6	178.9	-114.3	106.9	0	0	0	113.6	V653 Y654 S659 T660 S661	V653-L657 HydrophobicContact CG1-CD1 4.12Å; V653-L657 PolarHBondContact O-N 3.3Å; Y654-L657 PolarHBondContact O-N 2.95Å; L657-S659 VanDerWaalsContact C-N 3.31Å; L657-T660 PolarHBondContact O-N 3.49Å; L657-T660 PolarHBondContact O-OG1 3.35Å; L657-S661 PolarHBondContact O-N 3.12Å; L657-S661 PolarHBondContact O-OG 2.84Å
658	I	28	Very low	35.3	Very low	87 Å²	87	84.2 Å²	84.2	45%	0.446	48%	0.477	S	S	.	.	H	α-helix	trans	-70.6	-31.3	176.6	-66.9	170.5	0	0	0	110.9	Y654 V656 S661 N662	Y654-I658 HydrophobicContact CD1-CD1 3.8Å; Y654-I658 HydrophobicContact CD1-CG1 4.35Å; Y654-I658 HydrophobicContact CE1-CD1 4.34Å; Y654-I658 WeakPolarHBondContact O-CG1 3.49Å; Y654-I658 PolarHBondContact O-N 3.45Å; V656-I658 PolarHBondContact O-N 3.47Å; I658-S661 PolarHBondContact O-OG 3.22Å; I658-N662 PolarHBondContact O-N 2.94Å
659	S	32.1	Very low	36.1	Very low	47 Å²	47	84.4 Å²	84.4	33%	0.329	47%	0.469	S	S	.	.	H	α-helix	trans	-69.5	-37.4	176.8	77.4	0	0	0	0	112.2	S655 V656 L657 I663	S655-S659 WeakPolarHBondContact O-CB 3.4Å; S655-S659 PolarHBondContact O-N 3.37Å; S655-S659 VanDerWaalsContact O-N 3.13Å; V656-S659 PolarHBondContact O-N 2.91Å; V656-S659 PolarHBondContact O-OG 3.02Å; L657-S659 VanDerWaalsContact C-N 3.31Å; S659-I663 WeakPolarHBondContact O-CD1 3.39Å; S659-I663 WeakPolarHBondContact O-CG1 3.35Å; S659-I663 PolarHBondContact O-N 3.45Å
660	T	29.9	Very low	37.3	Very low	58 Å²	58	81 Å²	81	36%	0.356	45%	0.449	S	S	.	.	H	α-helix	trans	-71.5	-46.2	179.9	45.2	0	0	0	0	112.2	V656 L657 N662 I663 E664	V656-T660 PolarHBondContact O-N 3.34Å; V656-T660 VanDerWaalsContact O-N 3.1Å; V656-T660 PolarHBondContact O-OG1 3.03Å; L657-T660 PolarHBondContact O-N 3.49Å; L657-T660 PolarHBondContact O-OG1 3.35Å; T660-N662 VanDerWaalsContact C-N 3.35Å; T660-N662 PolarHBondContact O-N 3.38Å; T660-I663 PolarHBondContact O-N 3.14Å; T660-I663 VanDerWaalsContact O-N 3.09Å; T660-E664 WeakPolarHBondContact O-CG 3.37Å; T660-E664 PolarHBondContact O-N 3.44Å
661	S	30.8	Very low	38.3	Very low	57 Å²	57	77.8 Å²	77.8	40%	0.399	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-38.1	-178.4	62.9	0	0	0	0	113.2	L657 I658 I663 E664 Q665	L657-S661 PolarHBondContact O-N 3.12Å; L657-S661 PolarHBondContact O-OG 2.84Å; I658-S661 PolarHBondContact O-OG 3.22Å; S661-I663 VanDerWaalsContact C-N 3.33Å; S661-I663 PolarHBondContact O-N 2.96Å; S661-E664 PolarHBondContact O-N 3.46Å; S661-Q665 PolarHBondContact O-N 3.33Å
662	N	37.4	Very low	39.3	Very low	81 Å²	81	75.8 Å²	75.8	43%	0.433	41%	0.406	S	S	.	.	H	α-helix	trans	-70.4	-27.4	175.9	-93.2	-39	0	0	0	113.5	I658 T660 K666	I658-N662 PolarHBondContact O-N 2.94Å; T660-N662 VanDerWaalsContact C-N 3.35Å; T660-N662 PolarHBondContact O-N 3.38Å; N662-K666 WeakPolarHBondContact O-CD 3.46Å; N662-K666 VanDerWaalsContact O-CG 3.3Å; N662-K666 WeakPolarHBondContact O-CG 3.42Å
663	I	41.3	Very low	40.4	Very low	56 Å²	56	74.7 Å²	74.7	29%	0.287	39%	0.394	S	S	.	.	H	α-helix	trans	-76.9	-40.2	176.1	-70.2	166.7	0	0	0	109.9	Y634 S659 T660 S661 K666 Q667	Y634-I663 HydrophobicContact CE2-CD1 4.43Å; S659-I663 WeakPolarHBondContact O-CD1 3.39Å; S659-I663 WeakPolarHBondContact O-CG1 3.35Å; S659-I663 PolarHBondContact O-N 3.45Å; T660-I663 PolarHBondContact O-N 3.14Å; T660-I663 VanDerWaalsContact O-N 3.09Å; S661-I663 VanDerWaalsContact C-N 3.33Å; S661-I663 PolarHBondContact O-N 2.96Å; I663-K666 PolarHBondContact O-N 3.09Å; I663-Q667 HydrophobicContact CG2-CG 4.33Å; I663-Q667 WeakPolarHBondContact O-CG 3.45Å; I663-Q667 PolarHBondContact O-N 3.12Å
664	E	42.9	Very low	41.6	Very low	66 Å²	66	71.1 Å²	71.1	31%	0.308	37%	0.373	S	S	.	.	H	α-helix	trans	-60.9	-52.2	-179.3	-73.6	167.5	-158.9	0	0	112.3	T660 S661 K666 Q667 E668	T660-E664 WeakPolarHBondContact O-CG 3.37Å; T660-E664 PolarHBondContact O-N 3.44Å; S661-E664 PolarHBondContact O-N 3.46Å; E664-K666 PolarHBondContact O-N 2.86Å; E664-Q667 PolarHBondContact O-N 2.95Å; E664-E668 PolarHBondContact O-N 3.18Å
665	Q	41.3	Very low	42.7	Very low	124 Å²	124	65 Å²	65	58%	0.579	35%	0.35	S	S	*	.	H	α-helix	trans	-58.7	-36.1	176	-76.2	-173.9	-14.3	0	0	112.5	S661 Q669	S661-Q665 PolarHBondContact O-N 3.33Å; Q665-Q669 WeakPolarHBondContact O-CG 3.28Å; Q665-Q669 PolarHBondContact O-N 3.15Å; Q665-Q669 VanDerWaalsContact O-N 3.14Å
666	K	48.1	Very low	44	Very low	126 Å²	126	64.4 Å²	64.4	55%	0.548	34%	0.337	S	S	.	.	H	α-helix	trans	-71.4	-34.1	177.7	-74.7	178.4	-177	173	0	112.2	N662 I663 E664 S670	N662-K666 WeakPolarHBondContact O-CD 3.46Å; N662-K666 VanDerWaalsContact O-CG 3.3Å; N662-K666 WeakPolarHBondContact O-CG 3.42Å; I663-K666 PolarHBondContact O-N 3.09Å; E664-K666 PolarHBondContact O-N 2.86Å; K666-S670 VanDerWaalsContact O-CB 3.32Å; K666-S670 WeakPolarHBondContact O-CB 3.28Å; K666-S670 PolarHBondContact O-N 3.02Å; K666-S670 PolarHBondContact O-OG 3Å
667	Q	51	Low	45.3	Very low	44 Å²	44	60.4 Å²	60.4	21%	0.206	31%	0.313	C	S	.	.	H	α-helix	trans	-67.8	-44.2	175.3	-75.6	179.3	-4.6	0	0	111.3	I663 E664 S670 I671	I663-Q667 HydrophobicContact CG2-CG 4.33Å; I663-Q667 WeakPolarHBondContact O-CG 3.45Å; I663-Q667 PolarHBondContact O-N 3.12Å; E664-Q667 PolarHBondContact O-N 2.95Å; Q667-S670 PolarHBondContact O-N 3.46Å; Q667-S670 VanDerWaalsContact O-N 3.15Å; Q667-I671 WeakPolarHBondContact O-CG1 3.26Å; Q667-I671 PolarHBondContact O-N 3.47Å
668	E	48.8	Very low	46.8	Very low	89 Å²	89	55 Å²	55	42%	0.416	29%	0.285	S	S	.	.	H	α-helix	trans	-55	-52.2	174.1	-85	177.2	-173.9	0	0	112.4	E664 S670 I671 A672 F726	E664-E668 PolarHBondContact O-N 3.18Å; E668-S670 VanDerWaalsContact C-N 3.26Å; E668-S670 PolarHBondContact O-N 3.08Å; E668-I671 PolarHBondContact O-N 3.17Å; E668-A672 WeakPolarHBondContact O-CB 3.27Å; E668-A672 PolarHBondContact O-N 3.47Å; E668-F726 HydrophobicContact CB-CZ 4.26Å; E668-F726 HydrophobicContact CG-CE1 3.54Å; E668-F726 HydrophobicContact CG-CE2 4.22Å; E668-F726 HydrophobicContact CG-CZ 3.25Å
669	Q	50.5	Low	48.3	Very low	128 Å²	128	54.8 Å²	54.8	60%	0.598	28%	0.281	S	S	*	.	H	α-helix	trans	-60.3	-37.9	177.3	-73.4	179.6	-6	0	0	111.9	Q665 A672 T673	Q665-Q669 WeakPolarHBondContact O-CG 3.28Å; Q665-Q669 PolarHBondContact O-N 3.15Å; Q665-Q669 VanDerWaalsContact O-N 3.14Å; Q669-A672 PolarHBondContact O-N 3.18Å; Q669-T673 WeakPolarHBondContact O-CB 3.3Å; Q669-T673 PolarHBondContact O-N 2.94Å; Q669-T673 PolarHBondContact O-OG1 3.45Å
670	S	57.6	Low	49.5	Very low	30 Å²	30	53.8 Å²	53.8	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-41.5	-178.6	-57.9	0	0	0	0	112.4	T623 K666 Q667 E668 T673 I674	T623-S670 WeakPolarHBondContact CG2-O 3.34Å; K666-S670 VanDerWaalsContact O-CB 3.32Å; K666-S670 WeakPolarHBondContact O-CB 3.28Å; K666-S670 PolarHBondContact O-N 3.02Å; K666-S670 PolarHBondContact O-OG 3Å; Q667-S670 PolarHBondContact O-N 3.46Å; Q667-S670 VanDerWaalsContact O-N 3.15Å; E668-S670 VanDerWaalsContact C-N 3.26Å; E668-S670 PolarHBondContact O-N 3.08Å; S670-T673 WeakPolarHBondContact O-CB 3.47Å; S670-T673 PolarHBondContact O-N 3.33Å; S670-I674 WeakPolarHBondContact O-CG1 3.19Å; S670-I674 PolarHBondContact O-N 3.42Å
671	I	56.2	Low	50.9	Low	7 Å²	7	51.2 Å²	51.2	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-43.6	175.2	-65.5	169.9	0	0	0	110.4	I627 Q667 E668 T673 I674 I675 L720 F726 I734	I627-I671 HydrophobicContact CD1-CG1 4.07Å; Q667-I671 WeakPolarHBondContact O-CG1 3.26Å; Q667-I671 PolarHBondContact O-N 3.47Å; E668-I671 PolarHBondContact O-N 3.17Å; I671-T673 VanDerWaalsContact C-N 3.27Å; I671-T673 PolarHBondContact O-N 2.91Å; I671-I674 PolarHBondContact O-N 2.97Å; I671-I675 HydrophobicContact CG2-CD1 3.96Å; I671-I675 HydrophobicContact CG2-CG1 4.49Å; I671-I675 WeakPolarHBondContact O-CG1 3.44Å; I671-I675 PolarHBondContact O-N 3.12Å; I671-L720 HydrophobicContact CD1-CD1 3.69Å; I671-L720 HydrophobicContact CD1-CD2 4.05Å; I671-F726 HydrophobicContact CD1-CE2 3.95Å; I671-F726 HydrophobicContact CD1-CZ 4.22Å; I671-I734 HydrophobicContact CG2-CD1 4.38Å; I671-I734 HydrophobicContact CG2-CG2 3.9Å
672	A	53.4	Low	52.3	Low	29 Å²	29	48.7 Å²	48.7	24%	0.24	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-42.3	176.7	0	0	0	0	0	111.3	E668 Q669 I674 I675 R676	E668-A672 WeakPolarHBondContact O-CB 3.27Å; E668-A672 PolarHBondContact O-N 3.47Å; Q669-A672 PolarHBondContact O-N 3.18Å; A672-I674 PolarHBondContact O-N 3.45Å; A672-I675 PolarHBondContact O-N 3.29Å; A672-R676 WeakPolarHBondContact O-CB 3.36Å; A672-R676 WeakPolarHBondContact O-CG 3.42Å; A672-R676 PolarHBondContact O-N 3.33Å
673	T	54.7	Low	53.3	Low	19 Å²	19	49 Å²	49	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-39.9	176.6	-64.4	0	0	0	0	113.4	H619 Q669 S670 I671 R676 S677	H619-T673 WeakPolarHBondContact CD2-CG2 3.15Å; H619-T673 WeakPolarHBondContact NE2-CG2 2.87Å; Q669-T673 WeakPolarHBondContact O-CB 3.3Å; Q669-T673 PolarHBondContact O-N 2.94Å; Q669-T673 PolarHBondContact O-OG1 3.45Å; S670-T673 WeakPolarHBondContact O-CB 3.47Å; S670-T673 PolarHBondContact O-N 3.33Å; I671-T673 VanDerWaalsContact C-N 3.27Å; I671-T673 PolarHBondContact O-N 2.91Å; T673-R676 PolarHBondContact O-N 2.91Å; T673-S677 WeakPolarHBondContact O-CB 3.18Å; T673-S677 PolarHBondContact O-N 3.25Å; T673-S677 PolarHBondContact O-OG 2.88Å
