A0A077ZBJ6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZBJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 726 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	46.5	Very low	58.8	Low	123 Å²	123	63.3 Å²	63.3	61%	0.606	34%	0.335	S	S	*	.				0	-45.1	0	-153.1	179.4	-65.9	0	0	110.9	Q3 A4 L5 W95 L99	M1-Q3 PolarHBondContact O-N 3.32Å; M1-A4 WeakPolarHBondContact O-CB 3.37Å; M1-A4 PolarHBondContact O-N 3.43Å; M1-L5 PolarHBondContact O-N 3.02Å; M1-L5 VanDerWaalsContact O-N 3.1Å; M1-W95 HydrophobicContact SD-CB 3.34Å; M1-W95 WeakPolarHBondContact SD-CB 3.33Å; M1-W95 HydrophobicContact SD-CG 3.96Å; M1-L99 HydrophobicContact CG-CD1 3.98Å; M1-L99 HydrophobicContact SD-CD1 4.47Å
2	E	48.8	Very low	59.1	Low	68 Å²	68	58 Å²	58	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-54.1	-49.9	177.4	-59.5	-163.7	130.4	0	0	114.7	A4 L5 L6 I26 L88	E2-A4 PolarHBondContact O-N 3.38Å; E2-L5 WeakPolarHBondContact O-CB 3.36Å; E2-L5 PolarHBondContact O-N 3.24Å; E2-L5 VanDerWaalsContact O-N 3.11Å; E2-L6 WeakPolarHBondContact O-CB 3.4Å; E2-L6 PolarHBondContact O-N 2.89Å; E2-I26 HydrophobicContact CB-CD1 3.45Å; E2-I26 VanDerWaalsContact CB-CD1 3.45Å; E2-I26 HydrophobicContact CB-CG1 4.41Å; E2-I26 HydrophobicContact CG-CD1 3.5Å; E2-I26 VanDerWaalsContact CG-CD1 3.5Å; E2-L88 HydrophobicContact CG-CD1 4.13Å; E2-L88 HydrophobicContact CG-CD2 3.36Å; E2-L88 HydrophobicContact CG-CG 4.28Å; E2-L88 WeakPolarHBondContact OE1-CD1 3.46Å; E2-L88 WeakPolarHBondContact OE1-CD2 3.38Å
3	Q	59.8	Low	59.5	Low	170 Å²	170	53.8 Å²	53.8	79%	0.794	29%	0.286	S	S	*	.	H	α-helix	trans	-57.5	-34.3	176.5	-69.9	179.1	-7.5	0	0	112.5	M1 A7	M1-Q3 PolarHBondContact O-N 3.32Å; Q3-A7 WeakPolarHBondContact O-CB 3.46Å; Q3-A7 PolarHBondContact O-N 3.24Å
4	A	54.5	Low	60	Low	51 Å²	51	62.4 Å²	62.4	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-70.8	-41.7	177.7	0	0	0	0	0	111.2	M1 E2 A7 L8 L99	M1-A4 WeakPolarHBondContact O-CB 3.37Å; M1-A4 PolarHBondContact O-N 3.43Å; E2-A4 PolarHBondContact O-N 3.38Å; A4-A7 PolarHBondContact O-N 3.1Å; A4-L8 VanDerWaalsContact O-CB 3.31Å; A4-L8 WeakPolarHBondContact O-CB 3.34Å; A4-L8 PolarHBondContact O-N 3.1Å; A4-L99 HydrophobicContact CB-CD2 4.48Å
5	L	54.6	Low	60.2	Low	1 Å²	1	63.9 Å²	63.9	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-46.3	174.4	-82.2	152.6	0	0	0	112	M1 E2 A7 L8 A9 W95 L98 L99 F102	M1-L5 PolarHBondContact O-N 3.02Å; M1-L5 VanDerWaalsContact O-N 3.1Å; E2-L5 WeakPolarHBondContact O-CB 3.36Å; E2-L5 PolarHBondContact O-N 3.24Å; E2-L5 VanDerWaalsContact O-N 3.11Å; L5-A7 PolarHBondContact O-N 3.37Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-A9 WeakPolarHBondContact O-CB 3.17Å; L5-A9 PolarHBondContact O-N 3.01Å; L5-W95 HydrophobicContact CD1-CD2 4.17Å; L5-W95 HydrophobicContact CD1-CE3 3.21Å; L5-W95 HydrophobicContact CD1-CZ3 3.53Å; L5-L98 HydrophobicContact CD2-CB 4.5Å; L5-L98 HydrophobicContact CD2-CD2 3.94Å; L5-L98 HydrophobicContact CD2-CG 4.24Å; L5-L99 HydrophobicContact CD2-CD2 4.32Å; L5-L99 HydrophobicContact CD2-CG 3.87Å; L5-L99 HydrophobicContact CG-CD1 4.38Å; L5-L99 HydrophobicContact CG-CD2 4.21Å; L5-L99 HydrophobicContact CG-CG 3.92Å; L5-F102 HydrophobicContact CD2-CD2 3.91Å; L5-F102 HydrophobicContact CD2-CE2 4.06Å
6	L	62.2	Low	60	Low	27 Å²	27	60.9 Å²	60.9	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-44.8	173.6	-89.8	153.6	0	0	0	111.6	E2 L8 N10 K23 I26	E2-L6 WeakPolarHBondContact O-CB 3.4Å; E2-L6 PolarHBondContact O-N 2.89Å; L6-L8 PolarHBondContact O-N 3.45Å; L6-N10 WeakPolarHBondContact O-CB 3.43Å; L6-N10 VanDerWaalsContact O-CG 3.29Å; L6-N10 PolarHBondContact O-N 3.22Å; L6-N10 PolarHBondContact O-ND2 3.05Å; L6-K23 HydrophobicContact CD2-CB 4.42Å; L6-I26 HydrophobicContact CD1-CG1 4.03Å; L6-I26 HydrophobicContact CG-CG1 4.14Å
7	A	64.8	Low	60.2	Low	51 Å²	51	67.9 Å²	67.9	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-40.4	177.5	0	0	0	0	0	112.1	Q3 A4 L5 K11	Q3-A7 WeakPolarHBondContact O-CB 3.46Å; Q3-A7 PolarHBondContact O-N 3.24Å; A4-A7 PolarHBondContact O-N 3.1Å; L5-A7 PolarHBondContact O-N 3.37Å; A7-K11 WeakPolarHBondContact O-CB 3.47Å; A7-K11 WeakPolarHBondContact O-CG 3.46Å; A7-K11 PolarHBondContact O-N 3.2Å
8	L	62.2	Low	60.3	Low	29 Å²	29	66.2 Å²	66.2	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-75.2	-39.8	-179.1	-139.9	140.9	0	0	0	111.4	A4 L5 L6 K11 L12 L99 F102 N106	A4-L8 VanDerWaalsContact O-CB 3.31Å; A4-L8 WeakPolarHBondContact O-CB 3.34Å; A4-L8 PolarHBondContact O-N 3.1Å; L5-L8 PolarHBondContact O-N 3.07Å; L6-L8 PolarHBondContact O-N 3.45Å; L8-K11 WeakPolarHBondContact O-CB 3.19Å; L8-K11 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 3.35Å; L8-L99 HydrophobicContact CD1-CD2 4.49Å; L8-F102 HydrophobicContact CD2-CB 3.35Å; L8-F102 VanDerWaalsContact CD2-O 3.29Å; L8-F102 WeakPolarHBondContact CD2-O 3.38Å; L8-N106 HydrophobicContact CD2-CB 4.1Å
9	A	61.6	Low	60.1	Low	3 Å²	3	73.6 Å²	73.6	3%	0.025	36%	0.362	C	S	.	.	H	α-helix	trans	-60.8	-44.2	171.5	0	0	0	0	0	111.7	L5 L12 A13 L29 F33	L5-A9 WeakPolarHBondContact O-CB 3.17Å; L5-A9 PolarHBondContact O-N 3.01Å; A9-L12 PolarHBondContact O-N 3.46Å; A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 3.14Å; A9-L29 HydrophobicContact CB-CD2 4.03Å; A9-F33 HydrophobicContact CB-CE1 4.15Å; A9-F33 HydrophobicContact CB-CZ 3.9Å
10	N	65.4	Low	59.8	Low	49 Å²	49	79.1 Å²	79.1	26%	0.262	39%	0.386	S	S	.	.	H	α-helix	trans	-67.2	-36.9	175.8	-78.2	-40.9	0	0	0	112.2	L6 K14 A21 K23	L6-N10 WeakPolarHBondContact O-CB 3.43Å; L6-N10 VanDerWaalsContact O-CG 3.29Å; L6-N10 PolarHBondContact O-N 3.22Å; L6-N10 PolarHBondContact O-ND2 3.05Å; N10-K14 WeakPolarHBondContact O-CB 3.49Å; N10-K14 PolarHBondContact O-N 3.48Å; N10-A21 PolarHBondContact OD1-O 3.07Å; N10-K23 PolarHBondContact ND2-O 2.89Å; N10-K23 VanDerWaalsContact ND2-O 3.12Å; N10-K23 PolarHBondContact OD1-N 3.48Å
11	K	66.6	Low	59.5	Low	124 Å²	124	75.5 Å²	75.5	54%	0.539	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-44.9	170.8	-83.4	179.6	179.1	-179.6	0	111.3	A7 L8 K14 H15	A7-K11 WeakPolarHBondContact O-CB 3.47Å; A7-K11 WeakPolarHBondContact O-CG 3.46Å; A7-K11 PolarHBondContact O-N 3.2Å; L8-K11 WeakPolarHBondContact O-CB 3.19Å; L8-K11 PolarHBondContact O-N 3.37Å; K11-K14 WeakPolarHBondContact O-CB 3.48Å; K11-K14 PolarHBondContact O-N 2.99Å; K11-H15 PolarHBondContact O-CD2 3.37Å; K11-H15 PolarHBondContact O-N 3.26Å
12	L	61.8	Low	60	Low	0 Å²	0	79 Å²	79	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-69.6	-38.9	-177.5	-152.6	156.1	0	0	0	111.3	L8 A9 K14 H15 A16 L37 I41 F102 L105 N106 L109	L8-L12 VanDerWaalsContact O-CB 3.24Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 PolarHBondContact O-N 3.35Å; A9-L12 PolarHBondContact O-N 3.46Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.85Å; L12-H15 PolarHBondContact O-N 3.34Å; L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.08Å; L12-L37 HydrophobicContact CD2-CD1 3.23Å; L12-L37 HydrophobicContact CD2-CD2 3.72Å; L12-L37 HydrophobicContact CD2-CG 3.77Å; L12-I41 HydrophobicContact CD2-CD1 4.08Å; L12-F102 HydrophobicContact CD1-CB 4.11Å; L12-F102 HydrophobicContact CD1-CD1 3.72Å; L12-F102 HydrophobicContact CD1-CG 4.38Å; L12-F102 WeakPolarHBondContact CD1-O 3.32Å; L12-L105 HydrophobicContact CD1-CB 3.54Å; L12-L105 HydrophobicContact CD1-CD1 4.21Å; L12-L105 HydrophobicContact CG-CB 4.35Å; L12-N106 HydrophobicContact CD1-CB 4.48Å; L12-L109 HydrophobicContact CD2-CD1 3.96Å; L12-L109 HydrophobicContact CG-CD1 4.23Å
13	A	64.1	Low	60.3	Low	4 Å²	4	77.3 Å²	77.3	3%	0.033	37%	0.373	C	S	.	.	H	α-helix	trans	-59.2	-42.3	169.1	0	0	0	0	0	112	A9 A16 K17 L18 A21 F33	A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 3.14Å; A13-A16 CarbonylContact O-C 3.59Å; A13-A16 PolarHBondContact O-N 3.07Å; A13-K17 PolarHBondContact O-N 2.84Å; A13-L18 HydrophobicContact CB-CB 4.3Å; A13-L18 PolarHBondContact O-N 2.89Å; A13-A21 HydrophobicContact CB-CB 4.13Å; A13-F33 HydrophobicContact CB-CE2 4.23Å
14	K	67	Low	60	Low	173 Å²	173	74.8 Å²	74.8	75%	0.752	37%	0.37	S	S	*	.	H	α-helix	trans	-63.6	-46.1	175	-169.4	-177.3	-179.7	-174.8	0	111.8	N10 K11 L12 A16 K17	N10-K14 WeakPolarHBondContact O-CB 3.49Å; N10-K14 PolarHBondContact O-N 3.48Å; K11-K14 WeakPolarHBondContact O-CB 3.48Å; K11-K14 PolarHBondContact O-N 2.99Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-K14 PolarHBondContact O-N 2.85Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.01Å; K14-K17 PolarHBondContact O-N 3.04Å
15	H	63.2	Low	59.9	Low	86 Å²	86	74 Å²	74	40%	0.398	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-34.1	176.7	-77.8	-68.8	0	0	0	112.6	K11 L12 K17 N106 L109	K11-H15 PolarHBondContact O-CD2 3.37Å; K11-H15 PolarHBondContact O-N 3.26Å; L12-H15 PolarHBondContact O-N 3.34Å; H15-K17 VanDerWaalsContact C-N 3.25Å; H15-K17 PolarHBondContact O-N 3.01Å; H15-N106 PolarHBondContact CD2-OD1 3.18Å; H15-L109 HydrophobicContact CB-CB 4.1Å
16	A	56.4	Low	59.6	Low	16 Å²	16	75.2 Å²	75.2	13%	0.132	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.6	177.2	0	0	0	0	0	114	L12 A13 K14 L18 A40	L12-A16 WeakPolarHBondContact O-CB 3.38Å; L12-A16 PolarHBondContact O-N 3.08Å; A13-A16 CarbonylContact O-C 3.59Å; A13-A16 PolarHBondContact O-N 3.07Å; K14-A16 VanDerWaalsContact C-N 3.33Å; K14-A16 PolarHBondContact O-N 3.01Å; A16-L18 HydrophobicContact CB-CD1 4.21Å; A16-L18 HydrophobicContact CB-CG 4.17Å; A16-L18 PolarHBondContact O-N 3.21Å; A16-A40 HydrophobicContact CB-CB 3.8Å
17	K	63.8	Low	59.1	Low	179 Å²	179	79.1 Å²	79.1	78%	0.778	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	28.9	-177.9	-58.4	-179.7	-179.3	176.1	0	114.1	A13 K14 H15 K19	A13-K17 PolarHBondContact O-N 2.84Å; K14-K17 PolarHBondContact O-N 3.04Å; H15-K17 VanDerWaalsContact C-N 3.25Å; H15-K17 PolarHBondContact O-N 3.01Å; K17-K19 VanDerWaalsContact C-N 3.31Å; K17-K19 PolarHBondContact O-N 3.02Å
18	L	61.9	Low	58.4	Low	37 Å²	37	80.1 Å²	80.1	19%	0.194	39%	0.388	C	S	.	.			trans	-77.7	81.1	174	-68.1	172.3	0	0	0	109.1	A13 A16 E20 A21 Q36 L37 A40	A13-L18 HydrophobicContact CB-CB 4.3Å; A13-L18 PolarHBondContact O-N 2.89Å; A16-L18 HydrophobicContact CB-CD1 4.21Å; A16-L18 HydrophobicContact CB-CG 4.17Å; A16-L18 PolarHBondContact O-N 3.21Å; L18-E20 PolarHBondContact O-N 3.01Å; L18-E20 VanDerWaalsContact O-N 3.07Å; L18-A21 HydrophobicContact CB-CB 3.97Å; L18-A21 PolarHBondContact O-N 3.36Å; L18-Q36 HydrophobicContact CD1-CB 4.1Å; L18-Q36 HydrophobicContact CD2-CB 4.05Å; L18-L37 HydrophobicContact CD1-CD1 4.06Å; L18-A40 HydrophobicContact CD1-CB 4.2Å; L18-A40 HydrophobicContact CD2-CB 3.85Å; L18-A40 HydrophobicContact CG-CB 3.95Å
19	K	56.1	Low	58	Low	207 Å²	207	80.8 Å²	80.8	90%	0.9	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.2	-174.1	-73.2	-172.5	176.7	-175.5	0	114.5	K17	K17-K19 VanDerWaalsContact C-N 3.31Å; K17-K19 PolarHBondContact O-N 3.02Å
20	E	55.4	Low	57.6	Low	183 Å²	183	85.1 Å²	85.1	86%	0.855	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	4.3	-177	-66.5	179	171.6	0	0	114.1	L18	L18-E20 PolarHBondContact O-N 3.01Å; L18-E20 VanDerWaalsContact O-N 3.07Å
21	A	52.7	Low	56.7	Low	4 Å²	4	86.3 Å²	86.3	3%	0.033	43%	0.431	C	S	.	.			trans	-111.8	43.3	-169.9	0	0	0	0	0	114.1	N10 A13 L18 K23	N10-A21 PolarHBondContact OD1-O 3.07Å; A13-A21 HydrophobicContact CB-CB 4.13Å; L18-A21 HydrophobicContact CB-CB 3.97Å; L18-A21 PolarHBondContact O-N 3.36Å; A21-K23 PolarHBondContact O-N 2.99Å
22	K	56.4	Low	56.1	Low	197 Å²	197	87.6 Å²	87.6	86%	0.857	44%	0.437	S	S	*	.			trans	-73.1	107.3	160.4	-91.8	-172.3	177.8	-179.5	0	107.4
23	K	55.6	Low	55.8	Low	33 Å²	33	87.8 Å²	87.8	14%	0.143	44%	0.438	C	S	.	.			trans	-98.3	134.4	179	-58.2	-144.4	168.8	-145	0	110.7	L6 N10 A21 E28 F33	L6-K23 HydrophobicContact CD2-CB 4.42Å; N10-K23 PolarHBondContact ND2-O 2.89Å; N10-K23 VanDerWaalsContact ND2-O 3.12Å; N10-K23 PolarHBondContact OD1-N 3.48Å; A21-K23 PolarHBondContact O-N 2.99Å; K23-E28 WeakPolarHBondContact CA-OE2 3.46Å; K23-E28 HydrophobicContact CB-CB 4.38Å; K23-E28 HydrophobicContact CD-CB 3.87Å; K23-E28 WeakPolarHBondContact CD-O 3.5Å; K23-E28 WeakPolarHBondContact CE-O 3.28Å; K23-E28 PolarHBondContact NZ-O 2.92Å; K23-F33 HydrophobicContact CD-CB 4.36Å; K23-F33 HydrophobicContact CD-CD2 4.11Å; K23-F33 HydrophobicContact CD-CG 4.35Å
24	T	52.7	Low	55.3	Low	117 Å²	117	89 Å²	89	72%	0.718	45%	0.447	S	S	*	.			trans	-99.5	-18.8	-174.3	65.3	0	0	0	0	112.9	E28	T24-E28 PolarHBondContact N-OE2 2.92Å; T24-E28 PolarHBondContact OG1-OE1 3.37Å; T24-E28 PolarHBondContact OG1-OE2 3.43Å
25	S	54.1	Low	54.6	Low	33 Å²	33	85.1 Å²	85.1	23%	0.231	43%	0.432	C	S	.	.	S	Bend	trans	-143.4	159.2	-179.3	67.2	0	0	0	0	112.8	T27 E28	S25-T27 VanDerWaalsContact C-N 3.3Å; S25-T27 PolarHBondContact OG-OG1 3.44Å; S25-E28 WeakPolarHBondContact O-CB 3.14Å; S25-E28 PolarHBondContact O-N 2.9Å; S25-E28 VanDerWaalsContact OG-CG 3.31Å; S25-E28 WeakPolarHBondContact OG-CG 3.33Å; S25-E28 PolarHBondContact OG-N 2.94Å
26	I	48.5	Very low	54.3	Low	27 Å²	27	84 Å²	84	14%	0.138	43%	0.426	C	S	.	.	S	Bend	trans	-68.1	-30.4	175.1	-89.3	-178.3	0	0	0	112.2	E2 L6 E28 L29 W95	E2-I26 HydrophobicContact CB-CD1 3.45Å; E2-I26 VanDerWaalsContact CB-CD1 3.45Å; E2-I26 HydrophobicContact CB-CG1 4.41Å; E2-I26 HydrophobicContact CG-CD1 3.5Å; E2-I26 VanDerWaalsContact CG-CD1 3.5Å; L6-I26 HydrophobicContact CD1-CG1 4.03Å; L6-I26 HydrophobicContact CG-CG1 4.14Å; I26-E28 PolarHBondContact O-N 3.33Å; I26-L29 HydrophobicContact CG1-CD1 4.03Å; I26-L29 VanDerWaalsContact O-CB 3.29Å; I26-L29 WeakPolarHBondContact O-CB 3.36Å; I26-L29 PolarHBondContact O-N 3.02Å; I26-W95 HydrophobicContact CD1-CH2 4.12Å; I26-W95 HydrophobicContact CD1-CZ3 4.24Å; I26-W95 HydrophobicContact CG2-CH2 4.17Å
27	T	49.9	Very low	54.3	Low	109 Å²	109	83.5 Å²	83.5	67%	0.669	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.3	173.9	47.2	0	0	0	0	111.6	S25 L29	S25-T27 VanDerWaalsContact C-N 3.3Å; S25-T27 PolarHBondContact OG-OG1 3.44Å; T27-L29 VanDerWaalsContact C-N 3.31Å; T27-L29 PolarHBondContact O-N 3.15Å
28	E	50.7	Low	53.8	Low	73 Å²	73	78.2 Å²	78.2	34%	0.341	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-4.8	172	-66.8	168.7	-177	0	0	113.6	K23 T24 S25 I26 D30	K23-E28 WeakPolarHBondContact CA-OE2 3.46Å; K23-E28 HydrophobicContact CB-CB 4.38Å; K23-E28 HydrophobicContact CD-CB 3.87Å; K23-E28 WeakPolarHBondContact CD-O 3.5Å; K23-E28 WeakPolarHBondContact CE-O 3.28Å; K23-E28 PolarHBondContact NZ-O 2.92Å; T24-E28 PolarHBondContact N-OE2 2.92Å; T24-E28 PolarHBondContact OG1-OE1 3.37Å; T24-E28 PolarHBondContact OG1-OE2 3.43Å; S25-E28 WeakPolarHBondContact O-CB 3.14Å; S25-E28 PolarHBondContact O-N 2.9Å; S25-E28 VanDerWaalsContact OG-CG 3.31Å; S25-E28 WeakPolarHBondContact OG-CG 3.33Å; S25-E28 PolarHBondContact OG-N 2.94Å; I26-E28 PolarHBondContact O-N 3.33Å; E28-D30 PolarHBondContact O-N 3.36Å
29	L	53.3	Low	53.4	Low	42 Å²	42	81.9 Å²	81.9	22%	0.22	41%	0.412	C	S	.	.			trans	-70.2	41	167.9	-76.6	162.1	0	0	0	112.2	A9 I26 T27 F33	A9-L29 HydrophobicContact CB-CD2 4.03Å; I26-L29 HydrophobicContact CG1-CD1 4.03Å; I26-L29 VanDerWaalsContact O-CB 3.29Å; I26-L29 WeakPolarHBondContact O-CB 3.36Å; I26-L29 PolarHBondContact O-N 3.02Å; T27-L29 VanDerWaalsContact C-N 3.31Å; T27-L29 PolarHBondContact O-N 3.15Å; L29-F33 HydrophobicContact CD2-CD1 3.39Å; L29-F33 HydrophobicContact CD2-CE1 3.54Å; L29-F33 HydrophobicContact CD2-CG 4.11Å; L29-F33 HydrophobicContact CD2-CZ 4.36Å
30	D	54.6	Low	53.3	Low	94 Å²	94	73.2 Å²	73.2	50%	0.503	38%	0.379	S	S	.	.			trans	-66.6	165.1	-176.7	-160.6	7.5	0	0	0	111.5	E28 K32 F33 A34	E28-D30 PolarHBondContact O-N 3.36Å; D30-K32 PolarHBondContact O-N 3.16Å; D30-F33 WeakPolarHBondContact O-CB 3.36Å; D30-F33 PolarHBondContact O-N 2.93Å; D30-A34 PolarHBondContact O-N 2.92Å
31	A	46.1	Very low	53	Low	75 Å²	75	65.8 Å²	65.8	62%	0.62	35%	0.345	S	S	*	.	H	α-helix	trans	-51.4	-28.7	179.7	0	0	0	0	0	112.7	A34 H35	A31-A34 PolarHBondContact O-N 3.44Å; A31-H35 VanDerWaalsContact O-CB 3.24Å; A31-H35 WeakPolarHBondContact O-CB 3.37Å; A31-H35 PolarHBondContact O-N 3.45Å
32	K	52.9	Low	52.7	Low	150 Å²	150	66 Å²	66	65%	0.652	35%	0.346	S	S	*	.	H	α-helix	trans	-59.3	-41.2	171.3	-75.1	-177	179.9	174.8	0	113.4	D30 H35 Q36	D30-K32 PolarHBondContact O-N 3.16Å; K32-H35 PolarHBondContact O-N 2.61Å; K32-Q36 WeakPolarHBondContact O-CB 3.31Å; K32-Q36 VanDerWaalsContact O-CG 3.25Å; K32-Q36 WeakPolarHBondContact O-CG 3.4Å; K32-Q36 PolarHBondContact O-N 3.06Å
33	F	56.4	Low	52.2	Low	5 Å²	5	58.9 Å²	58.9	2%	0.022	32%	0.319	C	S	.	.	H	α-helix	trans	-66.5	-48.5	177.2	-179	-108.5	0	0	0	111.1	A9 A13 K23 L29 D30 H35 Q36 L37 F102	A9-F33 HydrophobicContact CB-CE1 4.15Å; A9-F33 HydrophobicContact CB-CZ 3.9Å; A13-F33 HydrophobicContact CB-CE2 4.23Å; K23-F33 HydrophobicContact CD-CB 4.36Å; K23-F33 HydrophobicContact CD-CD2 4.11Å; K23-F33 HydrophobicContact CD-CG 4.35Å; L29-F33 HydrophobicContact CD2-CD1 3.39Å; L29-F33 HydrophobicContact CD2-CE1 3.54Å; L29-F33 HydrophobicContact CD2-CG 4.11Å; L29-F33 HydrophobicContact CD2-CZ 4.36Å; D30-F33 WeakPolarHBondContact O-CB 3.36Å; D30-F33 PolarHBondContact O-N 2.93Å; F33-H35 PolarHBondContact O-N 2.93Å; F33-Q36 PolarHBondContact O-N 3.34Å; F33-Q36 VanDerWaalsContact O-N 3.15Å; F33-L37 HydrophobicContact CE1-CD1 4.37Å; F33-L37 HydrophobicContact CE2-CD1 4.36Å; F33-L37 HydrophobicContact CZ-CD1 3.94Å; F33-L37 WeakPolarHBondContact O-CB 3.47Å; F33-L37 PolarHBondContact O-N 3.12Å; F33-F102 HydrophobicContact CE1-CE1 4.2Å; F33-F102 HydrophobicContact CE1-CZ 4.25Å
34	A	54.4	Low	51.5	Low	28 Å²	28	60.1 Å²	60.1	23%	0.231	33%	0.33	C	S	.	.	H	α-helix	trans	-57.8	-40.4	176.2	0	0	0	0	0	111.2	D30 A31 L37 Y38	D30-A34 PolarHBondContact O-N 2.92Å; A31-A34 PolarHBondContact O-N 3.44Å; A34-L37 PolarHBondContact O-N 3.25Å; A34-Y38 VanDerWaalsContact O-CB 3.31Å; A34-Y38 WeakPolarHBondContact O-CB 3.22Å; A34-Y38 PolarHBondContact O-N 3.24Å
35	H	50.7	Low	50.8	Low	93 Å²	93	57 Å²	57	43%	0.431	31%	0.311	S	S	.	.	H	α-helix	trans	-68.7	-38.1	175.7	-173.1	77.8	0	0	0	113.5	A31 K32 F33 Y38 K39	A31-H35 VanDerWaalsContact O-CB 3.24Å; A31-H35 WeakPolarHBondContact O-CB 3.37Å; A31-H35 PolarHBondContact O-N 3.45Å; K32-H35 PolarHBondContact O-N 2.61Å; F33-H35 PolarHBondContact O-N 2.93Å; H35-Y38 WeakPolarHBondContact O-CB 3.44Å; H35-K39 WeakPolarHBondContact NE2-CE 3.34Å; H35-K39 PolarHBondContact NE2-NZ 3.31Å; H35-K39 WeakPolarHBondContact O-CB 3.38Å; H35-K39 WeakPolarHBondContact O-CG 3.29Å; H35-K39 PolarHBondContact O-N 3.07Å
36	Q	57.5	Low	49.9	Very low	61 Å²	61	57.7 Å²	57.7	29%	0.285	31%	0.311	S	S	.	.	H	α-helix	trans	-68	-39.2	174	-78.5	176	-8.9	0	0	111.5	L18 K32 F33 K39 A40	L18-Q36 HydrophobicContact CD1-CB 4.1Å; L18-Q36 HydrophobicContact CD2-CB 4.05Å; K32-Q36 WeakPolarHBondContact O-CB 3.31Å; K32-Q36 VanDerWaalsContact O-CG 3.25Å; K32-Q36 WeakPolarHBondContact O-CG 3.4Å; K32-Q36 PolarHBondContact O-N 3.06Å; F33-Q36 PolarHBondContact O-N 3.34Å; F33-Q36 VanDerWaalsContact O-N 3.15Å; Q36-K39 PolarHBondContact O-N 2.81Å; Q36-A40 WeakPolarHBondContact O-CB 3.48Å; Q36-A40 PolarHBondContact O-N 3.38Å
37	L	56.7	Low	49.2	Very low	7 Å²	7	61.6 Å²	61.6	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-44.1	175.1	-149.3	77.2	0	0	0	111.2	L12 L18 F33 A34 A40 I41 F102 L105	L12-L37 HydrophobicContact CD2-CD1 3.23Å; L12-L37 HydrophobicContact CD2-CD2 3.72Å; L12-L37 HydrophobicContact CD2-CG 3.77Å; L18-L37 HydrophobicContact CD1-CD1 4.06Å; F33-L37 HydrophobicContact CE1-CD1 4.37Å; F33-L37 HydrophobicContact CE2-CD1 4.36Å; F33-L37 HydrophobicContact CZ-CD1 3.94Å; F33-L37 WeakPolarHBondContact O-CB 3.47Å; F33-L37 PolarHBondContact O-N 3.12Å; A34-L37 PolarHBondContact O-N 3.25Å; L37-A40 PolarHBondContact O-N 3.19Å; L37-I41 HydrophobicContact CD2-CD1 4.04Å; L37-I41 HydrophobicContact CG-CD1 3.75Å; L37-I41 HydrophobicContact CG-CG1 4.47Å; L37-I41 WeakPolarHBondContact O-CB 3.45Å; L37-I41 VanDerWaalsContact O-CG1 3.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.12Å; L37-I41 PolarHBondContact O-N 3.39Å; L37-F102 HydrophobicContact CD2-CE1 4.18Å; L37-L105 HydrophobicContact CD2-CD1 4.13Å
38	Y	53.2	Low	48.5	Very low	67 Å²	67	65.8 Å²	65.8	26%	0.263	34%	0.342	S	S	.	.	H	α-helix	trans	-55.5	-50.4	170.4	173.4	-117.2	0	0	0	111.2	A34 H35 A40 C42 V43 L62	A34-Y38 VanDerWaalsContact O-CB 3.31Å; A34-Y38 WeakPolarHBondContact O-CB 3.22Å; A34-Y38 PolarHBondContact O-N 3.24Å; H35-Y38 WeakPolarHBondContact O-CB 3.44Å; Y38-A40 PolarHBondContact O-N 3.18Å; Y38-C42 HydrophobicContact CD2-CB 3.47Å; Y38-C42 VanDerWaalsContact CD2-CB 3.47Å; Y38-C42 VanDerWaalsContact CD2-SG 3.55Å; Y38-C42 HydrophobicContact CE2-CB 3.48Å; Y38-C42 VanDerWaalsContact CE2-CB 3.48Å; Y38-C42 HydrophobicContact CG-CB 4.41Å; Y38-C42 VanDerWaalsContact O-CA 3.3Å; Y38-C42 WeakPolarHBondContact O-CA 3.23Å; Y38-C42 WeakPolarHBondContact O-CB 3.48Å; Y38-C42 PolarHBondContact O-N 2.56Å; Y38-V43 PolarHBondContact O-N 3.23Å; Y38-L62 HydrophobicContact CD2-CD1 3.09Å; Y38-L62 HydrophobicContact CD2-CD2 3.62Å; Y38-L62 HydrophobicContact CD2-CG 3.96Å; Y38-L62 HydrophobicContact CE2-CD1 3.78Å; Y38-L62 HydrophobicContact CE2-CD2 3.7Å; Y38-L62 HydrophobicContact CE2-CG 4.34Å; Y38-L62 HydrophobicContact CG-CD1 3.77Å; Y38-L62 HydrophobicContact CG-CD2 3.99Å; Y38-L62 HydrophobicContact CG-CG 4.49Å
39	K	54.1	Low	47.9	Very low	114 Å²	114	64.8 Å²	64.8	50%	0.496	34%	0.339	S	S	.	.	H	α-helix	trans	-60	-46	177.1	-81.2	-179.3	167	165.5	0	111.3	H35 Q36 V43 P44	H35-K39 WeakPolarHBondContact NE2-CE 3.34Å; H35-K39 PolarHBondContact NE2-NZ 3.31Å; H35-K39 WeakPolarHBondContact O-CB 3.38Å; H35-K39 WeakPolarHBondContact O-CG 3.29Å; H35-K39 PolarHBondContact O-N 3.07Å; Q36-K39 PolarHBondContact O-N 2.81Å; K39-V43 HydrophobicContact CB-CG2 4.27Å; K39-V43 HydrophobicContact CG-CG2 4.12Å; K39-V43 WeakPolarHBondContact O-CA 3.46Å; K39-V43 WeakPolarHBondContact O-CB 3.34Å; K39-V43 WeakPolarHBondContact O-CG2 3.4Å; K39-V43 PolarHBondContact O-N 2.84Å; K39-P44 WeakPolarHBondContact O-CD 3.26Å
40	A	52.7	Low	47.3	Very low	26 Å²	26	64.7 Å²	64.7	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-75.1	-28.4	-175.1	0	0	0	0	0	114.7	A16 L18 Q36 L37 Y38 P44	A16-A40 HydrophobicContact CB-CB 3.8Å; L18-A40 HydrophobicContact CD1-CB 4.2Å; L18-A40 HydrophobicContact CD2-CB 3.85Å; L18-A40 HydrophobicContact CG-CB 3.95Å; Q36-A40 WeakPolarHBondContact O-CB 3.48Å; Q36-A40 PolarHBondContact O-N 3.38Å; L37-A40 PolarHBondContact O-N 3.19Å; Y38-A40 PolarHBondContact O-N 3.18Å; A40-P44 VanDerWaalsContact O-CD 3.31Å; A40-P44 WeakPolarHBondContact O-CD 3.36Å; A40-P44 VanDerWaalsContact O-CG 3.26Å; A40-P44 WeakPolarHBondContact O-CG 3.39Å
41	I	50.2	Low	46.4	Very low	27 Å²	27	60.3 Å²	60.3	14%	0.138	32%	0.317	C	S	.	.	H	α-helix	trans	-93.5	-53.9	179	-60.3	174.4	0	0	0	109.6	L12 L37 V45 L105 L109	L12-I41 HydrophobicContact CD2-CD1 4.08Å; L37-I41 HydrophobicContact CD2-CD1 4.04Å; L37-I41 HydrophobicContact CG-CD1 3.75Å; L37-I41 HydrophobicContact CG-CG1 4.47Å; L37-I41 WeakPolarHBondContact O-CB 3.45Å; L37-I41 VanDerWaalsContact O-CG1 3.31Å; L37-I41 WeakPolarHBondContact O-CG1 3.12Å; L37-I41 PolarHBondContact O-N 3.39Å; I41-V45 WeakPolarHBondContact O-CB 3.45Å; I41-V45 WeakPolarHBondContact O-CG2 3.34Å; I41-V45 PolarHBondContact O-N 2.72Å; I41-L105 HydrophobicContact CD1-CD1 4.26Å; I41-L105 HydrophobicContact CD1-CD2 4.02Å; I41-L109 HydrophobicContact CD1-CD1 3.92Å; I41-L109 HydrophobicContact CG1-CD1 4.03Å
42	C	46.5	Very low	46	Very low	9 Å²	9	59.2 Å²	59.2	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-82.1	-32.7	-171.7	-56.4	0	0	0	0	112.3	Y38 V45 M46	Y38-C42 HydrophobicContact CD2-CB 3.47Å; Y38-C42 VanDerWaalsContact CD2-CB 3.47Å; Y38-C42 VanDerWaalsContact CD2-SG 3.55Å; Y38-C42 HydrophobicContact CE2-CB 3.48Å; Y38-C42 VanDerWaalsContact CE2-CB 3.48Å; Y38-C42 HydrophobicContact CG-CB 4.41Å; Y38-C42 VanDerWaalsContact O-CA 3.3Å; Y38-C42 WeakPolarHBondContact O-CA 3.23Å; Y38-C42 WeakPolarHBondContact O-CB 3.48Å; Y38-C42 PolarHBondContact O-N 2.56Å; C42-V45 CarbonylContact O-C 3.58Å; C42-V45 PolarHBondContact O-N 3.41Å; C42-M46 HydrophobicContact CB-CE 4.24Å; C42-M46 WeakPolarHBondContact O-CB 3.24Å; C42-M46 WeakPolarHBondContact O-CG 3.48Å; C42-M46 PolarHBondContact O-N 2.94Å
43	V	45.2	Very low	45.1	Very low	46 Å²	46	54.4 Å²	54.4	28%	0.279	29%	0.289	S	S	.	.	H	α-helix	trans	-69.5	-47.5	179.8	178.5	0	0	0	0	112.3	Y38 K39 V45 M46 D47	Y38-V43 PolarHBondContact O-N 3.23Å; K39-V43 HydrophobicContact CB-CG2 4.27Å; K39-V43 HydrophobicContact CG-CG2 4.12Å; K39-V43 WeakPolarHBondContact O-CA 3.46Å; K39-V43 WeakPolarHBondContact O-CB 3.34Å; K39-V43 WeakPolarHBondContact O-CG2 3.4Å; K39-V43 PolarHBondContact O-N 2.84Å; V43-V45 PolarHBondContact O-N 2.7Å; V43-M46 HydrophobicContact CG2-CE 3.87Å; V43-M46 CarbonylContact O-C 3.46Å; V43-M46 PolarHBondContact O-N 3.24Å; V43-M46 VanDerWaalsContact O-N 3.1Å; V43-D47 WeakPolarHBondContact CG1-OD2 3.46Å; V43-D47 VanDerWaalsContact O-CB 3.29Å; V43-D47 WeakPolarHBondContact O-CB 3.47Å; V43-D47 PolarHBondContact O-N 3.46Å
44	P	40.5	Very low	44.2	Very low	60 Å²	60	57.6 Å²	57.6	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-60.9	-32.6	173	-26.6	36	0	0	0	113	K39 A40 F48	K39-P44 WeakPolarHBondContact O-CD 3.26Å; A40-P44 VanDerWaalsContact O-CD 3.31Å; A40-P44 WeakPolarHBondContact O-CD 3.36Å; A40-P44 VanDerWaalsContact O-CG 3.26Å; A40-P44 WeakPolarHBondContact O-CG 3.39Å; P44-F48 VanDerWaalsContact O-CB 3.28Å; P44-F48 WeakPolarHBondContact O-CB 3.22Å; P44-F48 WeakPolarHBondContact O-CD2 3.36Å; P44-F48 PolarHBondContact O-N 3.47Å
45	V	37.4	Very low	43.1	Very low	52 Å²	52	60.2 Å²	60.2	32%	0.315	31%	0.31	S	S	.	.	H	α-helix	trans	-73.6	-35.9	176.5	170.3	0	0	0	0	111.5	I41 C42 V43 D49 L52	I41-V45 WeakPolarHBondContact O-CB 3.45Å; I41-V45 WeakPolarHBondContact O-CG2 3.34Å; I41-V45 PolarHBondContact O-N 2.72Å; C42-V45 CarbonylContact O-C 3.58Å; C42-V45 PolarHBondContact O-N 3.41Å; V43-V45 PolarHBondContact O-N 2.7Å; V45-D49 CarbonylContact O-C 3.56Å; V45-D49 PolarHBondContact O-N 2.79Å; V45-L52 HydrophobicContact CG1-CB 3.61Å; V45-L52 HydrophobicContact CG1-CD1 3.25Å; V45-L52 HydrophobicContact CG1-CG 3.93Å
46	M	35.6	Very low	42.4	Very low	46 Å²	46	59.1 Å²	59.1	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-75	-25.9	172.7	-71.3	-172.8	-57.3	0	0	112.3	C42 V43 P50 A53	C42-M46 HydrophobicContact CB-CE 4.24Å; C42-M46 WeakPolarHBondContact O-CB 3.24Å; C42-M46 WeakPolarHBondContact O-CG 3.48Å; C42-M46 PolarHBondContact O-N 2.94Å; V43-M46 HydrophobicContact CG2-CE 3.87Å; V43-M46 CarbonylContact O-C 3.46Å; V43-M46 PolarHBondContact O-N 3.24Å; V43-M46 VanDerWaalsContact O-N 3.1Å; M46-P50 WeakPolarHBondContact O-CG 3.15Å; M46-A53 HydrophobicContact CG-CB 3.88Å; M46-A53 HydrophobicContact SD-CB 3.99Å
47	D	35.1	Very low	41.4	Very low	110 Å²	110	59.6 Å²	59.6	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-83.9	-33.7	176.9	-72	-20.7	0	0	0	112.4	V43	V43-D47 WeakPolarHBondContact CG1-OD2 3.46Å; V43-D47 VanDerWaalsContact O-CB 3.29Å; V43-D47 WeakPolarHBondContact O-CB 3.47Å; V43-D47 PolarHBondContact O-N 3.46Å
48	F	34.7	Very low	40.7	Very low	196 Å²	196	60 Å²	60	86%	0.86	32%	0.322	S	S	*	.	H	α-helix	trans	-82.8	-31.7	174.1	-96	-95.6	0	0	0	112.9	P44	P44-F48 VanDerWaalsContact O-CB 3.28Å; P44-F48 WeakPolarHBondContact O-CB 3.22Å; P44-F48 WeakPolarHBondContact O-CD2 3.36Å; P44-F48 PolarHBondContact O-N 3.47Å
49	D	38.1	Very low	39.9	Very low	52 Å²	52	61.4 Å²	61.4	28%	0.278	34%	0.338	S	S	.	.			trans	-150.4	91.7	-179	-168.5	-2.9	0	0	0	110.7	V45 V51 L52	V45-D49 CarbonylContact O-C 3.56Å; V45-D49 PolarHBondContact O-N 2.79Å; D49-V51 PolarHBondContact O-N 2.87Å; D49-V51 WeakPolarHBondContact OD1-CB 3.48Å; D49-V51 WeakPolarHBondContact OD1-CG2 3.4Å; D49-V51 PolarHBondContact OD1-N 2.91Å; D49-L52 HydrophobicContact CB-CD1 4.04Å; D49-L52 HydrophobicContact CB-CG 4.49Å; D49-L52 WeakPolarHBondContact O-CB 3.29Å; D49-L52 PolarHBondContact O-N 2.93Å
50	P	39.6	Very low	39.1	Very low	41 Å²	41	60.7 Å²	60.7	27%	0.266	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-7.3	176.3	-21.5	33.7	0	0	0	113.2	M46 L52 A53 C233	M46-P50 WeakPolarHBondContact O-CG 3.15Å; P50-L52 VanDerWaalsContact C-N 3.28Å; P50-A53 WeakPolarHBondContact O-CB 3.42Å; P50-A53 PolarHBondContact O-N 2.91Å; P50-C233 HydrophobicContact CB-CB 3.91Å; P50-C233 WeakPolarHBondContact CB-SG 3.44Å; P50-C233 WeakPolarHBondContact CD-SG 3.39Å; P50-C233 HydrophobicContact CG-CB 4.33Å; P50-C233 WeakPolarHBondContact CG-SG 3.28Å
51	V	36.4	Very low	38.8	Very low	1 Å²	1	62.5 Å²	62.5	1%	0.006	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.1	169.7	-166.3	0	0	0	0	111.2	D49 Q54 F55 W226 Y230	D49-V51 PolarHBondContact O-N 2.87Å; D49-V51 WeakPolarHBondContact OD1-CB 3.48Å; D49-V51 WeakPolarHBondContact OD1-CG2 3.4Å; D49-V51 PolarHBondContact OD1-N 2.91Å; V51-Q54 PolarHBondContact O-N 3.34Å; V51-F55 HydrophobicContact CG1-CD2 4.28Å; V51-F55 HydrophobicContact CG1-CE2 3.73Å; V51-F55 HydrophobicContact CG1-CZ 4.46Å; V51-F55 WeakPolarHBondContact O-CD2 3.1Å; V51-F55 PolarHBondContact O-N 3.41Å; V51-F55 VanDerWaalsContact O-N 3.11Å; V51-W226 HydrophobicContact CG1-CG 4.4Å; V51-Y230 HydrophobicContact CG2-CD2 4.42Å