674	I	56	Low	54.2	Low	6 Å²	6	46.7 Å²	46.7	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-50	175.4	-65.4	162.5	0	0	0	110.3	T623 F624 I627 S670 I671 A672 R676 S677 L678 Y708 L738	T623-I674 HydrophobicContact CG2-CD1 4.17Å; T623-I674 HydrophobicContact CG2-CG1 3.96Å; F624-I674 HydrophobicContact CB-CD1 3.95Å; F624-I674 HydrophobicContact CD2-CD1 4.14Å; I627-I674 HydrophobicContact CD1-CD1 3.6Å; S670-I674 WeakPolarHBondContact O-CG1 3.19Å; S670-I674 PolarHBondContact O-N 3.42Å; I671-I674 PolarHBondContact O-N 2.97Å; A672-I674 PolarHBondContact O-N 3.45Å; I674-R676 VanDerWaalsContact C-N 3.33Å; I674-R676 PolarHBondContact O-N 3.41Å; I674-S677 PolarHBondContact O-N 2.9Å; I674-L678 HydrophobicContact CG2-CD1 3.98Å; I674-L678 WeakPolarHBondContact O-CG 2.68Å; I674-L678 PolarHBondContact O-N 3Å; I674-Y708 HydrophobicContact CG2-CE1 4.03Å; I674-L738 HydrophobicContact CG2-CD2 4.14Å
675	I	51.9	Low	55.2	Low	36 Å²	36	43.6 Å²	43.6	19%	0.185	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-44.6	179.6	-66.4	172.5	0	0	0	110.6	I671 A672 L678 F679 I734 I737 L738 L741	I671-I675 HydrophobicContact CG2-CD1 3.96Å; I671-I675 HydrophobicContact CG2-CG1 4.49Å; I671-I675 WeakPolarHBondContact O-CG1 3.44Å; I671-I675 PolarHBondContact O-N 3.12Å; A672-I675 PolarHBondContact O-N 3.29Å; I675-L678 PolarHBondContact O-N 2.97Å; I675-F679 VanDerWaalsContact O-CB 3.28Å; I675-F679 WeakPolarHBondContact O-CB 3.21Å; I675-F679 PolarHBondContact O-N 3.06Å; I675-I734 HydrophobicContact CD1-CG2 4.44Å; I675-I737 HydrophobicContact CD1-CG2 4.4Å; I675-I737 HydrophobicContact CG2-CG2 3.89Å; I675-L738 HydrophobicContact CG1-CD2 3.81Å; I675-L738 HydrophobicContact CG1-CG 4.22Å; I675-L741 HydrophobicContact CG2-CD1 4.14Å
676	R	56.1	Low	56.2	Low	62 Å²	62	40.1 Å²	40.1	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-46.6	178.9	-72.1	175.7	-167.5	131.5	-1.9	112.2	F565 A672 T673 I674 F679 I680	F565-R676 HydrophobicContact CD2-CB 4.34Å; F565-R676 HydrophobicContact CD2-CG 3.64Å; F565-R676 HydrophobicContact CE2-CB 3.75Å; F565-R676 HydrophobicContact CE2-CG 3.47Å; F565-R676 VanDerWaalsContact CE2-CG 3.47Å; F565-R676 HydrophobicContact CG-CG 4.29Å; F565-R676 HydrophobicContact CZ-CB 4.25Å; F565-R676 HydrophobicContact CZ-CG 3.98Å; A672-R676 WeakPolarHBondContact O-CB 3.36Å; A672-R676 WeakPolarHBondContact O-CG 3.42Å; A672-R676 PolarHBondContact O-N 3.33Å; T673-R676 PolarHBondContact O-N 2.91Å; I674-R676 VanDerWaalsContact C-N 3.33Å; I674-R676 PolarHBondContact O-N 3.41Å; R676-F679 PolarHBondContact O-N 3.31Å; R676-I680 VanDerWaalsContact O-CG1 3.29Å; R676-I680 WeakPolarHBondContact O-CG1 3.4Å; R676-I680 PolarHBondContact O-N 2.67Å
677	S	57.3	Low	56.6	Low	3 Å²	3	37.8 Å²	37.8	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-46.4	-179	-55.6	0	0	0	0	110.9	T673 I674 F679 I680 I681	T673-S677 WeakPolarHBondContact O-CB 3.18Å; T673-S677 PolarHBondContact O-N 3.25Å; T673-S677 PolarHBondContact O-OG 2.88Å; I674-S677 PolarHBondContact O-N 2.9Å; S677-F679 PolarHBondContact O-N 3.5Å; S677-I680 PolarHBondContact O-N 3.47Å; S677-I681 WeakPolarHBondContact O-CD1 3.36Å; S677-I681 VanDerWaalsContact O-CG1 3.3Å; S677-I681 WeakPolarHBondContact O-CG1 3.33Å; S677-I681 PolarHBondContact O-N 3.17Å; S677-I681 VanDerWaalsContact O-N 3.12Å
678	L	58.3	Low	57.1	Low	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-40.1	177.2	-69	175.9	0	0	0	112.5	I674 I675 I681 D682 Y708 L738 L741 I742 L745	I674-L678 HydrophobicContact CG2-CD1 3.98Å; I674-L678 WeakPolarHBondContact O-CG 2.68Å; I674-L678 PolarHBondContact O-N 3Å; I675-L678 PolarHBondContact O-N 2.97Å; L678-I681 PolarHBondContact O-N 3.5Å; L678-D682 PolarHBondContact O-N 2.75Å; L678-Y708 HydrophobicContact CD1-CD1 4.48Å; L678-Y708 HydrophobicContact CD1-CE1 4.01Å; L678-Y708 HydrophobicContact CD1-CE2 4.44Å; L678-Y708 HydrophobicContact CD2-CD2 4.38Å; L678-Y708 HydrophobicContact CD2-CE2 3.79Å; L678-L738 HydrophobicContact CD1-CD2 4.09Å; L678-L741 HydrophobicContact CB-CD1 4.39Å; L678-I742 HydrophobicContact CD1-CD1 4.18Å; L678-I742 HydrophobicContact CD1-CG1 4.12Å; L678-L745 HydrophobicContact CD2-CD1 4.08Å
679	F	58.4	Low	57.9	Low	82 Å²	82	36.3 Å²	36.3	36%	0.36	19%	0.186	S	C	.	.	H	α-helix	trans	-62.9	-42.7	176	-179	-90.3	0	0	0	112.1	F565 I675 R676 S677 I681 D682 W683 L741	F565-F679 HydrophobicContact CE1-CD1 4.19Å; F565-F679 HydrophobicContact CE1-CE1 4.47Å; F565-F679 AromaticContact CZ-CD1 3.83Å; F565-F679 HydrophobicContact CZ-CD1 3.83Å; F565-F679 HydrophobicContact CZ-CE1 4.43Å; F565-F679 HydrophobicContact CZ-CG 4.48Å; I675-F679 VanDerWaalsContact O-CB 3.28Å; I675-F679 WeakPolarHBondContact O-CB 3.21Å; I675-F679 PolarHBondContact O-N 3.06Å; R676-F679 PolarHBondContact O-N 3.31Å; S677-F679 PolarHBondContact O-N 3.5Å; F679-I681 VanDerWaalsContact C-N 3.32Å; F679-I681 PolarHBondContact O-N 3.22Å; F679-D682 PolarHBondContact O-N 2.8Å; F679-W683 HydrophobicContact CE1-CB 4.41Å; F679-W683 WeakPolarHBondContact O-CB 3.48Å; F679-W683 PolarHBondContact O-N 3.22Å; F679-L741 HydrophobicContact CB-CD1 4.49Å; F679-L741 HydrophobicContact CB-CD2 4.42Å; F679-L741 HydrophobicContact CD2-CD2 4.19Å
680	I	56.9	Low	58.6	Low	26 Å²	26	34.7 Å²	34.7	13%	0.133	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-41	178	-70	167.1	0	0	0	110.6	I561 F565 F616 R676 S677 W683 L684	I561-I680 HydrophobicContact CD1-CD1 3.66Å; I561-I680 HydrophobicContact CG1-CD1 4.13Å; I561-I680 HydrophobicContact CG2-CD1 3.86Å; F565-I680 HydrophobicContact CE2-CD1 4.41Å; F616-I680 HydrophobicContact CD2-CG2 4.05Å; F616-I680 HydrophobicContact CE1-CD1 4.07Å; F616-I680 HydrophobicContact CE2-CG2 3.67Å; F616-I680 HydrophobicContact CZ-CD1 4.11Å; F616-I680 HydrophobicContact CZ-CG2 4.01Å; R676-I680 VanDerWaalsContact O-CG1 3.29Å; R676-I680 WeakPolarHBondContact O-CG1 3.4Å; R676-I680 PolarHBondContact O-N 2.67Å; S677-I680 PolarHBondContact O-N 3.47Å; I680-W683 PolarHBondContact O-N 3.27Å; I680-L684 HydrophobicContact CG2-CD1 3.82Å; I680-L684 HydrophobicContact CG2-CG 4.29Å; I680-L684 WeakPolarHBondContact O-CB 3.46Å; I680-L684 VanDerWaalsContact O-CG 3.31Å; I680-L684 WeakPolarHBondContact O-CG 3.5Å; I680-L684 PolarHBondContact O-N 3.48Å
681	I	61.1	Low	59	Low	3 Å²	3	33.5 Å²	33.5	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-45.7	175.9	-64.1	159.3	0	0	0	110.6	L613 F616 L617 S677 L678 F679 W683 L684 T685 L745	L613-I681 HydrophobicContact CD2-CG1 4.26Å; F616-I681 HydrophobicContact CB-CD1 4.11Å; F616-I681 HydrophobicContact CB-CG1 4.21Å; L617-I681 HydrophobicContact CD2-CD1 3.4Å; L617-I681 VanDerWaalsContact CD2-CD1 3.4Å; L617-I681 HydrophobicContact CG-CD1 3.82Å; S677-I681 WeakPolarHBondContact O-CD1 3.36Å; S677-I681 VanDerWaalsContact O-CG1 3.3Å; S677-I681 WeakPolarHBondContact O-CG1 3.33Å; S677-I681 PolarHBondContact O-N 3.17Å; S677-I681 VanDerWaalsContact O-N 3.12Å; L678-I681 PolarHBondContact O-N 3.5Å; F679-I681 VanDerWaalsContact C-N 3.32Å; F679-I681 PolarHBondContact O-N 3.22Å; I681-W683 VanDerWaalsContact C-N 3.34Å; I681-W683 PolarHBondContact O-N 3.32Å; I681-L684 PolarHBondContact O-N 3.47Å; I681-T685 HydrophobicContact CG2-CG2 4.38Å; I681-T685 WeakPolarHBondContact O-CB 3.34Å; I681-T685 VanDerWaalsContact O-CG2 3.28Å; I681-T685 WeakPolarHBondContact O-CG2 3.41Å; I681-T685 PolarHBondContact O-N 3.07Å; I681-T685 PolarHBondContact O-OG1 3.1Å; I681-L745 HydrophobicContact CG2-CD2 3.96Å
682	D	58.7	Low	59.3	Low	4 Å²	4	33.7 Å²	33.7	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-45.7	175.6	178.2	58.8	0	0	0	111.4	L678 F679 T685 S686 L741 R744 L745 K748	L678-D682 PolarHBondContact O-N 2.75Å; F679-D682 PolarHBondContact O-N 2.8Å; D682-T685 WeakPolarHBondContact CA-OG1 3.43Å; D682-T685 PolarHBondContact O-N 3.28Å; D682-T685 PolarHBondContact O-OG1 3.36Å; D682-S686 WeakPolarHBondContact O-CB 3.4Å; D682-S686 PolarHBondContact O-N 3.08Å; D682-S686 PolarHBondContact O-OG 3.39Å; D682-L741 HydrophobicContact CB-CD2 4.24Å; D682-R744 IonicContact OD1-CZ 2.74Å; D682-R744 IonicContact OD1-NH2 2.99Å; D682-R744 PolarHBondContact OD1-NH2 3.11Å; D682-R744 IonicContact OD2-CZ 2.8Å; D682-R744 IonicContact OD2-NH1 3.67Å; D682-R744 PolarHBondContact OD2-NH1 2.89Å; D682-R744 VanDerWaalsContact OD2-NH1 3.11Å; D682-R744 IonicContact OD2-NH2 3.88Å; D682-R744 PolarHBondContact OD2-NH2 3.35Å; D682-L745 HydrophobicContact CB-CD2 4.04Å; D682-L745 HydrophobicContact CB-CG 4.32Å; D682-K748 PolarHBondContact O-NZ 3.48Å; D682-K748 IonicContact OD1-NZ 3.28Å; D682-K748 PolarHBondContact OD1-NZ 3.27Å
683	W	59.9	Low	59.7	Low	87 Å²	87	37 Å²	37	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-66.1	-45.7	-179.8	-179.3	82.4	0	0	0	112.1	I594 I598 F679 I680 I681 T685 S686 Q687	I594-W683 HydrophobicContact CG2-CH2 3.99Å; I598-W683 HydrophobicContact CD1-CH2 3.6Å; I598-W683 HydrophobicContact CD1-CZ3 3.34Å; F679-W683 HydrophobicContact CE1-CB 4.41Å; F679-W683 WeakPolarHBondContact O-CB 3.48Å; F679-W683 PolarHBondContact O-N 3.22Å; I680-W683 PolarHBondContact O-N 3.27Å; I681-W683 VanDerWaalsContact C-N 3.34Å; I681-W683 PolarHBondContact O-N 3.32Å; W683-T685 PolarHBondContact O-N 2.74Å; W683-S686 WeakPolarHBondContact O-CB 3.41Å; W683-S686 PolarHBondContact O-N 3.49Å; W683-Q687 HydrophobicContact CD2-CG 4.25Å; W683-Q687 HydrophobicContact CZ2-CG 4.07Å; W683-Q687 WeakPolarHBondContact O-CG 3.2Å; W683-Q687 PolarHBondContact O-N 3.38Å
684	L	60	Low	60.1	Low	8 Å²	8	36.9 Å²	36.9	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-44.9	176.8	-78	172.8	0	0	0	111.9	I598 L613 I680 I681 S686 Q687 Y688 L691	I598-L684 HydrophobicContact CD1-CD2 4.05Å; I598-L684 HydrophobicContact CG2-CD2 3.84Å; L613-L684 HydrophobicContact CD2-CB 4.43Å; L613-L684 HydrophobicContact CD2-CD1 3.74Å; I680-L684 HydrophobicContact CG2-CD1 3.82Å; I680-L684 HydrophobicContact CG2-CG 4.29Å; I680-L684 WeakPolarHBondContact O-CB 3.46Å; I680-L684 VanDerWaalsContact O-CG 3.31Å; I680-L684 WeakPolarHBondContact O-CG 3.5Å; I680-L684 PolarHBondContact O-N 3.48Å; I681-L684 PolarHBondContact O-N 3.47Å; L684-S686 VanDerWaalsContact C-N 3.31Å; L684-S686 PolarHBondContact O-N 2.79Å; L684-Q687 PolarHBondContact O-N 2.92Å; L684-Y688 PolarHBondContact O-N 2.81Å; L684-L691 HydrophobicContact CB-CD1 4.4Å
685	T	63.2	Low	60.5	Low	1 Å²	1	36.7 Å²	36.7	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-69.1	-28.3	177.8	54.7	0	0	0	0	112.7	I681 D682 W683 Y688 P689 I692 L695 K748	I681-T685 HydrophobicContact CG2-CG2 4.38Å; I681-T685 WeakPolarHBondContact O-CB 3.34Å; I681-T685 VanDerWaalsContact O-CG2 3.28Å; I681-T685 WeakPolarHBondContact O-CG2 3.41Å; I681-T685 PolarHBondContact O-N 3.07Å; I681-T685 PolarHBondContact O-OG1 3.1Å; D682-T685 WeakPolarHBondContact CA-OG1 3.43Å; D682-T685 PolarHBondContact O-N 3.28Å; D682-T685 PolarHBondContact O-OG1 3.36Å; W683-T685 PolarHBondContact O-N 2.74Å; T685-Y688 CarbonylContact O-C 3.59Å; T685-P689 WeakPolarHBondContact O-CA 3.29Å; T685-I692 HydrophobicContact CG2-CG1 3.74Å; T685-L695 HydrophobicContact CG2-CD1 3.68Å; T685-K748 PolarHBondContact OG1-NZ 3.44Å
686	S	61.7	Low	60.9	Low	51 Å²	51	37.2 Å²	37.2	36%	0.357	18%	0.178	S	C	.	.	H	α-helix	trans	-68.6	-44.8	171	-71.1	0	0	0	0	112.1	D682 W683 L684 Y688 K748	D682-S686 WeakPolarHBondContact O-CB 3.4Å; D682-S686 PolarHBondContact O-N 3.08Å; D682-S686 PolarHBondContact O-OG 3.39Å; W683-S686 WeakPolarHBondContact O-CB 3.41Å; W683-S686 PolarHBondContact O-N 3.49Å; L684-S686 VanDerWaalsContact C-N 3.31Å; L684-S686 PolarHBondContact O-N 2.79Å; S686-Y688 VanDerWaalsContact C-N 3.31Å; S686-K748 PolarHBondContact OG-NZ 3.07Å
687	Q	57.5	Low	61	Low	77 Å²	77	42.5 Å²	42.5	36%	0.36	20%	0.203	S	C	.	.	H	α-helix	trans	-71.7	-30.6	-179.1	-65.6	-59.6	-39.4	0	0	111.9	W683 L684	W683-Q687 HydrophobicContact CD2-CG 4.25Å; W683-Q687 HydrophobicContact CZ2-CG 4.07Å; W683-Q687 WeakPolarHBondContact O-CG 3.2Å; W683-Q687 PolarHBondContact O-N 3.38Å; L684-Q687 PolarHBondContact O-N 2.92Å
688	Y	61.9	Low	61	Low	22 Å²	22	47.5 Å²	47.5	9%	0.086	23%	0.226	C	C	.	.			trans	-136.4	79.8	-174	-57	-72.1	0	0	0	110.6	I598 H599 I602 L684 T685 S686 Y690 L691	I598-Y688 HydrophobicContact CG2-CD2 4.33Å; I598-Y688 HydrophobicContact CG2-CE2 3.59Å; H599-Y688 AromaticContact ND1-CE1 3.87Å; I602-Y688 HydrophobicContact CD1-CD1 3.31Å; I602-Y688 HydrophobicContact CD1-CD2 3.23Å; I602-Y688 HydrophobicContact CD1-CE1 3.24Å; I602-Y688 HydrophobicContact CD1-CE2 3.17Å; I602-Y688 HydrophobicContact CD1-CG 3.27Å; L684-Y688 PolarHBondContact O-N 2.81Å; T685-Y688 CarbonylContact O-C 3.59Å; S686-Y688 VanDerWaalsContact C-N 3.31Å; Y688-Y690 HydrophobicContact CD1-CE1 4.11Å; Y688-Y690 HydrophobicContact CG-CE1 4.3Å; Y688-Y690 PolarHBondContact O-N 3.38Å; Y688-Y690 VanDerWaalsContact O-N 3.12Å; Y688-L691 HydrophobicContact CD2-CD1 4.42Å; Y688-L691 HydrophobicContact CG-CD1 4.4Å; Y688-L691 VanDerWaalsContact O-CB 3.23Å; Y688-L691 WeakPolarHBondContact O-CB 3.36Å; Y688-L691 WeakPolarHBondContact O-CG 3.5Å; Y688-L691 PolarHBondContact O-N 3.33Å
689	P	64	Low	60.9	Low	81 Å²	81	49.5 Å²	49.5	53%	0.526	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.6	-172.5	-27.7	35.5	0	0	0	114.6	T685 L691 I692	T685-P689 WeakPolarHBondContact O-CA 3.29Å; P689-L691 PolarHBondContact O-N 3.48Å; P689-L691 VanDerWaalsContact O-N 3.14Å; P689-I692 VanDerWaalsContact O-CB 3.3Å; P689-I692 WeakPolarHBondContact O-CB 3.15Å; P689-I692 WeakPolarHBondContact O-CG1 3.08Å; P689-I692 PolarHBondContact O-N 3.5Å
690	Y	66.5	Low	60.6	Low	94 Å²	94	47.7 Å²	47.7	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-62.9	-19.3	177	75.6	-89.8	0	0	0	113	I602 Y688 I692 Q693 L694	I602-Y690 WeakPolarHBondContact CG1-OH 3.47Å; I602-Y690 WeakPolarHBondContact CG2-OH 3.43Å; Y688-Y690 HydrophobicContact CD1-CE1 4.11Å; Y688-Y690 HydrophobicContact CG-CE1 4.3Å; Y688-Y690 PolarHBondContact O-N 3.38Å; Y688-Y690 VanDerWaalsContact O-N 3.12Å; Y690-I692 PolarHBondContact O-N 3.28Å; Y690-Q693 PolarHBondContact O-N 2.86Å; Y690-L694 HydrophobicContact CD2-CD1 3.73Å; Y690-L694 HydrophobicContact CE2-CD1 3.78Å; Y690-L694 PolarHBondContact O-N 3.26Å
691	L	64.6	Low	60.5	Low	4 Å²	4	47.4 Å²	47.4	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-26.2	172.9	-65.2	-179.1	0	0	0	112.2	I609 L613 L684 Y688 P689 L694 L695	I609-L691 HydrophobicContact CG2-CD1 3.98Å; I609-L691 HydrophobicContact CG2-CD2 3.57Å; I609-L691 HydrophobicContact CG2-CG 4.44Å; L613-L691 HydrophobicContact CD1-CB 4.44Å; L613-L691 HydrophobicContact CD1-CD1 4.43Å; L684-L691 HydrophobicContact CB-CD1 4.4Å; Y688-L691 HydrophobicContact CD2-CD1 4.42Å; Y688-L691 HydrophobicContact CG-CD1 4.4Å; Y688-L691 VanDerWaalsContact O-CB 3.23Å; Y688-L691 WeakPolarHBondContact O-CB 3.36Å; Y688-L691 WeakPolarHBondContact O-CG 3.5Å; Y688-L691 PolarHBondContact O-N 3.33Å; P689-L691 PolarHBondContact O-N 3.48Å; P689-L691 VanDerWaalsContact O-N 3.14Å; L691-L694 HydrophobicContact CD2-CD1 4.06Å; L691-L694 VanDerWaalsContact O-CB 3.31Å; L691-L694 WeakPolarHBondContact O-CB 3.47Å; L691-L694 PolarHBondContact O-N 3.03Å; L691-L695 WeakPolarHBondContact O-CB 3.46Å; L691-L695 WeakPolarHBondContact O-CD1 3.41Å; L691-L695 WeakPolarHBondContact O-CG 3.37Å; L691-L695 PolarHBondContact O-N 2.55Å
692	I	62.6	Low	59.9	Low	12 Å²	12	53 Å²	53	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-49.1	175.7	-62.1	162.2	0	0	0	109.8	T685 P689 Y690 L694 L695 I696 K748 F749 T752	T685-I692 HydrophobicContact CG2-CG1 3.74Å; P689-I692 VanDerWaalsContact O-CB 3.3Å; P689-I692 WeakPolarHBondContact O-CB 3.15Å; P689-I692 WeakPolarHBondContact O-CG1 3.08Å; P689-I692 PolarHBondContact O-N 3.5Å; Y690-I692 PolarHBondContact O-N 3.28Å; I692-L694 PolarHBondContact O-N 3.39Å; I692-L695 WeakPolarHBondContact O-CB 3.43Å; I692-L695 PolarHBondContact O-N 2.96Å; I692-L695 VanDerWaalsContact O-N 3.16Å; I692-I696 HydrophobicContact CG2-CD1 3.9Å; I692-I696 HydrophobicContact CG2-CG1 4.49Å; I692-I696 VanDerWaalsContact O-CG1 3.31Å; I692-I696 WeakPolarHBondContact O-CG1 3.46Å; I692-I696 PolarHBondContact O-N 2.93Å; I692-K748 HydrophobicContact CD1-CB 3.76Å; I692-K748 HydrophobicContact CD1-CD 4.13Å; I692-K748 HydrophobicContact CD1-CG 4.01Å; I692-K748 HydrophobicContact CG1-CB 4.5Å; I692-F749 HydrophobicContact CG2-CD1 3.7Å; I692-F749 HydrophobicContact CG2-CE1 3.91Å; I692-T752 HydrophobicContact CG2-CG2 4.24Å; I692-T752 WeakPolarHBondContact CG2-OG1 3.41Å
693	Q	63	Low	59.5	Low	97 Å²	97	56.4 Å²	56.4	45%	0.453	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-34.1	175.8	-69.6	-176.1	-6.2	0	0	111.9	Y690 K697 T752	Y690-Q693 PolarHBondContact O-N 2.86Å; Q693-K697 VanDerWaalsContact O-CB 3.3Å; Q693-K697 WeakPolarHBondContact O-CB 3.43Å; Q693-K697 WeakPolarHBondContact O-CG 3.33Å; Q693-K697 PolarHBondContact O-N 3.23Å; Q693-T752 HydrophobicContact CG-CG2 3.78Å
694	L	63.5	Low	59	Low	18 Å²	18	53.1 Å²	53.1	9%	0.094	28%	0.276	C	S	.	.	H	α-helix	trans	-68.5	-44.8	176.2	-95.9	162.8	0	0	0	113.3	K606 L610 Y690 L691 I692 I696 K697 E698	K606-L694 HydrophobicContact CD-CD2 4.3Å; K606-L694 HydrophobicContact CG-CD1 4.19Å; K606-L694 HydrophobicContact CG-CD2 4.32Å; L610-L694 HydrophobicContact CD1-CD2 3.82Å; L610-L694 HydrophobicContact CD2-CB 4.07Å; L610-L694 HydrophobicContact CD2-CD2 3.89Å; L610-L694 HydrophobicContact CG-CD2 4.14Å; Y690-L694 HydrophobicContact CD2-CD1 3.73Å; Y690-L694 HydrophobicContact CE2-CD1 3.78Å; Y690-L694 PolarHBondContact O-N 3.26Å; L691-L694 HydrophobicContact CD2-CD1 4.06Å; L691-L694 VanDerWaalsContact O-CB 3.31Å; L691-L694 WeakPolarHBondContact O-CB 3.47Å; L691-L694 PolarHBondContact O-N 3.03Å; I692-L694 PolarHBondContact O-N 3.39Å; L694-I696 VanDerWaalsContact C-N 3.32Å; L694-K697 PolarHBondContact O-N 2.85Å; L694-E698 HydrophobicContact CD2-CG 4.14Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 PolarHBondContact O-N 2.98Å