52	L	37	Very low	38.6	Very low	53 Å²	53	63.6 Å²	63.6	28%	0.277	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-28	171	-75.7	159.4	0	0	0	113	V45 D49 P50 Q54 F55 P58	V45-L52 HydrophobicContact CG1-CB 3.61Å; V45-L52 HydrophobicContact CG1-CD1 3.25Å; V45-L52 HydrophobicContact CG1-CG 3.93Å; D49-L52 HydrophobicContact CB-CD1 4.04Å; D49-L52 HydrophobicContact CB-CG 4.49Å; D49-L52 WeakPolarHBondContact O-CB 3.29Å; D49-L52 PolarHBondContact O-N 2.93Å; P50-L52 VanDerWaalsContact C-N 3.28Å; L52-Q54 PolarHBondContact O-N 3.31Å; L52-F55 HydrophobicContact CD2-CD2 4.03Å; L52-F55 HydrophobicContact CG-CD2 4.45Å; L52-F55 PolarHBondContact O-N 3.27Å; L52-P58 HydrophobicContact CB-CG 4.39Å; L52-P58 WeakPolarHBondContact O-CD 3.36Å; L52-P58 WeakPolarHBondContact O-CG 3.25Å
53	A	35.1	Very low	38.2	Very low	48 Å²	48	64.5 Å²	64.5	40%	0.397	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.8	170.3	0	0	0	0	0	113.2	M46 P50	M46-A53 HydrophobicContact CG-CB 3.88Å; M46-A53 HydrophobicContact SD-CB 3.99Å; P50-A53 WeakPolarHBondContact O-CB 3.42Å; P50-A53 PolarHBondContact O-N 2.91Å
54	Q	36.3	Very low	38.2	Very low	72 Å²	72	64.5 Å²	64.5	34%	0.336	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-11.5	-177.4	-56.7	-177.3	18.8	0	0	113.2	V51 L52 R229	V51-Q54 PolarHBondContact O-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.31Å; Q54-R229 PolarHBondContact O-NH1 2.93Å
55	F	32.1	Very low	38.5	Very low	83 Å²	83	62.6 Å²	62.6	36%	0.364	35%	0.352	S	S	.	.	S	Bend	trans	-70.7	132.1	159.3	-76.3	-69.5	0	0	0	106.9	V51 L52 V57 P58 W226	V51-F55 HydrophobicContact CG1-CD2 4.28Å; V51-F55 HydrophobicContact CG1-CE2 3.73Å; V51-F55 HydrophobicContact CG1-CZ 4.46Å; V51-F55 WeakPolarHBondContact O-CD2 3.1Å; V51-F55 PolarHBondContact O-N 3.41Å; V51-F55 VanDerWaalsContact O-N 3.11Å; L52-F55 HydrophobicContact CD2-CD2 4.03Å; L52-F55 HydrophobicContact CG-CD2 4.45Å; L52-F55 PolarHBondContact O-N 3.27Å; F55-V57 HydrophobicContact CB-CB 4.08Å; F55-V57 HydrophobicContact CB-CG2 4.1Å; F55-V57 PolarHBondContact O-N 2.9Å; F55-P58 WeakPolarHBondContact O-CD 3.4Å; F55-W226 AromaticContact CE2-NE1 3.93Å; F55-W226 AromaticContact CZ-CD1 3.72Å; F55-W226 AromaticContact CZ-NE1 3.94Å
56	S	36.3	Very low	38.9	Very low	70 Å²	70	63.4 Å²	63.4	49%	0.49	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-8.6	164.6	53.9	0	0	0	0	110.5	V59 I60	S56-V59 CarbonylContact O-C 3.52Å; S56-V59 PolarHBondContact O-N 3.29Å; S56-I60 VanDerWaalsContact O-CA 3.27Å; S56-I60 WeakPolarHBondContact O-CA 3.24Å; S56-I60 WeakPolarHBondContact O-CB 3.5Å; S56-I60 WeakPolarHBondContact O-CD1 3.22Å; S56-I60 WeakPolarHBondContact O-CG1 3.37Å; S56-I60 PolarHBondContact O-N 2.91Å; S56-I60 WeakPolarHBondContact OG-CD1 3.42Å
57	V	37	Very low	39.2	Very low	72 Å²	72	64.4 Å²	64.4	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-59.2	-48.7	-178.7	-179.1	0	0	0	0	114.2	F55 L61	F55-V57 HydrophobicContact CB-CB 4.08Å; F55-V57 HydrophobicContact CB-CG2 4.1Å; F55-V57 PolarHBondContact O-N 2.9Å; V57-L61 HydrophobicContact CG1-CD1 4.14Å; V57-L61 WeakPolarHBondContact O-CA 3.32Å; V57-L61 VanDerWaalsContact O-CB 3.24Å; V57-L61 WeakPolarHBondContact O-CB 3.45Å; V57-L61 PolarHBondContact O-N 2.74Å
58	P	40.5	Very low	39.6	Very low	14 Å²	14	59.8 Å²	59.8	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-70.4	-31.3	173.5	-25.9	40	0	0	0	113.5	L52 F55 L62	L52-P58 HydrophobicContact CB-CG 4.39Å; L52-P58 WeakPolarHBondContact O-CD 3.36Å; L52-P58 WeakPolarHBondContact O-CG 3.25Å; F55-P58 WeakPolarHBondContact O-CD 3.4Å; P58-L62 VanDerWaalsContact O-CB 3.25Å; P58-L62 WeakPolarHBondContact O-CB 3.38Å; P58-L62 PolarHBondContact O-N 2.89Å
59	V	37.7	Very low	40.2	Very low	97 Å²	97	52.7 Å²	52.7	59%	0.588	31%	0.31	S	S	*	.	H	α-helix	trans	-78.9	-22.3	176.4	178.2	0	0	0	0	112.7	S56 G63	S56-V59 CarbonylContact O-C 3.52Å; S56-V59 PolarHBondContact O-N 3.29Å; V59-G63 WeakPolarHBondContact O-CA 3.49Å; V59-G63 PolarHBondContact O-N 3.24Å
60	I	37.9	Very low	40.4	Very low	99 Å²	99	51.7 Å²	51.7	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-90	-33.5	173.8	-72.6	168.8	0	0	0	108.3	S56 A64	S56-I60 VanDerWaalsContact O-CA 3.27Å; S56-I60 WeakPolarHBondContact O-CA 3.24Å; S56-I60 WeakPolarHBondContact O-CB 3.5Å; S56-I60 WeakPolarHBondContact O-CD1 3.22Å; S56-I60 WeakPolarHBondContact O-CG1 3.37Å; S56-I60 PolarHBondContact O-N 2.91Å; S56-I60 WeakPolarHBondContact OG-CD1 3.42Å; I60-A64 WeakPolarHBondContact O-CA 3.44Å; I60-A64 WeakPolarHBondContact O-CB 3.43Å; I60-A64 PolarHBondContact O-N 3.13Å
61	L	44.8	Very low	40.7	Very low	64 Å²	64	56.9 Å²	56.9	34%	0.335	33%	0.326	S	S	.	.	H	α-helix	trans	-67.4	-47.8	168.1	-118.9	91	0	0	0	109	V57 A64 I65 L105	V57-L61 HydrophobicContact CG1-CD1 4.14Å; V57-L61 WeakPolarHBondContact O-CA 3.32Å; V57-L61 VanDerWaalsContact O-CB 3.24Å; V57-L61 WeakPolarHBondContact O-CB 3.45Å; V57-L61 PolarHBondContact O-N 2.74Å; L61-A64 PolarHBondContact O-N 2.84Å; L61-I65 HydrophobicContact CD2-CD1 4.45Å; L61-I65 WeakPolarHBondContact O-CB 3.5Å; L61-I65 VanDerWaalsContact O-CD1 3.3Å; L61-I65 WeakPolarHBondContact O-CD1 3.5Å; L61-I65 WeakPolarHBondContact O-CG1 3.43Å; L61-I65 PolarHBondContact O-N 2.86Å; L61-L105 HydrophobicContact CD2-CD2 3.55Å; L61-L105 HydrophobicContact CD2-CG 4.44Å
62	L	46.3	Very low	41	Very low	51 Å²	51	59.4 Å²	59.4	27%	0.267	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-45.4	171.5	-123.6	71.9	0	0	0	110.8	Y38 P58 A64 I65 V66	Y38-L62 HydrophobicContact CD2-CD1 3.09Å; Y38-L62 HydrophobicContact CD2-CD2 3.62Å; Y38-L62 HydrophobicContact CD2-CG 3.96Å; Y38-L62 HydrophobicContact CE2-CD1 3.78Å; Y38-L62 HydrophobicContact CE2-CD2 3.7Å; Y38-L62 HydrophobicContact CE2-CG 4.34Å; Y38-L62 HydrophobicContact CG-CD1 3.77Å; Y38-L62 HydrophobicContact CG-CD2 3.99Å; Y38-L62 HydrophobicContact CG-CG 4.49Å; P58-L62 VanDerWaalsContact O-CB 3.25Å; P58-L62 WeakPolarHBondContact O-CB 3.38Å; P58-L62 PolarHBondContact O-N 2.89Å; L62-A64 VanDerWaalsContact C-N 3.26Å; L62-A64 PolarHBondContact O-N 2.93Å; L62-I65 PolarHBondContact O-N 3.41Å; L62-V66 HydrophobicContact CG-CG2 4.42Å; L62-V66 WeakPolarHBondContact O-CA 3.31Å; L62-V66 WeakPolarHBondContact O-CB 3.36Å; L62-V66 WeakPolarHBondContact O-CG2 3.42Å; L62-V66 PolarHBondContact O-N 3.42Å
63	G	39.5	Very low	41.2	Very low	27 Å²	27	58.8 Å²	58.8	28%	0.278	34%	0.335	S	S	.	.	H	α-helix	trans	-63.9	-33.1	179.3	0	0	0	0	0	111.6	V59 D67	V59-G63 WeakPolarHBondContact O-CA 3.49Å; V59-G63 PolarHBondContact O-N 3.24Å; G63-D67 VanDerWaalsContact O-CA 3.28Å; G63-D67 WeakPolarHBondContact O-CA 3.34Å; G63-D67 WeakPolarHBondContact O-CB 3.37Å; G63-D67 PolarHBondContact O-N 3.22Å
64	A	43.5	Very low	41.4	Very low	47 Å²	47	61.7 Å²	61.7	39%	0.388	34%	0.342	S	S	.	.	H	α-helix	trans	-83.5	-32.1	176.2	0	0	0	0	0	112.3	I60 L61 L62 S68	I60-A64 WeakPolarHBondContact O-CA 3.44Å; I60-A64 WeakPolarHBondContact O-CB 3.43Å; I60-A64 PolarHBondContact O-N 3.13Å; L61-A64 PolarHBondContact O-N 2.84Å; L62-A64 VanDerWaalsContact C-N 3.26Å; L62-A64 PolarHBondContact O-N 2.93Å; A64-S68 WeakPolarHBondContact O-CA 3.34Å; A64-S68 WeakPolarHBondContact O-CB 3.35Å; A64-S68 PolarHBondContact O-N 3.5Å
65	I	47.2	Very low	41.3	Very low	19 Å²	19	67.5 Å²	67.5	10%	0.097	37%	0.369	C	S	.	.	H	α-helix	trans	-70.8	-47.7	171.9	-71	161.7	0	0	0	108.9	L61 L62 S68 I69 V101 L105	L61-I65 HydrophobicContact CD2-CD1 4.45Å; L61-I65 WeakPolarHBondContact O-CB 3.5Å; L61-I65 VanDerWaalsContact O-CD1 3.3Å; L61-I65 WeakPolarHBondContact O-CD1 3.5Å; L61-I65 WeakPolarHBondContact O-CG1 3.43Å; L61-I65 PolarHBondContact O-N 2.86Å; L62-I65 PolarHBondContact O-N 3.41Å; I65-S68 PolarHBondContact O-N 3.43Å; I65-I69 HydrophobicContact CG2-CD1 3.65Å; I65-I69 WeakPolarHBondContact O-CB 3.15Å; I65-I69 WeakPolarHBondContact O-CD1 3.35Å; I65-I69 WeakPolarHBondContact O-CG1 3.48Å; I65-I69 PolarHBondContact O-N 3.48Å; I65-V101 HydrophobicContact CD1-CG1 4.16Å; I65-V101 HydrophobicContact CG1-CG1 3.67Å; I65-L105 HydrophobicContact CD1-CD1 4.14Å
66	V	45.4	Very low	41.3	Very low	70 Å²	70	66 Å²	66	42%	0.424	36%	0.363	S	S	.	.	H	α-helix	trans	-69.6	-35.8	175.8	176.7	0	0	0	0	110.9	L62 I69 S70	L62-V66 HydrophobicContact CG-CG2 4.42Å; L62-V66 WeakPolarHBondContact O-CA 3.31Å; L62-V66 WeakPolarHBondContact O-CB 3.36Å; L62-V66 WeakPolarHBondContact O-CG2 3.42Å; L62-V66 PolarHBondContact O-N 3.42Å; V66-I69 CarbonylContact O-C 3.58Å; V66-S70 VanDerWaalsContact O-CA 3.28Å; V66-S70 WeakPolarHBondContact O-CA 3.35Å; V66-S70 WeakPolarHBondContact O-CB 3.5Å; V66-S70 PolarHBondContact O-N 3.43Å; V66-S70 PolarHBondContact O-OG 3.11Å
67	D	43	Very low	41.3	Very low	66 Å²	66	66.6 Å²	66.6	35%	0.353	36%	0.361	S	S	.	.	H	α-helix	trans	-72.9	-37.2	171.1	-88.5	-6.9	0	0	0	111.4	G63 I69 S70 K71	G63-D67 VanDerWaalsContact O-CA 3.28Å; G63-D67 WeakPolarHBondContact O-CA 3.34Å; G63-D67 WeakPolarHBondContact O-CB 3.37Å; G63-D67 PolarHBondContact O-N 3.22Å; D67-I69 VanDerWaalsContact C-N 3.28Å; D67-S70 WeakPolarHBondContact CA-OG 3.31Å; D67-S70 PolarHBondContact O-N 3.02Å; D67-K71 HydrophobicContact CB-CD 4.08Å; D67-K71 HydrophobicContact CB-CG 4.41Å; D67-K71 WeakPolarHBondContact O-CA 3.21Å; D67-K71 WeakPolarHBondContact O-CB 3.39Å; D67-K71 WeakPolarHBondContact O-CG 3.24Å; D67-K71 PolarHBondContact O-N 3.07Å; D67-K71 IonicContact OD1-NZ 2.7Å; D67-K71 WeakPolarHBondContact OD2-CE 3.1Å; D67-K71 IonicContact OD2-NZ 2.99Å; D67-K71 PolarHBondContact OD2-NZ 2.99Å
68	S	44.1	Very low	41	Very low	14 Å²	14	71 Å²	71	10%	0.098	38%	0.38	C	S	.	.	H	α-helix	trans	-69.9	-31.3	176.2	-173.8	0	0	0	0	110.8	A64 I65 N72	A64-S68 WeakPolarHBondContact O-CA 3.34Å; A64-S68 WeakPolarHBondContact O-CB 3.35Å; A64-S68 PolarHBondContact O-N 3.5Å; I65-S68 PolarHBondContact O-N 3.43Å; S68-N72 VanDerWaalsContact O-CB 3.24Å; S68-N72 WeakPolarHBondContact O-CB 3.17Å; S68-N72 PolarHBondContact O-ND2 2.96Å
69	I	46.5	Very low	41	Very low	47 Å²	47	73.7 Å²	73.7	24%	0.241	41%	0.411	C	S	.	.	H	α-helix	trans	-79.2	-38.9	170.5	-65.3	165.5	0	0	0	110	I65 V66 D67 F73 I74 L98	I65-I69 HydrophobicContact CG2-CD1 3.65Å; I65-I69 WeakPolarHBondContact O-CB 3.15Å; I65-I69 WeakPolarHBondContact O-CD1 3.35Å; I65-I69 WeakPolarHBondContact O-CG1 3.48Å; I65-I69 PolarHBondContact O-N 3.48Å; V66-I69 CarbonylContact O-C 3.58Å; D67-I69 VanDerWaalsContact C-N 3.28Å; I69-F73 CarbonylContact O-C 3.57Å; I69-F73 WeakPolarHBondContact O-CA 3.05Å; I69-F73 WeakPolarHBondContact O-CB 3.21Å; I69-F73 PolarHBondContact O-N 3.19Å; I69-I74 HydrophobicContact CG2-CD1 4.28Å; I69-I74 PolarHBondContact O-N 2.89Å; I69-L98 HydrophobicContact CG1-CD1 4.25Å
70	S	42.7	Very low	41.1	Very low	31 Å²	31	77 Å²	77	22%	0.217	42%	0.418	C	S	.	.	H	α-helix	trans	-81.1	-47.6	-172.9	75.4	0	0	0	0	113.5	V66 D67 N72 I74	V66-S70 VanDerWaalsContact O-CA 3.28Å; V66-S70 WeakPolarHBondContact O-CA 3.35Å; V66-S70 WeakPolarHBondContact O-CB 3.5Å; V66-S70 PolarHBondContact O-N 3.43Å; V66-S70 PolarHBondContact O-OG 3.11Å; D67-S70 WeakPolarHBondContact CA-OG 3.31Å; D67-S70 PolarHBondContact O-N 3.02Å; S70-N72 VanDerWaalsContact C-N 3.25Å; S70-N72 PolarHBondContact O-N 3.22Å; S70-I74 VanDerWaalsContact CA-CD1 3.45Å; S70-I74 WeakPolarHBondContact O-CA 3.36Å; S70-I74 WeakPolarHBondContact O-CB 3.31Å; S70-I74 PolarHBondContact O-N 3.27Å
71	K	44.7	Very low	41	Very low	149 Å²	149	74.2 Å²	74.2	65%	0.648	41%	0.405	S	S	*	.	H	α-helix	trans	-72.4	-19.6	178	-62.8	176.3	173.8	159.1	0	112.5	D67	D67-K71 HydrophobicContact CB-CD 4.08Å; D67-K71 HydrophobicContact CB-CG 4.41Å; D67-K71 WeakPolarHBondContact O-CA 3.21Å; D67-K71 WeakPolarHBondContact O-CB 3.39Å; D67-K71 WeakPolarHBondContact O-CG 3.24Å; D67-K71 PolarHBondContact O-N 3.07Å; D67-K71 IonicContact OD1-NZ 2.7Å; D67-K71 WeakPolarHBondContact OD2-CE 3.1Å; D67-K71 IonicContact OD2-NZ 2.99Å; D67-K71 PolarHBondContact OD2-NZ 2.99Å
72	N	42.9	Very low	40.6	Very low	54 Å²	54	75.9 Å²	75.9	29%	0.289	43%	0.429	S	S	.	.	H	α-helix	trans	-111.1	-17.7	178.2	-52.5	-58.2	0	0	0	114.9	S68 S70 A94	S68-N72 VanDerWaalsContact O-CB 3.24Å; S68-N72 WeakPolarHBondContact O-CB 3.17Å; S68-N72 PolarHBondContact O-ND2 2.96Å; S70-N72 VanDerWaalsContact C-N 3.25Å; S70-N72 PolarHBondContact O-N 3.22Å; N72-A94 HydrophobicContact CB-CB 3.71Å; N72-A94 VanDerWaalsContact CG-CB 3.45Å
73	F	42.2	Very low	40.4	Very low	41 Å²	41	75 Å²	75	18%	0.18	43%	0.426	C	S	.	.	H	α-helix	trans	-134.6	-1.4	-177	-58.5	-94.7	0	0	0	115.2	I69 F76 L87 W95	I69-F73 CarbonylContact O-C 3.57Å; I69-F73 WeakPolarHBondContact O-CA 3.05Å; I69-F73 WeakPolarHBondContact O-CB 3.21Å; I69-F73 PolarHBondContact O-N 3.19Å; F73-F76 WeakPolarHBondContact O-CB 3.13Å; F73-L87 HydrophobicContact CD1-CD2 4Å; F73-L87 HydrophobicContact CE1-CD2 4.31Å; F73-W95 AromaticContact CE1-CE2 3.96Å; F73-W95 HydrophobicContact CE1-CE3 4.46Å; F73-W95 AromaticContact CE1-CH2 3.46Å; F73-W95 HydrophobicContact CE1-CH2 3.46Å; F73-W95 VanDerWaalsContact CE1-CH2 3.46Å; F73-W95 AromaticContact CE1-CZ2 3.45Å; F73-W95 HydrophobicContact CE1-CZ2 3.45Å; F73-W95 VanDerWaalsContact CE1-CZ2 3.45Å; F73-W95 AromaticContact CE1-CZ3 3.97Å; F73-W95 HydrophobicContact CE1-CZ3 3.97Å; F73-W95 AromaticContact CZ-CD2 3.9Å; F73-W95 HydrophobicContact CZ-CD2 3.9Å; F73-W95 AromaticContact CZ-CE2 3.79Å; F73-W95 AromaticContact CZ-CE3 3.75Å; F73-W95 HydrophobicContact CZ-CE3 3.75Å; F73-W95 AromaticContact CZ-CH2 3.59Å; F73-W95 HydrophobicContact CZ-CH2 3.59Å; F73-W95 AromaticContact CZ-CZ2 3.68Å; F73-W95 HydrophobicContact CZ-CZ2 3.68Å; F73-W95 AromaticContact CZ-CZ3 3.6Å; F73-W95 HydrophobicContact CZ-CZ3 3.6Å
74	I	37.9	Very low	40.2	Very low	109 Å²	109	78.1 Å²	78.1	56%	0.559	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-8.6	-176.4	-59.1	175.9	0	0	0	113.9	I69 S70 F76	I69-I74 HydrophobicContact CG2-CD1 4.28Å; I69-I74 PolarHBondContact O-N 2.89Å; S70-I74 VanDerWaalsContact CA-CD1 3.45Å; S70-I74 WeakPolarHBondContact O-CA 3.36Å; S70-I74 WeakPolarHBondContact O-CB 3.31Å; S70-I74 PolarHBondContact O-N 3.27Å; I74-F76 PolarHBondContact O-N 3.44Å
75	Q	35.7	Very low	40.2	Very low	194 Å²	194	83 Å²	83	91%	0.907	46%	0.457	S	S	*	.	S	Bend	trans	-74.2	-2.7	156.7	-106.2	-174.6	-1.6	0	0	112.7	D77	Q75-D77 PolarHBondContact O-N 3.16Å; Q75-D77 VanDerWaalsContact O-N 3.11Å
76	F	32.5	Very low	40	Very low	51 Å²	51	85.7 Å²	85.7	22%	0.224	47%	0.471	C	S	.	.	S	Bend	trans	-70.6	103.5	165.3	-89.2	-107.7	0	0	0	108.5	F73 I74 L78 V81 L87	F73-F76 WeakPolarHBondContact O-CB 3.13Å; I74-F76 PolarHBondContact O-N 3.44Å; F76-L78 PolarHBondContact O-N 3.38Å; F76-V81 HydrophobicContact CD1-CB 4.48Å; F76-V81 HydrophobicContact CD1-CG1 4.29Å; F76-V81 HydrophobicContact CD1-CG2 3.38Å; F76-V81 HydrophobicContact CE1-CG1 4.05Å; F76-V81 HydrophobicContact CE1-CG2 3.94Å; F76-V81 HydrophobicContact CG-CG2 4.45Å; F76-L87 HydrophobicContact CD1-CD2 4.43Å; F76-L87 HydrophobicContact CE1-CD2 4.3Å; F76-L87 HydrophobicContact CE1-CG 4.12Å
77	D	34.7	Very low	39.6	Very low	83 Å²	83	84.5 Å²	84.5	44%	0.444	46%	0.462	S	S	.	.			trans	-58.1	96.2	156.8	-167.1	-11.3	0	0	0	106.1	Q75 G79 K80	Q75-D77 PolarHBondContact O-N 3.16Å; Q75-D77 VanDerWaalsContact O-N 3.11Å; D77-G79 PolarHBondContact O-N 2.9Å; D77-G79 PolarHBondContact OD1-N 2.76Å; D77-K80 HydrophobicContact CB-CB 4.1Å; D77-K80 HydrophobicContact CB-CD 4.04Å; D77-K80 HydrophobicContact CB-CG 4.06Å; D77-K80 PolarHBondContact O-N 2.94Å; D77-K80 VanDerWaalsContact OD2-CD 3.23Å; D77-K80 WeakPolarHBondContact OD2-CD 3.49Å; D77-K80 WeakPolarHBondContact OD2-CE 3.48Å; D77-K80 WeakPolarHBondContact OD2-CG 3.41Å; D77-K80 IonicContact OD2-NZ 3.81Å; D77-K80 PolarHBondContact OD2-NZ 3.45Å
78	L	31.7	Very low	39.6	Very low	163 Å²	163	84.7 Å²	84.7	85%	0.853	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-16.9	-179.4	-83.3	157.1	0	0	0	111.8	F76	F76-L78 PolarHBondContact O-N 3.38Å
79	G	39.2	Very low	39.6	Very low	72 Å²	72	87.8 Å²	87.8	74%	0.742	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.9	172.2	0	0	0	0	0	116.1	D77	D77-G79 PolarHBondContact O-N 2.9Å; D77-G79 PolarHBondContact OD1-N 2.76Å
80	K	41.9	Very low	39.6	Very low	166 Å²	166	91.3 Å²	91.3	72%	0.722	51%	0.505	S	S	*	.	S	Bend	trans	-113.8	2.1	-177.8	-68.7	-175.8	179.9	133.4	0	114.7	D77 A82	D77-K80 HydrophobicContact CB-CB 4.1Å; D77-K80 HydrophobicContact CB-CD 4.04Å; D77-K80 HydrophobicContact CB-CG 4.06Å; D77-K80 PolarHBondContact O-N 2.94Å; D77-K80 VanDerWaalsContact OD2-CD 3.23Å; D77-K80 WeakPolarHBondContact OD2-CD 3.49Å; D77-K80 WeakPolarHBondContact OD2-CE 3.48Å; D77-K80 WeakPolarHBondContact OD2-CG 3.41Å; D77-K80 IonicContact OD2-NZ 3.81Å; D77-K80 PolarHBondContact OD2-NZ 3.45Å; K80-A82 PolarHBondContact O-N 2.83Å
81	V	34.5	Very low	39.9	Very low	40 Å²	40	96.3 Å²	96.3	24%	0.242	52%	0.522	C	S	.	.			trans	-89.5	102.8	179.1	-160.8	0	0	0	0	108.4	F76 D86 L87	F76-V81 HydrophobicContact CD1-CB 4.48Å; F76-V81 HydrophobicContact CD1-CG1 4.29Å; F76-V81 HydrophobicContact CD1-CG2 3.38Å; F76-V81 HydrophobicContact CE1-CG1 4.05Å; F76-V81 HydrophobicContact CE1-CG2 3.94Å; F76-V81 HydrophobicContact CG-CG2 4.45Å; V81-D86 HydrophobicContact CG1-CB 4.08Å; V81-L87 HydrophobicContact CG1-CD1 4.21Å; V81-L87 HydrophobicContact CG1-CG 4.36Å
82	A	37.6	Very low	40	Very low	100 Å²	100	93.4 Å²	93.4	83%	0.826	52%	0.519	S	S	*	.			trans	-82.2	-15.8	-175.8	0	0	0	0	0	113.1	K80	K80-A82 PolarHBondContact O-N 2.83Å
83	S	41.2	Very low	39.9	Very low	31 Å²	31	98 Å²	98	22%	0.217	54%	0.538	C	S	.	.			trans	-148.7	148.8	178.7	78.1	0	0	0	0	114.1	E85 D86	S83-E85 PolarHBondContact O-N 3.07Å; S83-D86 PolarHBondContact N-OD2 3.35Å; S83-D86 WeakPolarHBondContact O-CB 3.45Å; S83-D86 PolarHBondContact O-N 3.01Å; S83-D86 VanDerWaalsContact OG-CG 3.27Å; S83-D86 PolarHBondContact OG-N 2.94Å; S83-D86 PolarHBondContact OG-OD2 3.47Å
84	P	35.5	Very low	40	Very low	94 Å²	94	96.3 Å²	96.3	61%	0.61	53%	0.532	S	S	*	.	H	α-helix	trans	-58.6	-21.6	170.5	-21.3	31.6	0	0	0	113.9	D86 L87	P84-D86 VanDerWaalsContact C-N 3.34Å; P84-L87 WeakPolarHBondContact O-CB 3.34Å; P84-L87 PolarHBondContact O-N 2.9Å
85	E	43	Very low	40.5	Very low	150 Å²	150	91.5 Å²	91.5	70%	0.701	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-31.8	179.5	-63.7	170.7	175.5	0	0	111.2	S83 L87 L88 A89	S83-E85 PolarHBondContact O-N 3.07Å; E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 3.02Å; E85-L88 PolarHBondContact O-N 3.42Å; E85-L88 VanDerWaalsContact O-N 3.16Å; E85-A89 PolarHBondContact O-N 2.99Å
86	D	43.2	Very low	41	Very low	75 Å²	75	89 Å²	89	40%	0.401	49%	0.49	S	S	.	.	H	α-helix	trans	-65.6	-30.1	175.5	-65	-46.1	0	0	0	112.7	V81 S83 P84 L88	V81-D86 HydrophobicContact CG1-CB 4.08Å; S83-D86 PolarHBondContact N-OD2 3.35Å; S83-D86 WeakPolarHBondContact O-CB 3.45Å; S83-D86 PolarHBondContact O-N 3.01Å; S83-D86 VanDerWaalsContact OG-CG 3.27Å; S83-D86 PolarHBondContact OG-N 2.94Å; S83-D86 PolarHBondContact OG-OD2 3.47Å; P84-D86 VanDerWaalsContact C-N 3.34Å; D86-L88 VanDerWaalsContact C-N 3.35Å
87	L	36.7	Very low	41.7	Very low	45 Å²	45	89.3 Å²	89.3	24%	0.236	50%	0.498	C	S	.	.	H	α-helix	trans	-71.5	-27.4	175.4	-92.3	148.6	0	0	0	112.7	F73 F76 V81 P84 E85 W95	F73-L87 HydrophobicContact CD1-CD2 4Å; F73-L87 HydrophobicContact CE1-CD2 4.31Å; F76-L87 HydrophobicContact CD1-CD2 4.43Å; F76-L87 HydrophobicContact CE1-CD2 4.3Å; F76-L87 HydrophobicContact CE1-CG 4.12Å; V81-L87 HydrophobicContact CG1-CD1 4.21Å; V81-L87 HydrophobicContact CG1-CG 4.36Å; P84-L87 WeakPolarHBondContact O-CB 3.34Å; P84-L87 PolarHBondContact O-N 2.9Å; E85-L87 VanDerWaalsContact C-N 3.28Å; E85-L87 PolarHBondContact O-N 3.02Å; L87-W95 WeakPolarHBondContact O-CZ2 3.47Å; L87-W95 PolarHBondContact O-NE1 2.91Å
88	L	42.9	Very low	42.4	Very low	70 Å²	70	85.8 Å²	85.8	37%	0.366	48%	0.48	S	S	.	.	H	α-helix	trans	-89.3	-26.6	-178	-71	168.7	0	0	0	113.7	E2 E85 D86 H90 W95	E2-L88 HydrophobicContact CG-CD1 4.13Å; E2-L88 HydrophobicContact CG-CD2 3.36Å; E2-L88 HydrophobicContact CG-CG 4.28Å; E2-L88 WeakPolarHBondContact OE1-CD1 3.46Å; E2-L88 WeakPolarHBondContact OE1-CD2 3.38Å; E85-L88 PolarHBondContact O-N 3.42Å; E85-L88 VanDerWaalsContact O-N 3.16Å; D86-L88 VanDerWaalsContact C-N 3.35Å; L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 3.11Å; L88-W95 HydrophobicContact CD2-CZ2 4.24Å
89	A	45	Very low	43.5	Very low	79 Å²	79	79.4 Å²	79.4	65%	0.653	45%	0.446	S	S	*	.	H	α-helix	trans	-70.7	-23.2	-179.7	0	0	0	0	0	113.4	E85 K91	E85-A89 PolarHBondContact O-N 2.99Å; A89-K91 PolarHBondContact O-N 3.5Å
90	H	46.1	Very low	44.2	Very low	121 Å²	121	81.5 Å²	81.5	56%	0.56	44%	0.435	S	S	*	.	S	Bend	trans	-87.2	113	-174.9	-93.7	-76.3	0	0	0	113.7	L88	L88-H90 VanDerWaalsContact C-N 3.3Å; L88-H90 PolarHBondContact O-N 3.11Å
91	K	49.7	Very low	44.7	Very low	136 Å²	136	75.6 Å²	75.6	59%	0.591	41%	0.413	S	S	*	.			trans	48.7	89.1	170.2	-66.6	-173	-178.9	176	0	115	A89 Q93 A94	A89-K91 PolarHBondContact O-N 3.5Å; K91-Q93 PolarHBondContact O-N 2.65Å; K91-A94 HydrophobicContact CB-CB 4.11Å; K91-A94 WeakPolarHBondContact O-CB 3.35Å; K91-A94 PolarHBondContact O-N 3.39Å
92	P	45.2	Very low	45.6	Very low	87 Å²	87	74.2 Å²	74.2	57%	0.565	40%	0.403	S	S	*	.	H	α-helix	trans	-48.7	-30.5	168	-26.3	32.9	0	0	0	113.9	W95 Y96	P92-W95 PolarHBondContact O-N 2.93Å; P92-Y96 VanDerWaalsContact O-CB 3.32Å; P92-Y96 WeakPolarHBondContact O-CB 3.15Å; P92-Y96 PolarHBondContact O-N 3.19Å
93	Q	41.3	Very low	46.5	Very low	151 Å²	151	74.2 Å²	74.2	71%	0.706	39%	0.386	S	S	*	.	H	α-helix	trans	-64.9	-33.8	176.4	-66.8	177.1	-8.9	0	0	113.6	K91 S97	K91-Q93 PolarHBondContact O-N 2.65Å; Q93-S97 WeakPolarHBondContact O-CB 3.4Å; Q93-S97 PolarHBondContact O-N 3.45Å; Q93-S97 PolarHBondContact O-OG 3.04Å
94	A	43.9	Very low	47	Very low	6 Å²	6	76.7 Å²	76.7	5%	0.05	40%	0.403	C	S	.	.	H	α-helix	trans	-70.2	-46.6	176.7	0	0	0	0	0	110.6	N72 K91 Y96 S97 L98	N72-A94 HydrophobicContact CB-CB 3.71Å; N72-A94 VanDerWaalsContact CG-CB 3.45Å; K91-A94 HydrophobicContact CB-CB 4.11Å; K91-A94 WeakPolarHBondContact O-CB 3.35Å; K91-A94 PolarHBondContact O-N 3.39Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.14Å; A94-S97 WeakPolarHBondContact O-CB 3.34Å; A94-S97 PolarHBondContact O-N 3.2Å; A94-L98 PolarHBondContact O-N 3.44Å
95	W	48.1	Very low	47.8	Very low	8 Å²	8	72.9 Å²	72.9	3%	0.03	38%	0.377	C	S	.	.	H	α-helix	trans	-60.7	-40.4	173.6	-69.7	112.6	0	0	0	112.7	M1 L5 I26 F73 L87 L88 P92 S97 L98 L99	M1-W95 HydrophobicContact SD-CB 3.34Å; M1-W95 WeakPolarHBondContact SD-CB 3.33Å; M1-W95 HydrophobicContact SD-CG 3.96Å; L5-W95 HydrophobicContact CD1-CD2 4.17Å; L5-W95 HydrophobicContact CD1-CE3 3.21Å; L5-W95 HydrophobicContact CD1-CZ3 3.53Å; I26-W95 HydrophobicContact CD1-CH2 4.12Å; I26-W95 HydrophobicContact CD1-CZ3 4.24Å; I26-W95 HydrophobicContact CG2-CH2 4.17Å; F73-W95 AromaticContact CE1-CE2 3.96Å; F73-W95 HydrophobicContact CE1-CE3 4.46Å; F73-W95 AromaticContact CE1-CH2 3.46Å; F73-W95 HydrophobicContact CE1-CH2 3.46Å; F73-W95 VanDerWaalsContact CE1-CH2 3.46Å; F73-W95 AromaticContact CE1-CZ2 3.45Å; F73-W95 HydrophobicContact CE1-CZ2 3.45Å; F73-W95 VanDerWaalsContact CE1-CZ2 3.45Å; F73-W95 AromaticContact CE1-CZ3 3.97Å; F73-W95 HydrophobicContact CE1-CZ3 3.97Å; F73-W95 AromaticContact CZ-CD2 3.9Å; F73-W95 HydrophobicContact CZ-CD2 3.9Å; F73-W95 AromaticContact CZ-CE2 3.79Å; F73-W95 AromaticContact CZ-CE3 3.75Å; F73-W95 HydrophobicContact CZ-CE3 3.75Å; F73-W95 AromaticContact CZ-CH2 3.59Å; F73-W95 HydrophobicContact CZ-CH2 3.59Å; F73-W95 AromaticContact CZ-CZ2 3.68Å; F73-W95 HydrophobicContact CZ-CZ2 3.68Å; F73-W95 AromaticContact CZ-CZ3 3.6Å; F73-W95 HydrophobicContact CZ-CZ3 3.6Å; L87-W95 WeakPolarHBondContact O-CZ2 3.47Å; L87-W95 PolarHBondContact O-NE1 2.91Å; L88-W95 HydrophobicContact CD2-CZ2 4.24Å; P92-W95 PolarHBondContact O-N 2.93Å; W95-S97 VanDerWaalsContact C-N 3.33Å; W95-S97 PolarHBondContact O-N 3.34Å; W95-L98 HydrophobicContact CE3-CD2 4.33Å; W95-L98 HydrophobicContact CZ3-CD2 4.36Å; W95-L98 PolarHBondContact O-N 3.45Å; W95-L99 WeakPolarHBondContact O-CB 3.29Å; W95-L99 PolarHBondContact O-N 2.84Å
96	Y	47.3	Very low	48.2	Very low	142 Å²	142	66.8 Å²	66.8	56%	0.557	35%	0.349	S	S	*	.	H	α-helix	trans	-65.5	-35.5	175.5	-161.6	-107.1	0	0	0	112.7	P92 A94 K100	P92-Y96 VanDerWaalsContact O-CB 3.32Å; P92-Y96 WeakPolarHBondContact O-CB 3.15Å; P92-Y96 PolarHBondContact O-N 3.19Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.14Å; Y96-K100 HydrophobicContact CD1-CD 4.38Å; Y96-K100 HydrophobicContact CE1-CD 4.27Å; Y96-K100 VanDerWaalsContact CE1-CE 3.41Å; Y96-K100 PolarHBondContact O-N 2.79Å
97	S	47.2	Very low	48.6	Very low	56 Å²	56	68.1 Å²	68.1	39%	0.392	36%	0.356	S	S	.	.	H	α-helix	trans	-68	-44.5	175.4	-60.4	0	0	0	0	111.4	Q93 A94 W95 L99 K100 V101	Q93-S97 WeakPolarHBondContact O-CB 3.4Å; Q93-S97 PolarHBondContact O-N 3.45Å; Q93-S97 PolarHBondContact O-OG 3.04Å; A94-S97 WeakPolarHBondContact O-CB 3.34Å; A94-S97 PolarHBondContact O-N 3.2Å; W95-S97 VanDerWaalsContact C-N 3.33Å; W95-S97 PolarHBondContact O-N 3.34Å; S97-L99 PolarHBondContact O-N 2.83Å; S97-K100 PolarHBondContact O-N 3.3Å; S97-V101 WeakPolarHBondContact O-CG2 3.27Å; S97-V101 PolarHBondContact O-N 3.03Å
98	L	50	Low	48.9	Very low	10 Å²	10	71.2 Å²	71.2	5%	0.052	38%	0.38	C	S	.	.	H	α-helix	trans	-62	-42.8	175	-165.9	72.2	0	0	0	111.6	L5 I69 A94 W95 K100 V101 F102	L5-L98 HydrophobicContact CD2-CB 4.5Å; L5-L98 HydrophobicContact CD2-CD2 3.94Å; L5-L98 HydrophobicContact CD2-CG 4.24Å; I69-L98 HydrophobicContact CG1-CD1 4.25Å; A94-L98 PolarHBondContact O-N 3.44Å; W95-L98 HydrophobicContact CE3-CD2 4.33Å; W95-L98 HydrophobicContact CZ3-CD2 4.36Å; W95-L98 PolarHBondContact O-N 3.45Å; L98-K100 PolarHBondContact O-N 2.95Å; L98-V101 PolarHBondContact O-N 3.27Å; L98-F102 HydrophobicContact CD1-CE2 4.16Å; L98-F102 HydrophobicContact CD2-CE2 3.96Å; L98-F102 HydrophobicContact CG-CD2 4.03Å; L98-F102 HydrophobicContact CG-CE2 3.69Å; L98-F102 WeakPolarHBondContact O-CD2 3.4Å; L98-F102 PolarHBondContact O-N 3.04Å
99	L	54	Low	49	Very low	28 Å²	28	70 Å²	70	15%	0.147	37%	0.374	C	S	.	.	H	α-helix	trans	-56.7	-46.7	172.2	-93.4	157.1	0	0	0	112.1	M1 A4 L5 L8 W95 S97 V101 F102 Q103	M1-L99 HydrophobicContact CG-CD1 3.98Å; M1-L99 HydrophobicContact SD-CD1 4.47Å; A4-L99 HydrophobicContact CB-CD2 4.48Å; L5-L99 HydrophobicContact CD2-CD2 4.32Å; L5-L99 HydrophobicContact CD2-CG 3.87Å; L5-L99 HydrophobicContact CG-CD1 4.38Å; L5-L99 HydrophobicContact CG-CD2 4.21Å; L5-L99 HydrophobicContact CG-CG 3.92Å; L8-L99 HydrophobicContact CD1-CD2 4.49Å; W95-L99 WeakPolarHBondContact O-CB 3.29Å; W95-L99 PolarHBondContact O-N 2.84Å; S97-L99 PolarHBondContact O-N 2.83Å; L99-V101 PolarHBondContact O-N 3.1Å; L99-F102 PolarHBondContact O-N 2.91Å; L99-Q103 VanDerWaalsContact O-CB 3.27Å; L99-Q103 WeakPolarHBondContact O-CB 3.38Å; L99-Q103 PolarHBondContact O-N 3.05Å
100	K	53.8	Low	48.8	Very low	117 Å²	117	68.4 Å²	68.4	51%	0.509	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-39.9	176.8	-83.4	-175.9	174.5	173.3	0	112.7	Y96 S97 L98 Q103 C104	Y96-K100 HydrophobicContact CD1-CD 4.38Å; Y96-K100 HydrophobicContact CE1-CD 4.27Å; Y96-K100 VanDerWaalsContact CE1-CE 3.41Å; Y96-K100 PolarHBondContact O-N 2.79Å; S97-K100 PolarHBondContact O-N 3.3Å; L98-K100 PolarHBondContact O-N 2.95Å; K100-Q103 PolarHBondContact O-N 2.86Å; K100-C104 WeakPolarHBondContact O-CB 3.34Å; K100-C104 PolarHBondContact O-N 2.82Å
101	V	52.5	Low	48.4	Very low	42 Å²	42	69.9 Å²	69.9	26%	0.255	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-48.2	177.5	173	0	0	0	0	110.4	I65 S97 L98 L99 Q103 C104 L105	I65-V101 HydrophobicContact CD1-CG1 4.16Å; I65-V101 HydrophobicContact CG1-CG1 3.67Å; S97-V101 WeakPolarHBondContact O-CG2 3.27Å; S97-V101 PolarHBondContact O-N 3.03Å; L98-V101 PolarHBondContact O-N 3.27Å; L99-V101 PolarHBondContact O-N 3.1Å; V101-Q103 VanDerWaalsContact C-N 3.33Å; V101-Q103 PolarHBondContact O-N 3.29Å; V101-C104 PolarHBondContact O-N 3.3Å; V101-L105 HydrophobicContact CG1-CD1 4.28Å; V101-L105 WeakPolarHBondContact O-CG 3.29Å; V101-L105 PolarHBondContact O-N 2.91Å
102	F	54.4	Low	47.6	Very low	10 Å²	10	67.5 Å²	67.5	4%	0.044	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-36.9	176.1	-72	-50.9	0	0	0	112.3	L5 L8 L12 F33 L37 L98 L99 L105 N106	L5-F102 HydrophobicContact CD2-CD2 3.91Å; L5-F102 HydrophobicContact CD2-CE2 4.06Å; L8-F102 HydrophobicContact CD2-CB 3.35Å; L8-F102 VanDerWaalsContact CD2-O 3.29Å; L8-F102 WeakPolarHBondContact CD2-O 3.38Å; L12-F102 HydrophobicContact CD1-CB 4.11Å; L12-F102 HydrophobicContact CD1-CD1 3.72Å; L12-F102 HydrophobicContact CD1-CG 4.38Å; L12-F102 WeakPolarHBondContact CD1-O 3.32Å; F33-F102 HydrophobicContact CE1-CE1 4.2Å; F33-F102 HydrophobicContact CE1-CZ 4.25Å; L37-F102 HydrophobicContact CD2-CE1 4.18Å; L98-F102 HydrophobicContact CD1-CE2 4.16Å; L98-F102 HydrophobicContact CD2-CE2 3.96Å; L98-F102 HydrophobicContact CG-CD2 4.03Å; L98-F102 HydrophobicContact CG-CE2 3.69Å; L98-F102 WeakPolarHBondContact O-CD2 3.4Å; L98-F102 PolarHBondContact O-N 3.04Å; L99-F102 PolarHBondContact O-N 2.91Å; F102-L105 HydrophobicContact CD1-CD1 4.47Å; F102-L105 PolarHBondContact O-N 2.81Å; F102-N106 VanDerWaalsContact O-CB 3.29Å; F102-N106 WeakPolarHBondContact O-CB 3.37Å; F102-N106 PolarHBondContact O-N 3.28Å