695	L	63.2	Low	58.6	Low	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-43.1	173.2	-81	158	0	0	0	111.4	L613 L617 T685 L691 I692 L699 F749	L613-L695 HydrophobicContact CB-CD2 4.13Å; L613-L695 HydrophobicContact CD1-CD1 4.07Å; L613-L695 HydrophobicContact CD1-CD2 4.22Å; L613-L695 HydrophobicContact CD1-CG 4.05Å; L617-L695 HydrophobicContact CD1-CD2 3.73Å; T685-L695 HydrophobicContact CG2-CD1 3.68Å; L691-L695 WeakPolarHBondContact O-CB 3.46Å; L691-L695 WeakPolarHBondContact O-CD1 3.41Å; L691-L695 WeakPolarHBondContact O-CG 3.37Å; L691-L695 PolarHBondContact O-N 2.55Å; I692-L695 WeakPolarHBondContact O-CB 3.43Å; I692-L695 PolarHBondContact O-N 2.96Å; I692-L695 VanDerWaalsContact O-N 3.16Å; L695-L699 HydrophobicContact CD2-CD1 3.59Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 PolarHBondContact O-N 3.31Å; L695-F749 HydrophobicContact CB-CE1 3.96Å; L695-F749 HydrophobicContact CB-CZ 4.49Å; L695-F749 HydrophobicContact CD1-CE1 4.34Å; L695-F749 HydrophobicContact CD1-CZ 4.21Å
696	I	60.3	Low	58	Low	47 Å²	47	62.2 Å²	62.2	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-65.1	-50.4	178	-65.2	167.2	0	0	0	110.7	I692 L694 F749 T752	I692-I696 HydrophobicContact CG2-CD1 3.9Å; I692-I696 HydrophobicContact CG2-CG1 4.49Å; I692-I696 VanDerWaalsContact O-CG1 3.31Å; I692-I696 WeakPolarHBondContact O-CG1 3.46Å; I692-I696 PolarHBondContact O-N 2.93Å; L694-I696 VanDerWaalsContact C-N 3.32Å; I696-F749 HydrophobicContact CD1-CD1 4.01Å; I696-F749 HydrophobicContact CG1-CD1 3.72Å; I696-F749 HydrophobicContact CG1-CE1 4.25Å; I696-T752 WeakPolarHBondContact CD1-OG1 3.24Å
697	K	58.8	Low	57.5	Low	174 Å²	174	61.3 Å²	61.3	76%	0.757	31%	0.309	S	S	*	.	H	α-helix	trans	-75.7	-41.4	-172.7	-74	-176	178.2	-177.4	0	114.4	Q693 L694	Q693-K697 VanDerWaalsContact O-CB 3.3Å; Q693-K697 WeakPolarHBondContact O-CB 3.43Å; Q693-K697 WeakPolarHBondContact O-CG 3.33Å; Q693-K697 PolarHBondContact O-N 3.23Å; L694-K697 PolarHBondContact O-N 2.85Å
698	E	57.7	Low	57.4	Low	108 Å²	108	58 Å²	58	51%	0.505	29%	0.294	S	S	.	.	H	α-helix	trans	-100.1	-24.3	-170.5	-64	-160.6	-156.8	0	0	113.7	K606 L610 L694	K606-E698 WeakPolarHBondContact CE-OE1 3.49Å; K606-E698 IonicContact NZ-OE1 2.72Å; K606-E698 PolarHBondContact NZ-OE1 3.36Å; L610-E698 HydrophobicContact CD1-CB 4.47Å; L610-E698 HydrophobicContact CD1-CG 4.48Å; L610-E698 WeakPolarHBondContact CD1-OE2 3.47Å; L610-E698 HydrophobicContact CD2-CB 4.11Å; L694-E698 HydrophobicContact CD2-CG 4.14Å; L694-E698 WeakPolarHBondContact O-CB 3.49Å; L694-E698 PolarHBondContact O-N 2.98Å
699	L	56	Low	57.2	Low	42 Å²	42	60.2 Å²	60.2	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-109	-2.1	-174	-76.7	162.2	0	0	0	115.1	L610 D614 L617 L695	L610-L699 HydrophobicContact CD2-CD1 4.11Å; D614-L699 HydrophobicContact CB-CD1 4.22Å; D614-L699 HydrophobicContact CB-CD2 3.62Å; L617-L699 HydrophobicContact CD1-CD1 4.49Å; L695-L699 HydrophobicContact CD2-CD1 3.59Å; L695-L699 WeakPolarHBondContact O-CB 3.41Å; L695-L699 PolarHBondContact O-N 3.31Å
700	G	52.3	Low	56.7	Low	45 Å²	45	59.6 Å²	59.6	46%	0.464	30%	0.302	S	S	.	.			trans	65	51.4	173.1	0	0	0	0	0	113.8	N702	G700-N702 PolarHBondContact O-N 3.19Å
701	Y	53.4	Low	56.2	Low	19 Å²	19	62.2 Å²	62.2	8%	0.075	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-8.6	-168.5	-172.3	-96.3	0	0	0	117.5	D703 L704 I705 F749	Y701-D703 PolarHBondContact O-N 3.26Å; Y701-L704 HydrophobicContact CD1-CB 4.39Å; Y701-L704 HydrophobicContact CD2-CB 3.63Å; Y701-L704 HydrophobicContact CD2-CD1 3.35Å; Y701-L704 HydrophobicContact CD2-CG 4.05Å; Y701-L704 HydrophobicContact CE1-CB 4.07Å; Y701-L704 HydrophobicContact CE2-CB 3.22Å; Y701-L704 HydrophobicContact CE2-CD1 3.35Å; Y701-L704 HydrophobicContact CE2-CD2 3.96Å; Y701-L704 HydrophobicContact CE2-CG 3.65Å; Y701-L704 HydrophobicContact CG-CB 4.17Å; Y701-L704 HydrophobicContact CG-CD1 4.39Å; Y701-L704 VanDerWaalsContact CZ-CB 3.42Å; Y701-L704 PolarHBondContact O-N 2.83Å; Y701-I705 HydrophobicContact CD1-CD1 3.97Å; Y701-I705 HydrophobicContact CD1-CG1 3.81Å; Y701-I705 HydrophobicContact CE1-CD1 3.76Å; Y701-I705 HydrophobicContact CE1-CG1 3.3Å; Y701-F749 HydrophobicContact CD1-CB 4.32Å; Y701-F749 AromaticContact CD1-CD1 3.93Å; Y701-F749 HydrophobicContact CD1-CD1 3.93Å; Y701-F749 HydrophobicContact CD1-CD2 4.06Å; Y701-F749 HydrophobicContact CD1-CE1 4.27Å; Y701-F749 HydrophobicContact CD1-CE2 4.43Å; Y701-F749 AromaticContact CD1-CG 3.84Å; Y701-F749 HydrophobicContact CD1-CG 3.84Å; Y701-F749 HydrophobicContact CD2-CD1 4.26Å; Y701-F749 HydrophobicContact CD2-CD2 4.44Å; Y701-F749 AromaticContact CD2-CE1 3.75Å; Y701-F749 HydrophobicContact CD2-CE1 3.75Å; Y701-F749 HydrophobicContact CD2-CE2 4.01Å; Y701-F749 AromaticContact CD2-CZ 3.63Å; Y701-F749 HydrophobicContact CD2-CZ 3.63Å; Y701-F749 HydrophobicContact CE1-CB 3.97Å; Y701-F749 AromaticContact CE1-CD1 3.96Å; Y701-F749 HydrophobicContact CE1-CD1 3.96Å; Y701-F749 AromaticContact CE1-CD2 3.23Å; Y701-F749 HydrophobicContact CE1-CD2 3.23Å; Y701-F749 HydrophobicContact CE1-CE1 4.29Å; Y701-F749 AromaticContact CE1-CE2 3.68Å; Y701-F749 HydrophobicContact CE1-CE2 3.68Å; Y701-F749 AromaticContact CE1-CG 3.44Å; Y701-F749 HydrophobicContact CE1-CG 3.44Å; Y701-F749 VanDerWaalsContact CE1-CG 3.44Å; Y701-F749 HydrophobicContact CE1-CZ 4.18Å; Y701-F749 HydrophobicContact CE2-CD1 4.29Å; Y701-F749 AromaticContact CE2-CD2 3.7Å; Y701-F749 HydrophobicContact CE2-CD2 3.7Å; Y701-F749 AromaticContact CE2-CE1 3.79Å; Y701-F749 HydrophobicContact CE2-CE1 3.79Å; Y701-F749 AromaticContact CE2-CE2 3.16Å; Y701-F749 HydrophobicContact CE2-CE2 3.16Å; Y701-F749 HydrophobicContact CE2-CG 4.28Å; Y701-F749 AromaticContact CE2-CZ 3.2Å; Y701-F749 HydrophobicContact CE2-CZ 3.2Å; Y701-F749 HydrophobicContact CG-CD1 4.12Å; Y701-F749 HydrophobicContact CG-CE1 4.05Å; Y701-F749 HydrophobicContact CG-CG 4.44Å; Y701-F749 HydrophobicContact CG-CZ 4.31Å; Y701-F749 AromaticContact CZ-CD2 3.06Å; Y701-F749 AromaticContact CZ-CE2 3.01Å; Y701-F749 AromaticContact CZ-CG 3.74Å; Y701-F749 AromaticContact CZ-CZ 3.57Å; Y701-F749 WeakPolarHBondContact OH-CD2 3.42Å; Y701-F749 WeakPolarHBondContact OH-CE2 3.41Å
702	N	50.2	Low	55.9	Low	120 Å²	120	64.1 Å²	64.1	64%	0.642	33%	0.331	S	S	*	.	H	α-helix	trans	-53.5	-28.8	178.6	-73.8	-15.1	0	0	0	112.5	G700 H706	G700-N702 PolarHBondContact O-N 3.19Å; N702-H706 PolarHBondContact O-N 3.07Å
703	D	49.9	Very low	55.6	Low	76 Å²	76	63.8 Å²	63.8	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-71.6	-34	177.9	-66	-26.9	0	0	0	113	F528 Y701 I705 H706 I707	F528-D703 WeakPolarHBondContact CE1-OD2 3.4Å; Y701-D703 PolarHBondContact O-N 3.26Å; D703-I705 PolarHBondContact O-N 3.37Å; D703-H706 CarbonylContact O-C 3.55Å; D703-H706 PolarHBondContact O-N 3.23Å; D703-I707 HydrophobicContact CB-CD1 4.13Å; D703-I707 VanDerWaalsContact O-CB 3.28Å; D703-I707 WeakPolarHBondContact O-CB 3.37Å; D703-I707 WeakPolarHBondContact O-CD1 3.35Å; D703-I707 WeakPolarHBondContact O-CG1 3.46Å; D703-I707 PolarHBondContact O-N 3.09Å
704	L	49.7	Very low	55.3	Low	19 Å²	19	62 Å²	62	10%	0.099	32%	0.322	C	S	.	.	H	α-helix	trans	-65.7	-39.6	179.2	-100.7	131.4	0	0	0	113.4	L617 Y701 H706 I707 Y708	L617-L704 HydrophobicContact CB-CD1 4.46Å; L617-L704 HydrophobicContact CD1-CD1 3.56Å; L617-L704 HydrophobicContact CD2-CD1 3.22Å; L617-L704 HydrophobicContact CD2-CD2 3.35Å; L617-L704 HydrophobicContact CD2-CG 3.77Å; L617-L704 HydrophobicContact CG-CD1 3.91Å; Y701-L704 HydrophobicContact CD1-CB 4.39Å; Y701-L704 HydrophobicContact CD2-CB 3.63Å; Y701-L704 HydrophobicContact CD2-CD1 3.35Å; Y701-L704 HydrophobicContact CD2-CG 4.05Å; Y701-L704 HydrophobicContact CE1-CB 4.07Å; Y701-L704 HydrophobicContact CE2-CB 3.22Å; Y701-L704 HydrophobicContact CE2-CD1 3.35Å; Y701-L704 HydrophobicContact CE2-CD2 3.96Å; Y701-L704 HydrophobicContact CE2-CG 3.65Å; Y701-L704 HydrophobicContact CG-CB 4.17Å; Y701-L704 HydrophobicContact CG-CD1 4.39Å; Y701-L704 VanDerWaalsContact CZ-CB 3.42Å; Y701-L704 PolarHBondContact O-N 2.83Å; L704-H706 VanDerWaalsContact C-N 3.28Å; L704-H706 PolarHBondContact O-N 2.93Å; L704-I707 PolarHBondContact O-N 3.06Å; L704-Y708 HydrophobicContact CD2-CD2 3.89Å; L704-Y708 HydrophobicContact CD2-CE2 3.84Å; L704-Y708 PolarHBondContact O-N 3.45Å
705	I	50.1	Low	55.1	Low	59 Å²	59	63 Å²	63	30%	0.303	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-39.9	175.5	-57	-179.9	0	0	0	109.7	Y701 D703 N709	Y701-I705 HydrophobicContact CD1-CD1 3.97Å; Y701-I705 HydrophobicContact CD1-CG1 3.81Å; Y701-I705 HydrophobicContact CE1-CD1 3.76Å; Y701-I705 HydrophobicContact CE1-CG1 3.3Å; D703-I705 PolarHBondContact O-N 3.37Å; I705-N709 PolarHBondContact O-N 3.08Å
706	H	51.5	Low	55.1	Low	140 Å²	140	63.2 Å²	63.2	65%	0.648	33%	0.332	S	S	*	.	H	α-helix	trans	-69.8	-42.1	175.3	-92.1	-65	0	0	0	113.1	N702 D703 L704 Y708 N709	N702-H706 PolarHBondContact O-N 3.07Å; D703-H706 CarbonylContact O-C 3.55Å; D703-H706 PolarHBondContact O-N 3.23Å; L704-H706 VanDerWaalsContact C-N 3.28Å; L704-H706 PolarHBondContact O-N 2.93Å; H706-Y708 VanDerWaalsContact C-N 3.34Å; H706-Y708 PolarHBondContact O-N 3.06Å; H706-N709 PolarHBondContact O-N 3.09Å
707	I	51.3	Low	55.1	Low	32 Å²	32	61.3 Å²	61.3	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-43.1	-179.2	-73.4	160	0	0	0	110.7	Y621 D703 L704	Y621-I707 HydrophobicContact CD2-CB 4.33Å; Y621-I707 HydrophobicContact CD2-CD1 3.37Å; Y621-I707 HydrophobicContact CD2-CG1 3.58Å; Y621-I707 HydrophobicContact CD2-CG2 3.74Å; Y621-I707 HydrophobicContact CE2-CD1 3.82Å; Y621-I707 HydrophobicContact CE2-CG1 3.73Å; Y621-I707 HydrophobicContact CE2-CG2 4.42Å; Y621-I707 HydrophobicContact CG-CD1 4.1Å; D703-I707 HydrophobicContact CB-CD1 4.13Å; D703-I707 VanDerWaalsContact O-CB 3.28Å; D703-I707 WeakPolarHBondContact O-CB 3.37Å; D703-I707 WeakPolarHBondContact O-CD1 3.35Å; D703-I707 WeakPolarHBondContact O-CG1 3.46Å; D703-I707 PolarHBondContact O-N 3.09Å; L704-I707 PolarHBondContact O-N 3.06Å
708	Y	54.7	Low	55.2	Low	7 Å²	7	56.6 Å²	56.6	3%	0.027	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	35.1	-179	-68.8	-67.2	0	0	0	112.5	S620 F624 I674 L678 L704 H706 T710 I742	S620-Y708 VanDerWaalsContact CB-OH 3.25Å; S620-Y708 WeakPolarHBondContact CB-OH 3.15Å; S620-Y708 PolarHBondContact OG-OH 3.36Å; S620-Y708 VanDerWaalsContact OG-OH 3.11Å; F624-Y708 HydrophobicContact CD2-CE1 4.17Å; F624-Y708 HydrophobicContact CG-CE1 4.46Å; I674-Y708 HydrophobicContact CG2-CE1 4.03Å; L678-Y708 HydrophobicContact CD1-CD1 4.48Å; L678-Y708 HydrophobicContact CD1-CE1 4.01Å; L678-Y708 HydrophobicContact CD1-CE2 4.44Å; L678-Y708 HydrophobicContact CD2-CD2 4.38Å; L678-Y708 HydrophobicContact CD2-CE2 3.79Å; L704-Y708 HydrophobicContact CD2-CD2 3.89Å; L704-Y708 HydrophobicContact CD2-CE2 3.84Å; L704-Y708 PolarHBondContact O-N 3.45Å; H706-Y708 VanDerWaalsContact C-N 3.34Å; H706-Y708 PolarHBondContact O-N 3.06Å; Y708-T710 PolarHBondContact O-N 3.1Å; Y708-I742 HydrophobicContact CD1-CD1 3.63Å; Y708-I742 HydrophobicContact CD1-CG1 4.42Å; Y708-I742 HydrophobicContact CE1-CD1 4.49Å; Y708-I742 HydrophobicContact CG-CD1 3.81Å; Y708-I742 HydrophobicContact CG-CG1 4.19Å
709	N	57.3	Low	55.2	Low	70 Å²	70	54.1 Å²	54.1	37%	0.374	29%	0.294	S	S	.	.			trans	-56.1	135.3	169.8	-175.9	-21.7	0	0	0	109.1	I705 H706 Q711 C712 I713	I705-N709 PolarHBondContact O-N 3.08Å; H706-N709 PolarHBondContact O-N 3.09Å; N709-Q711 PolarHBondContact O-N 2.95Å; N709-Q711 PolarHBondContact OD1-N 2.92Å; N709-Q711 VanDerWaalsContact OD1-N 3.07Å; N709-C712 WeakPolarHBondContact O-CB 3.32Å; N709-C712 PolarHBondContact O-N 3.34Å; N709-I713 PolarHBondContact O-N 3.32Å; N709-I713 VanDerWaalsContact O-N 3.16Å
710	T	54	Low	55.2	Low	67 Å²	67	52.6 Å²	52.6	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-46.2	-35	176.6	-39.1	0	0	0	0	111.7	Y708 I713 I714	Y708-T710 PolarHBondContact O-N 3.1Å; T710-I713 PolarHBondContact O-N 3.08Å; T710-I714 HydrophobicContact CG2-CD1 3.94Å; T710-I714 HydrophobicContact CG2-CG1 4.49Å; T710-I714 WeakPolarHBondContact O-CB 3.43Å; T710-I714 WeakPolarHBondContact O-CD1 3.33Å; T710-I714 WeakPolarHBondContact O-CG1 3.42Å; T710-I714 PolarHBondContact O-N 3.25Å
711	Q	56.4	Low	55.3	Low	149 Å²	149	54.3 Å²	54.3	70%	0.696	28%	0.284	S	S	*	.	H	α-helix	trans	-69.3	-37.2	178.4	-160.8	153.9	-4.7	0	0	113.9	N709 S715	N709-Q711 PolarHBondContact O-N 2.95Å; N709-Q711 PolarHBondContact OD1-N 2.92Å; N709-Q711 VanDerWaalsContact OD1-N 3.07Å; Q711-S715 WeakPolarHBondContact O-CB 3.44Å; Q711-S715 PolarHBondContact O-N 3.18Å
712	C	58.1	Low	55.3	Low	45 Å²	45	61.6 Å²	61.6	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-68.4	-39.1	174.2	-69.5	0	0	0	0	111.4	F624 N709 S715 L716	F624-C712 HydrophobicContact CE1-CB 4.4Å; F624-C712 HydrophobicContact CZ-CB 4.07Å; N709-C712 WeakPolarHBondContact O-CB 3.32Å; N709-C712 PolarHBondContact O-N 3.34Å; C712-S715 PolarHBondContact O-N 3.1Å; C712-L716 WeakPolarHBondContact O-CB 3.45Å; C712-L716 PolarHBondContact O-N 3.14Å
713	I	57	Low	55.4	Low	4 Å²	4	62.7 Å²	62.7	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-47.8	175.1	-58.8	165	0	0	0	110.2	N709 T710 S715 L716 I717 L738 I739 I742	N709-I713 PolarHBondContact O-N 3.32Å; N709-I713 VanDerWaalsContact O-N 3.16Å; T710-I713 PolarHBondContact O-N 3.08Å; I713-S715 VanDerWaalsContact C-N 3.33Å; I713-S715 PolarHBondContact O-N 2.89Å; I713-L716 PolarHBondContact O-N 3.08Å; I713-I717 HydrophobicContact CG2-CD1 3.42Å; I713-I717 VanDerWaalsContact CG2-CD1 3.42Å; I713-I717 HydrophobicContact CG2-CG1 4.36Å; I713-I717 WeakPolarHBondContact O-CB 3.49Å; I713-I717 VanDerWaalsContact O-CD1 3.26Å; I713-I717 WeakPolarHBondContact O-CD1 3.4Å; I713-I717 VanDerWaalsContact O-CG1 3.25Å; I713-I717 WeakPolarHBondContact O-CG1 3.04Å; I713-I717 PolarHBondContact O-N 2.76Å; I713-L738 HydrophobicContact CG2-CB 4.37Å; I713-I739 HydrophobicContact CG2-CG1 4.42Å; I713-I742 HydrophobicContact CD1-CD1 3.36Å; I713-I742 HydrophobicContact CG1-CD1 4.22Å
714	I	56.4	Low	55.4	Low	59 Å²	59	60.2 Å²	60.2	30%	0.303	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-45.9	175.7	-71	165.1	0	0	0	110.2	T710 L716 I717 D718	T710-I714 HydrophobicContact CG2-CD1 3.94Å; T710-I714 HydrophobicContact CG2-CG1 4.49Å; T710-I714 WeakPolarHBondContact O-CB 3.43Å; T710-I714 WeakPolarHBondContact O-CD1 3.33Å; T710-I714 WeakPolarHBondContact O-CG1 3.42Å; T710-I714 PolarHBondContact O-N 3.25Å; I714-L716 PolarHBondContact O-N 3.41Å; I714-I717 PolarHBondContact O-N 3.43Å; I714-D718 WeakPolarHBondContact CG2-OD2 3.47Å; I714-D718 WeakPolarHBondContact O-CB 3.38Å; I714-D718 VanDerWaalsContact O-CG 3.26Å; I714-D718 PolarHBondContact O-N 3.4Å
715	S	59.9	Low	55.3	Low	39 Å²	39	63.7 Å²	63.7	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-57.2	-46.5	175.8	176.6	0	0	0	0	112.2	Q711 C712 I713 I717 Q719	Q711-S715 WeakPolarHBondContact O-CB 3.44Å; Q711-S715 PolarHBondContact O-N 3.18Å; C712-S715 PolarHBondContact O-N 3.1Å; I713-S715 VanDerWaalsContact C-N 3.33Å; I713-S715 PolarHBondContact O-N 2.89Å; S715-I717 PolarHBondContact O-N 2.8Å; S715-Q719 WeakPolarHBondContact O-CB 3.32Å; S715-Q719 WeakPolarHBondContact O-CG 2.93Å; S715-Q719 PolarHBondContact O-N 2.77Å
716	L	61.8	Low	55.2	Low	7 Å²	7	62.1 Å²	62.1	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-43.1	177.2	-175.1	126.7	0	0	0	111.4	F624 I627 C712 I713 I714 Q719 L720	F624-L716 HydrophobicContact CD2-CD1 4.19Å; F624-L716 HydrophobicContact CE2-CD1 3.79Å; F624-L716 HydrophobicContact CZ-CD1 4.33Å; I627-L716 HydrophobicContact CB-CD1 4.31Å; I627-L716 HydrophobicContact CG2-CD1 3.71Å; C712-L716 WeakPolarHBondContact O-CB 3.45Å; C712-L716 PolarHBondContact O-N 3.14Å; I713-L716 PolarHBondContact O-N 3.08Å; I714-L716 PolarHBondContact O-N 3.41Å; L716-Q719 PolarHBondContact O-N 3.44Å; L716-L720 HydrophobicContact CD2-CD1 3.74Å; L716-L720 HydrophobicContact CG-CD1 4.42Å; L716-L720 VanDerWaalsContact O-CG 3.31Å; L716-L720 WeakPolarHBondContact O-CG 3.49Å; L716-L720 PolarHBondContact O-N 3.33Å
717	I	61.2	Low	55.1	Low	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-69.1	-44.3	179.4	-68.4	154.7	0	0	0	112	I713 I714 S715 Q719 L720 N721 I731 K735	I713-I717 HydrophobicContact CG2-CD1 3.42Å; I713-I717 VanDerWaalsContact CG2-CD1 3.42Å; I713-I717 HydrophobicContact CG2-CG1 4.36Å; I713-I717 WeakPolarHBondContact O-CB 3.49Å; I713-I717 VanDerWaalsContact O-CD1 3.26Å; I713-I717 WeakPolarHBondContact O-CD1 3.4Å; I713-I717 VanDerWaalsContact O-CG1 3.25Å; I713-I717 WeakPolarHBondContact O-CG1 3.04Å; I713-I717 PolarHBondContact O-N 2.76Å; I714-I717 PolarHBondContact O-N 3.43Å; S715-I717 PolarHBondContact O-N 2.8Å; I717-Q719 PolarHBondContact O-N 3.36Å; I717-L720 PolarHBondContact O-N 2.93Å; I717-N721 VanDerWaalsContact O-CB 3.3Å; I717-N721 WeakPolarHBondContact O-CB 3.43Å; I717-N721 PolarHBondContact O-N 2.95Å; I717-I731 HydrophobicContact CG2-CG2 3.61Å; I717-K735 HydrophobicContact CD1-CB 3.41Å; I717-K735 VanDerWaalsContact CD1-CB 3.41Å; I717-K735 HydrophobicContact CD1-CD 3.83Å; I717-K735 HydrophobicContact CD1-CG 3.41Å; I717-K735 VanDerWaalsContact CD1-CG 3.41Å; I717-K735 HydrophobicContact CG1-CB 4.15Å; I717-K735 HydrophobicContact CG2-CB 4.34Å; I717-K735 HydrophobicContact CG2-CD 4.2Å
718	D	60.5	Low	54.9	Low	75 Å²	75	62 Å²	62	40%	0.401	32%	0.317	S	S	.	.	H	α-helix	trans	-62.5	-33.1	178	-73	-14	0	0	0	110.6	I714 K722	I714-D718 WeakPolarHBondContact CG2-OD2 3.47Å; I714-D718 WeakPolarHBondContact O-CB 3.38Å; I714-D718 VanDerWaalsContact O-CG 3.26Å; I714-D718 PolarHBondContact O-N 3.4Å; D718-K722 VanDerWaalsContact O-CG 3.32Å; D718-K722 WeakPolarHBondContact O-CG 2.86Å; D718-K722 PolarHBondContact O-N 3.03Å
719	Q	57	Low	54.3	Low	57 Å²	57	67.7 Å²	67.7	27%	0.266	35%	0.347	S	S	.	.	H	α-helix	trans	-75.3	-38.6	174.4	-71	176.9	-0.2	0	0	112.9	V631 S715 L716 I717 N721 K722 R723	V631-Q719 HydrophobicContact CG1-CB 3.77Å; V631-Q719 HydrophobicContact CG1-CG 4.22Å; S715-Q719 WeakPolarHBondContact O-CB 3.32Å; S715-Q719 WeakPolarHBondContact O-CG 2.93Å; S715-Q719 PolarHBondContact O-N 2.77Å; L716-Q719 PolarHBondContact O-N 3.44Å; I717-Q719 PolarHBondContact O-N 3.36Å; Q719-N721 VanDerWaalsContact C-N 3.34Å; Q719-K722 PolarHBondContact O-N 2.89Å; Q719-R723 PolarHBondContact O-N 3.48Å