103	Q	55.2	Low	47.1	Very low	101 Å²	101	72.8 Å²	72.8	47%	0.472	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-43.9	176.6	-169.4	164.2	4.9	0	0	111.8	L99 K100 V101 L105 N106 D107	L99-Q103 VanDerWaalsContact O-CB 3.27Å; L99-Q103 WeakPolarHBondContact O-CB 3.38Å; L99-Q103 PolarHBondContact O-N 3.05Å; K100-Q103 PolarHBondContact O-N 2.86Å; V101-Q103 VanDerWaalsContact C-N 3.33Å; V101-Q103 PolarHBondContact O-N 3.29Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-L105 PolarHBondContact O-N 3.49Å; Q103-N106 PolarHBondContact O-N 3.46Å; Q103-D107 WeakPolarHBondContact O-CB 3.31Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 3.4Å
104	C	51.2	Low	46.6	Very low	83 Å²	83	76.7 Å²	76.7	56%	0.561	40%	0.397	S	S	*	.	H	α-helix	trans	-58.2	-44.8	172.1	-85.4	0	0	0	0	112.1	K100 V101 D107 C108	K100-C104 WeakPolarHBondContact O-CB 3.34Å; K100-C104 PolarHBondContact O-N 2.82Å; V101-C104 PolarHBondContact O-N 3.3Å; C104-D107 PolarHBondContact O-N 3.19Å; C104-C108 WeakPolarHBondContact O-CB 3.29Å; C104-C108 PolarHBondContact O-N 3.38Å; C104-C108 PolarHBondContact O-SG 2.85Å
105	L	53	Low	46	Very low	13 Å²	13	81.6 Å²	81.6	7%	0.068	43%	0.431	C	S	.	.	H	α-helix	trans	-64.4	-42	177.4	-76.3	176.7	0	0	0	112	L12 L37 I41 L61 I65 V101 F102 Q103 C108 L109	L12-L105 HydrophobicContact CD1-CB 3.54Å; L12-L105 HydrophobicContact CD1-CD1 4.21Å; L12-L105 HydrophobicContact CG-CB 4.35Å; L37-L105 HydrophobicContact CD2-CD1 4.13Å; I41-L105 HydrophobicContact CD1-CD1 4.26Å; I41-L105 HydrophobicContact CD1-CD2 4.02Å; L61-L105 HydrophobicContact CD2-CD2 3.55Å; L61-L105 HydrophobicContact CD2-CG 4.44Å; I65-L105 HydrophobicContact CD1-CD1 4.14Å; V101-L105 HydrophobicContact CG1-CD1 4.28Å; V101-L105 WeakPolarHBondContact O-CG 3.29Å; V101-L105 PolarHBondContact O-N 2.91Å; F102-L105 HydrophobicContact CD1-CD1 4.47Å; F102-L105 PolarHBondContact O-N 2.81Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-L105 PolarHBondContact O-N 3.49Å; L105-C108 PolarHBondContact O-N 3.43Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.4Å; L105-L109 PolarHBondContact O-N 3.25Å
106	N	51.3	Low	44.9	Very low	23 Å²	23	86 Å²	86	12%	0.123	47%	0.47	C	S	.	.	H	α-helix	trans	-64.4	-41.4	176.7	-164.9	55.7	0	0	0	111.2	L8 L12 H15 F102 Q103 C108 L109 A110	L8-N106 HydrophobicContact CD2-CB 4.1Å; L12-N106 HydrophobicContact CD1-CB 4.48Å; H15-N106 PolarHBondContact CD2-OD1 3.18Å; F102-N106 VanDerWaalsContact O-CB 3.29Å; F102-N106 WeakPolarHBondContact O-CB 3.37Å; F102-N106 PolarHBondContact O-N 3.28Å; Q103-N106 PolarHBondContact O-N 3.46Å; N106-C108 VanDerWaalsContact C-N 3.32Å; N106-C108 PolarHBondContact O-N 3.43Å; N106-L109 PolarHBondContact O-N 3.18Å; N106-A110 WeakPolarHBondContact O-CB 2.87Å; N106-A110 PolarHBondContact O-N 2.96Å
107	D	51.7	Low	44.2	Very low	103 Å²	103	85.5 Å²	85.5	55%	0.551	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-31.6	175.8	-69.8	-11.7	0	0	0	112.4	Q103 C104	Q103-D107 WeakPolarHBondContact O-CB 3.31Å; Q103-D107 VanDerWaalsContact O-CG 3.23Å; Q103-D107 PolarHBondContact O-N 3.4Å; C104-D107 PolarHBondContact O-N 3.19Å
108	C	43.3	Very low	43.2	Very low	109 Å²	109	91.8 Å²	91.8	74%	0.736	50%	0.504	S	S	*	.	H	α-helix	trans	-73.5	-34.5	173.9	-75.7	0	0	0	0	113.1	C104 L105 N106	C104-C108 WeakPolarHBondContact O-CB 3.29Å; C104-C108 PolarHBondContact O-N 3.38Å; C104-C108 PolarHBondContact O-SG 2.85Å; L105-C108 PolarHBondContact O-N 3.43Å; N106-C108 VanDerWaalsContact C-N 3.32Å; N106-C108 PolarHBondContact O-N 3.43Å
109	L	44.8	Very low	42.2	Very low	46 Å²	46	96.9 Å²	96.9	24%	0.241	54%	0.54	C	S	.	.	H	α-helix	trans	-92.3	-16.4	-177.8	-66.7	168.2	0	0	0	113.3	L12 H15 I41 L105 N106 I111	L12-L109 HydrophobicContact CD2-CD1 3.96Å; L12-L109 HydrophobicContact CG-CD1 4.23Å; H15-L109 HydrophobicContact CB-CB 4.1Å; I41-L109 HydrophobicContact CD1-CD1 3.92Å; I41-L109 HydrophobicContact CG1-CD1 4.03Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.4Å; L105-L109 PolarHBondContact O-N 3.25Å; N106-L109 PolarHBondContact O-N 3.18Å; L109-I111 VanDerWaalsContact C-N 3.3Å; L109-I111 PolarHBondContact O-N 3.45Å
110	A	42	Very low	40.9	Very low	45 Å²	45	100.3 Å²	100.3	37%	0.372	57%	0.567	S	S	.	*			trans	-70.8	86.1	173.6	0	0	0	0	0	109.9	N106 S112	N106-A110 WeakPolarHBondContact O-CB 2.87Å; N106-A110 PolarHBondContact O-N 2.96Å; A110-S112 PolarHBondContact O-N 3.45Å
111	I	37.5	Very low	39.6	Very low	151 Å²	151	101 Å²	101	77%	0.774	58%	0.583	S	S	*	*			trans	-61.6	110.9	165.5	-56.3	169.5	0	0	0	106.4	L109 E113	L109-I111 VanDerWaalsContact C-N 3.3Å; L109-I111 PolarHBondContact O-N 3.45Å; I111-E113 PolarHBondContact O-N 3.45Å; I111-E113 VanDerWaalsContact O-N 3.12Å
112	S	31.2	Very low	38.6	Very low	86 Å²	86	105.5 Å²	105.5	60%	0.601	61%	0.61	S	S	*	*			trans	-52.1	119.1	169.8	171	0	0	0	0	108.7	A110 R114	A110-S112 PolarHBondContact O-N 3.45Å; S112-R114 PolarHBondContact O-N 3.48Å
113	E	34.6	Very low	37.3	Very low	198 Å²	198	113.9 Å²	113.9	93%	0.925	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	29.5	177.5	-71.9	179	154.8	0	0	113.7	I111	I111-E113 PolarHBondContact O-N 3.45Å; I111-E113 VanDerWaalsContact O-N 3.12Å
114	R	32.7	Very low	35.8	Very low	233 Å²	233	118 Å²	118	88%	0.879	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	16.7	-173.3	-85.1	-171.6	176.5	177.8	-0.5	116.3	S112	S112-R114 PolarHBondContact O-N 3.48Å
115	S	29.6	Very low	34.9	Very low	110 Å²	110	120.7 Å²	120.7	77%	0.769	68%	0.683	S	S	*	*	S	Bend	trans	-135.6	17.3	171.3	78.6	0	0	0	0	115.4
116	A	26.5	Very low	33.6	Very low	101 Å²	101	124.8 Å²	124.8	84%	0.835	71%	0.713	S	S	*	*			trans	-108.8	64.5	170	0	0	0	0	0	109.1
117	V	30.8	Very low	32.4	Very low	130 Å²	130	129.1 Å²	129.1	79%	0.788	75%	0.745	S	S	*	*			trans	-122	115.5	157.3	179.4	0	0	0	0	106.1
118	E	26.2	Very low	31.5	Very low	189 Å²	189	129.4 Å²	129.4	88%	0.883	75%	0.752	S	S	*	*			trans	-24.3	125.5	162	-63.7	164.6	155.4	0	0	113.3
119	S	29.1	Very low	30.7	Very low	116 Å²	116	130.8 Å²	130.8	81%	0.811	76%	0.757	S	S	*	*			trans	-142.5	96	150.2	64.6	0	0	0	0	108.1
120	S	26.6	Very low	29.9	Very low	100 Å²	100	134.3 Å²	134.3	70%	0.699	79%	0.785	S	S	*	*			trans	-43.6	154.9	160.7	-112.3	0	0	0	0	111.9	V122	S120-V122 PolarHBondContact O-N 3.32Å
121	P	26.6	Very low	29.1	Very low	132 Å²	132	137.6 Å²	137.6	86%	0.857	80%	0.801	S	S	*	*			trans	-70.9	115.6	-179.9	31.1	-30.4	0	0	0	108.6
122	V	31.9	Very low	28.9	Very low	136 Å²	136	137.8 Å²	137.8	82%	0.824	81%	0.809	S	S	*	*			trans	-119.9	130.5	169.6	-178.4	0	0	0	0	108.6	S120	S120-V122 PolarHBondContact O-N 3.32Å
123	Q	28.3	Very low	28.8	Very low	186 Å²	186	140 Å²	140	87%	0.869	81%	0.812	S	S	*	*			trans	-57.4	152.3	-170.1	-76.3	168.7	-38.7	0	0	114.5
124	E	23.8	Very low	28.5	Very low	189 Å²	189	138.3 Å²	138.3	88%	0.883	81%	0.805	S	S	*	*			trans	-49.5	133.2	166.8	-65.2	175.5	149.5	0	0	112
125	T	30.8	Very low	28.2	Very low	138 Å²	138	137.4 Å²	137.4	85%	0.847	81%	0.807	S	S	*	*			trans	-163.8	121	137	12.5	0	0	0	0	111.6
126	S	26.5	Very low	28.1	Very low	100 Å²	100	138.3 Å²	138.3	70%	0.699	80%	0.802	S	S	*	*			trans	-12.7	137.3	164.8	51.7	0	0	0	0	122.9
127	S	25.6	Very low	28.4	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	80%	0.804	S	S	*	*			trans	86.4	159.2	132	-68.6	0	0	0	0	120.3
128	P	34.1	Very low	28.5	Very low	108 Å²	108	139.5 Å²	139.5	70%	0.701	80%	0.801	S	S	*	*				-137.5	160.1	-62.6	36.4	-17.5	0	0	0	114.3
129	V	26.6	Very low	28.8	Very low	139 Å²	139	134.7 Å²	134.7	84%	0.842	79%	0.794	S	S	*	*			trans	39.5	119.8	142.7	-174.7	0	0	0	0	120.4
130	S	26.1	Very low	28.9	Very low	119 Å²	119	136.2 Å²	136.2	83%	0.832	80%	0.799	S	S	*	*				-165.2	136.8	124.2	-155.8	0	0	0	0	113.4
131	T	27	Very low	29	Very low	115 Å²	115	134.2 Å²	134.2	71%	0.706	79%	0.794	S	S	*	*			trans	-95.4	146.7	-177.7	32.3	0	0	0	0	113
132	V	33.3	Very low	28.9	Very low	155 Å²	155	134.7 Å²	134.7	94%	0.939	80%	0.797	S	S	*	*			trans	-139.7	142.2	156.1	-177.3	0	0	0	0	111
133	I	27.5	Very low	28.8	Very low	131 Å²	131	134.3 Å²	134.3	67%	0.672	80%	0.795	S	S	*	*			trans	-112.5	145.9	-159.4	-77	171	0	0	0	112.1
134	Q	28.1	Very low	28.7	Very low	163 Å²	163	133.5 Å²	133.5	76%	0.762	79%	0.791	S	S	*	*			trans	46	143.5	151.4	-70.1	168.3	-3	0	0	124
135	K	27.8	Very low	28.9	Very low	215 Å²	215	130.7 Å²	130.7	94%	0.935	79%	0.789	S	S	*	*				-157.3	148.3	119.8	-121.8	175.1	-177.3	178.2	0	114.2
136	I	28.1	Very low	28.6	Very low	129 Å²	129	128.5 Å²	128.5	66%	0.662	79%	0.785	S	S	*	*			trans	-100.5	153.5	-168	-66.4	156.2	0	0	0	110.8
137	T	32.5	Very low	28.7	Very low	141 Å²	141	129 Å²	129	87%	0.865	79%	0.788	S	S	*	*			trans	-150.5	129.2	152.6	-31.7	0	0	0	0	111.8
138	P	31.6	Very low	28.7	Very low	114 Å²	114	128.1 Å²	128.1	74%	0.74	79%	0.788	S	S	*	*			trans	-114.8	155.7	178.8	38.8	-27.7	0	0	0	114.8
139	A	33.9	Very low	28.3	Very low	89 Å²	89	127.9 Å²	127.9	74%	0.736	79%	0.789	S	S	*	*			trans	-176.2	99	156	0	0	0	0	0	110.7
140	T	30	Very low	28.3	Very low	148 Å²	148	127.9 Å²	127.9	91%	0.908	79%	0.789	S	S	*	*				58.8	110.9	101.2	50	0	0	0	0	118.7
141	G	28.4	Very low	28.5	Very low	57 Å²	57	131.2 Å²	131.2	59%	0.588	79%	0.789	S	S	*	*			trans	171.1	139.9	163.7	0	0	0	0	0	110.7	T143	G141-T143 PolarHBondContact O-N 2.81Å; G141-T143 PolarHBondContact O-OG1 3.15Å
142	P	26.1	Very low	28.5	Very low	143 Å²	143	134.6 Å²	134.6	93%	0.929	80%	0.797	S	S	*	*			trans	-83.5	106.8	-158.6	33	-31.7	0	0	0	111.6
143	T	28.2	Very low	28.3	Very low	128 Å²	128	138.7 Å²	138.7	79%	0.785	80%	0.795	S	S	*	*			trans	-110.6	121	-177.2	-34.9	0	0	0	0	110.6	G141	G141-T143 PolarHBondContact O-N 2.81Å; G141-T143 PolarHBondContact O-OG1 3.15Å
144	Q	27.9	Very low	28.3	Very low	168 Å²	168	144.3 Å²	144.3	79%	0.785	81%	0.808	S	S	*	*			trans	4.8	143.9	159.3	-76.5	176.2	-26.3	0	0	119	A146	Q144-A146 PolarHBondContact O-N 2.82Å
145	P	26.5	Very low	28.2	Very low	130 Å²	130	147 Å²	147	84%	0.844	81%	0.811	S	S	*	*	S	Bend	trans	-51.8	119	178.1	24.4	-33	0	0	0	109.2	S147	P145-S147 PolarHBondContact O-N 3.45Å
146	A	25.9	Very low	28.2	Very low	92 Å²	92	141.4 Å²	141.4	76%	0.76	81%	0.805	S	S	*	*			trans	-48.9	117.3	-174.5	0	0	0	0	0	109.7	Q144 A148	Q144-A146 PolarHBondContact O-N 2.82Å; A146-A148 PolarHBondContact O-N 2.86Å
147	S	27.7	Very low	28.2	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	80%	0.803	S	S	*	*			trans	-39.2	114.6	158	46.4	0	0	0	0	108.2	P145 S149	P145-S147 PolarHBondContact O-N 3.45Å; S147-S149 PolarHBondContact O-N 3.29Å
148	A	24.9	Very low	28	Very low	96 Å²	96	141 Å²	141	79%	0.793	80%	0.801	S	S	*	*			trans	-48.4	108.2	178.6	0	0	0	0	0	108.3	A146 V150	A146-A148 PolarHBondContact O-N 2.86Å; A148-V150 PolarHBondContact O-N 3.46Å
149	S	26.7	Very low	27.9	Very low	103 Å²	103	145.5 Å²	145.5	72%	0.72	81%	0.805	S	S	*	*			trans	-46.1	119.1	172.2	55.4	0	0	0	0	107.3	S147 K151	S147-S149 PolarHBondContact O-N 3.29Å; S149-K151 VanDerWaalsContact C-N 3.33Å; S149-K151 PolarHBondContact O-N 3.28Å
150	V	26.3	Very low	27.9	Very low	139 Å²	139	143.5 Å²	143.5	84%	0.842	79%	0.785	S	S	*	*			trans	-48.7	99.6	175.8	176.2	0	0	0	0	107.2	A148 Q152	A148-V150 PolarHBondContact O-N 3.46Å; V150-Q152 PolarHBondContact O-N 2.76Å
151	K	29.6	Very low	28.3	Very low	190 Å²	190	138.9 Å²	138.9	83%	0.826	76%	0.758	S	S	*	*			trans	-56.2	114.1	171.3	-88.8	-177.7	179.2	173.4	0	105.2	S149 R153	S149-K151 VanDerWaalsContact C-N 3.33Å; S149-K151 PolarHBondContact O-N 3.28Å; K151-R153 VanDerWaalsContact C-N 3.35Å; K151-R153 PolarHBondContact O-N 3.39Å
152	Q	28.2	Very low	28.6	Very low	186 Å²	186	141 Å²	141	87%	0.869	76%	0.76	S	S	*	*			trans	-41.4	100.1	172.3	-141.5	172.5	1.7	0	0	107.5	V150 R154	V150-Q152 PolarHBondContact O-N 2.76Å; Q152-R154 PolarHBondContact O-N 2.95Å
153	R	28.3	Very low	29.5	Very low	241 Å²	241	137.3 Å²	137.3	91%	0.909	74%	0.735	S	S	*	*			trans	-59	113.3	176.1	-100.2	-176.3	172.3	-175.9	-1.5	105.2	K151 R155	K151-R153 VanDerWaalsContact C-N 3.35Å; K151-R153 PolarHBondContact O-N 3.39Å; R153-R155 PolarHBondContact O-N 2.88Å
154	R	26.9	Very low	30	Very low	248 Å²	248	133 Å²	133	94%	0.936	71%	0.712	S	S	*	*			trans	-48.8	109.8	173.9	-72.7	-177.1	173.1	-171.9	-1.6	107	Q152 A156	Q152-R154 PolarHBondContact O-N 2.95Å; R154-A156 PolarHBondContact O-N 2.99Å
155	R	26.1	Very low	30.4	Very low	220 Å²	220	132.3 Å²	132.3	83%	0.83	70%	0.703	S	S	*	*			trans	-50.4	125.1	168.2	-86.4	178	160.3	-177	-7.5	106.7	R153 V157	R153-R155 PolarHBondContact O-N 2.88Å; R155-V157 PolarHBondContact O-N 3.25Å
156	A	27.9	Very low	31.1	Very low	98 Å²	98	128.4 Å²	128.4	81%	0.81	68%	0.679	S	S	*	*			trans	-63.1	92.2	165.2	0	0	0	0	0	106.6	R154 L158	R154-A156 PolarHBondContact O-N 2.99Å; A156-L158 PolarHBondContact O-N 3.34Å
157	V	28.8	Very low	31.5	Very low	101 Å²	101	131.9 Å²	131.9	61%	0.612	67%	0.672	S	S	*	*			trans	-68.9	102	172.7	178	0	0	0	0	105.6	R155 Y159	R155-V157 PolarHBondContact O-N 3.25Å; V157-Y159 PolarHBondContact O-N 3.25Å
158	L	28.3	Very low	32.2	Very low	159 Å²	159	132.3 Å²	132.3	83%	0.832	66%	0.662	S	S	*	*			trans	-55.1	112.7	165.4	-80.2	159.8	0	0	0	107.3	A156 S160	A156-L158 PolarHBondContact O-N 3.34Å; L158-S160 PolarHBondContact O-N 2.96Å
159	Y	30.3	Very low	33.3	Very low	210 Å²	210	133.2 Å²	133.2	82%	0.824	65%	0.648	S	S	*	*			trans	-63.8	96.1	175	-99.7	-101.1	0	0	0	108.6	V157	V157-Y159 PolarHBondContact O-N 3.25Å
160	S	33.8	Very low	34.1	Very low	46 Å²	46	138.9 Å²	138.9	32%	0.322	65%	0.654	S	S	.	*			trans	-83.1	126.1	166.8	166.3	0	0	0	0	109.1	L158 V162 T163 A164	L158-S160 PolarHBondContact O-N 2.96Å; S160-V162 PolarHBondContact O-N 3.35Å; S160-V162 VanDerWaalsContact O-N 3.16Å; S160-V162 PolarHBondContact OG-N 3.45Å; S160-T163 WeakPolarHBondContact O-CA 3.08Å; S160-T163 PolarHBondContact O-N 2.97Å; S160-T163 PolarHBondContact O-OG1 2.9Å; S160-A164 PolarHBondContact O-N 2.99Å
161	P	38	Very low	34.6	Very low	51 Å²	51	138.3 Å²	138.3	33%	0.331	65%	0.645	S	S	.	*	H	α-helix	trans	-55.5	-29.7	174.5	-26.9	36.4	0	0	0	113.3	T163 A164 Y165 W226	P161-T163 VanDerWaalsContact C-N 3.32Å; P161-T163 PolarHBondContact O-N 3.41Å; P161-A164 PolarHBondContact O-N 2.88Å; P161-Y165 WeakPolarHBondContact O-CB 3.22Å; P161-Y165 PolarHBondContact O-N 2.91Å; P161-W226 HydrophobicContact CB-CH2 3.88Å; P161-W226 HydrophobicContact CB-CZ2 4.13Å; P161-W226 HydrophobicContact CB-CZ3 4.13Å; P161-W226 HydrophobicContact CG-CD2 4.19Å; P161-W226 HydrophobicContact CG-CE3 4.4Å; P161-W226 HydrophobicContact CG-CH2 3.94Å; P161-W226 HydrophobicContact CG-CZ2 3.69Å; P161-W226 HydrophobicContact CG-CZ3 4.27Å
162	V	34.7	Very low	34.9	Very low	103 Å²	103	132 Å²	132	62%	0.624	63%	0.634	S	S	*	*	H	α-helix	trans	-63.4	-39.8	175	-175.1	0	0	0	0	110.8	S160 S166	S160-V162 PolarHBondContact O-N 3.35Å; S160-V162 VanDerWaalsContact O-N 3.16Å; S160-V162 PolarHBondContact OG-N 3.45Å; V162-S166 WeakPolarHBondContact O-CB 3.36Å; V162-S166 PolarHBondContact O-N 3.48Å; V162-S166 VanDerWaalsContact O-N 3.13Å; V162-S166 PolarHBondContact O-OG 3.27Å
163	T	44	Very low	35.6	Very low	65 Å²	65	128.4 Å²	128.4	40%	0.399	63%	0.625	S	S	.	*	H	α-helix	trans	-76.2	-25.6	175.1	64.9	0	0	0	0	113.3	S160 P161 S166 R167	S160-T163 WeakPolarHBondContact O-CA 3.08Å; S160-T163 PolarHBondContact O-N 2.97Å; S160-T163 PolarHBondContact O-OG1 2.9Å; P161-T163 VanDerWaalsContact C-N 3.32Å; P161-T163 PolarHBondContact O-N 3.41Å; T163-S166 WeakPolarHBondContact CA-OG 3.15Å; T163-S166 PolarHBondContact O-OG 2.95Å; T163-R167 WeakPolarHBondContact O-CB 3.3Å; T163-R167 WeakPolarHBondContact O-CG 3.3Å; T163-R167 PolarHBondContact O-N 2.89Å
164	A	39.2	Very low	35.9	Very low	38 Å²	38	121 Å²	121	31%	0.314	62%	0.615	S	S	.	*	H	α-helix	trans	-75.1	-43.5	175.3	0	0	0	0	0	111.9	S160 P161 R167 Q168	S160-A164 PolarHBondContact O-N 2.99Å; P161-A164 PolarHBondContact O-N 2.88Å; A164-R167 PolarHBondContact O-N 3.18Å; A164-Q168 WeakPolarHBondContact O-CB 3.26Å; A164-Q168 PolarHBondContact O-N 3.07Å
165	Y	37.1	Very low	36.2	Very low	152 Å²	152	120.1 Å²	120.1	60%	0.596	61%	0.612	S	S	*	*	H	α-helix	trans	-65.2	-44.6	175.1	-175.5	-100.1	0	0	0	111.3	P161 R167 Q168 K169	P161-Y165 WeakPolarHBondContact O-CB 3.22Å; P161-Y165 PolarHBondContact O-N 2.91Å; Y165-R167 PolarHBondContact O-N 3.46Å; Y165-Q168 PolarHBondContact O-N 3.39Å; Y165-K169 HydrophobicContact CE1-CD 4.37Å; Y165-K169 WeakPolarHBondContact O-CB 2.96Å; Y165-K169 PolarHBondContact O-N 3.47Å
166	S	40.6	Very low	36.4	Very low	48 Å²	48	119.1 Å²	119.1	34%	0.336	61%	0.613	S	S	.	*	H	α-helix	trans	-69.7	-29.5	175.2	50	0	0	0	0	113	V162 T163 R170	V162-S166 WeakPolarHBondContact O-CB 3.36Å; V162-S166 PolarHBondContact O-N 3.48Å; V162-S166 VanDerWaalsContact O-N 3.13Å; V162-S166 PolarHBondContact O-OG 3.27Å; T163-S166 WeakPolarHBondContact CA-OG 3.15Å; T163-S166 PolarHBondContact O-OG 2.95Å; S166-R170 VanDerWaalsContact O-CB 3.28Å; S166-R170 WeakPolarHBondContact O-CB 3.2Å; S166-R170 VanDerWaalsContact O-CG 3.24Å; S166-R170 WeakPolarHBondContact O-CG 3.49Å; S166-R170 PolarHBondContact O-N 3.42Å
167	R	35.1	Very low	36.8	Very low	166 Å²	166	126.5 Å²	126.5	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-68.2	-40.2	166.4	-82.8	178.6	178.8	-152	0.4	112.6	T163 A164 Y165 K169 R170 L171	T163-R167 WeakPolarHBondContact O-CB 3.3Å; T163-R167 WeakPolarHBondContact O-CG 3.3Å; T163-R167 PolarHBondContact O-N 2.89Å; A164-R167 PolarHBondContact O-N 3.18Å; Y165-R167 PolarHBondContact O-N 3.46Å; R167-K169 VanDerWaalsContact C-N 3.34Å; R167-R170 PolarHBondContact O-N 2.93Å; R167-L171 HydrophobicContact CB-CD1 4.46Å; R167-L171 WeakPolarHBondContact O-CB 3.31Å; R167-L171 WeakPolarHBondContact O-CD1 3.09Å; R167-L171 WeakPolarHBondContact O-CG 3.49Å; R167-L171 PolarHBondContact O-N 3.04Å
168	Q	41	Very low	37.1	Very low	119 Å²	119	131.7 Å²	131.7	56%	0.556	63%	0.634	S	S	*	*	H	α-helix	trans	-65	-36.7	174.4	-94.6	-178.4	-18.7	0	0	112.4	A164 Y165	A164-Q168 WeakPolarHBondContact O-CB 3.26Å; A164-Q168 PolarHBondContact O-N 3.07Å; Y165-Q168 PolarHBondContact O-N 3.39Å
169	K	48.4	Very low	37.2	Very low	114 Å²	114	134 Å²	134	50%	0.496	64%	0.638	S	S	.	*	H	α-helix	trans	-68.8	-41.8	173.8	-150.5	177	-178.1	-173.9	0	110.8	Y165 R167 E304	Y165-K169 HydrophobicContact CE1-CD 4.37Å; Y165-K169 WeakPolarHBondContact O-CB 2.96Å; Y165-K169 PolarHBondContact O-N 3.47Å; R167-K169 VanDerWaalsContact C-N 3.34Å; K169-E304 IonicContact NZ-OE1 2.72Å; K169-E304 PolarHBondContact NZ-OE1 3.1Å; K169-E304 IonicContact NZ-OE2 2.74Å; K169-E304 PolarHBondContact NZ-OE2 3.12Å
170	R	42.7	Very low	37.3	Very low	223 Å²	223	132.9 Å²	132.9	84%	0.842	64%	0.637	S	S	*	*	H	α-helix	trans	-71.4	-32.1	175.8	-76.8	-179.2	-171.2	-158.1	3	114.4	S166 R167 G172	S166-R170 VanDerWaalsContact O-CB 3.28Å; S166-R170 WeakPolarHBondContact O-CB 3.2Å; S166-R170 VanDerWaalsContact O-CG 3.24Å; S166-R170 WeakPolarHBondContact O-CG 3.49Å; S166-R170 PolarHBondContact O-N 3.42Å; R167-R170 PolarHBondContact O-N 2.93Å; R170-G172 VanDerWaalsContact C-N 3.25Å; R170-G172 PolarHBondContact O-N 3.23Å
171	L	38.7	Very low	37.2	Very low	127 Å²	127	136.5 Å²	136.5	67%	0.665	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	3.6	179.6	-70.9	167.1	0	0	0	113.2	R167 V173	R167-L171 HydrophobicContact CB-CD1 4.46Å; R167-L171 WeakPolarHBondContact O-CB 3.31Å; R167-L171 WeakPolarHBondContact O-CD1 3.09Å; R167-L171 WeakPolarHBondContact O-CG 3.49Å; R167-L171 PolarHBondContact O-N 3.04Å; L171-V173 HydrophobicContact CB-CG2 4.05Å; L171-V173 WeakPolarHBondContact O-CG2 3.09Å; L171-V173 PolarHBondContact O-N 2.87Å
172	G	34.8	Very low	36.9	Very low	56 Å²	56	144.4 Å²	144.4	58%	0.577	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.2	7.7	173.5	0	0	0	0	0	115.7	R170 A174	R170-G172 VanDerWaalsContact C-N 3.25Å; R170-G172 PolarHBondContact O-N 3.23Å; G172-A174 VanDerWaalsContact C-N 3.31Å; G172-A174 PolarHBondContact O-N 3.29Å
173	V	42.3	Very low	36.9	Very low	112 Å²	112	146.5 Å²	146.5	68%	0.679	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-17	-172.5	-173.8	0	0	0	0	112.6	L171 R175	L171-V173 HydrophobicContact CB-CG2 4.05Å; L171-V173 WeakPolarHBondContact O-CG2 3.09Å; L171-V173 PolarHBondContact O-N 2.87Å; V173-R175 VanDerWaalsContact C-N 3.35Å; V173-R175 PolarHBondContact O-N 3.48Å
174	A	35.8	Very low	36.2	Very low	86 Å²	86	150.9 Å²	150.9	71%	0.711	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-2	-177.6	0	0	0	0	0	115.4	G172	G172-A174 VanDerWaalsContact C-N 3.31Å; G172-A174 PolarHBondContact O-N 3.29Å
175	R	32	Very low	35.6	Very low	229 Å²	229	152 Å²	152	86%	0.864	72%	0.721	S	S	*	*	S	Bend	trans	-113.8	42.3	-170.9	-87	-171.3	171.6	-178	-1.3	115.2	V173	V173-R175 VanDerWaalsContact C-N 3.35Å; V173-R175 PolarHBondContact O-N 3.48Å
176	K	32.2	Very low	35.3	Very low	198 Å²	198	152.8 Å²	152.8	86%	0.861	73%	0.734	S	S	*	*			trans	-151	69.7	167.5	-70.7	-167.1	-178.8	175.9	0	114
177	R	35	Very low	34.7	Very low	254 Å²	254	158.6 Å²	158.6	96%	0.958	76%	0.755	S	S	*	*			trans	-134.7	98.5	150.5	-74.5	-166.6	173.7	175.3	-2.6	109.4
178	K	34.9	Very low	34.6	Very low	209 Å²	209	153.4 Å²	153.4	91%	0.909	75%	0.748	S	S	*	*			trans	-60.7	143.4	175.7	-76.7	-178.8	171.7	-179.1	0	110	K180	K178-K180 PolarHBondContact O-N 3.41Å
179	K	30.4	Very low	34.2	Very low	207 Å²	207	153.5 Å²	153.5	90%	0.9	76%	0.759	S	S	*	*			trans	-35.4	118.3	161.3	-69.1	171.6	173.1	176.2	0	111.5
180	K	33.2	Very low	33.3	Very low	188 Å²	188	153.1 Å²	153.1	82%	0.817	77%	0.77	S	S	*	*			trans	-164.5	130.4	149	-118.6	-178	174.9	-171.2	0	112.3	K178	K178-K180 PolarHBondContact O-N 3.41Å
181	D	31.1	Very low	32.7	Very low	122 Å²	122	149.2 Å²	149.2	65%	0.652	77%	0.766	S	S	*	*			trans	67.3	112.9	159.5	-55.8	-31.3	0	0	0	121.4	N183	D181-N183 PolarHBondContact O-N 2.83Å; D181-N183 VanDerWaalsContact O-N 3.14Å
182	K	32.4	Very low	32.5	Very low	216 Å²	216	150.7 Å²	150.7	94%	0.939	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	22.1	-180	-76.1	-178.6	170.4	-179.3	0	114.5
183	N	33.9	Very low	32.3	Very low	147 Å²	147	151.6 Å²	151.6	79%	0.786	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	20.2	-172.5	-92.4	2.3	0	0	0	115.6	D181	D181-N183 PolarHBondContact O-N 2.83Å; D181-N183 VanDerWaalsContact O-N 3.14Å
184	H	29.1	Very low	31.6	Very low	157 Å²	157	153.3 Å²	153.3	73%	0.727	78%	0.775	S	S	*	*			trans	-114.1	98.9	176.4	-72.3	-9.5	0	0	0	111.2
185	G	27.6	Very low	31.5	Very low	63 Å²	63	155.5 Å²	155.5	65%	0.649	77%	0.774	S	S	*	*			trans	-50.4	151.7	159.9	0	0	0	0	0	110.5	H187	G185-H187 PolarHBondContact O-N 3.44Å
186	I	30.1	Very low	31.3	Very low	167 Å²	167	149.4 Å²	149.4	86%	0.856	76%	0.764	S	S	*	*			trans	-42.7	101.6	178.3	-58.8	163.2	0	0	0	109	A188	I186-A188 PolarHBondContact O-N 3.41Å
187	H	29	Very low	31.1	Very low	170 Å²	170	145.1 Å²	145.1	79%	0.787	77%	0.766	S	S	*	*			trans	-64.7	96.5	160.4	-91.6	-69.2	0	0	0	106	G185	G185-H187 PolarHBondContact O-N 3.44Å
188	A	31.1	Very low	30.9	Very low	58 Å²	58	136.3 Å²	136.3	48%	0.479	74%	0.743	S	S	.	*			trans	-47.3	141.3	157.4	0	0	0	0	0	107.9	I186 S190	I186-A188 PolarHBondContact O-N 3.41Å; A188-S190 VanDerWaalsContact C-N 3.32Å; A188-S190 PolarHBondContact O-N 3.35Å
189	P	32.6	Very low	30.7	Very low	120 Å²	120	132.4 Å²	132.4	78%	0.779	74%	0.742	S	S	*	*			trans	-57.8	108.7	160.7	11.4	-2.9	0	0	0	105.5	L191	P189-L191 PolarHBondContact O-N 2.83Å
190	S	29.8	Very low	31	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	74%	0.739	S	S	*	*			trans	-50.4	137.9	174.3	50.5	0	0	0	0	108.6	A188 I192	A188-S190 VanDerWaalsContact C-N 3.32Å; A188-S190 PolarHBondContact O-N 3.35Å; S190-I192 PolarHBondContact O-N 3.34Å
191	L	31.7	Very low	31.3	Very low	142 Å²	142	121.4 Å²	121.4	74%	0.743	72%	0.718	S	S	*	*			trans	-31.4	130.7	177.1	-72.9	93.7	0	0	0	112.8	P189 S193	P189-L191 PolarHBondContact O-N 2.83Å; L191-S193 WeakPolarHBondContact CB-OG 3.4Å; L191-S193 PolarHBondContact O-N 3.27Å
192	I	32.6	Very low	31.9	Very low	158 Å²	158	120.9 Å²	120.9	81%	0.81	72%	0.716	S	S	*	*	S	Bend	trans	-75.7	74.6	157.4	-56.3	167.5	0	0	0	104.9	S190	S190-I192 PolarHBondContact O-N 3.34Å
193	S	31.5	Very low	32.3	Very low	75 Å²	75	118.1 Å²	118.1	52%	0.524	70%	0.704	S	S	.	*			trans	-126.6	-4.5	176	60.7	0	0	0	0	113.5	L191	L191-S193 WeakPolarHBondContact CB-OG 3.4Å; L191-S193 PolarHBondContact O-N 3.27Å
194	D	28.5	Very low	32.6	Very low	147 Å²	147	113.3 Å²	113.3	79%	0.786	68%	0.684	S	S	*	*			trans	-117.3	72.4	177	-59.2	-22.5	0	0	0	109.4	P196	D194-P196 WeakPolarHBondContact O-CD 3.24Å
195	I	32.6	Very low	33.3	Very low	132 Å²	132	109.7 Å²	109.7	68%	0.677	67%	0.67	S	S	*	*			trans	-89.2	105.7	157.8	-59.7	176.8	0	0	0	105.1	A197	I195-A197 PolarHBondContact O-N 3.07Å
196	P	27.8	Very low	34.3	Very low	102 Å²	102	109.2 Å²	109.2	66%	0.662	66%	0.657	S	S	*	*			trans	-59.8	130.1	174.2	25.4	-30.6	0	0	0	107.6	D194 S198	D194-P196 WeakPolarHBondContact O-CD 3.24Å; P196-S198 PolarHBondContact O-N 2.97Å
197	A	28.2	Very low	34.8	Very low	108 Å²	108	108.9 Å²	108.9	89%	0.893	65%	0.645	S	S	*	*			trans	-64.9	72.6	169.6	0	0	0	0	0	109.2	I195 S199	I195-A197 PolarHBondContact O-N 3.07Å; A197-S199 PolarHBondContact O-N 2.9Å
198	S	30	Very low	35.4	Very low	69 Å²	69	109.2 Å²	109.2	48%	0.483	64%	0.639	S	S	.	*			trans	-83.3	103.4	166.2	67.4	0	0	0	0	107.4	P196 G200	P196-S198 PolarHBondContact O-N 2.97Å; S198-G200 PolarHBondContact O-N 3.43Å; S198-G200 VanDerWaalsContact O-N 3.13Å
199	S	30.8	Very low	36.4	Very low	127 Å²	127	112.8 Å²	112.8	89%	0.888	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.2	113.7	163.7	40.6	0	0	0	0	110.2	A197	A197-S199 PolarHBondContact O-N 2.9Å
200	G	37.1	Very low	36.9	Very low	81 Å²	81	109.8 Å²	109.8	84%	0.835	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.5	1.2	169.5	0	0	0	0	0	117.8	S198 D202	S198-G200 PolarHBondContact O-N 3.43Å; S198-G200 VanDerWaalsContact O-N 3.13Å; G200-D202 PolarHBondContact O-N 2.91Å
201	E	39.4	Very low	37.6	Very low	83 Å²	83	110.4 Å²	110.4	39%	0.388	62%	0.616	S	S	.	*			trans	-75	116.1	172.8	-81.8	-159.8	143.7	0	0	111.7	F203 R209	E201-F203 PolarHBondContact O-N 3.47Å; E201-R209 VanDerWaalsContact CD-NH1 3.34Å; E201-R209 IonicContact OE1-CZ 2.73Å; E201-R209 IonicContact OE1-NH1 2.65Å; E201-R209 PolarHBondContact OE1-NH1 3.49Å; E201-R209 IonicContact OE1-NH2 2.78Å; E201-R209 PolarHBondContact OE1-NH2 2.87Å; E201-R209 IonicContact OE2-CZ 2.78Å; E201-R209 IonicContact OE2-NH1 3.4Å; E201-R209 PolarHBondContact OE2-NH1 2.78Å
202	D	43.9	Very low	38.3	Very low	111 Å²	111	108.1 Å²	108.1	59%	0.594	60%	0.603	S	S	*	*			trans	-39.4	116.1	176.9	-140.9	-8.5	0	0	0	111.9	G200 A204 L205 S206	G200-D202 PolarHBondContact O-N 2.91Å; D202-A204 PolarHBondContact O-N 3.49Å; D202-L205 HydrophobicContact CB-CB 4.37Å; D202-L205 HydrophobicContact CB-CD1 4.12Å; D202-L205 WeakPolarHBondContact O-CA 3.13Å; D202-L205 WeakPolarHBondContact O-CB 3.38Å; D202-L205 PolarHBondContact O-N 3.25Å; D202-S206 PolarHBondContact O-N 3.4Å
203	F	41.1	Very low	38.8	Very low	158 Å²	158	103 Å²	103	69%	0.693	59%	0.585	S	S	*	*	H	α-helix	trans	-50.8	-30.7	-177.2	-176.5	-97.1	0	0	0	112.5	E201 R207	E201-F203 PolarHBondContact O-N 3.47Å; F203-R207 VanDerWaalsContact O-CB 3.3Å; F203-R207 WeakPolarHBondContact O-CB 3.33Å; F203-R207 PolarHBondContact O-N 2.96Å
204	A	40.6	Very low	39.2	Very low	45 Å²	45	103.3 Å²	103.3	37%	0.372	58%	0.583	S	S	.	*	H	α-helix	trans	-62.6	-38.5	174.2	0	0	0	0	0	113.7	D202 R208	D202-A204 PolarHBondContact O-N 3.49Å; A204-R208 VanDerWaalsContact O-CB 3.28Å; A204-R208 WeakPolarHBondContact O-CB 3.45Å; A204-R208 PolarHBondContact O-N 3.47Å
205	L	44.4	Very low	40.1	Very low	82 Å²	82	101.9 Å²	101.9	43%	0.429	57%	0.57	S	S	.	*	H	α-helix	trans	-70.7	-45.3	177.9	-96.6	156.5	0	0	0	111.4	D202 R207 R208 R209	D202-L205 HydrophobicContact CB-CB 4.37Å; D202-L205 HydrophobicContact CB-CD1 4.12Å; D202-L205 WeakPolarHBondContact O-CA 3.13Å; D202-L205 WeakPolarHBondContact O-CB 3.38Å; D202-L205 PolarHBondContact O-N 3.25Å; L205-R207 PolarHBondContact O-N 2.96Å; L205-R208 PolarHBondContact O-N 3.14Å; L205-R208 VanDerWaalsContact O-N 3.16Å; L205-R209 WeakPolarHBondContact O-CG 3.43Å; L205-R209 PolarHBondContact O-N 2.88Å
206	S	46.8	Very low	40.8	Very low	53 Å²	53	103.2 Å²	103.2	37%	0.371	57%	0.571	S	S	.	*	H	α-helix	trans	-60.4	-46	175.3	-69	0	0	0	0	111.6	D202 R208 R209 A210	D202-S206 PolarHBondContact O-N 3.4Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 3.5Å; S206-R209 PolarHBondContact O-N 3.45Å; S206-A210 WeakPolarHBondContact O-CB 2.92Å; S206-A210 PolarHBondContact O-N 2.75Å