720	L	56.1	Low	53.7	Low	9 Å²	9	68.5 Å²	68.5	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-59.6	-47	169.3	-72.8	169.4	0	0	0	110.1	I671 L716 I717 K722 R723 S724 F726 I731	I671-L720 HydrophobicContact CD1-CD1 3.69Å; I671-L720 HydrophobicContact CD1-CD2 4.05Å; L716-L720 HydrophobicContact CD2-CD1 3.74Å; L716-L720 HydrophobicContact CG-CD1 4.42Å; L716-L720 VanDerWaalsContact O-CG 3.31Å; L716-L720 WeakPolarHBondContact O-CG 3.49Å; L716-L720 PolarHBondContact O-N 3.33Å; I717-L720 PolarHBondContact O-N 2.93Å; L720-K722 PolarHBondContact O-N 3.38Å; L720-K722 VanDerWaalsContact O-N 3.14Å; L720-R723 PolarHBondContact O-N 3.23Å; L720-S724 WeakPolarHBondContact O-CB 3.23Å; L720-S724 PolarHBondContact O-N 3.32Å; L720-S724 PolarHBondContact O-OG 3.23Å; L720-F726 HydrophobicContact CD2-CD2 4.43Å; L720-F726 HydrophobicContact CD2-CE2 4.32Å; L720-I731 HydrophobicContact CB-CD1 4.49Å
721	N	54.3	Low	53.4	Low	82 Å²	82	65.6 Å²	65.6	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-27	-179.5	-150.5	24	0	0	0	113.2	I717 Q719 L728 I731	I717-N721 VanDerWaalsContact O-CB 3.3Å; I717-N721 WeakPolarHBondContact O-CB 3.43Å; I717-N721 PolarHBondContact O-N 2.95Å; Q719-N721 VanDerWaalsContact C-N 3.34Å; N721-L728 VanDerWaalsContact OD1-CD1 3.23Å; N721-L728 WeakPolarHBondContact OD1-CD1 3.37Å; N721-I731 HydrophobicContact CB-CD1 4.23Å; N721-I731 HydrophobicContact CB-CG2 4.31Å
722	K	54.4	Low	52.8	Low	171 Å²	171	64.5 Å²	64.5	74%	0.743	32%	0.323	S	S	*	.	H	α-helix	trans	-78.9	-23.8	174.6	-77.4	175	-178.5	178.8	0	114	D718 Q719 L720	D718-K722 VanDerWaalsContact O-CG 3.32Å; D718-K722 WeakPolarHBondContact O-CG 2.86Å; D718-K722 PolarHBondContact O-N 3.03Å; Q719-K722 PolarHBondContact O-N 2.89Å; L720-K722 PolarHBondContact O-N 3.38Å; L720-K722 VanDerWaalsContact O-N 3.14Å
723	R	51.9	Low	52.2	Low	143 Å²	143	67.3 Å²	67.3	54%	0.54	33%	0.334	S	S	.	.	H	α-helix	trans	-142.4	-13.8	-160.7	-66.6	-170.6	177.2	-168.5	-3.6	116.8	Y634 Q719 L720	Y634-R723 PolarHBondContact O-NH1 2.84Å; Q719-R723 PolarHBondContact O-N 3.48Å; L720-R723 PolarHBondContact O-N 3.23Å
724	S	49.9	Very low	51.9	Low	24 Å²	24	68 Å²	68	17%	0.168	34%	0.338	C	S	.	.			trans	-92.7	148.5	-176.3	67.7	0	0	0	0	112.7	L720 F726 I731	L720-S724 WeakPolarHBondContact O-CB 3.23Å; L720-S724 PolarHBondContact O-N 3.32Å; L720-S724 PolarHBondContact O-OG 3.23Å; S724-F726 PolarHBondContact O-N 3.2Å; S724-F726 WeakPolarHBondContact OG-CD2 3.45Å; S724-I731 WeakPolarHBondContact OG-CD1 3.39Å
725	T	47	Very low	51.5	Low	92 Å²	92	68.4 Å²	68.4	56%	0.564	34%	0.337	S	S	*	.	S	Bend	trans	-68.1	-8.5	169.8	47.4	0	0	0	0	113.6	N727	T725-N727 PolarHBondContact O-N 3.33Å
726	F	48.2	Very low	50.9	Low	26 Å²	26	70.5 Å²	70.5	11%	0.114	35%	0.352	C	S	.	.	S	Bend	trans	-54.9	128	172	-67.8	-66.5	0	0	0	109.7	E668 I671 L720 S724 Q730 I731 I734	E668-F726 HydrophobicContact CB-CZ 4.26Å; E668-F726 HydrophobicContact CG-CE1 3.54Å; E668-F726 HydrophobicContact CG-CE2 4.22Å; E668-F726 HydrophobicContact CG-CZ 3.25Å; I671-F726 HydrophobicContact CD1-CE2 3.95Å; I671-F726 HydrophobicContact CD1-CZ 4.22Å; L720-F726 HydrophobicContact CD2-CD2 4.43Å; L720-F726 HydrophobicContact CD2-CE2 4.32Å; S724-F726 PolarHBondContact O-N 3.2Å; S724-F726 WeakPolarHBondContact OG-CD2 3.45Å; F726-Q730 HydrophobicContact CB-CB 4.19Å; F726-Q730 HydrophobicContact CD1-CB 4.22Å; F726-I731 HydrophobicContact CB-CD1 3.92Å; F726-I731 HydrophobicContact CB-CG1 3.43Å; F726-I731 VanDerWaalsContact CB-CG1 3.43Å; F726-I731 HydrophobicContact CG-CG1 4.35Å; F726-I734 HydrophobicContact CD1-CD1 4.43Å; F726-I734 HydrophobicContact CE1-CD1 4.25Å; F726-I734 HydrophobicContact CZ-CD1 4.38Å
727	N	50.6	Low	50.2	Low	80 Å²	80	73.1 Å²	73.1	43%	0.428	37%	0.365	S	S	.	.			trans	-63.6	153.6	174	77.8	24.3	0	0	0	109.2	T725 I729 Q730 I731	T725-N727 PolarHBondContact O-N 3.33Å; N727-I729 PolarHBondContact O-N 3.19Å; N727-I729 WeakPolarHBondContact OD1-CA 3.36Å; N727-I729 VanDerWaalsContact OD1-CB 3.27Å; N727-I729 WeakPolarHBondContact OD1-CB 3.47Å; N727-I729 PolarHBondContact OD1-N 3.14Å; N727-I729 VanDerWaalsContact OD1-N 3.07Å; N727-Q730 WeakPolarHBondContact O-CB 3.31Å; N727-Q730 PolarHBondContact O-N 3.45Å; N727-Q730 WeakPolarHBondContact OD1-CB 3.36Å; N727-Q730 WeakPolarHBondContact OD1-CG 3.48Å; N727-Q730 PolarHBondContact OD1-N 3.25Å; N727-I731 PolarHBondContact O-N 3.26Å; N727-I731 VanDerWaalsContact O-N 3.11Å
728	L	47.3	Very low	50	Low	91 Å²	91	73.2 Å²	73.2	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-52.2	-30.4	-178.7	-170.7	76.5	0	0	0	112.6	N721 K732	N721-L728 VanDerWaalsContact OD1-CD1 3.23Å; N721-L728 WeakPolarHBondContact OD1-CD1 3.37Å; L728-K732 HydrophobicContact CG-CD 4.46Å; L728-K732 WeakPolarHBondContact O-CB 3.5Å; L728-K732 VanDerWaalsContact O-CG 3.24Å; L728-K732 WeakPolarHBondContact O-CG 3.47Å; L728-K732 PolarHBondContact O-N 3.38Å
729	I	41.8	Very low	49.7	Very low	126 Å²	126	71.6 Å²	71.6	65%	0.646	36%	0.356	S	S	*	.	H	α-helix	trans	-69.3	-45.4	178.2	-59.7	168.2	0	0	0	110.8	N727 K732 L733	N727-I729 PolarHBondContact O-N 3.19Å; N727-I729 WeakPolarHBondContact OD1-CA 3.36Å; N727-I729 VanDerWaalsContact OD1-CB 3.27Å; N727-I729 WeakPolarHBondContact OD1-CB 3.47Å; N727-I729 PolarHBondContact OD1-N 3.14Å; N727-I729 VanDerWaalsContact OD1-N 3.07Å; I729-K732 PolarHBondContact O-N 2.95Å; I729-L733 WeakPolarHBondContact O-CB 3.28Å; I729-L733 PolarHBondContact O-N 3.16Å
730	Q	44.4	Very low	49.5	Very low	86 Å²	86	71.3 Å²	71.3	40%	0.402	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-43.7	177.8	-75.2	168.8	-26.8	0	0	110.7	F726 N727 K732 L733 I734	F726-Q730 HydrophobicContact CB-CB 4.19Å; F726-Q730 HydrophobicContact CD1-CB 4.22Å; N727-Q730 WeakPolarHBondContact O-CB 3.31Å; N727-Q730 PolarHBondContact O-N 3.45Å; N727-Q730 WeakPolarHBondContact OD1-CB 3.36Å; N727-Q730 WeakPolarHBondContact OD1-CG 3.48Å; N727-Q730 PolarHBondContact OD1-N 3.25Å; Q730-K732 PolarHBondContact O-N 3.07Å; Q730-L733 WeakPolarHBondContact O-CB 3.35Å; Q730-L733 PolarHBondContact O-N 3.18Å; Q730-I734 WeakPolarHBondContact O-CB 3.35Å; Q730-I734 VanDerWaalsContact O-CG1 3.26Å; Q730-I734 WeakPolarHBondContact O-CG1 3.45Å; Q730-I734 PolarHBondContact O-N 2.86Å
731	I	46.3	Very low	49.6	Very low	6 Å²	6	71.5 Å²	71.5	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.6	-59.8	-178.7	0	0	0	110.6	I717 L720 N721 S724 F726 N727 L733 I734 K735	I717-I731 HydrophobicContact CG2-CG2 3.61Å; L720-I731 HydrophobicContact CB-CD1 4.49Å; N721-I731 HydrophobicContact CB-CD1 4.23Å; N721-I731 HydrophobicContact CB-CG2 4.31Å; S724-I731 WeakPolarHBondContact OG-CD1 3.39Å; F726-I731 HydrophobicContact CB-CD1 3.92Å; F726-I731 HydrophobicContact CB-CG1 3.43Å; F726-I731 VanDerWaalsContact CB-CG1 3.43Å; F726-I731 HydrophobicContact CG-CG1 4.35Å; N727-I731 PolarHBondContact O-N 3.26Å; N727-I731 VanDerWaalsContact O-N 3.11Å; I731-L733 VanDerWaalsContact C-N 3.33Å; I731-L733 PolarHBondContact O-N 3.26Å; I731-I734 PolarHBondContact O-N 3.04Å; I731-K735 WeakPolarHBondContact O-CB 3.47Å; I731-K735 PolarHBondContact O-N 2.78Å
732	K	45.4	Very low	50	Low	126 Å²	126	67.9 Å²	67.9	55%	0.548	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-39.9	173.8	-77	177.2	178.5	-176.6	0	112	L728 I729 Q730 K735 C736	L728-K732 HydrophobicContact CG-CD 4.46Å; L728-K732 WeakPolarHBondContact O-CB 3.5Å; L728-K732 VanDerWaalsContact O-CG 3.24Å; L728-K732 WeakPolarHBondContact O-CG 3.47Å; L728-K732 PolarHBondContact O-N 3.38Å; I729-K732 PolarHBondContact O-N 2.95Å; Q730-K732 PolarHBondContact O-N 3.07Å; K732-K735 WeakPolarHBondContact O-CB 3.46Å; K732-K735 PolarHBondContact O-N 3.36Å; K732-C736 WeakPolarHBondContact O-CB 3.29Å; K732-C736 PolarHBondContact O-N 3.31Å; K732-C736 PolarHBondContact O-SG 3.4Å
733	L	45	Very low	50.3	Low	104 Å²	104	63.8 Å²	63.8	55%	0.545	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-48	178.3	-163.9	92.3	0	0	0	111	I729 Q730 I731 K735 C736 I737	I729-L733 WeakPolarHBondContact O-CB 3.28Å; I729-L733 PolarHBondContact O-N 3.16Å; Q730-L733 WeakPolarHBondContact O-CB 3.35Å; Q730-L733 PolarHBondContact O-N 3.18Å; I731-L733 VanDerWaalsContact C-N 3.33Å; I731-L733 PolarHBondContact O-N 3.26Å; L733-K735 VanDerWaalsContact C-N 3.3Å; L733-K735 PolarHBondContact O-N 3.46Å; L733-C736 PolarHBondContact O-N 3.23Å; L733-C736 VanDerWaalsContact O-N 3.17Å; L733-I737 HydrophobicContact CD2-CD1 3.87Å; L733-I737 HydrophobicContact CG-CD1 3.9Å; L733-I737 WeakPolarHBondContact O-CB 3.17Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.33Å; L733-I737 PolarHBondContact O-N 2.77Å
734	I	50.3	Low	50.9	Low	20 Å²	20	62.3 Å²	62.3	10%	0.103	33%	0.326	C	S	.	.	H	α-helix	trans	-58.5	-44.6	176	-69.7	163.9	0	0	0	110	I671 I675 F726 Q730 I731 C736 I737 L738	I671-I734 HydrophobicContact CG2-CD1 4.38Å; I671-I734 HydrophobicContact CG2-CG2 3.9Å; I675-I734 HydrophobicContact CD1-CG2 4.44Å; F726-I734 HydrophobicContact CD1-CD1 4.43Å; F726-I734 HydrophobicContact CE1-CD1 4.25Å; F726-I734 HydrophobicContact CZ-CD1 4.38Å; Q730-I734 WeakPolarHBondContact O-CB 3.35Å; Q730-I734 VanDerWaalsContact O-CG1 3.26Å; Q730-I734 WeakPolarHBondContact O-CG1 3.45Å; Q730-I734 PolarHBondContact O-N 2.86Å; I731-I734 PolarHBondContact O-N 3.04Å; I734-C736 PolarHBondContact O-N 3.13Å; I734-I737 PolarHBondContact O-N 3.39Å; I734-L738 HydrophobicContact CG2-CD1 3.78Å; I734-L738 HydrophobicContact CG2-CG 4.41Å; I734-L738 WeakPolarHBondContact O-CB 3.15Å; I734-L738 WeakPolarHBondContact O-CG 3.44Å; I734-L738 PolarHBondContact O-N 2.97Å
735	K	49.3	Very low	51.6	Low	66 Å²	66	61.3 Å²	61.3	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-54.8	-52.5	173.3	176	168.6	-166.7	173.8	0	111.7	I717 I731 K732 L733 I737 L738 I739	I717-K735 HydrophobicContact CD1-CB 3.41Å; I717-K735 VanDerWaalsContact CD1-CB 3.41Å; I717-K735 HydrophobicContact CD1-CD 3.83Å; I717-K735 HydrophobicContact CD1-CG 3.41Å; I717-K735 VanDerWaalsContact CD1-CG 3.41Å; I717-K735 HydrophobicContact CG1-CB 4.15Å; I717-K735 HydrophobicContact CG2-CB 4.34Å; I717-K735 HydrophobicContact CG2-CD 4.2Å; I731-K735 WeakPolarHBondContact O-CB 3.47Å; I731-K735 PolarHBondContact O-N 2.78Å; K732-K735 WeakPolarHBondContact O-CB 3.46Å; K732-K735 PolarHBondContact O-N 3.36Å; L733-K735 VanDerWaalsContact C-N 3.3Å; L733-K735 PolarHBondContact O-N 3.46Å; K735-I737 PolarHBondContact O-N 3.45Å; K735-L738 PolarHBondContact O-N 2.59Å; K735-I739 HydrophobicContact CD-CD1 4.33Å; K735-I739 HydrophobicContact CG-CD1 3.59Å; K735-I739 HydrophobicContact CG-CG1 4.44Å; K735-I739 WeakPolarHBondContact O-CB 3.43Å; K735-I739 VanDerWaalsContact O-CG1 3.24Å; K735-I739 WeakPolarHBondContact O-CG1 3.4Å; K735-I739 PolarHBondContact O-N 2.91Å
736	C	45.5	Very low	52.5	Low	84 Å²	84	58.5 Å²	58.5	57%	0.568	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-44.1	-179.3	-69.9	0	0	0	0	111.8	K732 L733 I734 A740	K732-C736 WeakPolarHBondContact O-CB 3.29Å; K732-C736 PolarHBondContact O-N 3.31Å; K732-C736 PolarHBondContact O-SG 3.4Å; L733-C736 PolarHBondContact O-N 3.23Å; L733-C736 VanDerWaalsContact O-N 3.17Å; I734-C736 PolarHBondContact O-N 3.13Å; C736-A740 WeakPolarHBondContact O-CB 3.34Å; C736-A740 PolarHBondContact O-N 2.8Å
737	I	47.9	Very low	53.3	Low	61 Å²	61	63 Å²	63	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-63.4	-48.5	180	-69.2	166.2	0	0	0	110.7	I675 L733 I734 K735 A740 L741	I675-I737 HydrophobicContact CD1-CG2 4.4Å; I675-I737 HydrophobicContact CG2-CG2 3.89Å; L733-I737 HydrophobicContact CD2-CD1 3.87Å; L733-I737 HydrophobicContact CG-CD1 3.9Å; L733-I737 WeakPolarHBondContact O-CB 3.17Å; L733-I737 VanDerWaalsContact O-CG1 3.28Å; L733-I737 WeakPolarHBondContact O-CG1 3.33Å; L733-I737 PolarHBondContact O-N 2.77Å; I734-I737 PolarHBondContact O-N 3.39Å; K735-I737 PolarHBondContact O-N 3.45Å; I737-A740 PolarHBondContact O-N 3.24Å; I737-L741 HydrophobicContact CG2-CD1 3.78Å; I737-L741 HydrophobicContact CG2-CG 4.43Å; I737-L741 WeakPolarHBondContact O-CB 3.41Å; I737-L741 WeakPolarHBondContact O-CG 3.37Å; I737-L741 PolarHBondContact O-N 3.33Å
738	L	56.4	Low	54.1	Low	8 Å²	8	60.8 Å²	60.8	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-49.9	179.5	-75.5	170.9	0	0	0	111	I674 I675 L678 I713 I734 K735 A740 L741 I742	I674-L738 HydrophobicContact CG2-CD2 4.14Å; I675-L738 HydrophobicContact CG1-CD2 3.81Å; I675-L738 HydrophobicContact CG1-CG 4.22Å; L678-L738 HydrophobicContact CD1-CD2 4.09Å; I713-L738 HydrophobicContact CG2-CB 4.37Å; I734-L738 HydrophobicContact CG2-CD1 3.78Å; I734-L738 HydrophobicContact CG2-CG 4.41Å; I734-L738 WeakPolarHBondContact O-CB 3.15Å; I734-L738 WeakPolarHBondContact O-CG 3.44Å; I734-L738 PolarHBondContact O-N 2.97Å; K735-L738 PolarHBondContact O-N 2.59Å; L738-A740 VanDerWaalsContact C-N 3.31Å; L738-A740 PolarHBondContact O-N 3.2Å; L738-L741 PolarHBondContact O-N 3.1Å; L738-I742 HydrophobicContact CB-CD1 4.36Å; L738-I742 VanDerWaalsContact O-CB 3.31Å; L738-I742 WeakPolarHBondContact O-CB 3.46Å; L738-I742 VanDerWaalsContact O-CD1 3.28Å; L738-I742 WeakPolarHBondContact O-CD1 3.41Å; L738-I742 VanDerWaalsContact O-CG1 3.29Å; L738-I742 WeakPolarHBondContact O-CG1 3.41Å; L738-I742 PolarHBondContact O-N 3.31Å
739	I	55.8	Low	54.8	Low	41 Å²	41	56.6 Å²	56.6	21%	0.21	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-43.2	178.1	-68.3	172.7	0	0	0	110.7	I713 K735 N743	I713-I739 HydrophobicContact CG2-CG1 4.42Å; K735-I739 HydrophobicContact CD-CD1 4.33Å; K735-I739 HydrophobicContact CG-CD1 3.59Å; K735-I739 HydrophobicContact CG-CG1 4.44Å; K735-I739 WeakPolarHBondContact O-CB 3.43Å; K735-I739 VanDerWaalsContact O-CG1 3.24Å; K735-I739 WeakPolarHBondContact O-CG1 3.4Å; K735-I739 PolarHBondContact O-N 2.91Å; I739-N743 WeakPolarHBondContact O-CB 3.19Å; I739-N743 PolarHBondContact O-N 3.47Å
740	A	51.5	Low	55.6	Low	51 Å²	51	54.6 Å²	54.6	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-45.6	179.4	0	0	0	0	0	112.5	C736 I737 L738 N743 R744	C736-A740 WeakPolarHBondContact O-CB 3.34Å; C736-A740 PolarHBondContact O-N 2.8Å; I737-A740 PolarHBondContact O-N 3.24Å; L738-A740 VanDerWaalsContact C-N 3.31Å; L738-A740 PolarHBondContact O-N 3.2Å; A740-N743 PolarHBondContact O-N 3.16Å; A740-R744 WeakPolarHBondContact O-CB 3.35Å; A740-R744 WeakPolarHBondContact O-CG 3.4Å; A740-R744 PolarHBondContact O-N 2.87Å
741	L	58.8	Low	56	Low	13 Å²	13	54.9 Å²	54.9	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-44.5	177.8	-78.3	170.1	0	0	0	111.4	I675 L678 F679 D682 I737 L738 R744 L745	I675-L741 HydrophobicContact CG2-CD1 4.14Å; L678-L741 HydrophobicContact CB-CD1 4.39Å; F679-L741 HydrophobicContact CB-CD1 4.49Å; F679-L741 HydrophobicContact CB-CD2 4.42Å; F679-L741 HydrophobicContact CD2-CD2 4.19Å; D682-L741 HydrophobicContact CB-CD2 4.24Å; I737-L741 HydrophobicContact CG2-CD1 3.78Å; I737-L741 HydrophobicContact CG2-CG 4.43Å; I737-L741 WeakPolarHBondContact O-CB 3.41Å; I737-L741 WeakPolarHBondContact O-CG 3.37Å; I737-L741 PolarHBondContact O-N 3.33Å; L738-L741 PolarHBondContact O-N 3.1Å; L741-R744 PolarHBondContact O-N 2.68Å; L741-L745 WeakPolarHBondContact O-CB 3.41Å; L741-L745 WeakPolarHBondContact O-CG 3.49Å; L741-L745 PolarHBondContact O-N 2.97Å
742	I	63	Low	56	Low	7 Å²	7	55.6 Å²	55.6	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-70.3	-39.7	-178.5	-70	156.5	0	0	0	110.7	L678 Y708 I713 L738 L745 N746	L678-I742 HydrophobicContact CD1-CD1 4.18Å; L678-I742 HydrophobicContact CD1-CG1 4.12Å; Y708-I742 HydrophobicContact CD1-CD1 3.63Å; Y708-I742 HydrophobicContact CD1-CG1 4.42Å; Y708-I742 HydrophobicContact CE1-CD1 4.49Å; Y708-I742 HydrophobicContact CG-CD1 3.81Å; Y708-I742 HydrophobicContact CG-CG1 4.19Å; I713-I742 HydrophobicContact CD1-CD1 3.36Å; I713-I742 HydrophobicContact CG1-CD1 4.22Å; L738-I742 HydrophobicContact CB-CD1 4.36Å; L738-I742 VanDerWaalsContact O-CB 3.31Å; L738-I742 WeakPolarHBondContact O-CB 3.46Å; L738-I742 VanDerWaalsContact O-CD1 3.28Å; L738-I742 WeakPolarHBondContact O-CD1 3.41Å; L738-I742 VanDerWaalsContact O-CG1 3.29Å; L738-I742 WeakPolarHBondContact O-CG1 3.41Å; L738-I742 PolarHBondContact O-N 3.31Å; I742-L745 PolarHBondContact O-N 2.87Å; I742-N746 VanDerWaalsContact O-CB 3.29Å; I742-N746 WeakPolarHBondContact O-CB 3.29Å; I742-N746 PolarHBondContact O-N 3.01Å
743	N	61	Low	55.9	Low	84 Å²	84	53.1 Å²	53.1	45%	0.449	28%	0.277	S	S	.	.	H	α-helix	trans	-64.5	-42.4	174.1	-75.6	-7.7	0	0	0	112.1	I739 A740 L745 N746 E747	I739-N743 WeakPolarHBondContact O-CB 3.19Å; I739-N743 PolarHBondContact O-N 3.47Å; A740-N743 PolarHBondContact O-N 3.16Å; N743-L745 VanDerWaalsContact C-N 3.34Å; N743-L745 PolarHBondContact O-N 3.3Å; N743-N746 PolarHBondContact O-N 2.91Å; N743-E747 VanDerWaalsContact O-CB 3.31Å; N743-E747 WeakPolarHBondContact O-CB 3.07Å; N743-E747 PolarHBondContact O-N 3.28Å
744	R	63.5	Low	55.5	Low	112 Å²	112	55.3 Å²	55.3	42%	0.423	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-39.6	177	-77.2	-178.6	65.6	-146.6	-18.1	112.2	D682 A740 L741 K748	D682-R744 IonicContact OD1-CZ 2.74Å; D682-R744 IonicContact OD1-NH2 2.99Å; D682-R744 PolarHBondContact OD1-NH2 3.11Å; D682-R744 IonicContact OD2-CZ 2.8Å; D682-R744 IonicContact OD2-NH1 3.67Å; D682-R744 PolarHBondContact OD2-NH1 2.89Å; D682-R744 VanDerWaalsContact OD2-NH1 3.11Å; D682-R744 IonicContact OD2-NH2 3.88Å; D682-R744 PolarHBondContact OD2-NH2 3.35Å; A740-R744 WeakPolarHBondContact O-CB 3.35Å; A740-R744 WeakPolarHBondContact O-CG 3.4Å; A740-R744 PolarHBondContact O-N 2.87Å; L741-R744 PolarHBondContact O-N 2.68Å; R744-K748 WeakPolarHBondContact O-CB 3.48Å; R744-K748 VanDerWaalsContact O-CG 3.31Å; R744-K748 WeakPolarHBondContact O-CG 3.31Å; R744-K748 PolarHBondContact O-N 3.43Å; R744-K748 VanDerWaalsContact O-N 3.13Å
745	L	64.8	Low	54.9	Low	3 Å²	3	60.4 Å²	60.4	2%	0.016	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-51.2	172.1	-75.7	174.3	0	0	0	110.3	L678 I681 D682 L741 I742 N743 E747 K748 F749	L678-L745 HydrophobicContact CD2-CD1 4.08Å; I681-L745 HydrophobicContact CG2-CD2 3.96Å; D682-L745 HydrophobicContact CB-CD2 4.04Å; D682-L745 HydrophobicContact CB-CG 4.32Å; L741-L745 WeakPolarHBondContact O-CB 3.41Å; L741-L745 WeakPolarHBondContact O-CG 3.49Å; L741-L745 PolarHBondContact O-N 2.97Å; I742-L745 PolarHBondContact O-N 2.87Å; N743-L745 VanDerWaalsContact C-N 3.34Å; N743-L745 PolarHBondContact O-N 3.3Å; L745-E747 VanDerWaalsContact C-N 3.32Å; L745-E747 PolarHBondContact O-N 2.98Å; L745-K748 WeakPolarHBondContact O-CA 3.48Å; L745-K748 VanDerWaalsContact O-CB 3.31Å; L745-K748 WeakPolarHBondContact O-CB 3.49Å; L745-K748 PolarHBondContact O-N 3.45Å; L745-K748 VanDerWaalsContact O-N 3.1Å; L745-F749 VanDerWaalsContact C-CD2 3.41Å; L745-F749 HydrophobicContact CB-CD2 4.23Å; L745-F749 HydrophobicContact CB-CE2 3.92Å; L745-F749 HydrophobicContact CD2-CE2 4.11Å; L745-F749 WeakPolarHBondContact O-CD2 3.46Å; L745-F749 WeakPolarHBondContact O-CG 3.46Å; L745-F749 PolarHBondContact O-N 3.02Å