207	R	41.2	Very low	41.2	Very low	160 Å²	160	101.2 Å²	101.2	60%	0.604	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-39	173.9	-173.3	176.4	56.4	-173.9	-6.3	112.5	F203 L205 H211	F203-R207 VanDerWaalsContact O-CB 3.3Å; F203-R207 WeakPolarHBondContact O-CB 3.33Å; F203-R207 PolarHBondContact O-N 2.96Å; L205-R207 PolarHBondContact O-N 2.96Å; R207-H211 WeakPolarHBondContact O-CB 3.1Å; R207-H211 PolarHBondContact O-N 2.87Å
208	R	41.8	Very low	41.8	Very low	176 Å²	176	99.4 Å²	99.4	66%	0.664	54%	0.541	S	S	*	.	H	α-helix	trans	-70	-38.5	177.9	-160.9	177	-168.6	-177.2	3.6	112.1	A204 L205 S206 M212	A204-R208 VanDerWaalsContact O-CB 3.28Å; A204-R208 WeakPolarHBondContact O-CB 3.45Å; A204-R208 PolarHBondContact O-N 3.47Å; L205-R208 PolarHBondContact O-N 3.14Å; L205-R208 VanDerWaalsContact O-N 3.16Å; S206-R208 VanDerWaalsContact C-N 3.32Å; S206-R208 PolarHBondContact O-N 3.5Å; R208-M212 WeakPolarHBondContact O-CG 3.28Å; R208-M212 PolarHBondContact O-N 3.34Å
209	R	52.5	Low	42.3	Very low	133 Å²	133	100 Å²	100	50%	0.502	54%	0.537	S	S	.	.	H	α-helix	trans	-64.2	-46.9	174	-73	179.2	-175.2	160.5	4.7	110.7	E201 L205 S206 H211 M212 A213	E201-R209 VanDerWaalsContact CD-NH1 3.34Å; E201-R209 IonicContact OE1-CZ 2.73Å; E201-R209 IonicContact OE1-NH1 2.65Å; E201-R209 PolarHBondContact OE1-NH1 3.49Å; E201-R209 IonicContact OE1-NH2 2.78Å; E201-R209 PolarHBondContact OE1-NH2 2.87Å; E201-R209 IonicContact OE2-CZ 2.78Å; E201-R209 IonicContact OE2-NH1 3.4Å; E201-R209 PolarHBondContact OE2-NH1 2.78Å; L205-R209 WeakPolarHBondContact O-CG 3.43Å; L205-R209 PolarHBondContact O-N 2.88Å; S206-R209 PolarHBondContact O-N 3.45Å; R209-H211 PolarHBondContact O-N 3.44Å; R209-M212 PolarHBondContact O-N 3.45Å; R209-A213 PolarHBondContact O-N 3.36Å
210	A	43.2	Very low	42.7	Very low	57 Å²	57	99.2 Å²	99.2	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-59.7	-43.5	175.8	0	0	0	0	0	112.5	S206 M212 A213 T214	S206-A210 WeakPolarHBondContact O-CB 2.92Å; S206-A210 PolarHBondContact O-N 2.75Å; A210-M212 VanDerWaalsContact C-N 3.35Å; A210-M212 PolarHBondContact O-N 3.06Å; A210-A213 PolarHBondContact O-N 2.96Å; A210-T214 PolarHBondContact O-N 3.26Å; A210-T214 PolarHBondContact O-OG1 2.62Å
211	H	43.5	Very low	42.7	Very low	119 Å²	119	102 Å²	102	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-65.2	-34.1	175.9	-175.1	-85.3	0	0	0	113	R207 R209 T214 K215	R207-H211 WeakPolarHBondContact O-CB 3.1Å; R207-H211 PolarHBondContact O-N 2.87Å; R209-H211 PolarHBondContact O-N 3.44Å; H211-T214 VanDerWaalsContact C-OG1 3.31Å; H211-T214 VanDerWaalsContact CA-OG1 3.27Å; H211-T214 WeakPolarHBondContact CA-OG1 3.28Å; H211-T214 PolarHBondContact O-OG1 2.77Å; H211-K215 VanDerWaalsContact O-CB 3.3Å; H211-K215 WeakPolarHBondContact O-CB 3.36Å; H211-K215 PolarHBondContact O-N 2.77Å
212	M	46.4	Very low	42.8	Very low	95 Å²	95	103.7 Å²	103.7	47%	0.468	51%	0.514	S	S	.	.	H	α-helix	trans	-74.8	-35.4	175.3	-72.4	-66.1	175.8	0	0	112.6	R208 R209 A210 K216	R208-M212 WeakPolarHBondContact O-CG 3.28Å; R208-M212 PolarHBondContact O-N 3.34Å; R209-M212 PolarHBondContact O-N 3.45Å; A210-M212 VanDerWaalsContact C-N 3.35Å; A210-M212 PolarHBondContact O-N 3.06Å; M212-K216 WeakPolarHBondContact O-CG 3.25Å; M212-K216 PolarHBondContact O-N 2.77Å
213	A	43.7	Very low	42.7	Very low	51 Å²	51	102.9 Å²	102.9	42%	0.421	51%	0.509	S	S	.	.	H	α-helix	trans	-64.7	-48.3	175	0	0	0	0	0	111.3	R209 A210 K215 K216 A217	R209-A213 PolarHBondContact O-N 3.36Å; A210-A213 PolarHBondContact O-N 2.96Å; A213-K215 PolarHBondContact O-N 3.4Å; A213-K216 PolarHBondContact O-N 2.91Å; A213-A217 WeakPolarHBondContact O-CB 3.04Å; A213-A217 PolarHBondContact O-N 2.68Å
214	T	40.7	Very low	42.8	Very low	81 Å²	81	96.8 Å²	96.8	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-58.8	-47	173.3	41.5	0	0	0	0	111.3	A210 H211 K216 A217 T218	A210-T214 PolarHBondContact O-N 3.26Å; A210-T214 PolarHBondContact O-OG1 2.62Å; H211-T214 VanDerWaalsContact C-OG1 3.31Å; H211-T214 VanDerWaalsContact CA-OG1 3.27Å; H211-T214 WeakPolarHBondContact CA-OG1 3.28Å; H211-T214 PolarHBondContact O-OG1 2.77Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.83Å; T214-A217 PolarHBondContact O-N 3.39Å; T214-A217 VanDerWaalsContact O-N 3.15Å; T214-T218 PolarHBondContact O-N 3.36Å; T214-T218 PolarHBondContact O-OG1 2.73Å
215	K	47.2	Very low	42.9	Very low	116 Å²	116	96.3 Å²	96.3	50%	0.504	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-40.8	176	-169.4	177	-176.8	177.7	0	113	H211 A213 I219	H211-K215 VanDerWaalsContact O-CB 3.3Å; H211-K215 WeakPolarHBondContact O-CB 3.36Å; H211-K215 PolarHBondContact O-N 2.77Å; A213-K215 PolarHBondContact O-N 3.4Å; K215-I219 HydrophobicContact CG-CD1 4.23Å; K215-I219 WeakPolarHBondContact O-CD1 3.29Å; K215-I219 VanDerWaalsContact O-CG1 3.24Å; K215-I219 WeakPolarHBondContact O-CG1 3.35Å; K215-I219 PolarHBondContact O-N 3.1Å
216	K	45.8	Very low	42.7	Very low	161 Å²	161	95.3 Å²	95.3	70%	0.7	47%	0.468	S	S	*	.	H	α-helix	trans	-66	-43.2	174.8	-81.1	-177.6	179.5	177.8	0	111.9	M212 A213 T214 I219 H220	M212-K216 WeakPolarHBondContact O-CG 3.25Å; M212-K216 PolarHBondContact O-N 2.77Å; A213-K216 PolarHBondContact O-N 2.91Å; T214-K216 VanDerWaalsContact C-N 3.33Å; T214-K216 PolarHBondContact O-N 2.83Å; K216-I219 PolarHBondContact O-N 2.98Å; K216-H220 PolarHBondContact O-N 3.32Å
217	A	37.9	Very low	42.6	Very low	59 Å²	59	99.2 Å²	99.2	49%	0.488	48%	0.475	S	S	.	.	H	α-helix	trans	-62.3	-43	176.9	0	0	0	0	0	111.4	A213 T214 I219 H220 Y221	A213-A217 WeakPolarHBondContact O-CB 3.04Å; A213-A217 PolarHBondContact O-N 2.68Å; T214-A217 PolarHBondContact O-N 3.39Å; T214-A217 VanDerWaalsContact O-N 3.15Å; A217-I219 PolarHBondContact O-N 2.78Å; A217-H220 PolarHBondContact O-N 3.36Å; A217-Y221 WeakPolarHBondContact O-CB 3.41Å; A217-Y221 PolarHBondContact O-N 3.42Å
218	T	39	Very low	42.7	Very low	71 Å²	71	93.1 Å²	93.1	44%	0.436	45%	0.453	S	S	.	.	H	α-helix	trans	-61.1	-44.9	174.8	-50.6	0	0	0	0	111.8	T214 H220 Y221 Q222	T214-T218 PolarHBondContact O-N 3.36Å; T214-T218 PolarHBondContact O-OG1 2.73Å; T218-H220 VanDerWaalsContact C-N 3.34Å; T218-H220 PolarHBondContact O-N 2.66Å; T218-Y221 PolarHBondContact O-N 3.32Å; T218-Q222 WeakPolarHBondContact O-CB 3.08Å; T218-Q222 WeakPolarHBondContact O-CG 3.34Å; T218-Q222 PolarHBondContact O-N 3.38Å
219	I	40.4	Very low	42.7	Very low	80 Å²	80	89.4 Å²	89.4	41%	0.41	44%	0.439	S	S	.	.	H	α-helix	trans	-63.2	-42.1	176.7	-69.5	164.9	0	0	0	110.8	K215 K216 A217 Q222 N223	K215-I219 HydrophobicContact CG-CD1 4.23Å; K215-I219 WeakPolarHBondContact O-CD1 3.29Å; K215-I219 VanDerWaalsContact O-CG1 3.24Å; K215-I219 WeakPolarHBondContact O-CG1 3.35Å; K215-I219 PolarHBondContact O-N 3.1Å; K216-I219 PolarHBondContact O-N 2.98Å; A217-I219 PolarHBondContact O-N 2.78Å; I219-Q222 PolarHBondContact O-N 2.99Å; I219-N223 VanDerWaalsContact O-CG 3.23Å; I219-N223 PolarHBondContact O-N 2.64Å; I219-N223 PolarHBondContact O-ND2 2.95Å
220	H	39.8	Very low	42.2	Very low	111 Å²	111	88.5 Å²	88.5	51%	0.514	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-49	178.1	-166	-32.5	0	0	0	111.1	K216 A217 T218 Q222 N223 T224	K216-H220 PolarHBondContact O-N 3.32Å; A217-H220 PolarHBondContact O-N 3.36Å; T218-H220 VanDerWaalsContact C-N 3.34Å; T218-H220 PolarHBondContact O-N 2.66Å; H220-Q222 VanDerWaalsContact C-N 3.32Å; H220-Q222 PolarHBondContact O-N 2.94Å; H220-N223 WeakPolarHBondContact O-CB 3.37Å; H220-N223 PolarHBondContact O-N 3.11Å; H220-N223 VanDerWaalsContact O-N 3.07Å; H220-T224 PolarHBondContact ND1-OG1 3.12Å; H220-T224 PolarHBondContact O-N 3.33Å; H220-T224 PolarHBondContact O-OG1 2.74Å
221	Y	38.4	Very low	42.4	Very low	141 Å²	141	86.4 Å²	86.4	55%	0.553	42%	0.417	S	S	*	.	H	α-helix	trans	-56.8	-45.6	176.6	177.9	-98.3	0	0	0	111.6	A217 T218 N223 T224 V225	A217-Y221 WeakPolarHBondContact O-CB 3.41Å; A217-Y221 PolarHBondContact O-N 3.42Å; T218-Y221 PolarHBondContact O-N 3.32Å; Y221-N223 VanDerWaalsContact C-N 3.3Å; Y221-N223 PolarHBondContact O-N 3.04Å; Y221-T224 PolarHBondContact O-N 2.98Å; Y221-V225 HydrophobicContact CD1-CG2 4.19Å; Y221-V225 HydrophobicContact CD2-CG2 4.33Å; Y221-V225 HydrophobicContact CE1-CG2 3.81Å; Y221-V225 HydrophobicContact CE2-CG2 3.97Å; Y221-V225 HydrophobicContact CG-CG2 4.44Å; Y221-V225 WeakPolarHBondContact O-CB 3.34Å; Y221-V225 VanDerWaalsContact O-CG2 3.31Å; Y221-V225 WeakPolarHBondContact O-CG2 3.45Å; Y221-V225 PolarHBondContact O-N 2.89Å
222	Q	41.4	Very low	42.5	Very low	117 Å²	117	83 Å²	83	55%	0.547	41%	0.41	S	S	.	.	H	α-helix	trans	-58.4	-41.2	174.9	-75.6	174.4	-4.3	0	0	111.9	T218 I219 H220 W226	T218-Q222 WeakPolarHBondContact O-CB 3.08Å; T218-Q222 WeakPolarHBondContact O-CG 3.34Å; T218-Q222 PolarHBondContact O-N 3.38Å; I219-Q222 PolarHBondContact O-N 2.99Å; H220-Q222 VanDerWaalsContact C-N 3.32Å; H220-Q222 PolarHBondContact O-N 2.94Å; Q222-W226 WeakPolarHBondContact O-CB 3.42Å; Q222-W226 PolarHBondContact O-N 3.46Å
223	N	42	Very low	42.3	Very low	94 Å²	94	79.1 Å²	79.1	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-41.1	176.9	-71.8	-26.2	0	0	0	112.8	I219 H220 Y221 W226 R227	I219-N223 VanDerWaalsContact O-CG 3.23Å; I219-N223 PolarHBondContact O-N 2.64Å; I219-N223 PolarHBondContact O-ND2 2.95Å; H220-N223 WeakPolarHBondContact O-CB 3.37Å; H220-N223 PolarHBondContact O-N 3.11Å; H220-N223 VanDerWaalsContact O-N 3.07Å; Y221-N223 VanDerWaalsContact C-N 3.3Å; Y221-N223 PolarHBondContact O-N 3.04Å; N223-W226 PolarHBondContact O-N 3.02Å; N223-R227 WeakPolarHBondContact O-CB 3.39Å; N223-R227 PolarHBondContact O-N 3.22Å
224	T	42.9	Very low	42.5	Very low	30 Å²	30	78.6 Å²	78.6	18%	0.184	38%	0.383	C	S	.	.	H	α-helix	trans	-67.4	-44.8	179.3	-24.7	0	0	0	0	111	H220 Y221 W226 R227 H228 N414	H220-T224 PolarHBondContact ND1-OG1 3.12Å; H220-T224 PolarHBondContact O-N 3.33Å; H220-T224 PolarHBondContact O-OG1 2.74Å; Y221-T224 PolarHBondContact O-N 2.98Å; T224-W226 VanDerWaalsContact C-N 3.34Å; T224-W226 PolarHBondContact O-N 3.35Å; T224-R227 PolarHBondContact O-N 3.35Å; T224-H228 PolarHBondContact O-N 2.97Å; T224-H228 VanDerWaalsContact O-N 3.1Å; T224-N414 WeakPolarHBondContact CG2-OD1 3.12Å
225	V	41.6	Very low	43	Very low	36 Å²	36	77.5 Å²	77.5	22%	0.218	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-43.5	174	173.1	0	0	0	0	110.4	Y221 R227 H228 R229	Y221-V225 HydrophobicContact CD1-CG2 4.19Å; Y221-V225 HydrophobicContact CD2-CG2 4.33Å; Y221-V225 HydrophobicContact CE1-CG2 3.81Å; Y221-V225 HydrophobicContact CE2-CG2 3.97Å; Y221-V225 HydrophobicContact CG-CG2 4.44Å; Y221-V225 WeakPolarHBondContact O-CB 3.34Å; Y221-V225 VanDerWaalsContact O-CG2 3.31Å; Y221-V225 WeakPolarHBondContact O-CG2 3.45Å; Y221-V225 PolarHBondContact O-N 2.89Å; V225-R227 PolarHBondContact O-N 3.07Å; V225-H228 PolarHBondContact O-N 2.86Å; V225-R229 HydrophobicContact CG1-CG 4.36Å; V225-R229 WeakPolarHBondContact O-CB 3.41Å; V225-R229 WeakPolarHBondContact O-CG 3.38Å; V225-R229 PolarHBondContact O-N 2.94Å
226	W	40.9	Very low	43	Very low	60 Å²	60	74.7 Å²	74.7	23%	0.227	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-42.5	177.7	-168.4	88.9	0	0	0	112.5	V51 F55 P161 Q222 N223 T224 R229 Y230	V51-W226 HydrophobicContact CG1-CG 4.4Å; F55-W226 AromaticContact CE2-NE1 3.93Å; F55-W226 AromaticContact CZ-CD1 3.72Å; F55-W226 AromaticContact CZ-NE1 3.94Å; P161-W226 HydrophobicContact CB-CH2 3.88Å; P161-W226 HydrophobicContact CB-CZ2 4.13Å; P161-W226 HydrophobicContact CB-CZ3 4.13Å; P161-W226 HydrophobicContact CG-CD2 4.19Å; P161-W226 HydrophobicContact CG-CE3 4.4Å; P161-W226 HydrophobicContact CG-CH2 3.94Å; P161-W226 HydrophobicContact CG-CZ2 3.69Å; P161-W226 HydrophobicContact CG-CZ3 4.27Å; Q222-W226 WeakPolarHBondContact O-CB 3.42Å; Q222-W226 PolarHBondContact O-N 3.46Å; N223-W226 PolarHBondContact O-N 3.02Å; T224-W226 VanDerWaalsContact C-N 3.34Å; T224-W226 PolarHBondContact O-N 3.35Å; W226-R229 PolarHBondContact O-N 3.39Å; W226-Y230 HydrophobicContact CH2-CD2 4.4Å; W226-Y230 WeakPolarHBondContact O-CB 3.42Å; W226-Y230 PolarHBondContact O-N 3.28Å
227	R	44	Very low	43.4	Very low	136 Å²	136	72.7 Å²	72.7	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-44.8	177.2	-173.3	173.5	-179.3	157.9	-4.1	112.1	N223 T224 V225 R229 Y230 L231 E406 Q410	N223-R227 WeakPolarHBondContact O-CB 3.39Å; N223-R227 PolarHBondContact O-N 3.22Å; T224-R227 PolarHBondContact O-N 3.35Å; V225-R227 PolarHBondContact O-N 3.07Å; R227-R229 VanDerWaalsContact C-N 3.29Å; R227-R229 PolarHBondContact O-N 2.8Å; R227-Y230 PolarHBondContact O-N 2.9Å; R227-L231 HydrophobicContact CG-CD1 4.35Å; R227-L231 WeakPolarHBondContact O-CG 3.26Å; R227-L231 PolarHBondContact O-N 2.98Å; R227-E406 IonicContact CZ-OE1 3.89Å; R227-E406 IonicContact NE-OE1 3.68Å; R227-E406 PolarHBondContact NE-OE1 2.89Å; R227-E406 IonicContact NH2-OE1 3.22Å; R227-E406 PolarHBondContact NH2-OE1 3.25Å; R227-Q410 VanDerWaalsContact NE-NE2 3.2Å
228	H	44.1	Very low	44.3	Very low	32 Å²	32	73.8 Å²	73.8	15%	0.148	35%	0.353	C	S	.	.	H	α-helix	trans	-57.7	-44.7	174.4	-102.6	-50.7	0	0	0	112.6	T224 V225 L231 A232 I407 Q410 R411 N414	T224-H228 PolarHBondContact O-N 2.97Å; T224-H228 VanDerWaalsContact O-N 3.1Å; V225-H228 PolarHBondContact O-N 2.86Å; H228-L231 PolarHBondContact O-N 3.48Å; H228-A232 PolarHBondContact O-N 3.37Å; H228-I407 PolarHBondContact CE1-O 3.44Å; H228-Q410 WeakPolarHBondContact CE1-CB 3.42Å; H228-Q410 PolarHBondContact ND1-OE1 3.35Å; H228-Q410 VanDerWaalsContact NE2-C 3.31Å; H228-Q410 WeakPolarHBondContact NE2-CB 3.19Å; H228-Q410 PolarHBondContact NE2-O 2.86Å; H228-R411 PolarHBondContact NE2-N 3.46Å; H228-N414 PolarHBondContact CD2-ND2 2.9Å; H228-N414 PolarHBondContact NE2-ND2 3.28Å
229	R	40.7	Very low	45.3	Very low	97 Å²	97	74.4 Å²	74.4	37%	0.366	35%	0.353	S	S	.	.	H	α-helix	trans	-66.7	-41.5	-178.7	-73.1	-179.7	170.4	-156.6	-0.6	112	Q54 V225 W226 R227 A232 C233	Q54-R229 PolarHBondContact O-NH1 2.93Å; V225-R229 HydrophobicContact CG1-CG 4.36Å; V225-R229 WeakPolarHBondContact O-CB 3.41Å; V225-R229 WeakPolarHBondContact O-CG 3.38Å; V225-R229 PolarHBondContact O-N 2.94Å; W226-R229 PolarHBondContact O-N 3.39Å; R227-R229 VanDerWaalsContact C-N 3.29Å; R227-R229 PolarHBondContact O-N 2.8Å; R229-A232 PolarHBondContact O-N 3.32Å; R229-C233 WeakPolarHBondContact O-CB 3.24Å; R229-C233 PolarHBondContact O-N 2.75Å
230	Y	42.9	Very low	46	Very low	114 Å²	114	73.7 Å²	73.7	45%	0.447	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-48.3	172.1	175.2	-98.2	0	0	0	111.8	V51 W226 R227 A232 C233 V234	V51-Y230 HydrophobicContact CG2-CD2 4.42Å; W226-Y230 HydrophobicContact CH2-CD2 4.4Å; W226-Y230 WeakPolarHBondContact O-CB 3.42Å; W226-Y230 PolarHBondContact O-N 3.28Å; R227-Y230 PolarHBondContact O-N 2.9Å; Y230-A232 PolarHBondContact O-N 3.18Å; Y230-C233 WeakPolarHBondContact O-CB 3.24Å; Y230-C233 PolarHBondContact O-N 3.22Å; Y230-V234 HydrophobicContact CD1-CG2 4.29Å; Y230-V234 HydrophobicContact CE1-CG2 3.87Å; Y230-V234 HydrophobicContact CE2-CG2 4.14Å; Y230-V234 WeakPolarHBondContact O-CG2 3.49Å; Y230-V234 PolarHBondContact O-N 2.98Å
231	L	46.9	Very low	47.2	Very low	13 Å²	13	71.6 Å²	71.6	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-41	178.5	-70	171.5	0	0	0	112.3	R227 H228 C233 V234 K235 V403 E406 I407	R227-L231 HydrophobicContact CG-CD1 4.35Å; R227-L231 WeakPolarHBondContact O-CG 3.26Å; R227-L231 PolarHBondContact O-N 2.98Å; H228-L231 PolarHBondContact O-N 3.48Å; L231-C233 VanDerWaalsContact C-N 3.35Å; L231-C233 PolarHBondContact O-N 2.98Å; L231-V234 PolarHBondContact O-N 2.97Å; L231-K235 PolarHBondContact O-N 3.45Å; L231-V403 HydrophobicContact CB-CG1 4.2Å; L231-V403 HydrophobicContact CD2-CG1 4.24Å; L231-E406 HydrophobicContact CD1-CG 4.01Å; L231-I407 HydrophobicContact CB-CD1 4.06Å; L231-I407 HydrophobicContact CB-CG1 3.92Å; L231-I407 HydrophobicContact CD1-CG1 4.28Å
232	A	45.7	Very low	48.6	Very low	47 Å²	47	66.5 Å²	66.5	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-39.2	175.5	0	0	0	0	0	112.6	H228 R229 Y230 K235 A236	H228-A232 PolarHBondContact O-N 3.37Å; R229-A232 PolarHBondContact O-N 3.32Å; Y230-A232 PolarHBondContact O-N 3.18Å; A232-K235 WeakPolarHBondContact O-CB 3.38Å; A232-K235 PolarHBondContact O-N 2.95Å; A232-A236 PolarHBondContact O-N 2.96Å
233	C	41.8	Very low	50	Low	14 Å²	14	67.7 Å²	67.7	10%	0.095	33%	0.333	C	S	.	.	H	α-helix	trans	-63.4	-47.2	174	152.6	0	0	0	0	112.2	P50 R229 Y230 L231 K235 A236 K237	P50-C233 HydrophobicContact CB-CB 3.91Å; P50-C233 WeakPolarHBondContact CB-SG 3.44Å; P50-C233 WeakPolarHBondContact CD-SG 3.39Å; P50-C233 HydrophobicContact CG-CB 4.33Å; P50-C233 WeakPolarHBondContact CG-SG 3.28Å; R229-C233 WeakPolarHBondContact O-CB 3.24Å; R229-C233 PolarHBondContact O-N 2.75Å; Y230-C233 WeakPolarHBondContact O-CB 3.24Å; Y230-C233 PolarHBondContact O-N 3.22Å; L231-C233 VanDerWaalsContact C-N 3.35Å; L231-C233 PolarHBondContact O-N 2.98Å; C233-K235 VanDerWaalsContact C-N 3.26Å; C233-K235 PolarHBondContact O-N 3.49Å; C233-A236 PolarHBondContact O-N 3.36Å; C233-K237 PolarHBondContact O-N 3.37Å
234	V	48.4	Very low	51.2	Low	40 Å²	40	67.2 Å²	67.2	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-59	-42.3	176.6	171.4	0	0	0	0	109.9	Y230 L231 K237 R238	Y230-V234 HydrophobicContact CD1-CG2 4.29Å; Y230-V234 HydrophobicContact CE1-CG2 3.87Å; Y230-V234 HydrophobicContact CE2-CG2 4.14Å; Y230-V234 WeakPolarHBondContact O-CG2 3.49Å; Y230-V234 PolarHBondContact O-N 2.98Å; L231-V234 PolarHBondContact O-N 2.97Å; V234-K237 PolarHBondContact O-N 3.11Å; V234-R238 HydrophobicContact CG1-CG 4.48Å; V234-R238 WeakPolarHBondContact O-CB 3.37Å; V234-R238 VanDerWaalsContact O-CG 3.28Å; V234-R238 WeakPolarHBondContact O-CG 3.49Å; V234-R238 PolarHBondContact O-N 3.07Å
235	K	51.4	Low	52.3	Low	58 Å²	58	69.6 Å²	69.6	25%	0.252	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-49.2	174.6	-172.2	-178.9	-176.3	176.9	0	112.1	L231 A232 C233 K237 R238 L239 V400 D404	L231-K235 PolarHBondContact O-N 3.45Å; A232-K235 WeakPolarHBondContact O-CB 3.38Å; A232-K235 PolarHBondContact O-N 2.95Å; C233-K235 VanDerWaalsContact C-N 3.26Å; C233-K235 PolarHBondContact O-N 3.49Å; K235-K237 PolarHBondContact O-N 3.02Å; K235-R238 PolarHBondContact O-N 3.48Å; K235-L239 HydrophobicContact CG-CD1 4.21Å; K235-L239 WeakPolarHBondContact O-CG 3.05Å; K235-L239 PolarHBondContact O-N 2.77Å; K235-V400 HydrophobicContact CG-CG1 4.43Å; K235-D404 VanDerWaalsContact CD-OD1 3.31Å; K235-D404 WeakPolarHBondContact CD-OD1 3.49Å; K235-D404 WeakPolarHBondContact CE-OD1 2.9Å; K235-D404 WeakPolarHBondContact CE-OD2 2.93Å; K235-D404 IonicContact NZ-OD1 2.8Å; K235-D404 PolarHBondContact NZ-OD1 2.97Å; K235-D404 IonicContact NZ-OD2 3.04Å; K235-D404 PolarHBondContact NZ-OD2 3.36Å
236	A	47.7	Very low	53.8	Low	58 Å²	58	74.4 Å²	74.4	48%	0.479	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-42	179.4	0	0	0	0	0	112.5	A232 C233 R238 L239 S240	A232-A236 PolarHBondContact O-N 2.96Å; C233-A236 PolarHBondContact O-N 3.36Å; A236-R238 PolarHBondContact O-N 3.24Å; A236-L239 PolarHBondContact O-N 2.89Å; A236-S240 WeakPolarHBondContact O-CB 3.16Å; A236-S240 PolarHBondContact O-N 2.83Å
237	K	53.6	Low	55.3	Low	119 Å²	119	74.9 Å²	74.9	52%	0.517	38%	0.376	S	S	.	.	H	α-helix	trans	-63	-42.3	176.5	-172.6	173	-177.5	172.4	0	111.8	C233 V234 K235 S240 Q241	C233-K237 PolarHBondContact O-N 3.37Å; V234-K237 PolarHBondContact O-N 3.11Å; K235-K237 PolarHBondContact O-N 3.02Å; K237-S240 PolarHBondContact O-N 3.5Å; K237-Q241 VanDerWaalsContact O-CG 3.29Å; K237-Q241 WeakPolarHBondContact O-CG 3.38Å; K237-Q241 PolarHBondContact O-N 2.67Å
238	R	55.7	Low	56.6	Low	82 Å²	82	74.6 Å²	74.6	31%	0.309	38%	0.378	S	S	.	.	H	α-helix	trans	-64.6	-41.2	175.9	-70.9	-66.6	-169.8	-168.5	5.7	112	V234 K235 A236 Q241 L242 V400	V234-R238 HydrophobicContact CG1-CG 4.48Å; V234-R238 WeakPolarHBondContact O-CB 3.37Å; V234-R238 VanDerWaalsContact O-CG 3.28Å; V234-R238 WeakPolarHBondContact O-CG 3.49Å; V234-R238 PolarHBondContact O-N 3.07Å; K235-R238 PolarHBondContact O-N 3.48Å; A236-R238 PolarHBondContact O-N 3.24Å; R238-Q241 PolarHBondContact O-N 2.79Å; R238-L242 WeakPolarHBondContact O-CB 3.14Å; R238-L242 PolarHBondContact O-N 3.42Å; R238-V400 HydrophobicContact CB-CG2 4.07Å
239	L	60.2	Low	57.8	Low	84 Å²	84	77.7 Å²	77.7	44%	0.44	39%	0.392	S	S	.	.	H	α-helix	trans	-63.1	-45	175.6	-71.8	171.7	0	0	0	112.1	K235 A236 Q241 L242 E243	K235-L239 HydrophobicContact CG-CD1 4.21Å; K235-L239 WeakPolarHBondContact O-CG 3.05Å; K235-L239 PolarHBondContact O-N 2.77Å; A236-L239 PolarHBondContact O-N 2.89Å; L239-Q241 PolarHBondContact O-N 2.7Å; L239-L242 WeakPolarHBondContact O-CB 3.13Å; L239-L242 PolarHBondContact O-N 2.56Å; L239-L242 VanDerWaalsContact O-N 3.16Å; L239-E243 PolarHBondContact O-N 3.22Å
240	S	56.5	Low	59.4	Low	64 Å²	64	79.2 Å²	79.2	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-43.7	174.7	153.3	0	0	0	0	112.5	A236 K237 L242 E243 T244	A236-S240 WeakPolarHBondContact O-CB 3.16Å; A236-S240 PolarHBondContact O-N 2.83Å; K237-S240 PolarHBondContact O-N 3.5Å; S240-L242 VanDerWaalsContact C-N 3.28Å; S240-L242 PolarHBondContact O-N 3.4Å; S240-E243 PolarHBondContact O-N 2.68Å; S240-T244 PolarHBondContact O-N 2.71Å; S240-T244 PolarHBondContact O-OG1 3.45Å
241	Q	63.9	Low	60.7	Low	67 Å²	67	80.8 Å²	80.8	31%	0.313	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-41.1	174.9	-75	174.5	-15.8	0	0	111.1	K237 R238 L239 T244 L245	K237-Q241 VanDerWaalsContact O-CG 3.29Å; K237-Q241 WeakPolarHBondContact O-CG 3.38Å; K237-Q241 PolarHBondContact O-N 2.67Å; R238-Q241 PolarHBondContact O-N 2.79Å; L239-Q241 PolarHBondContact O-N 2.7Å; Q241-T244 PolarHBondContact O-N 2.94Å; Q241-L245 WeakPolarHBondContact O-CG 3.35Å; Q241-L245 PolarHBondContact O-N 2.72Å
242	L	68.2	Low	61.7	Low	35 Å²	35	83.2 Å²	83.2	18%	0.183	42%	0.42	C	S	.	.	H	α-helix	trans	-67.4	-38.8	179.6	-162.4	145	0	0	0	112.2	R238 L239 S240 L245 K246 L393	R238-L242 WeakPolarHBondContact O-CB 3.14Å; R238-L242 PolarHBondContact O-N 3.42Å; L239-L242 WeakPolarHBondContact O-CB 3.13Å; L239-L242 PolarHBondContact O-N 2.56Å; L239-L242 VanDerWaalsContact O-N 3.16Å; S240-L242 VanDerWaalsContact C-N 3.28Å; S240-L242 PolarHBondContact O-N 3.4Å; L242-L245 PolarHBondContact O-N 2.94Å; L242-K246 HydrophobicContact CD2-CD 3.93Å; L242-K246 VanDerWaalsContact CD2-CE 3.44Å; L242-K246 HydrophobicContact CD2-CG 4.43Å; L242-K246 WeakPolarHBondContact O-CG 3.4Å; L242-K246 PolarHBondContact O-N 3.45Å; L242-L393 HydrophobicContact CD1-CD2 4.17Å; L242-L393 HydrophobicContact CG-CD2 4.12Å
243	E	69.8	Low	62.6	Low	141 Å²	141	86 Å²	86	66%	0.659	43%	0.425	S	S	*	.	H	α-helix	trans	-65.6	-39.6	171.9	-75.2	-178.2	166	0	0	112.7	L239 S240 L245 K246 S247	L239-E243 PolarHBondContact O-N 3.22Å; S240-E243 PolarHBondContact O-N 2.68Å; E243-L245 VanDerWaalsContact C-N 3.35Å; E243-K246 PolarHBondContact O-N 3.5Å; E243-S247 PolarHBondContact O-N 3.39Å; E243-S247 PolarHBondContact O-OG 3Å
244	T	67.5	Low	64	Low	84 Å²	84	90.5 Å²	90.5	52%	0.515	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-39.5	176.5	-48.1	0	0	0	0	111.3	S240 Q241 S247 K248	S240-T244 PolarHBondContact O-N 2.71Å; S240-T244 PolarHBondContact O-OG1 3.45Å; Q241-T244 PolarHBondContact O-N 2.94Å; T244-S247 WeakPolarHBondContact CA-OG 3.35Å; T244-S247 PolarHBondContact O-OG 3.33Å; T244-K248 WeakPolarHBondContact O-CB 3.48Å; T244-K248 PolarHBondContact O-N 3.46Å
245	L	67.5	Low	64.9	Low	81 Å²	81	91.3 Å²	91.3	42%	0.424	45%	0.445	S	S	.	.	H	α-helix	trans	-68.4	-39.1	175	-71.5	171.2	0	0	0	112.1	Q241 L242 E243 K248 K249 M396	Q241-L245 WeakPolarHBondContact O-CG 3.35Å; Q241-L245 PolarHBondContact O-N 2.72Å; L242-L245 PolarHBondContact O-N 2.94Å; E243-L245 VanDerWaalsContact C-N 3.35Å; L245-K248 PolarHBondContact O-N 3.16Å; L245-K249 WeakPolarHBondContact O-CB 3.5Å; L245-K249 PolarHBondContact O-N 3.43Å; L245-M396 HydrophobicContact CD1-CE 3.9Å
246	K	72.8	Confident	65.4	Low	136 Å²	136	91.5 Å²	91.5	59%	0.591	45%	0.449	S	S	*	.	H	α-helix	trans	-63.1	-44	174.7	-80.1	178.6	175	174	0	112.4	L242 E243 K249 K250	L242-K246 HydrophobicContact CD2-CD 3.93Å; L242-K246 VanDerWaalsContact CD2-CE 3.44Å; L242-K246 HydrophobicContact CD2-CG 4.43Å; L242-K246 WeakPolarHBondContact O-CG 3.4Å; L242-K246 PolarHBondContact O-N 3.45Å; E243-K246 PolarHBondContact O-N 3.5Å; K246-K249 WeakPolarHBondContact O-CB 3.42Å; K246-K249 PolarHBondContact O-N 2.96Å; K246-K250 PolarHBondContact O-N 3.32Å; K246-K250 VanDerWaalsContact O-N 3.07Å
247	S	72.1	Confident	66.2	Low	71 Å²	71	98 Å²	98	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-66.3	-41.7	176.7	49.1	0	0	0	0	111.8	E243 T244 K249 K250 Y251	E243-S247 PolarHBondContact O-N 3.39Å; E243-S247 PolarHBondContact O-OG 3Å; T244-S247 WeakPolarHBondContact CA-OG 3.35Å; T244-S247 PolarHBondContact O-OG 3.33Å; S247-K249 VanDerWaalsContact C-N 3.35Å; S247-K249 PolarHBondContact O-N 2.98Å; S247-K250 PolarHBondContact O-N 3.48Å; S247-Y251 PolarHBondContact O-N 3.3Å
248	K	71.5	Confident	66.6	Low	130 Å²	130	98.8 Å²	98.8	57%	0.565	47%	0.466	S	S	*	.	H	α-helix	trans	-61.8	-40.2	173.4	-168.1	174.7	-176.8	-177.6	0	112.5	T244 L245 K250 Y251 L252	T244-K248 WeakPolarHBondContact O-CB 3.48Å; T244-K248 PolarHBondContact O-N 3.46Å; L245-K248 PolarHBondContact O-N 3.16Å; K248-K250 VanDerWaalsContact C-N 3.34Å; K248-K250 PolarHBondContact O-N 3.47Å; K248-Y251 PolarHBondContact O-N 3.33Å; K248-L252 HydrophobicContact CG-CD1 4.19Å; K248-L252 WeakPolarHBondContact O-CG 3.45Å; K248-L252 PolarHBondContact O-N 3.49Å
249	K	69.8	Low	67.1	Low	97 Å²	97	100.4 Å²	100.4	42%	0.422	48%	0.475	S	S	.	.	H	α-helix	trans	-57.4	-46.1	172.3	164.1	166.2	-163.9	178.9	0	111.5	L245 K246 S247 Q253 W386	L245-K249 WeakPolarHBondContact O-CB 3.5Å; L245-K249 PolarHBondContact O-N 3.43Å; K246-K249 WeakPolarHBondContact O-CB 3.42Å; K246-K249 PolarHBondContact O-N 2.96Å; S247-K249 VanDerWaalsContact C-N 3.35Å; S247-K249 PolarHBondContact O-N 2.98Å; K249-Q253 VanDerWaalsContact O-CG 3.31Å; K249-Q253 WeakPolarHBondContact O-CG 3.44Å; K249-Q253 PolarHBondContact O-N 2.86Å; K249-W386 HydrophobicContact CB-CH2 3.91Å; K249-W386 HydrophobicContact CB-CZ3 4.36Å; K249-W386 HydrophobicContact CD-CH2 3.77Å; K249-W386 HydrophobicContact CD-CZ3 3.7Å; K249-W386 HydrophobicContact CG-CH2 3.56Å; K249-W386 HydrophobicContact CG-CZ3 4.03Å
250	K	74.2	Confident	66.7	Low	129 Å²	129	100.7 Å²	100.7	56%	0.561	48%	0.476	S	S	*	.	H	α-helix	trans	-65.7	-43.8	179.5	-166.3	-177.2	175.3	-169.5	0	112	K246 S247 K248 Q253 E254	K246-K250 PolarHBondContact O-N 3.32Å; K246-K250 VanDerWaalsContact O-N 3.07Å; S247-K250 PolarHBondContact O-N 3.48Å; K248-K250 VanDerWaalsContact C-N 3.34Å; K248-K250 PolarHBondContact O-N 3.47Å; K250-Q253 WeakPolarHBondContact O-CB 3.29Å; K250-Q253 PolarHBondContact O-N 3Å; K250-E254 WeakPolarHBondContact CE-OE1 3.39Å; K250-E254 PolarHBondContact O-N 3.29Å
251	Y	70	Confident	66.5	Low	147 Å²	147	100.3 Å²	100.3	58%	0.576	47%	0.474	S	S	*	.	H	α-helix	trans	-59.5	-46.7	176.2	177.6	-91.4	0	0	0	112.2	S247 K248 Q253 E254 E255	S247-Y251 PolarHBondContact O-N 3.3Å; K248-Y251 PolarHBondContact O-N 3.33Å; Y251-Q253 VanDerWaalsContact C-N 3.33Å; Y251-Q253 PolarHBondContact O-N 3Å; Y251-E254 PolarHBondContact O-N 3.43Å; Y251-E255 WeakPolarHBondContact CE1-OE2 3.45Å; Y251-E255 PolarHBondContact O-N 2.64Å
252	L	66.7	Low	65.7	Low	64 Å²	64	100.6 Å²	100.6	34%	0.335	48%	0.48	S	S	.	.	H	α-helix	trans	-65.4	-36.2	177.8	-70.9	169.6	0	0	0	112.2	K248 E254 E255 I256	K248-L252 HydrophobicContact CG-CD1 4.19Å; K248-L252 WeakPolarHBondContact O-CG 3.45Å; K248-L252 PolarHBondContact O-N 3.49Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-E254 PolarHBondContact O-N 3.42Å; L252-E255 PolarHBondContact O-N 2.96Å; L252-I256 WeakPolarHBondContact O-CB 3.36Å; L252-I256 VanDerWaalsContact O-CG1 3.22Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 2.86Å
253	Q	65.8	Low	64.9	Low	105 Å²	105	104.6 Å²	104.6	49%	0.491	50%	0.498	S	S	.	.	H	α-helix	trans	-63.1	-38.5	173.4	-76.7	179.3	-31.8	0	0	112.3	K249 K250 Y251 R257	K249-Q253 VanDerWaalsContact O-CG 3.31Å; K249-Q253 WeakPolarHBondContact O-CG 3.44Å; K249-Q253 PolarHBondContact O-N 2.86Å; K250-Q253 WeakPolarHBondContact O-CB 3.29Å; K250-Q253 PolarHBondContact O-N 3Å; Y251-Q253 VanDerWaalsContact C-N 3.33Å; Y251-Q253 PolarHBondContact O-N 3Å; Q253-R257 WeakPolarHBondContact O-CB 3.33Å; Q253-R257 PolarHBondContact O-N 3.48Å; Q253-R257 VanDerWaalsContact O-N 3.13Å
254	E	70.3	Confident	63.8	Low	109 Å²	109	101.8 Å²	101.8	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-69.1	-43.1	174.7	-74.7	169.7	-172.1	0	0	111.4	K250 Y251 L252 R257 E258	K250-E254 WeakPolarHBondContact CE-OE1 3.39Å; K250-E254 PolarHBondContact O-N 3.29Å; Y251-E254 PolarHBondContact O-N 3.43Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-E254 PolarHBondContact O-N 3.42Å; E254-R257 WeakPolarHBondContact O-CB 3.28Å; E254-R257 PolarHBondContact O-N 3.38Å; E254-E258 PolarHBondContact O-N 2.84Å
255	E	68.4	Low	62.8	Low	56 Å²	56	103.5 Å²	103.5	26%	0.262	49%	0.492	S	S	.	.	H	α-helix	trans	-63.2	-42.3	177.2	-168.7	-172.8	158.9	0	0	112.5	Y251 L252 E258 K259	Y251-E255 WeakPolarHBondContact CE1-OE2 3.45Å; Y251-E255 PolarHBondContact O-N 2.64Å; L252-E255 PolarHBondContact O-N 2.96Å; E255-E258 PolarHBondContact O-N 3.34Å; E255-K259 HydrophobicContact CG-CD 4.38Å; E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 PolarHBondContact O-N 2.94Å; E255-K259 WeakPolarHBondContact OE1-CE 3.46Å; E255-K259 IonicContact OE1-NZ 3.85Å; E255-K259 PolarHBondContact OE1-NZ 3.25Å
256	I	61.8	Low	61.9	Low	63 Å²	63	104.3 Å²	104.3	32%	0.323	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-44	175	-70.4	166.2	0	0	0	110.1	L252 E258 K259 I260	L252-I256 WeakPolarHBondContact O-CB 3.36Å; L252-I256 VanDerWaalsContact O-CG1 3.22Å; L252-I256 WeakPolarHBondContact O-CG1 3.26Å; L252-I256 PolarHBondContact O-N 2.86Å; I256-E258 VanDerWaalsContact C-N 3.3Å; I256-E258 PolarHBondContact O-N 3.42Å; I256-K259 PolarHBondContact O-N 3.39Å; I256-I260 HydrophobicContact CG2-CD1 3.57Å; I256-I260 HydrophobicContact CG2-CG1 4.26Å; I256-I260 WeakPolarHBondContact O-CB 3.1Å; I256-I260 VanDerWaalsContact O-CG1 3.26Å; I256-I260 WeakPolarHBondContact O-CG1 2.95Å; I256-I260 PolarHBondContact O-N 3.33Å
257	R	64.6	Low	60.6	Low	193 Å²	193	100.4 Å²	100.4	73%	0.728	49%	0.49	S	S	*	.	H	α-helix	trans	-60.3	-42.2	177.5	-171.1	-176.4	-118.2	-155.2	-2	111	Q253 E254 S261	Q253-R257 WeakPolarHBondContact O-CB 3.33Å; Q253-R257 PolarHBondContact O-N 3.48Å; Q253-R257 VanDerWaalsContact O-N 3.13Å; E254-R257 WeakPolarHBondContact O-CB 3.28Å; E254-R257 PolarHBondContact O-N 3.38Å; R257-S261 WeakPolarHBondContact O-CB 3.34Å; R257-S261 PolarHBondContact O-N 2.87Å; R257-S261 PolarHBondContact O-OG 3.43Å
258	E	62	Low	59.1	Low	136 Å²	136	104 Å²	104	64%	0.636	50%	0.503	S	S	*	.	H	α-helix	trans	-68.6	-47	178.7	-164.5	171.6	-164.6	0	0	112	E254 E255 I256 I260 S261 V262	E254-E258 PolarHBondContact O-N 2.84Å; E255-E258 PolarHBondContact O-N 3.34Å; I256-E258 VanDerWaalsContact C-N 3.3Å; I256-E258 PolarHBondContact O-N 3.42Å; E258-I260 PolarHBondContact O-N 2.83Å; E258-S261 WeakPolarHBondContact O-CB 3.3Å; E258-S261 PolarHBondContact O-N 3.3Å; E258-S261 VanDerWaalsContact O-N 3.16Å; E258-V262 WeakPolarHBondContact O-CG2 3.15Å; E258-V262 PolarHBondContact O-N 3.41Å
259	K	64.5	Low	57.7	Low	116 Å²	116	100.7 Å²	100.7	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-60.5	-43.7	176.6	-80	176.9	171.6	165.5	0	112.8	E255 I256 S261 V262 Q263	E255-K259 HydrophobicContact CG-CD 4.38Å; E255-K259 WeakPolarHBondContact O-CB 3.25Å; E255-K259 PolarHBondContact O-N 2.94Å; E255-K259 WeakPolarHBondContact OE1-CE 3.46Å; E255-K259 IonicContact OE1-NZ 3.85Å; E255-K259 PolarHBondContact OE1-NZ 3.25Å; I256-K259 PolarHBondContact O-N 3.39Å; K259-S261 VanDerWaalsContact C-N 3.33Å; K259-V262 PolarHBondContact O-N 3.11Å; K259-Q263 WeakPolarHBondContact O-CB 3.04Å; K259-Q263 WeakPolarHBondContact O-CG 3.42Å; K259-Q263 PolarHBondContact O-N 2.77Å
260	I	52.5	Low	56.3	Low	90 Å²	90	101.8 Å²	101.8	46%	0.462	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.6	-70.6	172.8	0	0	0	110.3	I256 E258 L264	I256-I260 HydrophobicContact CG2-CD1 3.57Å; I256-I260 HydrophobicContact CG2-CG1 4.26Å; I256-I260 WeakPolarHBondContact O-CB 3.1Å; I256-I260 VanDerWaalsContact O-CG1 3.26Å; I256-I260 WeakPolarHBondContact O-CG1 2.95Å; I256-I260 PolarHBondContact O-N 3.33Å; E258-I260 PolarHBondContact O-N 2.83Å; I260-L264 HydrophobicContact CG2-CD1 3.69Å; I260-L264 VanDerWaalsContact O-CB 3.29Å; I260-L264 WeakPolarHBondContact O-CB 3Å; I260-L264 PolarHBondContact O-N 2.88Å
261	S	52.2	Low	54.8	Low	57 Å²	57	100.6 Å²	100.6	40%	0.399	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-45.2	179	-55.8	0	0	0	0	111.9	R257 E258 K259 L265	R257-S261 WeakPolarHBondContact O-CB 3.34Å; R257-S261 PolarHBondContact O-N 2.87Å; R257-S261 PolarHBondContact O-OG 3.43Å; E258-S261 WeakPolarHBondContact O-CB 3.3Å; E258-S261 PolarHBondContact O-N 3.3Å; E258-S261 VanDerWaalsContact O-N 3.16Å; K259-S261 VanDerWaalsContact C-N 3.33Å; S261-L265 WeakPolarHBondContact O-CB 3.38Å; S261-L265 WeakPolarHBondContact O-CD1 3.17Å; S261-L265 PolarHBondContact O-N 3.18Å; S261-L265 VanDerWaalsContact O-N 3.08Å
262	V	47.3	Very low	53.8	Low	73 Å²	73	99.2 Å²	99.2	44%	0.442	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-44.2	179.3	174.5	0	0	0	0	111.3	E258 K259 L264 L265 D266	E258-V262 WeakPolarHBondContact O-CG2 3.15Å; E258-V262 PolarHBondContact O-N 3.41Å; K259-V262 PolarHBondContact O-N 3.11Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 2.97Å; V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 3.07Å; V262-L265 VanDerWaalsContact O-N 3.14Å; V262-D266 PolarHBondContact O-N 2.89Å
263	Q	51.5	Low	52.4	Low	119 Å²	119	106.4 Å²	106.4	56%	0.556	55%	0.546	S	S	*	.	H	α-helix	trans	-67	-34.1	178	-74.4	-178.4	-10.7	0	0	112.7	K259 A267	K259-Q263 WeakPolarHBondContact O-CB 3.04Å; K259-Q263 WeakPolarHBondContact O-CG 3.42Å; K259-Q263 PolarHBondContact O-N 2.77Å; Q263-A267 WeakPolarHBondContact O-CB 3.39Å; Q263-A267 PolarHBondContact O-N 3.41Å
264	L	46.3	Very low	51.1	Low	82 Å²	82	104.4 Å²	104.4	43%	0.429	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-41.8	169.8	-93.3	153.2	0	0	0	111.5	I260 V262 L268	I260-L264 HydrophobicContact CG2-CD1 3.69Å; I260-L264 VanDerWaalsContact O-CB 3.29Å; I260-L264 WeakPolarHBondContact O-CB 3Å; I260-L264 PolarHBondContact O-N 2.88Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 2.97Å; L264-L268 WeakPolarHBondContact O-CB 3.13Å; L264-L268 WeakPolarHBondContact O-CD1 3.06Å; L264-L268 WeakPolarHBondContact O-CG 3.05Å; L264-L268 PolarHBondContact O-N 3.2Å
265	L	46.1	Very low	49.5	Very low	120 Å²	120	105.7 Å²	105.7	63%	0.628	57%	0.569	S	S	*	*	H	α-helix	trans	-67.4	-38.9	176.4	-89.3	153	0	0	0	113	S261 V262 S269	S261-L265 WeakPolarHBondContact O-CB 3.38Å; S261-L265 WeakPolarHBondContact O-CD1 3.17Å; S261-L265 PolarHBondContact O-N 3.18Å; S261-L265 VanDerWaalsContact O-N 3.08Å; V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 3.07Å; V262-L265 VanDerWaalsContact O-N 3.14Å; L265-S269 WeakPolarHBondContact O-CB 3.23Å; L265-S269 PolarHBondContact O-N 2.98Å; L265-S269 PolarHBondContact O-OG 3.39Å
266	D	50.4	Low	47.8	Very low	97 Å²	97	110.4 Å²	110.4	52%	0.519	60%	0.596	S	S	.	*	H	α-helix	trans	-71.1	-41.4	176.3	-86.8	-5	0	0	0	112.1	V262 L268 S269 H270	V262-D266 PolarHBondContact O-N 2.89Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.1Å; D266-S269 WeakPolarHBondContact CA-OG 3.4Å; D266-S269 PolarHBondContact O-N 3.08Å; D266-S269 PolarHBondContact O-OG 3.41Å; D266-H270 PolarHBondContact O-N 2.98Å; D266-H270 VanDerWaalsContact O-N 3.1Å
267	A	45.1	Very low	46.5	Very low	55 Å²	55	115 Å²	115	46%	0.455	62%	0.619	S	S	.	*	H	α-helix	trans	-66.1	-34.8	176.5	0	0	0	0	0	112.3	Q263 S269	Q263-A267 WeakPolarHBondContact O-CB 3.39Å; Q263-A267 PolarHBondContact O-N 3.41Å; A267-S269 VanDerWaalsContact C-N 3.33Å
268	L	40.6	Very low	45.2	Very low	145 Å²	145	112.6 Å²	112.6	76%	0.759	62%	0.62	S	S	*	*	H	α-helix	trans	-73	-23.1	175.2	-74.2	169.2	0	0	0	113.3	L264 D266	L264-L268 WeakPolarHBondContact O-CB 3.13Å; L264-L268 WeakPolarHBondContact O-CD1 3.06Å; L264-L268 WeakPolarHBondContact O-CG 3.05Å; L264-L268 PolarHBondContact O-N 3.2Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.1Å
269	S	41.2	Very low	43.7	Very low	61 Å²	61	109.8 Å²	109.8	43%	0.427	62%	0.62	S	S	.	*	H	α-helix	trans	-94.6	-21.3	-177.6	54.2	0	0	0	0	113.8	L265 D266 A267	L265-S269 WeakPolarHBondContact O-CB 3.23Å; L265-S269 PolarHBondContact O-N 2.98Å; L265-S269 PolarHBondContact O-OG 3.39Å; D266-S269 WeakPolarHBondContact CA-OG 3.4Å; D266-S269 PolarHBondContact O-N 3.08Å; D266-S269 PolarHBondContact O-OG 3.41Å; A267-S269 VanDerWaalsContact C-N 3.33Å
270	H	41.3	Very low	42.1	Very low	120 Å²	120	111.5 Å²	111.5	56%	0.556	64%	0.635	S	S	*	*			trans	-139	82.7	-175.6	-64.5	-32.6	0	0	0	114.2	D266 P272	D266-H270 PolarHBondContact O-N 2.98Å; D266-H270 VanDerWaalsContact O-N 3.1Å; H270-P272 WeakPolarHBondContact O-CD 3.45Å
271	P	42.9	Very low	41.3	Very low	104 Å²	104	116.1 Å²	116.1	68%	0.675	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-69.6	121.3	169.9	26.4	-31.4	0	0	0	110.8
272	P	47.5	Very low	40.4	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-76	131.2	-178.1	27.1	-30.7	0	0	0	112.5	H270	H270-P272 WeakPolarHBondContact O-CD 3.45Å
273	K	37.6	Very low	39.5	Very low	214 Å²	214	128.7 Å²	128.7	93%	0.93	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-82.8	125.1	172.5	-75.1	177.4	176.3	177.1	0	110.8
274	G	38.4	Very low	38.7	Very low	64 Å²	64	127.6 Å²	127.6	66%	0.66	70%	0.702	S	S	*	*			trans	116.4	131.7	145.1	0	0	0	0	0	118.2
275	T	37.1	Very low	38.1	Very low	136 Å²	136	131.3 Å²	131.3	83%	0.834	72%	0.722	S	S	*	*			trans	92.6	95.3	147.8	60.1	0	0	0	0	120.7
276	N	32.9	Very low	37.5	Very low	155 Å²	155	134.6 Å²	134.6	83%	0.829	73%	0.734	S	S	*	*				27.5	114.8	124.4	-59.5	-13.1	0	0	0	118.8
277	M	34.4	Very low	36.6	Very low	160 Å²	160	135.5 Å²	135.5	79%	0.788	75%	0.745	S	S	*	*				-173.8	156.3	105.5	-99.7	-164.8	165.9	0	0	113.5
278	D	36.8	Very low	35.9	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	76%	0.762	S	S	*	*			trans	-47.8	129.7	-170.8	-60.8	-60.5	0	0	0	115.4
279	A	30.5	Very low	35.5	Very low	78 Å²	78	141 Å²	141	65%	0.645	77%	0.77	S	S	*	*				83.5	126.1	72.4	0	0	0	0	0	113.6
280	D	32.2	Very low	35	Very low	152 Å²	152	147.1 Å²	147.1	81%	0.813	80%	0.797	S	S	*	*			trans	75.3	90.9	162.5	-61	-22.5	0	0	0	119.6
281	Q	34.6	Very low	34.6	Very low	186 Å²	186	144.8 Å²	144.8	87%	0.869	81%	0.806	S	S	*	*				-170.1	103.6	111.1	-101.2	167.5	29.9	0	0	113.9
282	R	33.5	Very low	34	Very low	233 Å²	233	144 Å²	144	88%	0.879	81%	0.808	S	S	*	*			trans	56.8	101.3	133.1	-67.9	-177.1	174.4	177.2	-1.6	120.2
283	L	29.6	Very low	33.3	Very low	161 Å²	161	147 Å²	147	84%	0.843	82%	0.817	S	S	*	*			trans	-44.3	126.9	135	-68.3	149.2	0	0	0	112.4
284	S	32.7	Very low	32.9	Very low	96 Å²	96	140.1 Å²	140.1	67%	0.671	81%	0.806	S	S	*	*			trans	177.6	109.2	131.9	51.1	0	0	0	0	112.2
285	N	35.7	Very low	32.8	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	82%	0.819	S	S	*	*				147.9	123.5	123.1	-74.2	-22.9	0	0	0	113.8
286	E	33	Very low	32.4	Very low	190 Å²	190	152.6 Å²	152.6	89%	0.888	82%	0.824	S	S	*	*			trans	-69.9	168	178.3	-101.6	-171.9	153.8	0	0	114.7
287	P	32.1	Very low	32.5	Very low	115 Å²	115	154.6 Å²	154.6	75%	0.747	83%	0.826	S	S	*	*			trans	-94.6	144.8	-158.1	36.9	-33.4	0	0	0	113.9
288	S	30.2	Very low	32.4	Very low	116 Å²	116	156.8 Å²	156.8	81%	0.811	83%	0.831	S	S	*	*			trans	-158	99.2	166.1	-86.6	0	0	0	0	109.3
289	E	32.2	Very low	32.2	Very low	199 Å²	199	155.9 Å²	155.9	93%	0.93	83%	0.825	S	S	*	*			trans	-168.2	58	159.9	-109.5	170.4	-147.7	0	0	111.8
290	L	30.8	Very low	32.3	Very low	190 Å²	190	158 Å²	158	100%	0.995	83%	0.83	S	S	*	*			trans	-94.4	74.1	158.7	-100.9	153.7	0	0	0	107.6
291	G	31	Very low	32.6	Very low	71 Å²	71	158.2 Å²	158.2	73%	0.732	83%	0.831	S	S	*	*			trans	-168.1	23.8	-167.6	0	0	0	0	0	117
292	A	31.7	Very low	32.7	Very low	88 Å²	88	156.4 Å²	156.4	73%	0.727	82%	0.823	S	S	*	*			trans	-159.7	121.2	170.7	0	0	0	0	0	110.7
293	L	32.7	Very low	32.9	Very low	182 Å²	182	151 Å²	151	95%	0.953	81%	0.81	S	S	*	*			trans	162.7	59.1	137	-82.5	164	0	0	0	110.4
294	G	28.3	Very low	33.5	Very low	69 Å²	69	150.3 Å²	150.3	71%	0.711	80%	0.803	S	S	*	*			trans	-78.1	118	146.3	0	0	0	0	0	108.7
295	K	37.4	Very low	33.9	Very low	213 Å²	213	152.7 Å²	152.7	93%	0.926	81%	0.808	S	S	*	*			trans	175.5	130.5	139.9	-94	161.7	-167.6	-177.7	0	111.7
296	R	28.6	Very low	34.1	Very low	249 Å²	249	150 Å²	150	94%	0.94	80%	0.797	S	S	*	*			trans	-46.9	141.7	179	-66.2	166.5	175.9	172.7	-1.6	114.9
297	K	34.4	Very low	34.3	Very low	198 Å²	198	147.3 Å²	147.3	86%	0.861	79%	0.785	S	S	*	*			trans	-142.4	125.3	143.6	-124.4	175.5	-177.4	177.4	0	110.1	L299	K297-L299 PolarHBondContact O-N 3.36Å
298	K	31.8	Very low	34.4	Very low	205 Å²	205	144.6 Å²	144.6	89%	0.891	78%	0.777	S	S	*	*			trans	-61.9	116.1	177	-76.9	176.1	172.4	179.2	0	109.5
299	L	33	Very low	34.6	Very low	123 Å²	123	147 Å²	147	64%	0.644	78%	0.776	S	S	*	*			trans	-110.9	79.4	171.3	-84.1	157.6	0	0	0	108.1	K297 H302	K297-L299 PolarHBondContact O-N 3.36Å; L299-H302 HydrophobicContact CD2-CB 3.99Å
300	T	33.9	Very low	34.7	Very low	121 Å²	121	140.9 Å²	140.9	74%	0.742	76%	0.759	S	S	*	*	S	Bend	trans	-109.9	4.2	171.2	40.9	0	0	0	0	113.7
301	D	37.8	Very low	34.9	Very low	157 Å²	157	140.2 Å²	140.2	84%	0.84	75%	0.749	S	S	*	*	S	Bend	trans	-126.5	7.1	-174.7	-66.3	-41.1	0	0	0	115.1
302	H	37.2	Very low	35.1	Very low	149 Å²	149	147.8 Å²	147.8	69%	0.69	76%	0.755	S	S	*	*	S	Bend	trans	-114.7	4.2	-172.5	-99.9	-30.5	0	0	0	117.5	L299	L299-H302 HydrophobicContact CD2-CB 3.99Å
303	L	37.8	Very low	35.2	Very low	118 Å²	118	153 Å²	153	62%	0.618	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-5.1	-171.5	-106.9	121.7	0	0	0	116.3
304	E	41	Very low	35.1	Very low	148 Å²	148	150.1 Å²	150.1	69%	0.692	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-6.4	-174.4	-75.7	-174.1	160.9	0	0	115	K169	K169-E304 IonicContact NZ-OE1 2.72Å; K169-E304 PolarHBondContact NZ-OE1 3.1Å; K169-E304 IonicContact NZ-OE2 2.74Å; K169-E304 PolarHBondContact NZ-OE2 3.12Å
305	N	40.4	Very low	35.2	Very low	146 Å²	146	156.4 Å²	156.4	78%	0.781	76%	0.759	S	S	*	*	S	Bend	trans	-119.5	-9.2	-170	-76.2	-8.4	0	0	0	117.4
306	T	40.3	Very low	35	Very low	102 Å²	102	155.3 Å²	155.3	63%	0.626	75%	0.754	S	S	*	*	S	Bend	trans	-108.5	-7.3	-173	46.5	0	0	0	0	115.3	G308	T306-G308 VanDerWaalsContact C-N 3.32Å; T306-G308 PolarHBondContact O-N 2.93Å
307	E	37	Very low	35	Very low	135 Å²	135	150 Å²	150	63%	0.631	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-10.2	-178.1	-65.4	-171.1	155.4	0	0	114
308	G	35.5	Very low	34.7	Very low	57 Å²	57	143.3 Å²	143.3	59%	0.588	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-20.2	-176.8	0	0	0	0	0	116.6	T306	T306-G308 VanDerWaalsContact C-N 3.32Å; T306-G308 PolarHBondContact O-N 2.93Å
309	E	34.2	Very low	34.7	Very low	167 Å²	167	140.5 Å²	140.5	78%	0.78	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-25.4	-172.6	-78.2	-174.7	149.7	0	0	114.4	F311	E309-F311 VanDerWaalsContact C-N 3.3Å; E309-F311 PolarHBondContact O-N 3.49Å
310	A	35.1	Very low	34.7	Very low	70 Å²	70	140.9 Å²	140.9	58%	0.579	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-20.8	-178.1	0	0	0	0	0	113.9
311	F	33.2	Very low	34.7	Very low	177 Å²	177	140.2 Å²	140.2	78%	0.776	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.6	1.2	-175.5	-72.3	-79.9	0	0	0	115.1	E309	E309-F311 VanDerWaalsContact C-N 3.3Å; E309-F311 PolarHBondContact O-N 3.49Å
312	R	35.2	Very low	34.6	Very low	229 Å²	229	136.5 Å²	136.5	86%	0.864	72%	0.723	S	S	*	*	S	Bend	trans	-89.9	-5	177.3	-94.5	-173	-174.3	-169	3.1	115.2
313	K	33.9	Very low	34.5	Very low	198 Å²	198	135.4 Å²	135.4	86%	0.861	72%	0.722	S	S	*	*	S	Bend	trans	-113.5	10.4	-175.5	-78.3	-172.2	177.3	179.3	0	116.5	K315	K313-K315 PolarHBondContact O-N 3.22Å
314	V	30.9	Very low	34.2	Very low	121 Å²	121	136.7 Å²	136.7	73%	0.733	73%	0.728	S	S	*	*			trans	-96.5	96.7	177	-173.1	0	0	0	0	109.8	K316	V314-K316 PolarHBondContact O-N 3Å
315	K	30.6	Very low	33.8	Very low	201 Å²	201	134.1 Å²	134.1	87%	0.874	72%	0.722	S	S	*	*			trans	-55.6	130	167.2	-89.1	-179.6	172.2	-179	0	109	K313	K313-K315 PolarHBondContact O-N 3.22Å
316	K	32.6	Very low	33.5	Very low	191 Å²	191	133 Å²	133	83%	0.83	72%	0.716	S	S	*	*			trans	-62.4	142.8	172.3	-76.4	-178.3	172.1	-175.9	0	110	V314 G318	V314-K316 PolarHBondContact O-N 3Å; K316-G318 PolarHBondContact O-N 3Å
317	P	30	Very low	33.1	Very low	138 Å²	138	132.7 Å²	132.7	90%	0.896	71%	0.714	S	S	*	*			trans	-74.2	113.5	174.3	31.4	-29.6	0	0	0	108.1
318	G	27.8	Very low	32.8	Very low	56 Å²	56	133.5 Å²	133.5	58%	0.577	72%	0.716	S	S	*	*			trans	-170.1	125.7	176.1	0	0	0	0	0	108.2	K316	K316-G318 PolarHBondContact O-N 3Å
319	D	31.3	Very low	32.7	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	72%	0.717	S	S	*	*	S	Bend	trans	101.6	5.1	164.6	-56.8	-19.9	0	0	0	121.4
320	D	32.7	Very low	32.7	Very low	132 Å²	132	132.9 Å²	132.9	71%	0.706	71%	0.712	S	S	*	*			trans	-104.7	25.4	179.6	-71.8	-23.7	0	0	0	116	S322	D320-S322 PolarHBondContact O-N 3.29Å
321	S	34.8	Very low	32.5	Very low	107 Å²	107	137.9 Å²	137.9	75%	0.748	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	6.1	170.7	45.2	0	0	0	0	114.4
322	S	36.1	Very low	32.5	Very low	79 Å²	79	137.3 Å²	137.3	55%	0.552	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-6.8	-176.4	62.5	0	0	0	0	115.3	D320	D320-S322 PolarHBondContact O-N 3.29Å
323	L	33.8	Very low	32.4	Very low	126 Å²	126	135.9 Å²	135.9	66%	0.66	72%	0.719	S	S	*	*	S	Bend	trans	-96.3	-17.7	179.4	-92.1	153	0	0	0	114.3
324	L	32.3	Very low	32.2	Very low	145 Å²	145	129.4 Å²	129.4	76%	0.759	71%	0.708	S	S	*	*	S	Bend	trans	-85.9	-11	-179.2	-88.5	154.4	0	0	0	114.4
325	V	32.8	Very low	32.2	Very low	94 Å²	94	134.4 Å²	134.4	57%	0.57	71%	0.714	S	S	*	*	S	Bend	trans	-91.2	-19.8	179	179.3	0	0	0	0	112.7
326	N	32.9	Very low	32.3	Very low	122 Å²	122	134.7 Å²	134.7	65%	0.652	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-6.1	-177.4	-79.9	-25.7	0	0	0	115.2
327	V	33.1	Very low	32.4	Very low	96 Å²	96	134.2 Å²	134.2	58%	0.582	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97	-20.7	175.4	-178.7	0	0	0	0	111.8
328	F	29.7	Very low	32.4	Very low	151 Å²	151	135.5 Å²	135.5	66%	0.662	71%	0.714	S	S	*	*	H	α-helix	trans	-85.8	-18	-179.2	-119.5	-97.2	0	0	0	114.6	F332	F328-F332 HydrophobicContact CD1-CD2 4.47Å; F328-F332 HydrophobicContact CD1-CE2 4.42Å; F328-F332 HydrophobicContact CE1-CE2 4.04Å
329	V	34.1	Very low	32.7	Very low	101 Å²	101	139.8 Å²	139.8	61%	0.612	73%	0.729	S	S	*	*	H	α-helix	trans	-92.6	-18.5	-179.4	178.6	0	0	0	0	112.8
330	V	34.7	Very low	32.8	Very low	111 Å²	111	142 Å²	142	67%	0.673	73%	0.734	S	S	*	*	H	α-helix	trans	-90	-21.5	-180	-179.6	0	0	0	0	112.6
331	F	29.7	Very low	32.9	Very low	175 Å²	175	144.6 Å²	144.6	77%	0.768	74%	0.742	S	S	*	*	H	α-helix	trans	-89.3	-21.2	-178.2	-99	-94.4	0	0	0	115.1
332	F	32.4	Very low	32.8	Very low	164 Å²	164	148 Å²	148	72%	0.719	75%	0.751	S	S	*	*	S	Bend	trans	-96.2	-7.1	-175.6	-90.8	-85.5	0	0	0	115.7	F328	F328-F332 HydrophobicContact CD1-CD2 4.47Å; F328-F332 HydrophobicContact CD1-CE2 4.42Å; F328-F332 HydrophobicContact CE1-CE2 4.04Å
333	F	33.2	Very low	32.6	Very low	199 Å²	199	152.8 Å²	152.8	87%	0.873	77%	0.765	S	S	*	*	S	Bend	trans	-116.4	7.2	-178.8	-96.4	-86	0	0	0	115.3
334	G	29.7	Very low	32.8	Very low	62 Å²	62	153.7 Å²	153.7	64%	0.639	78%	0.776	S	S	*	*	S	Bend	trans	-109.5	2.2	-165.3	0	0	0	0	0	119.3
335	R	32.4	Very low	33	Very low	226 Å²	226	152.1 Å²	152.1	85%	0.853	78%	0.777	S	S	*	*			trans	-132.1	22.4	-171.2	-113.4	179.6	175.6	170.2	-0.9	117.9	H337	R335-H337 VanDerWaalsContact C-N 3.28Å; R335-H337 PolarHBondContact O-N 3.26Å
336	F	32.5	Very low	33	Very low	208 Å²	208	155.1 Å²	155.1	91%	0.912	79%	0.79	S	S	*	*	S	Bend	trans	-85.6	22.3	170.5	-119.4	-83.8	0	0	0	114.2
337	H	33.4	Very low	33.3	Very low	181 Å²	181	153.5 Å²	153.5	84%	0.838	79%	0.793	S	S	*	*	S	Bend	trans	-143.5	20.9	-166.3	-118.5	39.1	0	0	0	117.8	R335	R335-H337 VanDerWaalsContact C-N 3.28Å; R335-H337 PolarHBondContact O-N 3.26Å
338	L	31.3	Very low	33.5	Very low	164 Å²	164	155 Å²	155	86%	0.859	80%	0.803	S	S	*	*	S	Bend	trans	-152.2	45.3	-178.5	-134	116.3	0	0	0	116
339	V	32.8	Very low	33.8	Very low	146 Å²	146	157.5 Å²	157.5	89%	0.885	82%	0.817	S	S	*	*	S	Bend	trans	-132.4	9.9	171.4	-176.2	0	0	0	0	112.8
340	E	33.8	Very low	33.7	Very low	193 Å²	193	158.2 Å²	158.2	90%	0.902	83%	0.826	S	S	*	*	S	Bend	trans	-100.7	23.9	-175.4	-149.2	175	-170.7	0	0	114.7
341	Q	34.9	Very low	33.8	Very low	186 Å²	186	158 Å²	158	87%	0.869	83%	0.83	S	S	*	*	S	Bend	trans	-138.8	15.3	-171.7	-100.1	-170	-4.7	0	0	118.9
342	L	33.6	Very low	34.5	Very low	178 Å²	178	155 Å²	155	93%	0.932	83%	0.826	S	S	*	*			trans	-136.1	58.1	173	-76.4	165.2	0	0	0	111.7
343	Q	31.7	Very low	35	Very low	181 Å²	181	155.9 Å²	155.9	85%	0.846	83%	0.832	S	S	*	*			trans	-119.2	144	154.9	-85.9	-178.4	-14.8	0	0	108.5
344	T	38.2	Very low	35.5	Very low	145 Å²	145	154.2 Å²	154.2	89%	0.89	83%	0.827	S	S	*	*			trans	98.3	119.6	170.9	76.4	0	0	0	0	118.3
345	S	36	Very low	36.5	Very low	112 Å²	112	153.6 Å²	153.6	78%	0.783	81%	0.813	S	S	*	*			trans	105.5	82.2	151.4	-153.3	0	0	0	0	117.9
346	D	32.6	Very low	37	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	80%	0.796	S	S	*	*				21.8	126	128.2	-67.7	-24.3	0	0	0	119.7
347	A	39.5	Very low	37.6	Very low	88 Å²	88	139 Å²	139	73%	0.727	78%	0.775	S	S	*	*				-177.4	114.4	112.1	0	0	0	0	0	111.5
348	T	37.3	Very low	38.3	Very low	129 Å²	129	136 Å²	136	79%	0.791	77%	0.765	S	S	*	*			trans	45.6	107.6	138.5	50.8	0	0	0	0	120.6
349	E	36.6	Very low	39.1	Very low	202 Å²	202	137 Å²	137	94%	0.944	76%	0.757	S	S	*	*				170.8	145.7	104.3	-95.2	-179.2	179.6	0	0	112.6
350	S	32	Very low	39.5	Very low	116 Å²	116	137.4 Å²	137.4	81%	0.811	74%	0.744	S	S	*	*			trans	-107.7	128	-165	54.3	0	0	0	0	113.1
351	S	36.5	Very low	40.3	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	72%	0.722	S	S	*	*			trans	168.2	114.4	155	165.4	0	0	0	0	109.5
352	T	43.6	Very low	41.3	Very low	112 Å²	112	125.3 Å²	125.3	69%	0.687	70%	0.702	S	S	*	*			trans	140.3	22.1	163.4	52.4	0	0	0	0	116.2	H354 S355	T352-H354 VanDerWaalsContact C-N 3.35Å; T352-H354 PolarHBondContact O-N 2.93Å; T352-S355 PolarHBondContact O-N 2.89Å; T352-S355 PolarHBondContact O-OG 3.41Å
353	Q	43.5	Very low	42.2	Very low	181 Å²	181	122.1 Å²	122.1	85%	0.846	69%	0.685	S	S	*	*	H	α-helix	trans	-67.3	-18.4	-175.7	-96.2	176.5	-18.6	0	0	116.9
354	H	44.7	Very low	42.8	Very low	165 Å²	165	117.4 Å²	117.4	76%	0.764	67%	0.665	S	S	*	*	H	α-helix	trans	-82.5	-22.2	175.6	-76	-24	0	0	0	114.5	T352 A356	T352-H354 VanDerWaalsContact C-N 3.35Å; T352-H354 PolarHBondContact O-N 2.93Å; H354-A356 VanDerWaalsContact C-N 3.31Å; H354-A356 PolarHBondContact O-N 2.94Å
355	S	50.6	Low	43.8	Very low	49 Å²	49	116.4 Å²	116.4	34%	0.343	65%	0.65	S	S	.	*	H	α-helix	trans	-74.3	-22.3	176.8	80.3	0	0	0	0	113.5	T352 R359	T352-S355 PolarHBondContact O-N 2.89Å; T352-S355 PolarHBondContact O-OG 3.41Å; S355-R359 WeakPolarHBondContact O-CB 3.38Å; S355-R359 WeakPolarHBondContact O-CD 3.28Å; S355-R359 WeakPolarHBondContact O-CG 3.49Å; S355-R359 PolarHBondContact O-N 3.35Å
356	A	42.8	Very low	45.1	Very low	60 Å²	60	118.1 Å²	118.1	50%	0.496	64%	0.64	S	S	.	*	H	α-helix	trans	-79.3	-35	-177.8	0	0	0	0	0	112.3	H354 Y360	H354-A356 VanDerWaalsContact C-N 3.31Å; H354-A356 PolarHBondContact O-N 2.94Å; A356-Y360 WeakPolarHBondContact O-CB 3.49Å; A356-Y360 PolarHBondContact O-N 2.91Å; A356-Y360 VanDerWaalsContact O-N 3.07Å
357	S	43.5	Very low	46.3	Very low	68 Å²	68	114 Å²	114	48%	0.476	62%	0.62	S	S	.	*	H	α-helix	trans	-68	-48.9	178	-175.2	0	0	0	0	111.5	R359 Y360 V361	S357-R359 VanDerWaalsContact C-N 3.28Å; S357-R359 PolarHBondContact O-N 3.29Å; S357-Y360 WeakPolarHBondContact O-CB 3.33Å; S357-Y360 PolarHBondContact O-N 3Å; S357-V361 WeakPolarHBondContact O-CG2 3.2Å; S357-V361 PolarHBondContact O-N 3Å
358	D	48.9	Very low	47	Very low	118 Å²	118	115 Å²	115	63%	0.631	61%	0.612	S	S	*	*	H	α-helix	trans	-64.4	-35.9	179.4	-65.5	-16.6	0	0	0	111.6	Y360 V361 A362	D358-Y360 VanDerWaalsContact C-N 3.33Å; D358-Y360 PolarHBondContact O-N 3.25Å; D358-V361 PolarHBondContact O-N 3.04Å; D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 3.03Å
359	R	48.2	Very low	48.2	Very low	183 Å²	183	112.7 Å²	112.7	69%	0.691	60%	0.598	S	S	*	*	H	α-helix	trans	-64.1	-36.6	172.4	-79.5	175.3	-177.1	172.9	2.1	112.7	S355 S357 L363	S355-R359 WeakPolarHBondContact O-CB 3.38Å; S355-R359 WeakPolarHBondContact O-CD 3.28Å; S355-R359 WeakPolarHBondContact O-CG 3.49Å; S355-R359 PolarHBondContact O-N 3.35Å; S357-R359 VanDerWaalsContact C-N 3.28Å; S357-R359 PolarHBondContact O-N 3.29Å; R359-L363 WeakPolarHBondContact O-CB 3.38Å; R359-L363 PolarHBondContact O-N 3.39Å; R359-L363 VanDerWaalsContact O-N 3.1Å
360	Y	42.1	Very low	49.5	Very low	155 Å²	155	107.5 Å²	107.5	61%	0.608	57%	0.574	S	S	*	*	H	α-helix	trans	-71.1	-41	178.9	-164.7	-97.4	0	0	0	111.7	A356 S357 D358 L363 L364	A356-Y360 WeakPolarHBondContact O-CB 3.49Å; A356-Y360 PolarHBondContact O-N 2.91Å; A356-Y360 VanDerWaalsContact O-N 3.07Å; S357-Y360 WeakPolarHBondContact O-CB 3.33Å; S357-Y360 PolarHBondContact O-N 3Å; D358-Y360 VanDerWaalsContact C-N 3.33Å; D358-Y360 PolarHBondContact O-N 3.25Å; Y360-L363 PolarHBondContact O-N 2.85Å; Y360-L364 HydrophobicContact CD1-CD1 3.74Å; Y360-L364 HydrophobicContact CE1-CD1 3.46Å; Y360-L364 VanDerWaalsContact CE1-CD1 3.46Å; Y360-L364 HydrophobicContact CE1-CG 4.49Å; Y360-L364 PolarHBondContact O-N 3.37Å
361	V	50.2	Low	50.5	Low	72 Å²	72	105.5 Å²	105.5	44%	0.436	55%	0.55	S	S	.	*	H	α-helix	trans	-63.4	-47.2	175.6	175.6	0	0	0	0	111	S357 D358 L363 L364 E365	S357-V361 WeakPolarHBondContact O-CG2 3.2Å; S357-V361 PolarHBondContact O-N 3Å; D358-V361 PolarHBondContact O-N 3.04Å; V361-L363 VanDerWaalsContact C-N 3.28Å; V361-L363 PolarHBondContact O-N 3.2Å; V361-L364 WeakPolarHBondContact O-CB 3.42Å; V361-L364 PolarHBondContact O-N 2.9Å; V361-E365 PolarHBondContact O-N 3.2Å
362	A	55.9	Low	51.3	Low	54 Å²	54	101.9 Å²	101.9	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-62.7	-34.4	177.7	0	0	0	0	0	112.9	D358 R366	D358-A362 WeakPolarHBondContact O-CB 3.35Å; D358-A362 PolarHBondContact O-N 3.03Å; A362-R366 PolarHBondContact O-N 3.02Å
363	L	51.4	Low	52.3	Low	110 Å²	110	101.6 Å²	101.6	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-65.5	-47	175.3	-159.3	99.7	0	0	0	111	R359 Y360 V361 R366 T367	R359-L363 WeakPolarHBondContact O-CB 3.38Å; R359-L363 PolarHBondContact O-N 3.39Å; R359-L363 VanDerWaalsContact O-N 3.1Å; Y360-L363 PolarHBondContact O-N 2.85Å; V361-L363 VanDerWaalsContact C-N 3.28Å; V361-L363 PolarHBondContact O-N 3.2Å; L363-R366 PolarHBondContact O-N 2.79Å; L363-T367 PolarHBondContact O-N 2.92Å; L363-T367 PolarHBondContact O-OG1 3.48Å
364	L	46	Very low	53.3	Low	82 Å²	82	98.3 Å²	98.3	43%	0.429	50%	0.504	S	S	.	.	H	α-helix	trans	-58	-49.3	177.6	-101.3	156	0	0	0	111.8	Y360 V361 R366 T367 I368	Y360-L364 HydrophobicContact CD1-CD1 3.74Å; Y360-L364 HydrophobicContact CE1-CD1 3.46Å; Y360-L364 VanDerWaalsContact CE1-CD1 3.46Å; Y360-L364 HydrophobicContact CE1-CG 4.49Å; Y360-L364 PolarHBondContact O-N 3.37Å; V361-L364 WeakPolarHBondContact O-CB 3.42Å; V361-L364 PolarHBondContact O-N 2.9Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 2.94Å; L364-T367 WeakPolarHBondContact CA-OG1 3.17Å; L364-T367 PolarHBondContact O-N 3.46Å; L364-T367 PolarHBondContact O-OG1 2.94Å; L364-I368 VanDerWaalsContact O-CG1 3.28Å; L364-I368 WeakPolarHBondContact O-CG1 3.39Å; L364-I368 PolarHBondContact O-N 3.02Å
365	E	57.9	Low	53.7	Low	125 Å²	125	94.6 Å²	94.6	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-57.6	-42.4	177.3	-73.8	-177.1	160.5	0	0	112.1	V361 I368 V369	V361-E365 PolarHBondContact O-N 3.2Å; E365-I368 PolarHBondContact O-N 3.32Å; E365-V369 WeakPolarHBondContact O-CG2 3.37Å; E365-V369 PolarHBondContact O-N 2.91Å
366	R	64.1	Low	54.3	Low	148 Å²	148	99.6 Å²	99.6	56%	0.558	50%	0.5	S	S	*	.	H	α-helix	trans	-65	-47.2	178.5	-173	177.4	178.1	154.9	1.2	112.5	A362 L363 L364 I368 V369 E370	A362-R366 PolarHBondContact O-N 3.02Å; L363-R366 PolarHBondContact O-N 2.79Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 2.94Å; R366-I368 VanDerWaalsContact C-N 3.26Å; R366-I368 PolarHBondContact O-N 3.44Å; R366-V369 PolarHBondContact O-N 2.95Å; R366-V369 VanDerWaalsContact O-N 3.15Å; R366-E370 IonicContact CZ-OE1 3.48Å; R366-E370 IonicContact NE-OE1 2.97Å; R366-E370 PolarHBondContact NE-OE1 2.94Å; R366-E370 IonicContact NH2-OE1 3.8Å; R366-E370 PolarHBondContact O-N 2.89Å
367	T	57.5	Low	55.3	Low	68 Å²	68	99.1 Å²	99.1	42%	0.417	49%	0.493	S	S	.	.	H	α-helix	trans	-59.8	-38.1	175.6	20	0	0	0	0	112.2	L363 L364 F371	L363-T367 PolarHBondContact O-N 2.92Å; L363-T367 PolarHBondContact O-OG1 3.48Å; L364-T367 WeakPolarHBondContact CA-OG1 3.17Å; L364-T367 PolarHBondContact O-N 3.46Å; L364-T367 PolarHBondContact O-OG1 2.94Å; T367-F371 WeakPolarHBondContact O-CB 3.4Å; T367-F371 PolarHBondContact O-N 2.91Å
368	I	53.3	Low	56.1	Low	109 Å²	109	101.3 Å²	101.3	56%	0.559	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-42.1	176.4	-69.9	166.4	0	0	0	110.6	L364 E365 R366 A372	L364-I368 VanDerWaalsContact O-CG1 3.28Å; L364-I368 WeakPolarHBondContact O-CG1 3.39Å; L364-I368 PolarHBondContact O-N 3.02Å; E365-I368 PolarHBondContact O-N 3.32Å; R366-I368 VanDerWaalsContact C-N 3.26Å; R366-I368 PolarHBondContact O-N 3.44Å; I368-A372 VanDerWaalsContact O-CB 3.24Å; I368-A372 WeakPolarHBondContact O-CB 3.47Å; I368-A372 PolarHBondContact O-N 2.97Å
369	V	63.1	Low	56.3	Low	82 Å²	82	99.2 Å²	99.2	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-67.4	-45.2	178.5	172.2	0	0	0	0	112	E365 R366 A372 Q373	E365-V369 WeakPolarHBondContact O-CG2 3.37Å; E365-V369 PolarHBondContact O-N 2.91Å; R366-V369 PolarHBondContact O-N 2.95Å; R366-V369 VanDerWaalsContact O-N 3.15Å; V369-A372 PolarHBondContact O-N 3.44Å; V369-Q373 PolarHBondContact O-N 3.38Å