746	N	65.6	Low	54	Low	33 Å²	33	63.9 Å²	63.9	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-57.8	-41.2	178.5	-76.2	-12.4	0	0	0	112.8	I742 N743 F749 N750	I742-N746 VanDerWaalsContact O-CB 3.29Å; I742-N746 WeakPolarHBondContact O-CB 3.29Å; I742-N746 PolarHBondContact O-N 3.01Å; N743-N746 PolarHBondContact O-N 2.91Å; N746-F749 PolarHBondContact O-N 2.95Å; N746-N750 WeakPolarHBondContact O-CB 3.1Å; N746-N750 VanDerWaalsContact O-CG 3.26Å; N746-N750 PolarHBondContact O-N 3.4Å
747	E	65.2	Low	54.5	Low	121 Å²	121	62.9 Å²	62.9	57%	0.565	34%	0.338	S	S	*	.	H	α-helix	trans	-61.5	-46.4	175.5	-172.2	-179.6	-178.5	0	0	110.7	N743 L745 F749 N750 I751	N743-E747 VanDerWaalsContact O-CB 3.31Å; N743-E747 WeakPolarHBondContact O-CB 3.07Å; N743-E747 PolarHBondContact O-N 3.28Å; L745-E747 VanDerWaalsContact C-N 3.32Å; L745-E747 PolarHBondContact O-N 2.98Å; E747-F749 VanDerWaalsContact C-N 3.31Å; E747-F749 PolarHBondContact O-N 3.1Å; E747-N750 PolarHBondContact O-N 3.03Å; E747-I751 HydrophobicContact CG-CD1 3.89Å; E747-I751 HydrophobicContact CG-CG1 4.48Å; E747-I751 WeakPolarHBondContact O-CB 3.43Å; E747-I751 WeakPolarHBondContact O-CD1 3.25Å; E747-I751 WeakPolarHBondContact O-CG1 3.26Å; E747-I751 PolarHBondContact O-N 3.4Å
748	K	66.4	Low	54.8	Low	33 Å²	33	63 Å²	63	14%	0.143	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-41.3	174	-79	170.7	170.1	-179.6	0	112.8	D682 T685 S686 I692 R744 L745 T752	D682-K748 PolarHBondContact O-NZ 3.48Å; D682-K748 IonicContact OD1-NZ 3.28Å; D682-K748 PolarHBondContact OD1-NZ 3.27Å; T685-K748 PolarHBondContact OG1-NZ 3.44Å; S686-K748 PolarHBondContact OG-NZ 3.07Å; I692-K748 HydrophobicContact CD1-CB 3.76Å; I692-K748 HydrophobicContact CD1-CD 4.13Å; I692-K748 HydrophobicContact CD1-CG 4.01Å; I692-K748 HydrophobicContact CG1-CB 4.5Å; R744-K748 WeakPolarHBondContact O-CB 3.48Å; R744-K748 VanDerWaalsContact O-CG 3.31Å; R744-K748 WeakPolarHBondContact O-CG 3.31Å; R744-K748 PolarHBondContact O-N 3.43Å; R744-K748 VanDerWaalsContact O-N 3.13Å; L745-K748 WeakPolarHBondContact O-CA 3.48Å; L745-K748 VanDerWaalsContact O-CB 3.31Å; L745-K748 WeakPolarHBondContact O-CB 3.49Å; L745-K748 PolarHBondContact O-N 3.45Å; L745-K748 VanDerWaalsContact O-N 3.1Å; K748-T752 PolarHBondContact O-OG1 2.7Å
749	F	62.9	Low	54.7	Low	4 Å²	4	66.1 Å²	66.1	2%	0.018	36%	0.356	C	S	.	.	H	α-helix	trans	-72.8	-38.8	178.5	-68.9	-65.2	0	0	0	112.6	I692 L695 I696 Y701 L745 N746 E747 T752 N753	I692-F749 HydrophobicContact CG2-CD1 3.7Å; I692-F749 HydrophobicContact CG2-CE1 3.91Å; L695-F749 HydrophobicContact CB-CE1 3.96Å; L695-F749 HydrophobicContact CB-CZ 4.49Å; L695-F749 HydrophobicContact CD1-CE1 4.34Å; L695-F749 HydrophobicContact CD1-CZ 4.21Å; I696-F749 HydrophobicContact CD1-CD1 4.01Å; I696-F749 HydrophobicContact CG1-CD1 3.72Å; I696-F749 HydrophobicContact CG1-CE1 4.25Å; Y701-F749 HydrophobicContact CD1-CB 4.32Å; Y701-F749 AromaticContact CD1-CD1 3.93Å; Y701-F749 HydrophobicContact CD1-CD1 3.93Å; Y701-F749 HydrophobicContact CD1-CD2 4.06Å; Y701-F749 HydrophobicContact CD1-CE1 4.27Å; Y701-F749 HydrophobicContact CD1-CE2 4.43Å; Y701-F749 AromaticContact CD1-CG 3.84Å; Y701-F749 HydrophobicContact CD1-CG 3.84Å; Y701-F749 HydrophobicContact CD2-CD1 4.26Å; Y701-F749 HydrophobicContact CD2-CD2 4.44Å; Y701-F749 AromaticContact CD2-CE1 3.75Å; Y701-F749 HydrophobicContact CD2-CE1 3.75Å; Y701-F749 HydrophobicContact CD2-CE2 4.01Å; Y701-F749 AromaticContact CD2-CZ 3.63Å; Y701-F749 HydrophobicContact CD2-CZ 3.63Å; Y701-F749 HydrophobicContact CE1-CB 3.97Å; Y701-F749 AromaticContact CE1-CD1 3.96Å; Y701-F749 HydrophobicContact CE1-CD1 3.96Å; Y701-F749 AromaticContact CE1-CD2 3.23Å; Y701-F749 HydrophobicContact CE1-CD2 3.23Å; Y701-F749 HydrophobicContact CE1-CE1 4.29Å; Y701-F749 AromaticContact CE1-CE2 3.68Å; Y701-F749 HydrophobicContact CE1-CE2 3.68Å; Y701-F749 AromaticContact CE1-CG 3.44Å; Y701-F749 HydrophobicContact CE1-CG 3.44Å; Y701-F749 VanDerWaalsContact CE1-CG 3.44Å; Y701-F749 HydrophobicContact CE1-CZ 4.18Å; Y701-F749 HydrophobicContact CE2-CD1 4.29Å; Y701-F749 AromaticContact CE2-CD2 3.7Å; Y701-F749 HydrophobicContact CE2-CD2 3.7Å; Y701-F749 AromaticContact CE2-CE1 3.79Å; Y701-F749 HydrophobicContact CE2-CE1 3.79Å; Y701-F749 AromaticContact CE2-CE2 3.16Å; Y701-F749 HydrophobicContact CE2-CE2 3.16Å; Y701-F749 HydrophobicContact CE2-CG 4.28Å; Y701-F749 AromaticContact CE2-CZ 3.2Å; Y701-F749 HydrophobicContact CE2-CZ 3.2Å; Y701-F749 HydrophobicContact CG-CD1 4.12Å; Y701-F749 HydrophobicContact CG-CE1 4.05Å; Y701-F749 HydrophobicContact CG-CG 4.44Å; Y701-F749 HydrophobicContact CG-CZ 4.31Å; Y701-F749 AromaticContact CZ-CD2 3.06Å; Y701-F749 AromaticContact CZ-CE2 3.01Å; Y701-F749 AromaticContact CZ-CG 3.74Å; Y701-F749 AromaticContact CZ-CZ 3.57Å; Y701-F749 WeakPolarHBondContact OH-CD2 3.42Å; Y701-F749 WeakPolarHBondContact OH-CE2 3.41Å; L745-F749 VanDerWaalsContact C-CD2 3.41Å; L745-F749 HydrophobicContact CB-CD2 4.23Å; L745-F749 HydrophobicContact CB-CE2 3.92Å; L745-F749 HydrophobicContact CD2-CE2 4.11Å; L745-F749 WeakPolarHBondContact O-CD2 3.46Å; L745-F749 WeakPolarHBondContact O-CG 3.46Å; L745-F749 PolarHBondContact O-N 3.02Å; N746-F749 PolarHBondContact O-N 2.95Å; E747-F749 VanDerWaalsContact C-N 3.31Å; E747-F749 PolarHBondContact O-N 3.1Å; F749-T752 PolarHBondContact O-N 3.33Å; F749-T752 PolarHBondContact O-OG1 2.85Å; F749-T752 VanDerWaalsContact O-OG1 3.09Å; F749-N753 PolarHBondContact O-N 2.88Å; F749-N753 VanDerWaalsContact O-N 3.14Å
750	N	59.2	Low	54.6	Low	83 Å²	83	67.5 Å²	67.5	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-70.2	-41.3	178.2	-74.2	-10.5	0	0	0	112.1	N746 E747 T752 N753 D754	N746-N750 WeakPolarHBondContact O-CB 3.1Å; N746-N750 VanDerWaalsContact O-CG 3.26Å; N746-N750 PolarHBondContact O-N 3.4Å; E747-N750 PolarHBondContact O-N 3.03Å; N750-T752 PolarHBondContact O-N 2.94Å; N750-T752 VanDerWaalsContact O-N 3.12Å; N750-N753 PolarHBondContact O-N 3.03Å; N750-D754 PolarHBondContact O-N 2.76Å
751	I	52.4	Low	54.8	Low	92 Å²	92	68.6 Å²	68.6	47%	0.472	36%	0.36	S	S	.	.	H	α-helix	trans	-55.3	-32.5	174.3	-70.4	165	0	0	0	110.6	E747 I755	E747-I751 HydrophobicContact CG-CD1 3.89Å; E747-I751 HydrophobicContact CG-CG1 4.48Å; E747-I751 WeakPolarHBondContact O-CB 3.43Å; E747-I751 WeakPolarHBondContact O-CD1 3.25Å; E747-I751 WeakPolarHBondContact O-CG1 3.26Å; E747-I751 PolarHBondContact O-N 3.4Å; I751-I755 HydrophobicContact CG2-CD1 4.02Å; I751-I755 WeakPolarHBondContact O-CD1 3.4Å; I751-I755 WeakPolarHBondContact O-CG1 3.46Å
752	T	46.3	Very low	54.6	Low	21 Å²	21	72.3 Å²	72.3	13%	0.129	38%	0.38	C	S	.	.	H	α-helix	trans	-83.5	-28.5	178.5	16.6	0	0	0	0	113.8	I692 Q693 I696 K748 F749 N750 I755 S756	I692-T752 HydrophobicContact CG2-CG2 4.24Å; I692-T752 WeakPolarHBondContact CG2-OG1 3.41Å; Q693-T752 HydrophobicContact CG-CG2 3.78Å; I696-T752 WeakPolarHBondContact CD1-OG1 3.24Å; K748-T752 PolarHBondContact O-OG1 2.7Å; F749-T752 PolarHBondContact O-N 3.33Å; F749-T752 PolarHBondContact O-OG1 2.85Å; F749-T752 VanDerWaalsContact O-OG1 3.09Å; N750-T752 PolarHBondContact O-N 2.94Å; N750-T752 VanDerWaalsContact O-N 3.12Å; T752-I755 PolarHBondContact O-N 2.73Å; T752-S756 PolarHBondContact O-N 3.01Å; T752-S756 VanDerWaalsContact O-N 3.13Å
753	N	43.2	Very low	54	Low	74 Å²	74	76.9 Å²	76.9	40%	0.396	41%	0.405	S	S	.	.	H	α-helix	trans	-71.3	-33.3	173.2	-85.4	-3.5	0	0	0	112.9	F749 N750 I755 S756	F749-N753 PolarHBondContact O-N 2.88Å; F749-N753 VanDerWaalsContact O-N 3.14Å; N750-N753 PolarHBondContact O-N 3.03Å; N753-I755 PolarHBondContact O-N 3.29Å; N753-S756 PolarHBondContact O-OG 3.25Å
754	D	37.3	Very low	53.4	Low	151 Å²	151	76.4 Å²	76.4	81%	0.807	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-19.5	174.6	-77.4	-19.1	0	0	0	112.5	N750	N750-D754 PolarHBondContact O-N 2.76Å
755	I	36	Very low	52.6	Low	126 Å²	126	73.4 Å²	73.4	65%	0.646	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-23.5	178.4	-66.4	170.1	0	0	0	112	I751 T752 N753	I751-I755 HydrophobicContact CG2-CD1 4.02Å; I751-I755 WeakPolarHBondContact O-CD1 3.4Å; I751-I755 WeakPolarHBondContact O-CG1 3.46Å; T752-I755 PolarHBondContact O-N 2.73Å; N753-I755 PolarHBondContact O-N 3.29Å
756	S	31.9	Very low	51.5	Low	140 Å²	140	79.8 Å²	79.8	98%	0.979	43%	0.434	S	S	*	.			trans	-82.9	0	175.6	66.8	0	0	0	0	111.9	T752 N753	T752-S756 PolarHBondContact O-N 3.01Å; T752-S756 VanDerWaalsContact O-N 3.13Å; N753-S756 PolarHBondContact O-OG 3.25Å

Retrieved 756 of 756 residues in 140.1 ms (Link to these results)

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