370	E	64.6	Low	57	Low	93 Å²	93	96.6 Å²	96.6	44%	0.435	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.8	-73.6	174.4	-173	0	0	111.2	R366 Q373 M374	R366-E370 IonicContact CZ-OE1 3.48Å; R366-E370 IonicContact NE-OE1 2.97Å; R366-E370 PolarHBondContact NE-OE1 2.94Å; R366-E370 IonicContact NH2-OE1 3.8Å; R366-E370 PolarHBondContact O-N 2.89Å; E370-Q373 PolarHBondContact O-N 2.89Å; E370-M374 PolarHBondContact O-N 3.41Å
371	F	52.8	Low	57.9	Low	73 Å²	73	95 Å²	95	32%	0.32	48%	0.481	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.2	-159	-107.2	0	0	0	111.7	T367 Q373 M374 I375	T367-F371 WeakPolarHBondContact O-CB 3.4Å; T367-F371 PolarHBondContact O-N 2.91Å; F371-Q373 VanDerWaalsContact C-N 3.31Å; F371-Q373 PolarHBondContact O-N 3.25Å; F371-M374 PolarHBondContact O-N 3.41Å; F371-I375 HydrophobicContact CD1-CD1 3.63Å; F371-I375 HydrophobicContact CD1-CG1 4.38Å; F371-I375 HydrophobicContact CE1-CD1 3.59Å; F371-I375 HydrophobicContact CE1-CG1 4.36Å; F371-I375 HydrophobicContact CZ-CD1 4.49Å; F371-I375 WeakPolarHBondContact O-CG1 3.36Å; F371-I375 PolarHBondContact O-N 3.28Å
372	A	52	Low	58.1	Low	33 Å²	33	94.2 Å²	94.2	27%	0.273	48%	0.475	S	S	.	.	H	α-helix	trans	-65.8	-30.6	175.1	0	0	0	0	0	113.2	I368 V369 R376	I368-A372 VanDerWaalsContact O-CB 3.24Å; I368-A372 WeakPolarHBondContact O-CB 3.47Å; I368-A372 PolarHBondContact O-N 2.97Å; V369-A372 PolarHBondContact O-N 3.44Å; A372-R376 WeakPolarHBondContact O-CB 3.4Å; A372-R376 WeakPolarHBondContact O-CG 3.3Å; A372-R376 PolarHBondContact O-N 3.06Å; A372-R376 VanDerWaalsContact O-N 3.14Å; A372-R376 PolarHBondContact O-NE 2.8Å
373	Q	66.3	Low	57.9	Low	105 Å²	105	97 Å²	97	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-73.6	-41.1	172.7	-81.9	178.6	-20.2	0	0	111.9	V369 E370 F371 R376 S377	V369-Q373 PolarHBondContact O-N 3.38Å; E370-Q373 PolarHBondContact O-N 2.89Å; F371-Q373 VanDerWaalsContact C-N 3.31Å; F371-Q373 PolarHBondContact O-N 3.25Å; Q373-R376 PolarHBondContact O-N 2.99Å; Q373-S377 PolarHBondContact O-N 3.43Å; Q373-S377 PolarHBondContact O-OG 2.99Å
374	M	64.4	Low	58.2	Low	112 Å²	112	98.1 Å²	98.1	55%	0.552	48%	0.483	S	S	*	.	H	α-helix	trans	-63.2	-41.4	175.7	-170.9	-173.6	-63.6	0	0	111.8	E370 F371 R376 S377 H378	E370-M374 PolarHBondContact O-N 3.41Å; F371-M374 PolarHBondContact O-N 3.41Å; M374-R376 VanDerWaalsContact C-N 3.34Å; M374-S377 PolarHBondContact O-N 3.01Å; M374-S377 PolarHBondContact O-OG 3.48Å; M374-H378 WeakPolarHBondContact O-CB 3.38Å; M374-H378 PolarHBondContact O-N 3.33Å
375	I	53	Low	58.4	Low	88 Å²	88	100.2 Å²	100.2	45%	0.451	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-42.7	173.2	-68.9	170.4	0	0	0	110.4	F371 T379	F371-I375 HydrophobicContact CD1-CD1 3.63Å; F371-I375 HydrophobicContact CD1-CG1 4.38Å; F371-I375 HydrophobicContact CE1-CD1 3.59Å; F371-I375 HydrophobicContact CE1-CG1 4.36Å; F371-I375 HydrophobicContact CZ-CD1 4.49Å; F371-I375 WeakPolarHBondContact O-CG1 3.36Å; F371-I375 PolarHBondContact O-N 3.28Å; I375-T379 WeakPolarHBondContact O-CB 3.13Å; I375-T379 PolarHBondContact O-N 2.91Å; I375-T379 PolarHBondContact O-OG1 2.91Å
376	R	61.7	Low	57.9	Low	153 Å²	153	98.2 Å²	98.2	58%	0.577	48%	0.481	S	S	*	.	H	α-helix	trans	-63.3	-43.7	177	-87	-173.4	-95.9	-164.9	-6.2	112.7	A372 Q373 M374 T379 E380	A372-R376 WeakPolarHBondContact O-CB 3.4Å; A372-R376 WeakPolarHBondContact O-CG 3.3Å; A372-R376 PolarHBondContact O-N 3.06Å; A372-R376 VanDerWaalsContact O-N 3.14Å; A372-R376 PolarHBondContact O-NE 2.8Å; Q373-R376 PolarHBondContact O-N 2.99Å; M374-R376 VanDerWaalsContact C-N 3.34Å; R376-T379 WeakPolarHBondContact CA-OG1 3.34Å; R376-T379 PolarHBondContact O-N 2.62Å; R376-T379 PolarHBondContact O-OG1 3.31Å; R376-T379 VanDerWaalsContact O-OG1 3.04Å; R376-E380 WeakPolarHBondContact O-CB 3.31Å; R376-E380 WeakPolarHBondContact O-CG 3.42Å; R376-E380 PolarHBondContact O-N 3.38Å
377	S	65.4	Low	57.5	Low	50 Å²	50	96.7 Å²	96.7	35%	0.35	48%	0.481	S	S	.	.	H	α-helix	trans	-67.2	-42.5	178.4	64.7	0	0	0	0	112.3	Q373 M374 T379 E380 E381	Q373-S377 PolarHBondContact O-N 3.43Å; Q373-S377 PolarHBondContact O-OG 2.99Å; M374-S377 PolarHBondContact O-N 3.01Å; M374-S377 PolarHBondContact O-OG 3.48Å; S377-T379 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.32Å; S377-E380 PolarHBondContact O-N 2.97Å; S377-E381 WeakPolarHBondContact O-CG 3.44Å; S377-E381 PolarHBondContact O-N 3.43Å
378	H	60.4	Low	57.3	Low	114 Å²	114	96.8 Å²	96.8	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-62.8	-40	173.7	-100.6	52.4	0	0	0	112.1	M374 D382	M374-H378 WeakPolarHBondContact O-CB 3.38Å; M374-H378 PolarHBondContact O-N 3.33Å; H378-D382 WeakPolarHBondContact O-CB 3.48Å; H378-D382 PolarHBondContact O-N 2.73Å
379	T	51.2	Low	57.6	Low	75 Å²	75	93.2 Å²	93.2	46%	0.46	47%	0.467	S	S	.	.	H	α-helix	trans	-69.5	-34.5	177.1	38.5	0	0	0	0	112.9	I375 R376 S377 L383	I375-T379 WeakPolarHBondContact O-CB 3.13Å; I375-T379 PolarHBondContact O-N 2.91Å; I375-T379 PolarHBondContact O-OG1 2.91Å; R376-T379 WeakPolarHBondContact CA-OG1 3.34Å; R376-T379 PolarHBondContact O-N 2.62Å; R376-T379 PolarHBondContact O-OG1 3.31Å; R376-T379 VanDerWaalsContact O-OG1 3.04Å; S377-T379 VanDerWaalsContact C-N 3.34Å; S377-T379 PolarHBondContact O-N 3.32Å; T379-L383 WeakPolarHBondContact O-CB 3.39Å; T379-L383 PolarHBondContact O-N 2.82Å
380	E	63.4	Low	57.4	Low	127 Å²	127	93.5 Å²	93.5	59%	0.593	47%	0.469	S	S	*	.	H	α-helix	trans	-68.4	-43	172.9	-77	176.9	179.9	0	0	112.5	R376 S377 L383 H384	R376-E380 WeakPolarHBondContact O-CB 3.31Å; R376-E380 WeakPolarHBondContact O-CG 3.42Å; R376-E380 PolarHBondContact O-N 3.38Å; S377-E380 PolarHBondContact O-N 2.97Å; E380-L383 PolarHBondContact O-N 3.45Å; E380-H384 PolarHBondContact O-CD2 2.97Å; E380-H384 VanDerWaalsContact O-CD2 3.25Å; E380-H384 PolarHBondContact O-N 3.47Å
381	E	62.3	Low	57.6	Low	123 Å²	123	95.5 Å²	95.5	58%	0.575	48%	0.476	S	S	*	.	H	α-helix	trans	-61	-45.1	174.1	-78	-176.4	175.4	0	0	111.6	S377 H384 L385	S377-E381 WeakPolarHBondContact O-CG 3.44Å; S377-E381 PolarHBondContact O-N 3.43Å; E381-H384 PolarHBondContact O-N 3.23Å; E381-L385 WeakPolarHBondContact O-CG 3.44Å; E381-L385 PolarHBondContact O-N 2.99Å
382	D	53.4	Low	58.2	Low	55 Å²	55	97.5 Å²	97.5	29%	0.294	49%	0.486	S	S	.	.	H	α-helix	trans	-61.1	-46.6	173.5	-81.6	-19.9	0	0	0	110.7	H378 H384 L385 W386	H378-D382 WeakPolarHBondContact O-CB 3.48Å; H378-D382 PolarHBondContact O-N 2.73Å; D382-H384 VanDerWaalsContact C-N 3.26Å; D382-H384 PolarHBondContact O-N 2.76Å; D382-L385 CarbonylContact O-C 3.41Å; D382-L385 WeakPolarHBondContact O-CA 3.33Å; D382-L385 WeakPolarHBondContact O-CB 3.31Å; D382-L385 PolarHBondContact O-N 3.47Å; D382-W386 PolarHBondContact O-N 2.94Å
383	L	51.8	Low	58.7	Low	113 Å²	113	98.9 Å²	98.9	59%	0.592	49%	0.489	S	S	*	.	H	α-helix	trans	-58.8	-38.5	179.5	-144.8	107.3	0	0	0	112.3	T379 E380 W386 Q387	T379-L383 WeakPolarHBondContact O-CB 3.39Å; T379-L383 PolarHBondContact O-N 2.82Å; E380-L383 PolarHBondContact O-N 3.45Å; L383-W386 PolarHBondContact O-N 2.61Å; L383-Q387 PolarHBondContact O-N 2.78Å
384	H	58.4	Low	58.8	Low	132 Å²	132	98.4 Å²	98.4	61%	0.611	49%	0.489	S	S	*	.	H	α-helix	trans	-68.4	-33.1	173.6	-81.8	-58.5	0	0	0	113	E380 E381 D382 W386 P388	E380-H384 PolarHBondContact O-CD2 2.97Å; E380-H384 VanDerWaalsContact O-CD2 3.25Å; E380-H384 PolarHBondContact O-N 3.47Å; E381-H384 PolarHBondContact O-N 3.23Å; D382-H384 VanDerWaalsContact C-N 3.26Å; D382-H384 PolarHBondContact O-N 2.76Å; H384-W386 VanDerWaalsContact C-N 3.33Å; H384-P388 WeakPolarHBondContact O-CD 3.28Å
385	L	50.6	Low	59.2	Low	127 Å²	127	97.3 Å²	97.3	67%	0.665	48%	0.483	S	S	*	.	H	α-helix	trans	-68.4	-31.3	169.6	-74.1	158.2	0	0	0	112.1	E381 D382	E381-L385 WeakPolarHBondContact O-CG 3.44Å; E381-L385 PolarHBondContact O-N 2.99Å; D382-L385 CarbonylContact O-C 3.41Å; D382-L385 WeakPolarHBondContact O-CA 3.33Å; D382-L385 WeakPolarHBondContact O-CB 3.31Å; D382-L385 PolarHBondContact O-N 3.47Å
386	W	46.1	Very low	59.8	Low	82 Å²	82	94.2 Å²	94.2	31%	0.311	47%	0.467	S	S	.	.	H	α-helix	trans	-78.9	-34.5	179.5	-77.1	101.8	0	0	0	114.1	K249 D382 L383 H384 S389 V390	K249-W386 HydrophobicContact CB-CH2 3.91Å; K249-W386 HydrophobicContact CB-CZ3 4.36Å; K249-W386 HydrophobicContact CD-CH2 3.77Å; K249-W386 HydrophobicContact CD-CZ3 3.7Å; K249-W386 HydrophobicContact CG-CH2 3.56Å; K249-W386 HydrophobicContact CG-CZ3 4.03Å; D382-W386 PolarHBondContact O-N 2.94Å; L383-W386 PolarHBondContact O-N 2.61Å; H384-W386 VanDerWaalsContact C-N 3.33Å; W386-S389 PolarHBondContact O-N 2.93Å; W386-S389 PolarHBondContact O-OG 3.07Å; W386-V390 PolarHBondContact O-N 2.78Å; W386-V390 VanDerWaalsContact O-N 3.11Å
387	Q	55.6	Low	60.1	Low	116 Å²	116	92.5 Å²	92.5	54%	0.542	47%	0.465	S	S	.	.	H	α-helix	trans	-54.6	-46.7	-177.2	-90.3	-174.7	-8.5	0	0	114.4	L383 S389 V390 K391	L383-Q387 PolarHBondContact O-N 2.78Å; Q387-S389 VanDerWaalsContact C-N 3.31Å; Q387-S389 PolarHBondContact O-N 2.69Å; Q387-V390 PolarHBondContact O-N 2.94Å; Q387-K391 PolarHBondContact O-N 3.19Å
388	P	53.7	Low	60.6	Low	70 Å²	70	95.7 Å²	95.7	46%	0.455	48%	0.475	S	S	.	.	H	α-helix	trans	-59.8	-40.5	174.2	-23.2	32.9	0	0	0	112.3	H384 V390 K391 E392	H384-P388 WeakPolarHBondContact O-CD 3.28Å; P388-V390 PolarHBondContact O-N 3.24Å; P388-K391 PolarHBondContact O-N 3.09Å; P388-E392 WeakPolarHBondContact O-CB 3.43Å; P388-E392 WeakPolarHBondContact O-CG 3.47Å; P388-E392 PolarHBondContact O-N 3.06Å
389	S	59.2	Low	61.2	Low	34 Å²	34	94.6 Å²	94.6	24%	0.238	47%	0.47	C	S	.	.	H	α-helix	trans	-67.5	-34.8	-176.7	74.9	0	0	0	0	113.6	W386 Q387 L393	W386-S389 PolarHBondContact O-N 2.93Å; W386-S389 PolarHBondContact O-OG 3.07Å; Q387-S389 VanDerWaalsContact C-N 3.31Å; Q387-S389 PolarHBondContact O-N 2.69Å; S389-L393 WeakPolarHBondContact O-CB 3.35Å; S389-L393 WeakPolarHBondContact O-CG 3.19Å; S389-L393 PolarHBondContact O-N 3.13Å
390	V	59.8	Low	62	Low	88 Å²	88	92.3 Å²	92.3	53%	0.533	46%	0.456	S	S	.	.	H	α-helix	trans	-72.7	-39.2	176.6	177	0	0	0	0	110.9	W386 Q387 P388 L393 L394	W386-V390 PolarHBondContact O-N 2.78Å; W386-V390 VanDerWaalsContact O-N 3.11Å; Q387-V390 PolarHBondContact O-N 2.94Å; P388-V390 PolarHBondContact O-N 3.24Å; V390-L393 PolarHBondContact O-N 2.89Å; V390-L394 PolarHBondContact O-N 3.16Å
391	K	67.5	Low	62.5	Low	135 Å²	135	90.7 Å²	90.7	59%	0.587	45%	0.45	S	S	*	.	H	α-helix	trans	-63.6	-44.2	174.6	-173.9	-179.2	174.6	-173.1	0	111.3	Q387 P388 L393 L394 E395	Q387-K391 PolarHBondContact O-N 3.19Å; P388-K391 PolarHBondContact O-N 3.09Å; K391-L393 VanDerWaalsContact C-N 3.34Å; K391-L393 PolarHBondContact O-N 3.4Å; K391-L394 PolarHBondContact O-N 3.45Å; K391-E395 VanDerWaalsContact CE-OE1 3.23Å; K391-E395 WeakPolarHBondContact CE-OE1 3.43Å; K391-E395 WeakPolarHBondContact O-CG 3.17Å; K391-E395 PolarHBondContact O-N 3.39Å
392	E	65.9	Low	63	Low	115 Å²	115	87.6 Å²	87.6	54%	0.537	45%	0.446	S	S	.	.	H	α-helix	trans	-61.3	-40.5	174.4	-75.2	176.8	-177.9	0	0	112.2	P388 E395 M396	P388-E392 WeakPolarHBondContact O-CB 3.43Å; P388-E392 WeakPolarHBondContact O-CG 3.47Å; P388-E392 PolarHBondContact O-N 3.06Å; E392-E395 PolarHBondContact O-N 3.3Å; E392-M396 WeakPolarHBondContact O-CB 3.49Å; E392-M396 WeakPolarHBondContact O-CG 3.15Å; E392-M396 PolarHBondContact O-N 2.92Å
393	L	62.7	Low	63.9	Low	62 Å²	62	86.2 Å²	86.2	33%	0.325	44%	0.44	S	S	.	.	H	α-helix	trans	-61.4	-45.1	174.7	-83.8	162.6	0	0	0	112.2	L242 S389 V390 K391 M396 E397	L242-L393 HydrophobicContact CD1-CD2 4.17Å; L242-L393 HydrophobicContact CG-CD2 4.12Å; S389-L393 WeakPolarHBondContact O-CB 3.35Å; S389-L393 WeakPolarHBondContact O-CG 3.19Å; S389-L393 PolarHBondContact O-N 3.13Å; V390-L393 PolarHBondContact O-N 2.89Å; K391-L393 VanDerWaalsContact C-N 3.34Å; K391-L393 PolarHBondContact O-N 3.4Å; L393-M396 HydrophobicContact CD2-CE 4.05Å; L393-M396 HydrophobicContact CG-CE 4.38Å; L393-M396 PolarHBondContact O-N 3.11Å; L393-E397 WeakPolarHBondContact O-CB 3.44Å; L393-E397 PolarHBondContact O-N 3.43Å
394	L	69.4	Low	64.8	Low	96 Å²	96	83 Å²	83	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-41	178	-163.5	97.2	0	0	0	111.6	V390 K391 E397 Q398	V390-L394 PolarHBondContact O-N 3.16Å; K391-L394 PolarHBondContact O-N 3.45Å; L394-E397 PolarHBondContact O-N 2.88Å; L394-Q398 WeakPolarHBondContact O-CG 3.49Å; L394-Q398 PolarHBondContact O-N 3.14Å
395	E	71.9	Confident	65.7	Low	89 Å²	89	85.7 Å²	85.7	42%	0.416	43%	0.428	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175.8	-74	178.6	-172.6	0	0	111.5	K391 E392 Q398 Q399	K391-E395 VanDerWaalsContact CE-OE1 3.23Å; K391-E395 WeakPolarHBondContact CE-OE1 3.43Å; K391-E395 WeakPolarHBondContact O-CG 3.17Å; K391-E395 PolarHBondContact O-N 3.39Å; E392-E395 PolarHBondContact O-N 3.3Å; E395-Q398 PolarHBondContact O-N 2.83Å; E395-Q399 VanDerWaalsContact O-CG 3.28Å; E395-Q399 WeakPolarHBondContact O-CG 3.31Å; E395-Q399 PolarHBondContact O-N 3.49Å
396	M	65.3	Low	67	Low	23 Å²	23	82.5 Å²	82.5	11%	0.113	41%	0.41	C	S	.	.	H	α-helix	trans	-65.1	-41.4	174.3	-76.6	-168.5	-65.6	0	0	112.3	L245 E392 L393 Q399 V400	L245-M396 HydrophobicContact CD1-CE 3.9Å; E392-M396 WeakPolarHBondContact O-CB 3.49Å; E392-M396 WeakPolarHBondContact O-CG 3.15Å; E392-M396 PolarHBondContact O-N 2.92Å; L393-M396 HydrophobicContact CD2-CE 4.05Å; L393-M396 HydrophobicContact CG-CE 4.38Å; L393-M396 PolarHBondContact O-N 3.11Å; M396-Q399 PolarHBondContact O-N 3.29Å; M396-V400 WeakPolarHBondContact O-CG2 3.36Å; M396-V400 PolarHBondContact O-N 2.89Å
397	E	69.1	Low	68.2	Low	117 Å²	117	79.4 Å²	79.4	55%	0.547	40%	0.399	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.8	-174.4	174.4	-168.3	0	0	111.4	L393 L394 Q399 V400 L401	L393-E397 WeakPolarHBondContact O-CB 3.44Å; L393-E397 PolarHBondContact O-N 3.43Å; L394-E397 PolarHBondContact O-N 2.88Å; E397-Q399 VanDerWaalsContact C-N 3.33Å; E397-Q399 PolarHBondContact O-N 3.48Å; E397-V400 PolarHBondContact O-N 2.94Å; E397-L401 HydrophobicContact CG-CD1 4.48Å; E397-L401 WeakPolarHBondContact O-CG 3.35Å; E397-L401 PolarHBondContact O-N 3.35Å
398	Q	74.5	Confident	69.2	Low	117 Å²	117	80.4 Å²	80.4	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-38.4	174.6	-72.3	179.4	7.3	0	0	112.5	L394 E395 L401 A402	L394-Q398 WeakPolarHBondContact O-CG 3.49Å; L394-Q398 PolarHBondContact O-N 3.14Å; E395-Q398 PolarHBondContact O-N 2.83Å; Q398-L401 PolarHBondContact O-N 2.92Å; Q398-A402 WeakPolarHBondContact O-CB 3.42Å; Q398-A402 PolarHBondContact O-N 3.46Å
399	Q	72.9	Confident	70.4	Confident	90 Å²	90	82.5 Å²	82.5	42%	0.421	41%	0.407	S	S	.	.	H	α-helix	trans	-64.5	-42	174.3	-74.6	175.5	20.2	0	0	111.9	E395 M396 E397 A402 V403	E395-Q399 VanDerWaalsContact O-CG 3.28Å; E395-Q399 WeakPolarHBondContact O-CG 3.31Å; E395-Q399 PolarHBondContact O-N 3.49Å; M396-Q399 PolarHBondContact O-N 3.29Å; E397-Q399 VanDerWaalsContact C-N 3.33Å; E397-Q399 PolarHBondContact O-N 3.48Å; Q399-A402 PolarHBondContact O-N 3.4Å; Q399-V403 WeakPolarHBondContact O-CG2 3.37Å; Q399-V403 PolarHBondContact O-N 3.48Å
400	V	69.4	Low	71.1	Confident	27 Å²	27	81.5 Å²	81.5	16%	0.164	40%	0.399	C	S	.	.	H	α-helix	trans	-63.6	-43.5	177	172.3	0	0	0	0	110.9	K235 R238 M396 E397 A402 V403 D404	K235-V400 HydrophobicContact CG-CG1 4.43Å; R238-V400 HydrophobicContact CB-CG2 4.07Å; M396-V400 WeakPolarHBondContact O-CG2 3.36Å; M396-V400 PolarHBondContact O-N 2.89Å; E397-V400 PolarHBondContact O-N 2.94Å; V400-A402 VanDerWaalsContact C-N 3.34Å; V400-A402 PolarHBondContact O-N 3.1Å; V400-V403 PolarHBondContact O-N 3.35Å; V400-D404 PolarHBondContact O-N 3.27Å
401	L	73	Confident	71.7	Confident	93 Å²	93	85.6 Å²	85.6	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-64.2	-36.7	176.4	-71	173	0	0	0	112.6	E397 Q398 D404 R405	E397-L401 HydrophobicContact CG-CD1 4.48Å; E397-L401 WeakPolarHBondContact O-CG 3.35Å; E397-L401 PolarHBondContact O-N 3.35Å; Q398-L401 PolarHBondContact O-N 2.92Å; L401-D404 PolarHBondContact O-N 3.34Å; L401-R405 WeakPolarHBondContact O-CG 3.44Å; L401-R405 PolarHBondContact O-N 2.97Å; L401-R405 VanDerWaalsContact O-N 3.11Å
402	A	73.8	Confident	72.3	Confident	59 Å²	59	85.2 Å²	85.2	49%	0.488	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-43	175.2	0	0	0	0	0	111.9	Q398 Q399 V400 D404 R405 E406	Q398-A402 WeakPolarHBondContact O-CB 3.42Å; Q398-A402 PolarHBondContact O-N 3.46Å; Q399-A402 PolarHBondContact O-N 3.4Å; V400-A402 VanDerWaalsContact C-N 3.34Å; V400-A402 PolarHBondContact O-N 3.1Å; A402-D404 VanDerWaalsContact C-N 3.32Å; A402-D404 PolarHBondContact O-N 2.91Å; A402-R405 PolarHBondContact O-N 3.44Å; A402-E406 PolarHBondContact O-N 3.49Å; A402-E406 VanDerWaalsContact O-N 3.08Å
403	V	72.3	Confident	72.8	Confident	25 Å²	25	83.5 Å²	83.5	15%	0.152	40%	0.397	C	S	.	.	H	α-helix	trans	-62.7	-39.8	174.8	169.7	0	0	0	0	111	L231 Q399 V400 R405 E406 I407	L231-V403 HydrophobicContact CB-CG1 4.2Å; L231-V403 HydrophobicContact CD2-CG1 4.24Å; Q399-V403 WeakPolarHBondContact O-CG2 3.37Å; Q399-V403 PolarHBondContact O-N 3.48Å; V400-V403 PolarHBondContact O-N 3.35Å; V403-R405 PolarHBondContact O-N 3.47Å; V403-E406 PolarHBondContact O-N 3.01Å; V403-I407 HydrophobicContact CG1-CD1 3.8Å; V403-I407 HydrophobicContact CG1-CG1 4.34Å; V403-I407 VanDerWaalsContact O-CG1 3.31Å; V403-I407 WeakPolarHBondContact O-CG1 3.49Å; V403-I407 PolarHBondContact O-N 3.08Å
404	D	69.7	Low	73.4	Confident	45 Å²	45	81.9 Å²	81.9	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-64.6	-39.6	177.4	-87.8	-11.8	0	0	0	113.1	K235 V400 L401 A402 I407 Q408	K235-D404 VanDerWaalsContact CD-OD1 3.31Å; K235-D404 WeakPolarHBondContact CD-OD1 3.49Å; K235-D404 WeakPolarHBondContact CE-OD1 2.9Å; K235-D404 WeakPolarHBondContact CE-OD2 2.93Å; K235-D404 IonicContact NZ-OD1 2.8Å; K235-D404 PolarHBondContact NZ-OD1 2.97Å; K235-D404 IonicContact NZ-OD2 3.04Å; K235-D404 PolarHBondContact NZ-OD2 3.36Å; V400-D404 PolarHBondContact O-N 3.27Å; L401-D404 PolarHBondContact O-N 3.34Å; A402-D404 VanDerWaalsContact C-N 3.32Å; A402-D404 PolarHBondContact O-N 2.91Å; D404-I407 PolarHBondContact O-N 3.5Å; D404-Q408 WeakPolarHBondContact O-CG 3.24Å; D404-Q408 PolarHBondContact O-N 3.49Å
405	R	77.9	Confident	73.7	Confident	189 Å²	189	80.2 Å²	80.2	71%	0.713	39%	0.389	S	S	*	.	H	α-helix	trans	-63.8	-41.4	172.9	-70.6	179.4	-172.1	-179.9	3	111.9	L401 A402 V403 Q408 Q409	L401-R405 WeakPolarHBondContact O-CG 3.44Å; L401-R405 PolarHBondContact O-N 2.97Å; L401-R405 VanDerWaalsContact O-N 3.11Å; A402-R405 PolarHBondContact O-N 3.44Å; V403-R405 PolarHBondContact O-N 3.47Å; R405-Q408 PolarHBondContact O-N 3.36Å; R405-Q409 PolarHBondContact O-N 3.02Å
406	E	77	Confident	74	Confident	61 Å²	61	80.1 Å²	80.1	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-65	-39.3	176.2	-170.8	177.6	174.4	0	0	111.8	R227 L231 A402 V403 Q409 Q410	R227-E406 IonicContact CZ-OE1 3.89Å; R227-E406 IonicContact NE-OE1 3.68Å; R227-E406 PolarHBondContact NE-OE1 2.89Å; R227-E406 IonicContact NH2-OE1 3.22Å; R227-E406 PolarHBondContact NH2-OE1 3.25Å; L231-E406 HydrophobicContact CD1-CG 4.01Å; A402-E406 PolarHBondContact O-N 3.49Å; A402-E406 VanDerWaalsContact O-N 3.08Å; V403-E406 PolarHBondContact O-N 3.01Å; E406-Q409 PolarHBondContact O-N 3.36Å; E406-Q410 WeakPolarHBondContact O-CG 3.31Å; E406-Q410 PolarHBondContact O-N 2.82Å; E406-Q410 PolarHBondContact OE1-NE2 3.34Å
407	I	71.6	Confident	74.6	Confident	17 Å²	17	85 Å²	85	9%	0.087	41%	0.406	C	S	.	.	H	α-helix	trans	-64.6	-42.2	175	-69.7	169.1	0	0	0	110.9	H228 L231 V403 D404 Q410 R411	H228-I407 PolarHBondContact CE1-O 3.44Å; L231-I407 HydrophobicContact CB-CD1 4.06Å; L231-I407 HydrophobicContact CB-CG1 3.92Å; L231-I407 HydrophobicContact CD1-CG1 4.28Å; V403-I407 HydrophobicContact CG1-CD1 3.8Å; V403-I407 HydrophobicContact CG1-CG1 4.34Å; V403-I407 VanDerWaalsContact O-CG1 3.31Å; V403-I407 WeakPolarHBondContact O-CG1 3.49Å; V403-I407 PolarHBondContact O-N 3.08Å; D404-I407 PolarHBondContact O-N 3.5Å; I407-Q410 PolarHBondContact O-N 3.35Å; I407-R411 WeakPolarHBondContact O-CG 3.38Å; I407-R411 PolarHBondContact O-N 3.11Å
408	Q	75.8	Confident	74.8	Confident	136 Å²	136	84.2 Å²	84.2	64%	0.636	41%	0.406	S	S	*	.	H	α-helix	trans	-63.9	-43.7	177.3	-76.2	-178.7	-16	0	0	111.9	D404 R405 R411 Q412	D404-Q408 WeakPolarHBondContact O-CG 3.24Å; D404-Q408 PolarHBondContact O-N 3.49Å; R405-Q408 PolarHBondContact O-N 3.36Å; Q408-R411 PolarHBondContact O-N 3.49Å; Q408-Q412 PolarHBondContact O-N 2.88Å; Q408-Q412 VanDerWaalsContact O-N 3.12Å
409	Q	80.5	Confident	75.1	Confident	115 Å²	115	81.7 Å²	81.7	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-60.5	-47.6	176.6	-175.7	-178.6	-11.8	0	0	111.7	R405 E406 R411 Q412 E413	R405-Q409 PolarHBondContact O-N 3.02Å; E406-Q409 PolarHBondContact O-N 3.36Å; Q409-R411 VanDerWaalsContact C-N 3.29Å; Q409-R411 PolarHBondContact O-N 3.45Å; Q409-Q412 PolarHBondContact O-N 2.95Å; Q409-E413 PolarHBondContact NE2-OE1 2.88Å; Q409-E413 WeakPolarHBondContact O-CG 3.15Å; Q409-E413 PolarHBondContact O-N 3.42Å
410	Q	72.7	Confident	75.3	Confident	13 Å²	13	84.5 Å²	84.5	6%	0.061	41%	0.411	C	S	.	.	H	α-helix	trans	-65.7	-31	178.9	-73.1	176.3	10.3	0	0	112.8	R227 H228 E406 I407 N414	R227-Q410 VanDerWaalsContact NE-NE2 3.2Å; H228-Q410 WeakPolarHBondContact CE1-CB 3.42Å; H228-Q410 PolarHBondContact ND1-OE1 3.35Å; H228-Q410 VanDerWaalsContact NE2-C 3.31Å; H228-Q410 WeakPolarHBondContact NE2-CB 3.19Å; H228-Q410 PolarHBondContact NE2-O 2.86Å; E406-Q410 WeakPolarHBondContact O-CG 3.31Å; E406-Q410 PolarHBondContact O-N 2.82Å; E406-Q410 PolarHBondContact OE1-NE2 3.34Å; I407-Q410 PolarHBondContact O-N 3.35Å; Q410-N414 VanDerWaalsContact O-CB 3.31Å; Q410-N414 WeakPolarHBondContact O-CB 3.36Å; Q410-N414 VanDerWaalsContact O-CG 3.27Å; Q410-N414 PolarHBondContact O-N 3.21Å; Q410-N414 PolarHBondContact O-ND2 3.4Å; Q410-N414 VanDerWaalsContact O-ND2 3.07Å
411	R	73.3	Confident	75.7	Confident	173 Å²	173	89.8 Å²	89.8	65%	0.653	43%	0.432	S	S	*	.	H	α-helix	trans	-65.3	-41.6	173.7	-80	-179.5	178.9	-175.2	-0.3	111.6	H228 I407 Q408 Q409 N414 A415	H228-R411 PolarHBondContact NE2-N 3.46Å; I407-R411 WeakPolarHBondContact O-CG 3.38Å; I407-R411 PolarHBondContact O-N 3.11Å; Q408-R411 PolarHBondContact O-N 3.49Å; Q409-R411 VanDerWaalsContact C-N 3.29Å; Q409-R411 PolarHBondContact O-N 3.45Å; R411-N414 PolarHBondContact O-N 2.9Å; R411-A415 WeakPolarHBondContact O-CB 3.44Å; R411-A415 PolarHBondContact O-N 3.43Å
412	Q	80	Confident	75.7	Confident	127 Å²	127	88.1 Å²	88.1	59%	0.593	43%	0.429	S	S	*	.	H	α-helix	trans	-65	-47.5	176.2	-173.3	173.3	-5	0	0	111	Q408 Q409 N414 A415 E416	Q408-Q412 PolarHBondContact O-N 2.88Å; Q408-Q412 VanDerWaalsContact O-N 3.12Å; Q409-Q412 PolarHBondContact O-N 2.95Å; Q412-N414 VanDerWaalsContact C-N 3.33Å; Q412-N414 PolarHBondContact O-N 3.14Å; Q412-A415 PolarHBondContact O-N 2.96Å; Q412-E416 PolarHBondContact O-N 3.5Å; Q412-E416 VanDerWaalsContact O-N 3.08Å
413	E	77	Confident	76.1	Confident	79 Å²	79	88 Å²	88	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-58.5	-43.4	175.7	-70.1	174.1	-169.5	0	0	111.5	Q409 E416 Y417	Q409-E413 PolarHBondContact NE2-OE1 2.88Å; Q409-E413 WeakPolarHBondContact O-CG 3.15Å; Q409-E413 PolarHBondContact O-N 3.42Å; E413-E416 PolarHBondContact O-N 2.86Å; E413-Y417 WeakPolarHBondContact O-CD2 3.48Å; E413-Y417 PolarHBondContact O-N 3.47Å
414	N	75.4	Confident	76.6	Confident	29 Å²	29	90.3 Å²	90.3	16%	0.155	44%	0.441	C	S	.	.	H	α-helix	trans	-67.7	-35.4	178.3	-77.5	-36.5	0	0	0	113.7	T224 H228 Q410 R411 Q412 E416 Y417 L418	T224-N414 WeakPolarHBondContact CG2-OD1 3.12Å; H228-N414 PolarHBondContact CD2-ND2 2.9Å; H228-N414 PolarHBondContact NE2-ND2 3.28Å; Q410-N414 VanDerWaalsContact O-CB 3.31Å; Q410-N414 WeakPolarHBondContact O-CB 3.36Å; Q410-N414 VanDerWaalsContact O-CG 3.27Å; Q410-N414 PolarHBondContact O-N 3.21Å; Q410-N414 PolarHBondContact O-ND2 3.4Å; Q410-N414 VanDerWaalsContact O-ND2 3.07Å; R411-N414 PolarHBondContact O-N 2.9Å; Q412-N414 VanDerWaalsContact C-N 3.33Å; Q412-N414 PolarHBondContact O-N 3.14Å; N414-E416 VanDerWaalsContact C-N 3.34Å; N414-Y417 PolarHBondContact O-N 2.91Å; N414-L418 WeakPolarHBondContact O-CB 3.43Å; N414-L418 WeakPolarHBondContact O-CG 3.24Å; N414-L418 PolarHBondContact O-N 2.98Å
415	A	74.2	Confident	77	Confident	61 Å²	61	92.9 Å²	92.9	50%	0.504	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-43.2	174	0	0	0	0	0	110.9	R411 Q412 L418 A419	R411-A415 WeakPolarHBondContact O-CB 3.44Å; R411-A415 PolarHBondContact O-N 3.43Å; Q412-A415 PolarHBondContact O-N 2.96Å; A415-L418 PolarHBondContact O-N 3.37Å; A415-A419 WeakPolarHBondContact O-CB 3.4Å; A415-A419 PolarHBondContact O-N 3.48Å
416	E	79.6	Confident	77.2	Confident	86 Å²	86	89.4 Å²	89.4	40%	0.402	44%	0.444	S	S	.	.	H	α-helix	trans	-64.3	-41.5	174.9	-68.9	177.5	-159.9	0	0	112.3	Q412 E413 N414 A419 R420	Q412-E416 PolarHBondContact O-N 3.5Å; Q412-E416 VanDerWaalsContact O-N 3.08Å; E413-E416 PolarHBondContact O-N 2.86Å; N414-E416 VanDerWaalsContact C-N 3.34Å; E416-A419 PolarHBondContact O-N 2.93Å; E416-R420 WeakPolarHBondContact O-CG 3.28Å; E416-R420 PolarHBondContact O-N 3.39Å; E416-R420 IonicContact OE2-NH2 2.62Å
417	Y	76.8	Confident	77.7	Confident	126 Å²	126	92.4 Å²	92.4	49%	0.494	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-41.4	175.6	-86.3	-68.5	0	0	0	112.7	E413 N414 R420 F421	E413-Y417 WeakPolarHBondContact O-CD2 3.48Å; E413-Y417 PolarHBondContact O-N 3.47Å; N414-Y417 PolarHBondContact O-N 2.91Å; Y417-R420 PolarHBondContact O-N 3.45Å; Y417-F421 WeakPolarHBondContact O-CB 3.46Å; Y417-F421 PolarHBondContact O-N 3.27Å
418	L	74.2	Confident	78.2	Confident	101 Å²	101	96.2 Å²	96.2	53%	0.529	48%	0.478	S	S	.	.	H	α-helix	trans	-65.3	-42.1	177.2	-78.8	167.9	0	0	0	111.6	N414 A415 F421 S422	N414-L418 WeakPolarHBondContact O-CB 3.43Å; N414-L418 WeakPolarHBondContact O-CG 3.24Å; N414-L418 PolarHBondContact O-N 2.98Å; A415-L418 PolarHBondContact O-N 3.37Å; L418-F421 PolarHBondContact O-N 3.07Å; L418-S422 WeakPolarHBondContact O-CB 3.2Å; L418-S422 PolarHBondContact O-N 3.41Å
419	A	79.2	Confident	78.5	Confident	64 Å²	64	94.4 Å²	94.4	53%	0.529	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-45.4	175.6	0	0	0	0	0	111.7	A415 E416 S422 A423	A415-A419 WeakPolarHBondContact O-CB 3.4Å; A415-A419 PolarHBondContact O-N 3.48Å; E416-A419 PolarHBondContact O-N 2.93Å; A419-S422 PolarHBondContact O-N 2.83Å; A419-A423 PolarHBondContact O-N 3.23Å
420	R	78	Confident	78.8	Confident	149 Å²	149	96.1 Å²	96.1	56%	0.562	48%	0.478	S	S	*	.	H	α-helix	trans	-65.1	-40.6	176	-68.9	178	-162	-179.5	10	112.5	E416 Y417 S422 A423 V424	E416-R420 WeakPolarHBondContact O-CG 3.28Å; E416-R420 PolarHBondContact O-N 3.39Å; E416-R420 IonicContact OE2-NH2 2.62Å; Y417-R420 PolarHBondContact O-N 3.45Å; R420-S422 VanDerWaalsContact C-N 3.34Å; R420-A423 PolarHBondContact O-N 3.25Å; R420-V424 WeakPolarHBondContact O-CG2 3.5Å; R420-V424 PolarHBondContact O-N 2.86Å
421	F	77.6	Confident	79.4	Confident	137 Å²	137	97.7 Å²	97.7	60%	0.601	49%	0.491	S	S	*	.	H	α-helix	trans	-63.1	-41.9	176.7	-179.5	-94.1	0	0	0	111.4	Y417 L418 V424 H425	Y417-F421 WeakPolarHBondContact O-CB 3.46Å; Y417-F421 PolarHBondContact O-N 3.27Å; L418-F421 PolarHBondContact O-N 3.07Å; F421-V424 PolarHBondContact O-N 3.28Å; F421-H425 VanDerWaalsContact O-CB 3.28Å; F421-H425 WeakPolarHBondContact O-CB 3.5Å; F421-H425 PolarHBondContact O-N 2.94Å
422	S	73.9	Confident	79.9	Confident	59 Å²	59	95.2 Å²	95.2	41%	0.413	49%	0.49	S	S	.	.	H	α-helix	trans	-61	-48.3	176.2	-159.1	0	0	0	0	111.4	L418 A419 R420 V424 H425 E426	L418-S422 WeakPolarHBondContact O-CB 3.2Å; L418-S422 PolarHBondContact O-N 3.41Å; A419-S422 PolarHBondContact O-N 2.83Å; R420-S422 VanDerWaalsContact C-N 3.34Å; S422-V424 PolarHBondContact O-N 2.71Å; S422-H425 PolarHBondContact O-N 3.39Å; S422-H425 VanDerWaalsContact O-N 3.16Å; S422-E426 PolarHBondContact O-N 3.07Å
423	A	81.9	Confident	80.2	Confident	56 Å²	56	90.8 Å²	90.8	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-46.6	179	0	0	0	0	0	112.3	A419 R420 H425 E426 E427	A419-A423 PolarHBondContact O-N 3.23Å; R420-A423 PolarHBondContact O-N 3.25Å; A423-H425 VanDerWaalsContact C-N 3.31Å; A423-H425 PolarHBondContact O-N 3.24Å; A423-E426 PolarHBondContact O-N 2.9Å; A423-E427 WeakPolarHBondContact O-CB 3.41Å; A423-E427 PolarHBondContact O-N 2.94Å
424	V	81.7	Confident	80.7	Confident	73 Å²	73	92.6 Å²	92.6	44%	0.442	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-34.1	177	172	0	0	0	0	111.5	R420 F421 S422 N428	R420-V424 WeakPolarHBondContact O-CG2 3.5Å; R420-V424 PolarHBondContact O-N 2.86Å; F421-V424 PolarHBondContact O-N 3.28Å; S422-V424 PolarHBondContact O-N 2.71Å; V424-N428 WeakPolarHBondContact CG1-ND2 3.44Å; V424-N428 WeakPolarHBondContact O-CB 3.4Å; V424-N428 PolarHBondContact O-N 3.28Å; V424-N428 PolarHBondContact O-ND2 2.98Å
425	H	78.8	Confident	81.2	Confident	99 Å²	99	96.4 Å²	96.4	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-68.7	-41.7	177.7	-167.4	46.6	0	0	0	111.8	F421 S422 A423 N428 L429	F421-H425 VanDerWaalsContact O-CB 3.28Å; F421-H425 WeakPolarHBondContact O-CB 3.5Å; F421-H425 PolarHBondContact O-N 2.94Å; S422-H425 PolarHBondContact O-N 3.39Å; S422-H425 VanDerWaalsContact O-N 3.16Å; A423-H425 VanDerWaalsContact C-N 3.31Å; A423-H425 PolarHBondContact O-N 3.24Å; H425-N428 PolarHBondContact O-N 3.48Å; H425-L429 WeakPolarHBondContact O-CG 3.24Å; H425-L429 PolarHBondContact O-N 3.2Å
426	E	82.8	Confident	81.7	Confident	116 Å²	116	96.8 Å²	96.8	54%	0.542	51%	0.505	S	S	.	.	H	α-helix	trans	-64.1	-42.6	174.2	-74.3	176.8	-169.3	0	0	112.2	S422 A423 L429 K430	S422-E426 PolarHBondContact O-N 3.07Å; A423-E426 PolarHBondContact O-N 2.9Å; E426-L429 PolarHBondContact O-N 3.36Å; E426-K430 PolarHBondContact O-N 3.01Å
427	E	86.1	Confident	82.1	Confident	125 Å²	125	96 Å²	96	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-59.8	-47	174.6	-172.8	179.9	-173.1	0	0	111.4	A423 L429 K430 S431	A423-E427 WeakPolarHBondContact O-CB 3.41Å; A423-E427 PolarHBondContact O-N 2.94Å; E427-L429 VanDerWaalsContact C-N 3.3Å; E427-L429 PolarHBondContact O-N 3.46Å; E427-K430 WeakPolarHBondContact O-CB 3.43Å; E427-K430 PolarHBondContact O-N 3.34Å; E427-S431 PolarHBondContact O-N 3.4Å; E427-S431 PolarHBondContact O-OG 3.01Å
428	N	83.1	Confident	82.7	Confident	97 Å²	97	95.5 Å²	95.5	52%	0.519	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-35.2	176.4	-77.6	-56.9	0	0	0	113	V424 H425 L432	V424-N428 WeakPolarHBondContact CG1-ND2 3.44Å; V424-N428 WeakPolarHBondContact O-CB 3.4Å; V424-N428 PolarHBondContact O-N 3.28Å; V424-N428 PolarHBondContact O-ND2 2.98Å; H425-N428 PolarHBondContact O-N 3.48Å; N428-L432 VanDerWaalsContact O-CB 3.28Å; N428-L432 WeakPolarHBondContact O-CB 3.25Å; N428-L432 PolarHBondContact O-N 2.9Å
429	L	81.1	Confident	83.3	Confident	98 Å²	98	95.3 Å²	95.3	51%	0.513	51%	0.508	S	S	.	.	H	α-helix	trans	-67.1	-39.3	175.7	-76.3	169.8	0	0	0	111.5	H425 E426 E427 L432 G433	H425-L429 WeakPolarHBondContact O-CG 3.24Å; H425-L429 PolarHBondContact O-N 3.2Å; E426-L429 PolarHBondContact O-N 3.36Å; E427-L429 VanDerWaalsContact C-N 3.3Å; E427-L429 PolarHBondContact O-N 3.46Å; L429-L432 PolarHBondContact O-N 3.48Å; L429-G433 PolarHBondContact O-N 3.49Å
430	K	87.5	Confident	83.6	Confident	150 Å²	150	96.2 Å²	96.2	65%	0.652	51%	0.507	S	S	*	.	H	α-helix	trans	-62.2	-50.5	173.3	-70.7	-178.6	-178.2	-177.3	0	111.4	E426 E427 L432 G433 E434	E426-K430 PolarHBondContact O-N 3.01Å; E427-K430 WeakPolarHBondContact O-CB 3.43Å; E427-K430 PolarHBondContact O-N 3.34Å; K430-L432 VanDerWaalsContact C-N 3.3Å; K430-L432 PolarHBondContact O-N 2.89Å; K430-G433 WeakPolarHBondContact O-CA 3.22Å; K430-G433 PolarHBondContact O-N 3.39Å; K430-E434 PolarHBondContact O-N 2.95Å
431	S	85.3	Confident	84.2	Confident	47 Å²	47	94.9 Å²	94.9	33%	0.329	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-35.2	178.1	-54.8	0	0	0	0	113	E427 G433 E434 L435	E427-S431 PolarHBondContact O-N 3.4Å; E427-S431 PolarHBondContact O-OG 3.01Å; S431-G433 VanDerWaalsContact C-N 3.35Å; S431-E434 PolarHBondContact O-N 2.97Å; S431-L435 WeakPolarHBondContact O-CB 3.44Å; S431-L435 WeakPolarHBondContact O-CG 3.48Å; S431-L435 PolarHBondContact O-N 3.23Å
432	L	83.3	Confident	84.6	Confident	121 Å²	121	91 Å²	91	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-67.3	-37.2	174.4	-167.4	112.4	0	0	0	111.6	N428 L429 K430 S436	N428-L432 VanDerWaalsContact O-CB 3.28Å; N428-L432 WeakPolarHBondContact O-CB 3.25Å; N428-L432 PolarHBondContact O-N 2.9Å; L429-L432 PolarHBondContact O-N 3.48Å; K430-L432 VanDerWaalsContact C-N 3.3Å; K430-L432 PolarHBondContact O-N 2.89Å; L432-S436 WeakPolarHBondContact O-CB 3.39Å; L432-S436 PolarHBondContact O-N 2.98Å
433	G	85.9	Confident	85.3	Confident	34 Å²	34	94.6 Å²	94.6	35%	0.351	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-50.8	171.9	0	0	0	0	0	112	L429 K430 S431 L435 S436 T437	L429-G433 PolarHBondContact O-N 3.49Å; K430-G433 WeakPolarHBondContact O-CA 3.22Å; K430-G433 PolarHBondContact O-N 3.39Å; S431-G433 VanDerWaalsContact C-N 3.35Å; G433-L435 PolarHBondContact O-N 2.96Å; G433-S436 WeakPolarHBondContact O-CB 3.45Å; G433-S436 PolarHBondContact O-N 3.12Å; G433-S436 VanDerWaalsContact O-N 3.14Å; G433-T437 PolarHBondContact O-N 3.32Å; G433-T437 PolarHBondContact O-OG1 3.3Å; G433-T437 VanDerWaalsContact O-OG1 3.08Å
434	E	88.7	Confident	85.6	Confident	117 Å²	117	97 Å²	97	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-58.1	-46.8	177.1	-70.3	167.2	-172	0	0	112.2	K430 S431 S436 T437 Q438	K430-E434 PolarHBondContact O-N 2.95Å; S431-E434 PolarHBondContact O-N 2.97Å; E434-S436 VanDerWaalsContact C-N 3.3Å; E434-S436 PolarHBondContact O-N 3.26Å; E434-T437 PolarHBondContact O-N 3.05Å; E434-Q438 WeakPolarHBondContact O-CG 3.36Å; E434-Q438 PolarHBondContact O-N 2.79Å
435	L	86	Confident	85.9	Confident	109 Å²	109	98.1 Å²	98.1	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-63.3	-35.7	176.4	-76	171.4	0	0	0	112.5	S431 G433 L439	S431-L435 WeakPolarHBondContact O-CB 3.44Å; S431-L435 WeakPolarHBondContact O-CG 3.48Å; S431-L435 PolarHBondContact O-N 3.23Å; G433-L435 PolarHBondContact O-N 2.96Å; L435-L439 VanDerWaalsContact O-CB 3.29Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 PolarHBondContact O-N 3.39Å
436	S	85.1	Confident	86.3	Confident	68 Å²	68	98 Å²	98	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-43.9	175.2	-174.3	0	0	0	0	111.1	L432 G433 E434 L439 T440	L432-S436 WeakPolarHBondContact O-CB 3.39Å; L432-S436 PolarHBondContact O-N 2.98Å; G433-S436 WeakPolarHBondContact O-CB 3.45Å; G433-S436 PolarHBondContact O-N 3.12Å; G433-S436 VanDerWaalsContact O-N 3.14Å; E434-S436 VanDerWaalsContact C-N 3.3Å; E434-S436 PolarHBondContact O-N 3.26Å; S436-L439 PolarHBondContact O-N 2.92Å; S436-T440 PolarHBondContact O-N 3.31Å; S436-T440 PolarHBondContact O-OG1 3.48Å
437	T	87.8	Confident	86.6	Confident	71 Å²	71	97.3 Å²	97.3	44%	0.436	52%	0.522	S	S	.	.	H	α-helix	trans	-64.3	-47	177.7	-50.3	0	0	0	0	111.2	G433 E434 L439 T440 E441	G433-T437 PolarHBondContact O-N 3.32Å; G433-T437 PolarHBondContact O-OG1 3.3Å; G433-T437 VanDerWaalsContact O-OG1 3.08Å; E434-T437 PolarHBondContact O-N 3.05Å; T437-L439 VanDerWaalsContact C-N 3.29Å; T437-L439 PolarHBondContact O-N 3.39Å; T437-T440 WeakPolarHBondContact CA-OG1 3.31Å; T437-T440 PolarHBondContact O-N 2.93Å; T437-T440 VanDerWaalsContact O-N 3.1Å; T437-T440 PolarHBondContact O-OG1 3.03Å; T437-E441 WeakPolarHBondContact O-CG 3.36Å; T437-E441 PolarHBondContact O-N 3.44Å
438	Q	88.4	Confident	86.5	Confident	114 Å²	114	96.1 Å²	96.1	53%	0.533	52%	0.517	S	S	.	.	H	α-helix	trans	-59.6	-39.1	175.5	-72.1	175.7	5.7	0	0	112.1	E434 E441 A442	E434-Q438 WeakPolarHBondContact O-CG 3.36Å; E434-Q438 PolarHBondContact O-N 2.79Å; Q438-E441 PolarHBondContact O-N 2.93Å; Q438-A442 VanDerWaalsContact O-CB 3.3Å; Q438-A442 WeakPolarHBondContact O-CB 3.4Å; Q438-A442 PolarHBondContact O-N 3.48Å
439	L	86.6	Confident	86.7	Confident	98 Å²	98	95.8 Å²	95.8	51%	0.513	52%	0.515	S	S	.	.	H	α-helix	trans	-66.7	-38	176.1	-178	64.2	0	0	0	111.9	L435 S436 T437 K443	L435-L439 VanDerWaalsContact O-CB 3.29Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 PolarHBondContact O-N 3.39Å; S436-L439 PolarHBondContact O-N 2.92Å; T437-L439 VanDerWaalsContact C-N 3.29Å; T437-L439 PolarHBondContact O-N 3.39Å; L439-K443 WeakPolarHBondContact O-CB 3.48Å; L439-K443 VanDerWaalsContact O-CG 3.29Å; L439-K443 WeakPolarHBondContact O-CG 3.35Å; L439-K443 PolarHBondContact O-N 3.24Å
440	T	86.7	Confident	86.9	Confident	82 Å²	82	95.8 Å²	95.8	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-68.2	-41	175.7	46.9	0	0	0	0	112.3	S436 T437 K443 L444	S436-T440 PolarHBondContact O-N 3.31Å; S436-T440 PolarHBondContact O-OG1 3.48Å; T437-T440 WeakPolarHBondContact CA-OG1 3.31Å; T437-T440 PolarHBondContact O-N 2.93Å; T437-T440 VanDerWaalsContact O-N 3.1Å; T437-T440 PolarHBondContact O-OG1 3.03Å; T440-K443 PolarHBondContact O-N 3.07Å; T440-L444 PolarHBondContact O-N 3.47Å
441	E	89.6	Confident	86.9	Confident	121 Å²	121	94 Å²	94	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-62.6	-46.6	174.8	-71.8	170.4	-176.4	0	0	111.2	T437 Q438 K443 L444 L445	T437-E441 WeakPolarHBondContact O-CG 3.36Å; T437-E441 PolarHBondContact O-N 3.44Å; Q438-E441 PolarHBondContact O-N 2.93Å; E441-K443 VanDerWaalsContact C-N 3.32Å; E441-K443 PolarHBondContact O-N 2.84Å; E441-L444 PolarHBondContact O-N 3.15Å; E441-L444 VanDerWaalsContact O-N 3.16Å; E441-L445 PolarHBondContact O-N 3.33Å
442	A	86.8	Confident	86.9	Confident	57 Å²	57	97.2 Å²	97.2	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-37.4	177.1	0	0	0	0	0	112.6	Q438 N446	Q438-A442 VanDerWaalsContact O-CB 3.3Å; Q438-A442 WeakPolarHBondContact O-CB 3.4Å; Q438-A442 PolarHBondContact O-N 3.48Å; A442-N446 WeakPolarHBondContact O-CB 3.47Å; A442-N446 PolarHBondContact O-N 2.9Å
443	K	88.6	Confident	87.1	Confident	134 Å²	134	97 Å²	97	58%	0.583	51%	0.509	S	S	*	.	H	α-helix	trans	-66.1	-40.8	174.1	-79	179.3	177.7	-172.4	0	112.1	L439 T440 E441 N446 V447	L439-K443 WeakPolarHBondContact O-CB 3.48Å; L439-K443 VanDerWaalsContact O-CG 3.29Å; L439-K443 WeakPolarHBondContact O-CG 3.35Å; L439-K443 PolarHBondContact O-N 3.24Å; T440-K443 PolarHBondContact O-N 3.07Å; E441-K443 VanDerWaalsContact C-N 3.32Å; E441-K443 PolarHBondContact O-N 2.84Å; K443-N446 PolarHBondContact O-N 3.26Å; K443-V447 WeakPolarHBondContact O-CG2 3.43Å; K443-V447 PolarHBondContact O-N 3.49Å; K443-V447 VanDerWaalsContact O-N 3.11Å
444	L	87.6	Confident	87.1	Confident	106 Å²	106	98.4 Å²	98.4	56%	0.555	51%	0.514	S	S	*	.	H	α-helix	trans	-65.4	-46.4	178.3	-170.2	134.8	0	0	0	110.8	T440 E441 N446 V447 E448	T440-L444 PolarHBondContact O-N 3.47Å; E441-L444 PolarHBondContact O-N 3.15Å; E441-L444 VanDerWaalsContact O-N 3.16Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.32Å; L444-V447 PolarHBondContact O-N 2.89Å; L444-V447 VanDerWaalsContact O-N 3.12Å; L444-E448 VanDerWaalsContact CD2-OE1 3.27Å; L444-E448 WeakPolarHBondContact CD2-OE1 3.38Å; L444-E448 PolarHBondContact O-N 3.37Å
445	L	88.9	Confident	87	Confident	96 Å²	96	96.1 Å²	96.1	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-58.7	-40.8	174	-174.1	71.2	0	0	0	112.1	E441 V447 E448 L449	E441-L445 PolarHBondContact O-N 3.33Å; L445-V447 VanDerWaalsContact C-N 3.3Å; L445-V447 PolarHBondContact O-N 3.22Å; L445-E448 PolarHBondContact O-N 3.46Å; L445-L449 HydrophobicContact CG-CD1 4.26Å; L445-L449 WeakPolarHBondContact O-CG 3.17Å; L445-L449 PolarHBondContact O-N 2.94Å
446	N	87.6	Confident	86.9	Confident	97 Å²	97	96.3 Å²	96.3	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-34.5	178	-168.2	67.8	0	0	0	112.4	A442 K443 L444 E450	A442-N446 WeakPolarHBondContact O-CB 3.47Å; A442-N446 PolarHBondContact O-N 2.9Å; K443-N446 PolarHBondContact O-N 3.26Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.32Å; N446-E450 PolarHBondContact O-N 3.06Å
447	V	87.1	Confident	87	Confident	102 Å²	102	98.2 Å²	98.2	62%	0.618	51%	0.507	S	S	*	.	H	α-helix	trans	-68.9	-41.6	174.1	171.5	0	0	0	0	110.9	K443 L444 L445 E450 H451	K443-V447 WeakPolarHBondContact O-CG2 3.43Å; K443-V447 PolarHBondContact O-N 3.49Å; K443-V447 VanDerWaalsContact O-N 3.11Å; L444-V447 PolarHBondContact O-N 2.89Å; L444-V447 VanDerWaalsContact O-N 3.12Å; L445-V447 VanDerWaalsContact C-N 3.3Å; L445-V447 PolarHBondContact O-N 3.22Å; V447-E450 PolarHBondContact O-N 2.96Å; V447-H451 PolarHBondContact O-N 2.98Å
448	E	85.2	Confident	87	Confident	100 Å²	100	99.1 Å²	99.1	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-60.6	-45	174.7	-70.3	173.8	168.9	0	0	111.4	L444 L445 H451 E452	L444-E448 VanDerWaalsContact CD2-OE1 3.27Å; L444-E448 WeakPolarHBondContact CD2-OE1 3.38Å; L444-E448 PolarHBondContact O-N 3.37Å; L445-E448 PolarHBondContact O-N 3.46Å; E448-H451 PolarHBondContact O-N 3.34Å; E448-E452 PolarHBondContact O-N 2.97Å
449	L	86.5	Confident	86.9	Confident	90 Å²	90	100.2 Å²	100.2	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-39.4	177.5	-72.5	173	0	0	0	113.3	L445 H451 E452 K453	L445-L449 HydrophobicContact CG-CD1 4.26Å; L445-L449 WeakPolarHBondContact O-CG 3.17Å; L445-L449 PolarHBondContact O-N 2.94Å; L449-H451 VanDerWaalsContact C-N 3.32Å; L449-E452 PolarHBondContact O-N 3.48Å; L449-K453 VanDerWaalsContact O-CB 3.27Å; L449-K453 WeakPolarHBondContact O-CB 3.38Å; L449-K453 PolarHBondContact O-N 3.02Å
450	E	86.1	Confident	86.9	Confident	98 Å²	98	100.9 Å²	100.9	46%	0.458	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-35.3	173.9	-76.9	-69	171.8	0	0	111.5	N446 V447 K453 S454	N446-E450 PolarHBondContact O-N 3.06Å; V447-E450 PolarHBondContact O-N 2.96Å; E450-K453 IonicContact OE1-NZ 3.28Å; E450-K453 IonicContact OE2-NZ 2.71Å; E450-K453 PolarHBondContact OE2-NZ 3.04Å; E450-S454 WeakPolarHBondContact O-CB 3.46Å; E450-S454 PolarHBondContact O-N 3.23Å
451	H	87.3	Confident	87	Confident	113 Å²	113	102.2 Å²	102.2	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-45.7	173.7	-176.9	60.1	0	0	0	112.1	V447 E448 L449 K453 S454 L455	V447-H451 PolarHBondContact O-N 2.98Å; E448-H451 PolarHBondContact O-N 3.34Å; L449-H451 VanDerWaalsContact C-N 3.32Å; H451-K453 VanDerWaalsContact C-N 3.31Å; H451-K453 PolarHBondContact O-N 3.29Å; H451-S454 WeakPolarHBondContact O-CB 3.35Å; H451-S454 PolarHBondContact O-N 2.9Å; H451-L455 PolarHBondContact O-N 3.32Å
452	E	84.9	Confident	86.9	Confident	113 Å²	113	101 Å²	101	53%	0.528	51%	0.514	S	S	.	.	H	α-helix	trans	-59.6	-42.1	174.7	-75.7	-172.1	165.4	0	0	111.9	E448 L449 S454 L455 I456	E448-E452 PolarHBondContact O-N 2.97Å; L449-E452 PolarHBondContact O-N 3.48Å; E452-S454 PolarHBondContact O-N 3.36Å; E452-L455 PolarHBondContact O-N 3.01Å; E452-I456 VanDerWaalsContact O-CG1 3.27Å; E452-I456 WeakPolarHBondContact O-CG1 3.1Å; E452-I456 PolarHBondContact O-N 3.47Å
453	K	87.5	Confident	86.6	Confident	117 Å²	117	100.6 Å²	100.6	51%	0.509	51%	0.511	S	S	.	.	H	α-helix	trans	-60.9	-43.7	174.8	178.7	-176.8	162.1	-155.5	0	111.7	L449 E450 H451 I456 Q457	L449-K453 VanDerWaalsContact O-CB 3.27Å; L449-K453 WeakPolarHBondContact O-CB 3.38Å; L449-K453 PolarHBondContact O-N 3.02Å; E450-K453 IonicContact OE1-NZ 3.28Å; E450-K453 IonicContact OE2-NZ 2.71Å; E450-K453 PolarHBondContact OE2-NZ 3.04Å; H451-K453 VanDerWaalsContact C-N 3.31Å; H451-K453 PolarHBondContact O-N 3.29Å; K453-I456 PolarHBondContact O-N 3.49Å; K453-Q457 WeakPolarHBondContact O-CB 3.3Å; K453-Q457 PolarHBondContact O-N 2.88Å
454	S	87.1	Confident	86.5	Confident	63 Å²	63	97.3 Å²	97.3	44%	0.441	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-43.7	174.8	-168.9	0	0	0	0	111.7	E450 H451 E452 Q457 E458	E450-S454 WeakPolarHBondContact O-CB 3.46Å; E450-S454 PolarHBondContact O-N 3.23Å; H451-S454 WeakPolarHBondContact O-CB 3.35Å; H451-S454 PolarHBondContact O-N 2.9Å; E452-S454 PolarHBondContact O-N 3.36Å; S454-Q457 WeakPolarHBondContact O-CB 3.34Å; S454-Q457 PolarHBondContact O-N 3.44Å; S454-E458 PolarHBondContact O-N 3.08Å
455	L	85.5	Confident	86.5	Confident	70 Å²	70	96 Å²	96	37%	0.366	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-39	178.4	-173.3	71.7	0	0	0	112.2	H451 E452 Q457 E458 K459	H451-L455 PolarHBondContact O-N 3.32Å; E452-L455 PolarHBondContact O-N 3.01Å; L455-Q457 VanDerWaalsContact C-N 3.33Å; L455-E458 PolarHBondContact O-N 2.9Å; L455-K459 WeakPolarHBondContact O-CG 3.13Å; L455-K459 PolarHBondContact O-N 3.23Å
456	I	83.7	Confident	86.1	Confident	113 Å²	113	93.2 Å²	93.2	58%	0.579	49%	0.492	S	S	*	.	H	α-helix	trans	-64.6	-41.1	174.5	-70.3	166.2	0	0	0	110.3	E452 K453 K459 L460	E452-I456 VanDerWaalsContact O-CG1 3.27Å; E452-I456 WeakPolarHBondContact O-CG1 3.1Å; E452-I456 PolarHBondContact O-N 3.47Å; K453-I456 PolarHBondContact O-N 3.49Å; I456-K459 PolarHBondContact O-N 3.4Å; I456-L460 WeakPolarHBondContact O-CB 3.49Å; I456-L460 PolarHBondContact O-N 2.91Å
457	Q	88.6	Confident	85.9	Confident	107 Å²	107	93.1 Å²	93.1	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-43.7	177.3	-171.8	171.5	-17.7	0	0	111.4	K453 S454 L455 L460 E461	K453-Q457 WeakPolarHBondContact O-CB 3.3Å; K453-Q457 PolarHBondContact O-N 2.88Å; S454-Q457 WeakPolarHBondContact O-CB 3.34Å; S454-Q457 PolarHBondContact O-N 3.44Å; L455-Q457 VanDerWaalsContact C-N 3.33Å; Q457-L460 WeakPolarHBondContact O-CB 3.34Å; Q457-L460 PolarHBondContact O-N 3.4Å; Q457-E461 WeakPolarHBondContact O-CG 3.49Å; Q457-E461 PolarHBondContact O-N 3.04Å
458	E	87.3	Confident	85.8	Confident	91 Å²	91	92.8 Å²	92.8	43%	0.425	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-45.5	174.6	-172.9	-176.1	178.4	0	0	112.1	S454 L455 L460 E461 V462	S454-E458 PolarHBondContact O-N 3.08Å; L455-E458 PolarHBondContact O-N 2.9Å; E458-L460 PolarHBondContact O-N 2.93Å; E458-E461 WeakPolarHBondContact O-CB 3.47Å; E458-E461 PolarHBondContact O-N 3.18Å; E458-E461 VanDerWaalsContact O-N 3.11Å; E458-V462 WeakPolarHBondContact O-CG2 3.49Å; E458-V462 PolarHBondContact O-N 3.12Å
459	K	86.5	Confident	85.8	Confident	136 Å²	136	90.4 Å²	90.4	59%	0.591	48%	0.484	S	S	*	.	H	α-helix	trans	-60.1	-35.8	175.1	-75.8	178.9	-178.4	176	0	112.3	L455 I456 A463	L455-K459 WeakPolarHBondContact O-CG 3.13Å; L455-K459 PolarHBondContact O-N 3.23Å; I456-K459 PolarHBondContact O-N 3.4Å; K459-A463 VanDerWaalsContact O-CB 3.26Å; K459-A463 WeakPolarHBondContact O-CB 3.4Å; K459-A463 PolarHBondContact O-N 3.06Å
460	L	86.9	Confident	85.4	Confident	113 Å²	113	91.7 Å²	91.7	59%	0.592	49%	0.486	S	S	*	.	H	α-helix	trans	-67.1	-41.4	175.1	-174.2	69.3	0	0	0	111.3	I456 Q457 E458 A463 T464	I456-L460 WeakPolarHBondContact O-CB 3.49Å; I456-L460 PolarHBondContact O-N 2.91Å; Q457-L460 WeakPolarHBondContact O-CB 3.34Å; Q457-L460 PolarHBondContact O-N 3.4Å; E458-L460 PolarHBondContact O-N 2.93Å; L460-A463 PolarHBondContact O-N 3.4Å; L460-T464 WeakPolarHBondContact O-CB 3.33Å; L460-T464 VanDerWaalsContact O-CG2 3.28Å; L460-T464 WeakPolarHBondContact O-CG2 3.48Å; L460-T464 PolarHBondContact O-N 3.25Å; L460-T464 PolarHBondContact O-OG1 2.82Å
461	E	88.4	Confident	85.1	Confident	110 Å²	110	95.1 Å²	95.1	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-41	175.6	-72.6	175.8	-168.3	0	0	112.3	Q457 E458 T464 S465	Q457-E461 WeakPolarHBondContact O-CG 3.49Å; Q457-E461 PolarHBondContact O-N 3.04Å; E458-E461 WeakPolarHBondContact O-CB 3.47Å; E458-E461 PolarHBondContact O-N 3.18Å; E458-E461 VanDerWaalsContact O-N 3.11Å; E461-T464 VanDerWaalsContact CA-OG1 3.3Å; E461-T464 WeakPolarHBondContact CA-OG1 3.45Å; E461-T464 PolarHBondContact O-OG1 2.98Å; E461-S465 WeakPolarHBondContact O-CB 3.44Å; E461-S465 PolarHBondContact O-N 3.33Å; E461-S465 PolarHBondContact O-OG 3.48Å
462	V	87.8	Confident	85	Confident	96 Å²	96	96.2 Å²	96.2	58%	0.582	50%	0.498	S	S	*	.	H	α-helix	trans	-66.6	-45.3	174.2	175.3	0	0	0	0	111.2	E458 T464 S465 A466	E458-V462 WeakPolarHBondContact O-CG2 3.49Å; E458-V462 PolarHBondContact O-N 3.12Å; V462-T464 PolarHBondContact O-N 2.98Å; V462-S465 PolarHBondContact O-N 2.91Å; V462-A466 WeakPolarHBondContact O-CB 3.42Å; V462-A466 PolarHBondContact O-N 3.3Å
463	A	79.7	Confident	84.9	Confident	48 Å²	48	96.3 Å²	96.3	40%	0.397	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-37.3	179.8	0	0	0	0	0	112.7	K459 L460 N467	K459-A463 VanDerWaalsContact O-CB 3.26Å; K459-A463 WeakPolarHBondContact O-CB 3.4Å; K459-A463 PolarHBondContact O-N 3.06Å; L460-A463 PolarHBondContact O-N 3.4Å; A463-N467 WeakPolarHBondContact O-CB 3.49Å; A463-N467 PolarHBondContact O-N 3.42Å; A463-N467 PolarHBondContact O-ND2 3.28Å
464	T	86	Confident	84.4	Confident	65 Å²	65	95.2 Å²	95.2	40%	0.399	50%	0.497	S	S	.	.	H	α-helix	trans	-67.3	-44.8	174.5	46.5	0	0	0	0	111.2	L460 E461 V462 A466 N467 D468	L460-T464 WeakPolarHBondContact O-CB 3.33Å; L460-T464 VanDerWaalsContact O-CG2 3.28Å; L460-T464 WeakPolarHBondContact O-CG2 3.48Å; L460-T464 PolarHBondContact O-N 3.25Å; L460-T464 PolarHBondContact O-OG1 2.82Å; E461-T464 VanDerWaalsContact CA-OG1 3.3Å; E461-T464 WeakPolarHBondContact CA-OG1 3.45Å; E461-T464 PolarHBondContact O-OG1 2.98Å; V462-T464 PolarHBondContact O-N 2.98Å; T464-A466 PolarHBondContact O-N 2.96Å; T464-N467 PolarHBondContact O-N 3.45Å; T464-D468 PolarHBondContact O-N 2.96Å
465	S	87.3	Confident	84.2	Confident	77 Å²	77	98 Å²	98	54%	0.538	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-42.1	174.6	-60	0	0	0	0	112.6	E461 V462 D468 A469	E461-S465 WeakPolarHBondContact O-CB 3.44Å; E461-S465 PolarHBondContact O-N 3.33Å; E461-S465 PolarHBondContact O-OG 3.48Å; V462-S465 PolarHBondContact O-N 2.91Å; S465-D468 PolarHBondContact O-N 3.44Å; S465-A469 PolarHBondContact O-N 3.17Å
466	A	81.9	Confident	84	Confident	39 Å²	39	100.3 Å²	100.3	32%	0.322	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-41.3	175.5	0	0	0	0	0	111.9	V462 T464 D468 A469 F470	V462-A466 WeakPolarHBondContact O-CB 3.42Å; V462-A466 PolarHBondContact O-N 3.3Å; T464-A466 PolarHBondContact O-N 2.96Å; A466-D468 VanDerWaalsContact C-N 3.34Å; A466-D468 PolarHBondContact O-N 3.46Å; A466-A469 PolarHBondContact O-N 3.35Å; A466-F470 HydrophobicContact CB-CE2 4.43Å; A466-F470 WeakPolarHBondContact O-CD2 3.27Å; A466-F470 WeakPolarHBondContact O-CG 3.38Å; A466-F470 PolarHBondContact O-N 3.42Å
467	N	82	Confident	83.5	Confident	95 Å²	95	100 Å²	100	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-62.4	-40	174.4	-87.9	-27.4	0	0	0	112.3	A463 T464 F470 R471	A463-N467 WeakPolarHBondContact O-CB 3.49Å; A463-N467 PolarHBondContact O-N 3.42Å; A463-N467 PolarHBondContact O-ND2 3.28Å; T464-N467 PolarHBondContact O-N 3.45Å; N467-F470 PolarHBondContact O-N 3.38Å; N467-R471 WeakPolarHBondContact O-CB 2.88Å; N467-R471 VanDerWaalsContact O-CG 3.31Å; N467-R471 WeakPolarHBondContact O-CG 3.37Å; N467-R471 PolarHBondContact O-N 2.99Å
468	D	86.2	Confident	82.8	Confident	95 Å²	95	99.8 Å²	99.8	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-66.6	-38.4	176	-75	-16.2	0	0	0	111.8	T464 S465 A466 R471 K472	T464-D468 PolarHBondContact O-N 2.96Å; S465-D468 PolarHBondContact O-N 3.44Å; A466-D468 VanDerWaalsContact C-N 3.34Å; A466-D468 PolarHBondContact O-N 3.46Å; D468-R471 PolarHBondContact O-N 3Å; D468-K472 PolarHBondContact O-N 3.43Å
469	A	84.7	Confident	82.3	Confident	49 Å²	49	99.8 Å²	99.8	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-64.2	-43.9	172.5	0	0	0	0	0	111.9	S465 A466 K472 Q473	S465-A469 PolarHBondContact O-N 3.17Å; A466-A469 PolarHBondContact O-N 3.35Å; A469-K472 PolarHBondContact O-N 3.16Å; A469-Q473 WeakPolarHBondContact O-CG 3.49Å; A469-Q473 PolarHBondContact O-N 3.24Å
470	F	77.7	Confident	81.4	Confident	117 Å²	117	99.5 Å²	99.5	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-38.9	174.9	-73.2	-48.3	0	0	0	112.2	A466 N467 K472 Q473 I474	A466-F470 HydrophobicContact CB-CE2 4.43Å; A466-F470 WeakPolarHBondContact O-CD2 3.27Å; A466-F470 WeakPolarHBondContact O-CG 3.38Å; A466-F470 PolarHBondContact O-N 3.42Å; N467-F470 PolarHBondContact O-N 3.38Å; F470-K472 PolarHBondContact O-N 2.89Å; F470-Q473 PolarHBondContact O-N 3.01Å; F470-I474 WeakPolarHBondContact O-CB 3.3Å; F470-I474 WeakPolarHBondContact O-CG1 3.43Å; F470-I474 PolarHBondContact O-N 3.5Å
471	R	79.6	Confident	80.2	Confident	170 Å²	170	100 Å²	100	64%	0.642	52%	0.519	S	S	*	.	H	α-helix	trans	-59.5	-45.9	174	-78.5	177.1	178.1	-149	1.5	111.3	N467 D468 I474 E475	N467-R471 WeakPolarHBondContact O-CB 2.88Å; N467-R471 VanDerWaalsContact O-CG 3.31Å; N467-R471 WeakPolarHBondContact O-CG 3.37Å; N467-R471 PolarHBondContact O-N 2.99Å; D468-R471 PolarHBondContact O-N 3Å; R471-I474 PolarHBondContact O-N 2.95Å; R471-E475 WeakPolarHBondContact O-CG 3.33Å; R471-E475 PolarHBondContact O-N 2.99Å
472	K	85.6	Confident	79	Confident	137 Å²	137	101.2 Å²	101.2	60%	0.596	53%	0.529	S	S	*	.	H	α-helix	trans	-60.9	-45.7	174.3	-74.8	-176.5	179.5	179.6	0	112.3	D468 A469 F470 I474 E475 E476	D468-K472 PolarHBondContact O-N 3.43Å; A469-K472 PolarHBondContact O-N 3.16Å; F470-K472 PolarHBondContact O-N 2.89Å; K472-I474 VanDerWaalsContact C-N 3.31Å; K472-I474 PolarHBondContact O-N 3.03Å; K472-E475 PolarHBondContact O-N 3.43Å; K472-E476 WeakPolarHBondContact O-CB 3.39Å; K472-E476 WeakPolarHBondContact O-CG 3.2Å; K472-E476 PolarHBondContact O-N 3.05Å
473	Q	82.7	Confident	77.8	Confident	114 Å²	114	100.9 Å²	100.9	53%	0.533	53%	0.531	S	S	.	.	H	α-helix	trans	-62.8	-37.2	176.9	-74.1	-179.8	-4.3	0	0	112.4	A469 F470 E476 L477	A469-Q473 WeakPolarHBondContact O-CG 3.49Å; A469-Q473 PolarHBondContact O-N 3.24Å; F470-Q473 PolarHBondContact O-N 3.01Å; Q473-E476 PolarHBondContact O-N 2.87Å; Q473-L477 VanDerWaalsContact O-CB 3.26Å; Q473-L477 WeakPolarHBondContact O-CB 3.28Å; Q473-L477 PolarHBondContact O-N 3.46Å
474	I	78.4	Confident	76.5	Confident	95 Å²	95	101.3 Å²	101.3	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-68	-40.9	175	-70.4	165.8	0	0	0	110.3	F470 R471 K472 L477 M478	F470-I474 WeakPolarHBondContact O-CB 3.3Å; F470-I474 WeakPolarHBondContact O-CG1 3.43Å; F470-I474 PolarHBondContact O-N 3.5Å; R471-I474 PolarHBondContact O-N 2.95Å; K472-I474 VanDerWaalsContact C-N 3.31Å; K472-I474 PolarHBondContact O-N 3.03Å; I474-L477 PolarHBondContact O-N 3.41Å; I474-M478 HydrophobicContact CG2-CE 4.27Å; I474-M478 HydrophobicContact CG2-CG 4.35Å; I474-M478 WeakPolarHBondContact O-CB 3.28Å; I474-M478 VanDerWaalsContact O-CG 3.3Å; I474-M478 WeakPolarHBondContact O-CG 3.41Å; I474-M478 PolarHBondContact O-N 2.97Å
475	E	81.7	Confident	74.3	Confident	122 Å²	122	107.1 Å²	107.1	57%	0.57	56%	0.557	S	S	*	*	H	α-helix	trans	-63.7	-42.2	174.3	-74.7	173.6	-174.5	0	0	112	R471 K472 M478 T479	R471-E475 WeakPolarHBondContact O-CG 3.33Å; R471-E475 PolarHBondContact O-N 2.99Å; K472-E475 PolarHBondContact O-N 3.43Å; E475-M478 PolarHBondContact O-N 3.06Å; E475-T479 WeakPolarHBondContact O-CG2 3.47Å; E475-T479 PolarHBondContact O-N 2.82Å; E475-T479 PolarHBondContact O-OG1 3Å
476	E	81.3	Confident	72.3	Confident	118 Å²	118	108.8 Å²	108.8	55%	0.551	56%	0.564	S	S	*	*	H	α-helix	trans	-63.1	-42.4	172.3	-74.3	174.3	-173	0	0	111.8	K472 Q473 T479 H480	K472-E476 WeakPolarHBondContact O-CB 3.39Å; K472-E476 WeakPolarHBondContact O-CG 3.2Å; K472-E476 PolarHBondContact O-N 3.05Å; Q473-E476 PolarHBondContact O-N 2.87Å; E476-T479 VanDerWaalsContact CA-OG1 3.27Å; E476-T479 WeakPolarHBondContact CA-OG1 3.46Å; E476-T479 PolarHBondContact O-N 3.02Å; E476-T479 PolarHBondContact O-OG1 2.86Å; E476-H480 WeakPolarHBondContact O-CB 3.35Å; E476-H480 PolarHBondContact O-CD2 3.37Å; E476-H480 PolarHBondContact O-N 3.27Å
477	L	73.4	Confident	70.5	Confident	106 Å²	106	113.1 Å²	113.1	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-68	-41.1	176.9	-170.1	72.8	0	0	0	111.5	Q473 I474 H480 M481	Q473-L477 VanDerWaalsContact O-CB 3.26Å; Q473-L477 WeakPolarHBondContact O-CB 3.28Å; Q473-L477 PolarHBondContact O-N 3.46Å; I474-L477 PolarHBondContact O-N 3.41Å; L477-H480 PolarHBondContact O-N 3.16Å; L477-M481 HydrophobicContact CG-SD 4.44Å; L477-M481 WeakPolarHBondContact O-CB 3.49Å; L477-M481 WeakPolarHBondContact O-CG 3.38Å; L477-M481 PolarHBondContact O-N 3.47Å
478	M	73.4	Confident	68.7	Low	102 Å²	102	116.1 Å²	116.1	50%	0.502	60%	0.603	S	S	.	*	H	α-helix	trans	-64.8	-40.3	175.8	-77.3	-159.8	-61.9	0	0	111.3	I474 E475 M481 N482	I474-M478 HydrophobicContact CG2-CE 4.27Å; I474-M478 HydrophobicContact CG2-CG 4.35Å; I474-M478 WeakPolarHBondContact O-CB 3.28Å; I474-M478 VanDerWaalsContact O-CG 3.3Å; I474-M478 WeakPolarHBondContact O-CG 3.41Å; I474-M478 PolarHBondContact O-N 2.97Å; E475-M478 PolarHBondContact O-N 3.06Å; M478-M481 PolarHBondContact O-N 3.25Å; M478-N482 VanDerWaalsContact O-CB 3.25Å; M478-N482 WeakPolarHBondContact O-CB 3.28Å; M478-N482 PolarHBondContact O-N 3.5Å; M478-N482 PolarHBondContact O-ND2 3.02Å; M478-N482 VanDerWaalsContact O-ND2 3.16Å
479	T	76.9	Confident	66.5	Low	91 Å²	91	117.6 Å²	117.6	56%	0.558	62%	0.618	S	S	*	*	H	α-helix	trans	-64.9	-40	173.2	45.5	0	0	0	0	111.6	E475 E476 N482 S483	E475-T479 WeakPolarHBondContact O-CG2 3.47Å; E475-T479 PolarHBondContact O-N 2.82Å; E475-T479 PolarHBondContact O-OG1 3Å; E476-T479 VanDerWaalsContact CA-OG1 3.27Å; E476-T479 WeakPolarHBondContact CA-OG1 3.46Å; E476-T479 PolarHBondContact O-N 3.02Å; E476-T479 PolarHBondContact O-OG1 2.86Å; T479-N482 PolarHBondContact O-N 3.07Å; T479-S483 WeakPolarHBondContact O-CB 3.3Å; T479-S483 PolarHBondContact O-N 3.28Å; T479-S483 PolarHBondContact O-OG 3.48Å
480	H	68.5	Low	64.5	Low	130 Å²	130	117.7 Å²	117.7	60%	0.602	62%	0.624	S	S	*	*	H	α-helix	trans	-62.8	-47.1	172.2	-90.6	-61.3	0	0	0	113	E476 L477 N482 S483 A484	E476-H480 WeakPolarHBondContact O-CB 3.35Å; E476-H480 PolarHBondContact O-CD2 3.37Å; E476-H480 PolarHBondContact O-N 3.27Å; L477-H480 PolarHBondContact O-N 3.16Å; H480-N482 PolarHBondContact O-N 3.3Å; H480-S483 WeakPolarHBondContact CA-OG 3.38Å; H480-S483 CarbonylContact O-C 3.45Å; H480-S483 WeakPolarHBondContact O-CA 3.43Å; H480-S483 PolarHBondContact O-N 2.93Å; H480-S483 PolarHBondContact O-OG 3.45Å; H480-A484 VanDerWaalsContact O-CB 3.28Å; H480-A484 WeakPolarHBondContact O-CB 3.35Å; H480-A484 PolarHBondContact O-N 2.87Å
481	M	60.4	Low	63	Low	125 Å²	125	120.2 Å²	120.2	62%	0.616	64%	0.637	S	S	*	*	H	α-helix	trans	-62.7	-41.4	177.1	-75.9	-177	60.6	0	0	111.9	L477 M478 S483 A484	L477-M481 HydrophobicContact CG-SD 4.44Å; L477-M481 WeakPolarHBondContact O-CB 3.49Å; L477-M481 WeakPolarHBondContact O-CG 3.38Å; L477-M481 PolarHBondContact O-N 3.47Å; M478-M481 PolarHBondContact O-N 3.25Å; M481-S483 PolarHBondContact O-N 3.28Å; M481-A484 CarbonylContact O-C 3.41Å; M481-A484 PolarHBondContact O-N 2.86Å
482	N	64.3	Low	61.6	Low	134 Å²	134	116.7 Å²	116.7	72%	0.717	64%	0.639	S	S	*	*	H	α-helix	trans	-66	-24.6	174.6	-69.4	-21	0	0	0	112.1	M478 T479 H480	M478-N482 VanDerWaalsContact O-CB 3.25Å; M478-N482 WeakPolarHBondContact O-CB 3.28Å; M478-N482 PolarHBondContact O-N 3.5Å; M478-N482 PolarHBondContact O-ND2 3.02Å; M478-N482 VanDerWaalsContact O-ND2 3.16Å; T479-N482 PolarHBondContact O-N 3.07Å; H480-N482 PolarHBondContact O-N 3.3Å
483	S	62.2	Low	59.9	Low	89 Å²	89	117.3 Å²	117.3	62%	0.622	64%	0.643	S	S	*	*	H	α-helix	trans	-89.3	-14.3	174.8	74.2	0	0	0	0	114.3	T479 H480 M481	T479-S483 WeakPolarHBondContact O-CB 3.3Å; T479-S483 PolarHBondContact O-N 3.28Å; T479-S483 PolarHBondContact O-OG 3.48Å; H480-S483 WeakPolarHBondContact CA-OG 3.38Å; H480-S483 CarbonylContact O-C 3.45Å; H480-S483 WeakPolarHBondContact O-CA 3.43Å; H480-S483 PolarHBondContact O-N 2.93Å; H480-S483 PolarHBondContact O-OG 3.45Å; M481-S483 PolarHBondContact O-N 3.28Å
484	A	53.2	Low	58.4	Low	58 Å²	58	121.8 Å²	121.8	48%	0.479	66%	0.655	S	S	.	*			trans	-123.8	69.9	-174	0	0	0	0	0	110.4	H480 M481 T486	H480-A484 VanDerWaalsContact O-CB 3.28Å; H480-A484 WeakPolarHBondContact O-CB 3.35Å; H480-A484 PolarHBondContact O-N 2.87Å; M481-A484 CarbonylContact O-C 3.41Å; M481-A484 PolarHBondContact O-N 2.86Å; A484-T486 PolarHBondContact O-N 2.87Å
485	E	39.4	Very low	57.1	Low	187 Å²	187	124.3 Å²	124.3	87%	0.874	67%	0.665	S	S	*	*			trans	-69	78.4	167.1	-77.5	-174.3	148.9	0	0	110.8
486	T	45.5	Very low	55.7	Low	112 Å²	112	126.2 Å²	126.2	69%	0.687	67%	0.668	S	S	*	*			trans	-152.9	127.9	157.6	48.3	0	0	0	0	110.8	A484	A484-T486 PolarHBondContact O-N 2.87Å
487	P	43.2	Very low	54.3	Low	130 Å²	130	125.3 Å²	125.3	84%	0.844	67%	0.668	S	S	*	*			trans	-87.9	136.8	-178.6	33.3	-30.2	0	0	0	112
488	I	45.5	Very low	53.1	Low	158 Å²	158	123 Å²	123	81%	0.81	66%	0.663	S	S	*	*			trans	-122.3	131.6	172.1	-58.4	179	0	0	0	110.4
489	P	39.4	Very low	52.1	Low	125 Å²	125	125.5 Å²	125.5	81%	0.812	67%	0.671	S	S	*	*			trans	-95.2	138.2	-173.1	19.3	-0.8	0	0	0	113.1
490	G	42.9	Very low	51	Low	51 Å²	51	124.4 Å²	124.4	53%	0.526	66%	0.661	S	S	.	*			trans	-140	29.5	-173.7	0	0	0	0	0	115.8
491	E	45.7	Very low	49.9	Very low	171 Å²	171	124.7 Å²	124.7	80%	0.799	67%	0.667	S	S	*	*			trans	-80.9	-15.5	-176.5	-116.8	165.6	179.2	0	0	114.4
492	S	50.3	Low	49.4	Very low	96 Å²	96	126.9 Å²	126.9	67%	0.671	68%	0.675	S	S	*	*	H	α-helix	trans	-79.4	-24.9	-177	53.2	0	0	0	0	114.7
493	E	50.8	Low	48.9	Very low	149 Å²	149	124.5 Å²	124.5	70%	0.696	67%	0.669	S	S	*	*	H	α-helix	trans	-76.9	-29.3	179.2	-93	179.7	161.4	0	0	113.1	Y496 N497	E493-Y496 PolarHBondContact O-N 3.45Å; E493-N497 PolarHBondContact O-N 3.14Å
494	R	49.5	Very low	48.5	Very low	208 Å²	208	126.2 Å²	126.2	79%	0.785	67%	0.669	S	S	*	*	H	α-helix	trans	-71.9	-31.3	179.3	-65.4	-173.5	-170.3	-178.1	3.4	112.8	A498	R494-A498 PolarHBondContact O-N 3.44Å
495	Q	52.7	Low	48.5	Very low	148 Å²	148	131.7 Å²	131.7	69%	0.692	69%	0.69	S	S	*	*	H	α-helix	trans	-75.9	-28.1	175.8	-75.5	-177.1	-6.8	0	0	113.2	K499	Q495-K499 PolarHBondContact O-N 3.13Å
496	Y	52.3	Low	49.2	Very low	162 Å²	162	127 Å²	127	64%	0.635	67%	0.674	S	S	*	*	H	α-helix	trans	-70	-42.2	176.1	-169.4	-104.4	0	0	0	111.6	E493 A498 K499 I500	E493-Y496 PolarHBondContact O-N 3.45Å; Y496-A498 PolarHBondContact O-N 3.43Å; Y496-K499 PolarHBondContact O-N 3.19Å; Y496-I500 HydrophobicContact CD1-CD1 3.96Å; Y496-I500 HydrophobicContact CE1-CD1 3.66Å; Y496-I500 PolarHBondContact O-N 3.35Å
497	N	51.5	Low	49.6	Very low	100 Å²	100	126.2 Å²	126.2	54%	0.535	67%	0.666	S	S	.	*	H	α-helix	trans	-69.1	-30.9	178.3	-71.1	-17.5	0	0	0	113.5	E493	E493-N497 PolarHBondContact O-N 3.14Å
498	A	47	Very low	50	Low	56 Å²	56	127.9 Å²	127.9	46%	0.463	66%	0.656	S	S	.	*	H	α-helix	trans	-67.8	-36.6	174.6	0	0	0	0	0	112.9	R494 Y496 L501 E502	R494-A498 PolarHBondContact O-N 3.44Å; Y496-A498 PolarHBondContact O-N 3.43Å; A498-L501 PolarHBondContact O-N 3.19Å; A498-E502 PolarHBondContact O-N 3.48Å
499	K	53.3	Low	50.9	Low	155 Å²	155	121.8 Å²	121.8	67%	0.674	63%	0.633	S	S	*	*	H	α-helix	trans	-72.4	-28.5	178.1	-98.5	179.2	175.7	175.3	0	114.1	Q495 Y496 L501 S503	Q495-K499 PolarHBondContact O-N 3.13Å; Y496-K499 PolarHBondContact O-N 3.19Å; K499-L501 VanDerWaalsContact C-N 3.34Å; K499-S503 PolarHBondContact O-N 3.28Å
500	I	53.2	Low	52	Low	68 Å²	68	121.4 Å²	121.4	35%	0.349	62%	0.62	S	S	.	*	H	α-helix	trans	-67.9	-38.8	174.8	-66.1	174.2	0	0	0	110.1	Y496 E502 S503 M504	Y496-I500 HydrophobicContact CD1-CD1 3.96Å; Y496-I500 HydrophobicContact CE1-CD1 3.66Å; Y496-I500 PolarHBondContact O-N 3.35Å; I500-E502 PolarHBondContact O-N 2.78Å; I500-S503 PolarHBondContact O-N 3.14Å; I500-S503 PolarHBondContact O-OG 2.97Å; I500-M504 HydrophobicContact CG2-CE 4.1Å
501	L	46.8	Very low	52.9	Low	137 Å²	137	124.2 Å²	124.2	72%	0.717	62%	0.618	S	S	*	*	H	α-helix	trans	-68.2	-31.7	178.5	-78.6	159.4	0	0	0	113.4	A498 K499 S503	A498-L501 PolarHBondContact O-N 3.19Å; K499-L501 VanDerWaalsContact C-N 3.34Å; L501-S503 VanDerWaalsContact C-N 3.31Å
502	E	49.6	Very low	53.7	Low	170 Å²	170	121 Å²	121	79%	0.794	60%	0.601	S	S	*	*	H	α-helix	trans	-74.2	-18.1	173.2	-81.4	-179.6	158.5	0	0	113.8	A498 I500	A498-E502 PolarHBondContact O-N 3.48Å; I500-E502 PolarHBondContact O-N 2.78Å
503	S	53.2	Low	54.6	Low	84 Å²	84	124.3 Å²	124.3	59%	0.587	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-6.3	-172.9	71.5	0	0	0	0	115.3	K499 I500 L501 N505	K499-S503 PolarHBondContact O-N 3.28Å; I500-S503 PolarHBondContact O-N 3.14Å; I500-S503 PolarHBondContact O-OG 2.97Å; L501-S503 VanDerWaalsContact C-N 3.31Å; S503-N505 PolarHBondContact O-N 3.41Å; S503-N505 VanDerWaalsContact O-N 3.11Å
504	M	53.6	Low	55.4	Low	126 Å²	126	122.9 Å²	122.9	62%	0.621	60%	0.596	S	S	*	*			trans	-85.9	85.8	-179.8	-65.5	-168.6	-171.7	0	0	110.9	I500 V506	I500-M504 HydrophobicContact CG2-CE 4.1Å; M504-V506 HydrophobicContact CB-CG2 4.01Å; M504-V506 PolarHBondContact O-N 2.99Å
505	N	52.5	Low	56.3	Low	173 Å²	173	118.4 Å²	118.4	93%	0.925	58%	0.584	S	S	*	*			trans	-73	65.2	174.1	-144.1	15.3	0	0	0	110.5	S503	S503-N505 PolarHBondContact O-N 3.41Å; S503-N505 VanDerWaalsContact O-N 3.11Å
506	V	54.6	Low	57.1	Low	89 Å²	89	115.1 Å²	115.1	54%	0.539	57%	0.57	S	S	.	*			trans	-74.8	127.1	-175.8	-174.8	0	0	0	0	110	M504 Y508 F511	M504-V506 HydrophobicContact CB-CG2 4.01Å; M504-V506 PolarHBondContact O-N 2.99Å; V506-Y508 PolarHBondContact O-N 3.46Å; V506-F511 HydrophobicContact CG1-CB 4.18Å
507	D	53.6	Low	58.1	Low	94 Å²	94	111.7 Å²	111.7	50%	0.503	56%	0.563	S	S	.	*			trans	-56.1	108.5	173.3	179.2	4.8	0	0	0	109.9	G509 Q510 F511	D507-G509 PolarHBondContact O-N 3.08Å; D507-G509 PolarHBondContact OD1-N 3Å; D507-G509 VanDerWaalsContact OD1-N 3.11Å; D507-Q510 HydrophobicContact CB-CB 4.45Å; D507-Q510 HydrophobicContact CB-CG 4.34Å; D507-Q510 PolarHBondContact O-N 3.06Å; D507-F511 PolarHBondContact O-N 2.94Å
508	Y	52.9	Low	59.1	Low	166 Å²	166	111.4 Å²	111.4	65%	0.651	56%	0.562	S	S	*	*	H	α-helix	trans	-54.5	-29.6	-177.4	-175	-103.7	0	0	0	112.2	V506 K512	V506-Y508 PolarHBondContact O-N 3.46Å; Y508-K512 HydrophobicContact CE1-CD 4.37Å; Y508-K512 VanDerWaalsContact O-CB 3.27Å; Y508-K512 WeakPolarHBondContact O-CB 3.4Å; Y508-K512 PolarHBondContact O-N 3.03Å
509	G	62.8	Low	60.4	Low	30 Å²	30	114.7 Å²	114.7	31%	0.309	57%	0.566	S	S	.	*	H	α-helix	trans	-71.4	-27.2	176.3	0	0	0	0	0	114.4	D507 R513	D507-G509 PolarHBondContact O-N 3.08Å; D507-G509 PolarHBondContact OD1-N 3Å; D507-G509 VanDerWaalsContact OD1-N 3.11Å; G509-R513 WeakPolarHBondContact O-CG 3.36Å; G509-R513 PolarHBondContact O-NE 3.34Å; G509-R513 VanDerWaalsContact O-NE 3.13Å
510	Q	63.1	Low	61.4	Low	116 Å²	116	115.7 Å²	115.7	54%	0.542	57%	0.565	S	S	.	*	H	α-helix	trans	-83.5	-40.5	172.5	-69.1	-171.6	7.1	0	0	111.3	D507 K512 R513 L514	D507-Q510 HydrophobicContact CB-CB 4.45Å; D507-Q510 HydrophobicContact CB-CG 4.34Å; D507-Q510 PolarHBondContact O-N 3.06Å; Q510-K512 PolarHBondContact O-N 3.26Å; Q510-R513 PolarHBondContact O-N 3.46Å; Q510-L514 PolarHBondContact O-N 2.93Å
511	F	60.9	Low	62.4	Low	111 Å²	111	118 Å²	118	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-59.7	-45.4	175.4	-179.2	-98.2	0	0	0	111.7	V506 D507 R513 L514 Q515	V506-F511 HydrophobicContact CG1-CB 4.18Å; D507-F511 PolarHBondContact O-N 2.94Å; F511-R513 PolarHBondContact O-N 2.98Å; F511-L514 PolarHBondContact O-N 3.17Å; F511-Q515 WeakPolarHBondContact O-CB 3.44Å; F511-Q515 PolarHBondContact O-N 3.28Å
512	K	64.4	Low	63.7	Low	102 Å²	102	117.8 Å²	117.8	44%	0.443	57%	0.573	S	S	.	*	H	α-helix	trans	-64.6	-38.9	178.9	-168.8	170.7	-177.8	-179.9	0	112.7	Y508 Q510 Q515 D516	Y508-K512 HydrophobicContact CE1-CD 4.37Å; Y508-K512 VanDerWaalsContact O-CB 3.27Å; Y508-K512 WeakPolarHBondContact O-CB 3.4Å; Y508-K512 PolarHBondContact O-N 3.03Å; Q510-K512 PolarHBondContact O-N 3.26Å; K512-Q515 PolarHBondContact O-N 2.99Å; K512-D516 PolarHBondContact O-N 2.96Å
513	R	68.1	Low	65	Low	166 Å²	166	114.9 Å²	114.9	63%	0.626	56%	0.559	S	S	*	*	H	α-helix	trans	-63.8	-45.3	174	-81.8	-173.8	-90	-173.5	-6	112.1	G509 Q510 F511 Q515 D516 D517	G509-R513 WeakPolarHBondContact O-CG 3.36Å; G509-R513 PolarHBondContact O-NE 3.34Å; G509-R513 VanDerWaalsContact O-NE 3.13Å; Q510-R513 PolarHBondContact O-N 3.46Å; F511-R513 PolarHBondContact O-N 2.98Å; R513-Q515 VanDerWaalsContact C-N 3.3Å; R513-Q515 PolarHBondContact O-N 3.49Å; R513-D516 PolarHBondContact O-N 3.47Å; R513-D517 WeakPolarHBondContact O-CB 3.49Å; R513-D517 PolarHBondContact O-N 3.29Å
514	L	67.9	Low	66	Low	120 Å²	120	112.9 Å²	112.9	63%	0.628	55%	0.548	S	S	*	.	H	α-helix	trans	-62.5	-36.9	174.7	-81.8	162.3	0	0	0	112.3	Q510 F511 N518	Q510-L514 PolarHBondContact O-N 2.93Å; F511-L514 PolarHBondContact O-N 3.17Å; L514-N518 WeakPolarHBondContact O-CB 3.46Å; L514-N518 PolarHBondContact O-N 3.36Å
515	Q	68.1	Low	66.9	Low	114 Å²	114	111.2 Å²	111.2	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-66.8	-44.9	176.2	-171.3	179.3	23.5	0	0	111.8	F511 K512 R513 N518 K519	F511-Q515 WeakPolarHBondContact O-CB 3.44Å; F511-Q515 PolarHBondContact O-N 3.28Å; K512-Q515 PolarHBondContact O-N 2.99Å; R513-Q515 VanDerWaalsContact C-N 3.3Å; R513-Q515 PolarHBondContact O-N 3.49Å; Q515-N518 PolarHBondContact O-N 2.93Å; Q515-K519 WeakPolarHBondContact O-CB 3.46Å; Q515-K519 PolarHBondContact O-N 2.77Å
516	D	70.3	Confident	67.9	Low	78 Å²	78	106 Å²	106	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-40	177.7	-71.9	-23.5	0	0	0	111.6	K512 R513 K519 R520	K512-D516 PolarHBondContact O-N 2.96Å; R513-D516 PolarHBondContact O-N 3.47Å; D516-K519 PolarHBondContact O-N 2.93Å; D516-R520 WeakPolarHBondContact O-CG 3.44Å; D516-R520 PolarHBondContact O-N 2.97Å
517	D	72.1	Confident	68.8	Low	90 Å²	90	107.2 Å²	107.2	48%	0.481	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-40.3	175.1	-74.6	-18.7	0	0	0	111.7	R513 K519 R520 L521	R513-D517 WeakPolarHBondContact O-CB 3.49Å; R513-D517 PolarHBondContact O-N 3.29Å; D517-K519 VanDerWaalsContact C-N 3.34Å; D517-R520 PolarHBondContact O-N 3.22Å; D517-L521 WeakPolarHBondContact O-CB 3.45Å; D517-L521 PolarHBondContact O-N 2.8Å
518	N	73.9	Confident	69.6	Low	95 Å²	95	110.9 Å²	110.9	51%	0.508	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-37.7	175.8	-160.3	-19.4	0	0	0	111.3	L514 Q515 L521 Q522	L514-N518 WeakPolarHBondContact O-CB 3.46Å; L514-N518 PolarHBondContact O-N 3.36Å; Q515-N518 PolarHBondContact O-N 2.93Å; N518-L521 PolarHBondContact O-N 3.48Å; N518-Q522 WeakPolarHBondContact O-CG 3.46Å; N518-Q522 PolarHBondContact O-N 3.14Å
519	K	74.2	Confident	70.6	Confident	125 Å²	125	111.5 Å²	111.5	54%	0.543	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-45.9	173.1	-169.8	-177.8	177	-170.6	0	111.8	Q515 D516 D517 L521 Q522 E523	Q515-K519 WeakPolarHBondContact O-CB 3.46Å; Q515-K519 PolarHBondContact O-N 2.77Å; D516-K519 PolarHBondContact O-N 2.93Å; D517-K519 VanDerWaalsContact C-N 3.34Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 3.37Å; K519-Q522 PolarHBondContact O-N 3.46Å; K519-E523 VanDerWaalsContact CE-OE1 3.3Å; K519-E523 WeakPolarHBondContact CE-OE1 3.47Å; K519-E523 WeakPolarHBondContact O-CG 3.37Å; K519-E523 PolarHBondContact O-N 3.01Å
520	R	73.9	Confident	71.1	Confident	175 Å²	175	114.4 Å²	114.4	66%	0.66	54%	0.539	S	S	*	.	H	α-helix	trans	-61.3	-38.9	174.7	-74.8	175.6	175.5	-175	-1.7	112.2	D516 D517 E523 A524	D516-R520 WeakPolarHBondContact O-CG 3.44Å; D516-R520 PolarHBondContact O-N 2.97Å; D517-R520 PolarHBondContact O-N 3.22Å; R520-E523 PolarHBondContact O-N 2.99Å; R520-A524 WeakPolarHBondContact O-CB 3.49Å; R520-A524 PolarHBondContact O-N 3.08Å
521	L	73.1	Confident	71.5	Confident	117 Å²	117	111.1 Å²	111.1	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-66.4	-42.4	176.6	-151.1	92.7	0	0	0	111.1	D517 N518 K519 A524 V525	D517-L521 WeakPolarHBondContact O-CB 3.45Å; D517-L521 PolarHBondContact O-N 2.8Å; N518-L521 PolarHBondContact O-N 3.48Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 3.37Å; L521-A524 PolarHBondContact O-N 3.03Å; L521-V525 WeakPolarHBondContact O-CB 3.46Å; L521-V525 VanDerWaalsContact O-CG2 3.28Å; L521-V525 WeakPolarHBondContact O-CG2 3.38Å; L521-V525 PolarHBondContact O-N 3.36Å
522	Q	74	Confident	71.9	Confident	133 Å²	133	108.4 Å²	108.4	62%	0.621	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-41.1	174.6	-79.1	-176.4	-15.4	0	0	112.2	N518 K519 V525 S526	N518-Q522 WeakPolarHBondContact O-CG 3.46Å; N518-Q522 PolarHBondContact O-N 3.14Å; K519-Q522 PolarHBondContact O-N 3.46Å; Q522-V525 PolarHBondContact O-N 2.95Å; Q522-S526 VanDerWaalsContact O-CB 3.27Å; Q522-S526 WeakPolarHBondContact O-CB 3.29Å; Q522-S526 PolarHBondContact O-N 3.43Å
523	E	77.6	Confident	72.2	Confident	109 Å²	109	107.9 Å²	107.9	51%	0.509	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.2	-73.5	169.9	-174.1	0	0	111.3	K519 R520 S526 H527	K519-E523 VanDerWaalsContact CE-OE1 3.3Å; K519-E523 WeakPolarHBondContact CE-OE1 3.47Å; K519-E523 WeakPolarHBondContact O-CG 3.37Å; K519-E523 PolarHBondContact O-N 3.01Å; R520-E523 PolarHBondContact O-N 2.99Å; E523-S526 PolarHBondContact O-N 3.24Å; E523-H527 WeakPolarHBondContact O-CB 3.44Å; E523-H527 PolarHBondContact O-N 3.49Å
524	A	73.9	Confident	72.4	Confident	42 Å²	42	106.1 Å²	106.1	35%	0.347	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-43.9	175.8	0	0	0	0	0	112.5	R520 L521 H527 Y528	R520-A524 WeakPolarHBondContact O-CB 3.49Å; R520-A524 PolarHBondContact O-N 3.08Å; L521-A524 PolarHBondContact O-N 3.03Å; A524-H527 PolarHBondContact O-N 3.34Å; A524-Y528 WeakPolarHBondContact O-CD2 3.29Å; A524-Y528 PolarHBondContact O-N 2.99Å
525	V	74.2	Confident	72.5	Confident	90 Å²	90	104.9 Å²	104.9	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-42.1	176.7	170.2	0	0	0	0	110.9	L521 Q522 Y528 R529	L521-V525 WeakPolarHBondContact O-CB 3.46Å; L521-V525 VanDerWaalsContact O-CG2 3.28Å; L521-V525 WeakPolarHBondContact O-CG2 3.38Å; L521-V525 PolarHBondContact O-N 3.36Å; Q522-V525 PolarHBondContact O-N 2.95Å; V525-Y528 PolarHBondContact O-N 3.11Å; V525-R529 WeakPolarHBondContact O-CB 3.32Å; V525-R529 PolarHBondContact O-N 2.92Å
526	S	72.5	Confident	72.7	Confident	63 Å²	63	102.5 Å²	102.5	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-61.3	-44.4	174.7	-175.6	0	0	0	0	111.6	Q522 E523 R529 N530	Q522-S526 VanDerWaalsContact O-CB 3.27Å; Q522-S526 WeakPolarHBondContact O-CB 3.29Å; Q522-S526 PolarHBondContact O-N 3.43Å; E523-S526 PolarHBondContact O-N 3.24Å; S526-R529 PolarHBondContact O-N 3.47Å; S526-N530 PolarHBondContact O-N 3.22Å
527	H	73.2	Confident	72.8	Confident	115 Å²	115	105.1 Å²	105.1	53%	0.532	53%	0.525	S	S	.	.	H	α-helix	trans	-60.7	-49.2	175.6	-179.6	-82.4	0	0	0	112.1	E523 A524 R529 N530 C531	E523-H527 WeakPolarHBondContact O-CB 3.44Å; E523-H527 PolarHBondContact O-N 3.49Å; A524-H527 PolarHBondContact O-N 3.34Å; H527-R529 VanDerWaalsContact C-N 3.33Å; H527-R529 PolarHBondContact O-N 2.69Å; H527-N530 PolarHBondContact O-N 3.1Å; H527-C531 PolarHBondContact CE1-SG 3.43Å; H527-C531 PolarHBondContact O-N 3Å; H527-C531 PolarHBondContact O-SG 3.48Å; H527-C531 VanDerWaalsContact O-SG 3.34Å
528	Y	70.3	Confident	72.6	Confident	172 Å²	172	106 Å²	106	68%	0.675	53%	0.529	S	S	*	.	H	α-helix	trans	-65.2	-35	178.6	-76.2	-61.5	0	0	0	112.9	A524 V525 C531 A532	A524-Y528 WeakPolarHBondContact O-CD2 3.29Å; A524-Y528 PolarHBondContact O-N 2.99Å; V525-Y528 PolarHBondContact O-N 3.11Å; Y528-C531 PolarHBondContact O-N 2.93Å; Y528-A532 WeakPolarHBondContact O-CB 3.4Å; Y528-A532 PolarHBondContact O-N 2.94Å
529	R	74.9	Confident	72.5	Confident	179 Å²	179	106.8 Å²	106.8	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-47.8	173.4	-168.3	177.5	-168.7	162.9	4.7	111.2	V525 S526 H527 C531 A532 D533	V525-R529 WeakPolarHBondContact O-CB 3.32Å; V525-R529 PolarHBondContact O-N 2.92Å; S526-R529 PolarHBondContact O-N 3.47Å; H527-R529 VanDerWaalsContact C-N 3.33Å; H527-R529 PolarHBondContact O-N 2.69Å; R529-C531 VanDerWaalsContact C-N 3.31Å; R529-C531 PolarHBondContact O-N 3.24Å; R529-A532 PolarHBondContact O-N 3.48Å; R529-A532 VanDerWaalsContact O-N 3.14Å; R529-D533 VanDerWaalsContact O-CG 3.3Å; R529-D533 PolarHBondContact O-N 3.45Å
530	N	72.5	Confident	72.4	Confident	90 Å²	90	104.9 Å²	104.9	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-60	-40	175.4	-77.4	-12.9	0	0	0	112.4	S526 H527 D533 Q534	S526-N530 PolarHBondContact O-N 3.22Å; H527-N530 PolarHBondContact O-N 3.1Å; N530-D533 PolarHBondContact O-N 2.96Å; N530-Q534 WeakPolarHBondContact O-CG 3.33Å; N530-Q534 PolarHBondContact O-N 2.99Å
531	C	71.3	Confident	72.2	Confident	47 Å²	47	101.3 Å²	101.3	32%	0.318	52%	0.515	S	S	.	.	H	α-helix	trans	-63.9	-42.6	174.6	-69	0	0	0	0	112.1	H527 Y528 R529 Q534 V535	H527-C531 PolarHBondContact CE1-SG 3.43Å; H527-C531 PolarHBondContact O-N 3Å; H527-C531 PolarHBondContact O-SG 3.48Å; H527-C531 VanDerWaalsContact O-SG 3.34Å; Y528-C531 PolarHBondContact O-N 2.93Å; R529-C531 VanDerWaalsContact C-N 3.31Å; R529-C531 PolarHBondContact O-N 3.24Å; C531-Q534 PolarHBondContact O-N 2.95Å; C531-V535 WeakPolarHBondContact O-CG2 3.35Å; C531-V535 PolarHBondContact O-N 3.35Å
532	A	68.6	Low	72.2	Confident	54 Å²	54	99.6 Å²	99.6	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-43.6	176.7	0	0	0	0	0	111.5	Y528 R529 Q534 V535 V536	Y528-A532 WeakPolarHBondContact O-CB 3.4Å; Y528-A532 PolarHBondContact O-N 2.94Å; R529-A532 PolarHBondContact O-N 3.48Å; R529-A532 VanDerWaalsContact O-N 3.14Å; A532-Q534 VanDerWaalsContact C-N 3.33Å; A532-Q534 PolarHBondContact O-N 3.32Å; A532-V535 PolarHBondContact O-N 3.22Å; A532-V536 WeakPolarHBondContact O-CG2 3.43Å; A532-V536 PolarHBondContact O-N 3.04Å
533	D	71.6	Confident	72.2	Confident	91 Å²	91	98.2 Å²	98.2	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-39.4	177.4	-67.4	-21.2	0	0	0	111.6	R529 N530 V536 K537	R529-D533 VanDerWaalsContact O-CG 3.3Å; R529-D533 PolarHBondContact O-N 3.45Å; N530-D533 PolarHBondContact O-N 2.96Å; D533-V536 PolarHBondContact O-N 2.96Å; D533-K537 WeakPolarHBondContact O-CB 3.37Å; D533-K537 PolarHBondContact O-N 3.29Å
534	Q	72.6	Confident	71.9	Confident	129 Å²	129	94.9 Å²	94.9	60%	0.603	49%	0.491	S	S	*	.	H	α-helix	trans	-64.7	-42.1	174.1	-76	179.9	7.4	0	0	112.9	N530 C531 A532 K537 L538	N530-Q534 WeakPolarHBondContact O-CG 3.33Å; N530-Q534 PolarHBondContact O-N 2.99Å; C531-Q534 PolarHBondContact O-N 2.95Å; A532-Q534 VanDerWaalsContact C-N 3.33Å; A532-Q534 PolarHBondContact O-N 3.32Å; Q534-K537 PolarHBondContact O-N 3.04Å; Q534-L538 WeakPolarHBondContact O-CG 3.36Å; Q534-L538 PolarHBondContact O-N 3.25Å
535	V	70.2	Confident	71.8	Confident	95 Å²	95	96 Å²	96	58%	0.576	50%	0.497	S	S	*	.	H	α-helix	trans	-63.8	-42.8	176.9	171.3	0	0	0	0	110.7	C531 A532 K537 L538 Q539	C531-V535 WeakPolarHBondContact O-CG2 3.35Å; C531-V535 PolarHBondContact O-N 3.35Å; A532-V535 PolarHBondContact O-N 3.22Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 2.72Å; V535-L538 PolarHBondContact O-N 3Å; V535-Q539 WeakPolarHBondContact O-CB 3.42Å; V535-Q539 PolarHBondContact O-N 3.42Å
536	V	71.3	Confident	71.8	Confident	64 Å²	64	96.1 Å²	96.1	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-63.5	-40.7	176.4	172.9	0	0	0	0	111.3	A532 D533 Q539 M540	A532-V536 WeakPolarHBondContact O-CG2 3.43Å; A532-V536 PolarHBondContact O-N 3.04Å; D533-V536 PolarHBondContact O-N 2.96Å; V536-Q539 PolarHBondContact O-N 3.28Å; V536-M540 HydrophobicContact CG1-SD 4.28Å; V536-M540 WeakPolarHBondContact O-CG 3.37Å; V536-M540 PolarHBondContact O-N 3.43Å
537	K	72.9	Confident	71.8	Confident	132 Å²	132	98.5 Å²	98.5	57%	0.574	50%	0.501	S	S	*	.	H	α-helix	trans	-60.6	-47.5	175.5	-175.3	177.5	177.9	179.6	0	111.7	D533 Q534 V535 Q539 M540 E541	D533-K537 WeakPolarHBondContact O-CB 3.37Å; D533-K537 PolarHBondContact O-N 3.29Å; Q534-K537 PolarHBondContact O-N 3.04Å; V535-K537 VanDerWaalsContact C-N 3.34Å; V535-K537 PolarHBondContact O-N 2.72Å; K537-Q539 PolarHBondContact O-N 3Å; K537-M540 PolarHBondContact O-N 3.12Å; K537-E541 WeakPolarHBondContact CE-OE1 3.35Å; K537-E541 WeakPolarHBondContact O-CG 3.32Å; K537-E541 PolarHBondContact O-N 3.04Å
538	L	68	Low	71.7	Confident	109 Å²	109	98 Å²	98	57%	0.571	50%	0.498	S	S	*	.	H	α-helix	trans	-62	-41.9	176.7	-73.6	169.3	0	0	0	111.9	Q534 V535 M540 E541 V542	Q534-L538 WeakPolarHBondContact O-CG 3.36Å; Q534-L538 PolarHBondContact O-N 3.25Å; V535-L538 PolarHBondContact O-N 3Å; L538-M540 VanDerWaalsContact C-N 3.35Å; L538-M540 PolarHBondContact O-N 3.11Å; L538-E541 PolarHBondContact O-N 3.39Å; L538-V542 WeakPolarHBondContact O-CG2 3.36Å; L538-V542 PolarHBondContact O-N 3.37Å; L538-V542 VanDerWaalsContact O-N 3.07Å
539	Q	72.1	Confident	71.8	Confident	112 Å²	112	93.6 Å²	93.6	52%	0.523	49%	0.488	S	S	.	.	H	α-helix	trans	-60.2	-44.7	176.2	-167.5	76.9	13	0	0	111.4	V535 V536 K537 E541 V542 E543	V535-Q539 WeakPolarHBondContact O-CB 3.42Å; V535-Q539 PolarHBondContact O-N 3.42Å; V536-Q539 PolarHBondContact O-N 3.28Å; K537-Q539 PolarHBondContact O-N 3Å; Q539-E541 PolarHBondContact O-N 2.98Å; Q539-V542 PolarHBondContact O-N 3.38Å; Q539-E543 WeakPolarHBondContact O-CG 3.3Å; Q539-E543 PolarHBondContact O-N 3.45Å
540	M	70.8	Confident	71.8	Confident	84 Å²	84	91 Å²	91	41%	0.414	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-36.8	177	-78.8	179.1	32.9	0	0	113.1	V536 K537 L538 V542 E543 S544 K619	V536-M540 HydrophobicContact CG1-SD 4.28Å; V536-M540 WeakPolarHBondContact O-CG 3.37Å; V536-M540 PolarHBondContact O-N 3.43Å; K537-M540 PolarHBondContact O-N 3.12Å; L538-M540 VanDerWaalsContact C-N 3.35Å; L538-M540 PolarHBondContact O-N 3.11Å; M540-V542 VanDerWaalsContact C-N 3.34Å; M540-E543 PolarHBondContact O-N 3.37Å; M540-S544 WeakPolarHBondContact O-CB 3.27Å; M540-S544 PolarHBondContact O-N 3.16Å; M540-K619 PolarHBondContact SD-NZ 3.4Å; M540-K619 VanDerWaalsContact SD-NZ 3.43Å
541	E	71.2	Confident	71.9	Confident	101 Å²	101	89.3 Å²	89.3	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-65.3	-37.8	175.3	-74.5	175.6	-173	0	0	111.8	K537 L538 Q539 S545	K537-E541 WeakPolarHBondContact CE-OE1 3.35Å; K537-E541 WeakPolarHBondContact O-CG 3.32Å; K537-E541 PolarHBondContact O-N 3.04Å; L538-E541 PolarHBondContact O-N 3.39Å; Q539-E541 PolarHBondContact O-N 2.98Å; E541-S545 WeakPolarHBondContact O-CB 3.41Å; E541-S545 PolarHBondContact O-N 2.93Å; E541-S545 PolarHBondContact O-OG 3.21Å
542	V	73.2	Confident	72	Confident	81 Å²	81	92 Å²	92	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-66.9	-46.6	174.5	172.9	0	0	0	0	111.1	L538 Q539 M540 S545 N546	L538-V542 WeakPolarHBondContact O-CG2 3.36Å; L538-V542 PolarHBondContact O-N 3.37Å; L538-V542 VanDerWaalsContact O-N 3.07Å; Q539-V542 PolarHBondContact O-N 3.38Å; M540-V542 VanDerWaalsContact C-N 3.34Å; V542-S545 PolarHBondContact O-N 3.36Å; V542-N546 PolarHBondContact O-N 3.27Å
543	E	73.3	Confident	72.3	Confident	103 Å²	103	94.5 Å²	94.5	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-42.6	177.3	-74.1	175.5	-176.1	0	0	112.2	Q539 M540 S545 N546 L547	Q539-E543 WeakPolarHBondContact O-CG 3.3Å; Q539-E543 PolarHBondContact O-N 3.45Å; M540-E543 PolarHBondContact O-N 3.37Å; E543-S545 VanDerWaalsContact C-N 3.3Å; E543-S545 PolarHBondContact O-N 2.91Å; E543-N546 PolarHBondContact O-N 3Å; E543-L547 WeakPolarHBondContact O-CG 3.49Å; E543-L547 PolarHBondContact O-N 2.97Å
544	S	70.9	Confident	72.7	Confident	39 Å²	39	94.8 Å²	94.8	27%	0.273	49%	0.494	S	S	.	.	H	α-helix	trans	-59.6	-41.3	174.3	-176.6	0	0	0	0	111.9	M540 L547 K548	M540-S544 WeakPolarHBondContact O-CB 3.27Å; M540-S544 PolarHBondContact O-N 3.16Å; S544-L547 PolarHBondContact O-N 2.91Å; S544-K548 WeakPolarHBondContact O-CG 3.35Å; S544-K548 PolarHBondContact O-N 3.46Å
545	S	71.4	Confident	72.7	Confident	66 Å²	66	92.3 Å²	92.3	46%	0.462	49%	0.488	S	S	.	.	H	α-helix	trans	-66.9	-41.3	176.5	-61.3	0	0	0	0	111.9	E541 V542 E543 K548 V549	E541-S545 WeakPolarHBondContact O-CB 3.41Å; E541-S545 PolarHBondContact O-N 2.93Å; E541-S545 PolarHBondContact O-OG 3.21Å; V542-S545 PolarHBondContact O-N 3.36Å; E543-S545 VanDerWaalsContact C-N 3.3Å; E543-S545 PolarHBondContact O-N 2.91Å; S545-K548 WeakPolarHBondContact O-CB 3.37Å; S545-K548 PolarHBondContact O-N 3.42Å; S545-V549 WeakPolarHBondContact O-CG2 3.47Å; S545-V549 PolarHBondContact O-N 2.95Å
546	N	74.6	Confident	72.8	Confident	93 Å²	93	93.3 Å²	93.3	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-63.2	-42.4	175.2	-78.3	-21.8	0	0	0	112.2	V542 E543 K548 V549 Q550	V542-N546 PolarHBondContact O-N 3.27Å; E543-N546 PolarHBondContact O-N 3Å; N546-K548 VanDerWaalsContact C-N 3.35Å; N546-K548 PolarHBondContact O-N 3.14Å; N546-V549 PolarHBondContact O-N 3.37Å; N546-Q550 WeakPolarHBondContact O-CG 3.14Å; N546-Q550 PolarHBondContact O-N 2.95Å
547	L	73.5	Confident	73.3	Confident	113 Å²	113	96.5 Å²	96.5	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-62.9	-39.5	175.2	-74.2	169.9	0	0	0	111.9	E543 S544 V549 Q550 A551	E543-L547 WeakPolarHBondContact O-CG 3.49Å; E543-L547 PolarHBondContact O-N 2.97Å; S544-L547 PolarHBondContact O-N 2.91Å; L547-V549 PolarHBondContact O-N 2.91Å; L547-Q550 PolarHBondContact O-N 3.37Å; L547-A551 WeakPolarHBondContact O-CB 3.46Å; L547-A551 PolarHBondContact O-N 3.39Å
548	K	69.6	Low	73.5	Confident	105 Å²	105	94.5 Å²	94.5	46%	0.457	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-43.3	173	-77.5	-178.6	-175.9	-179.9	0	112.2	S544 S545 N546 A551 N552 Y608	S544-K548 WeakPolarHBondContact O-CG 3.35Å; S544-K548 PolarHBondContact O-N 3.46Å; S545-K548 WeakPolarHBondContact O-CB 3.37Å; S545-K548 PolarHBondContact O-N 3.42Å; N546-K548 VanDerWaalsContact C-N 3.35Å; N546-K548 PolarHBondContact O-N 3.14Å; K548-A551 PolarHBondContact O-N 3.49Å; K548-N552 WeakPolarHBondContact O-CB 3.46Å; K548-N552 VanDerWaalsContact O-CG 3.25Å; K548-N552 PolarHBondContact O-N 2.88Å; K548-N552 PolarHBondContact O-ND2 3.24Å; K548-Y608 WeakPolarHBondContact CE-OH 3.5Å
549	V	73.1	Confident	73.8	Confident	79 Å²	79	92.5 Å²	92.5	48%	0.479	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-46.7	178.2	173	0	0	0	0	110.3	S545 N546 L547 A551 N552 E553	S545-V549 WeakPolarHBondContact O-CG2 3.47Å; S545-V549 PolarHBondContact O-N 2.95Å; N546-V549 PolarHBondContact O-N 3.37Å; L547-V549 PolarHBondContact O-N 2.91Å; V549-A551 PolarHBondContact O-N 3.34Å; V549-N552 PolarHBondContact O-N 3.01Å; V549-E553 WeakPolarHBondContact O-CG 3.5Å; V549-E553 PolarHBondContact O-N 2.95Å
550	Q	75.8	Confident	73.8	Confident	125 Å²	125	89.7 Å²	89.7	58%	0.584	48%	0.479	S	S	*	.	H	α-helix	trans	-62.7	-42.5	177.7	-71.3	-179.8	4.1	0	0	112.7	N546 L547 E553 Q554	N546-Q550 WeakPolarHBondContact O-CG 3.14Å; N546-Q550 PolarHBondContact O-N 2.95Å; L547-Q550 PolarHBondContact O-N 3.37Å; Q550-E553 PolarHBondContact O-N 3.05Å; Q550-Q554 WeakPolarHBondContact O-CB 3.33Å; Q550-Q554 PolarHBondContact O-N 2.59Å
551	A	73.2	Confident	74.2	Confident	53 Å²	53	88.5 Å²	88.5	44%	0.438	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-44.9	176.4	0	0	0	0	0	111.5	L547 K548 V549 Q554 V555	L547-A551 WeakPolarHBondContact O-CB 3.46Å; L547-A551 PolarHBondContact O-N 3.39Å; K548-A551 PolarHBondContact O-N 3.49Å; V549-A551 PolarHBondContact O-N 3.34Å; A551-Q554 PolarHBondContact O-N 3.15Å; A551-V555 WeakPolarHBondContact O-CG2 3.42Å; A551-V555 PolarHBondContact O-N 3.27Å
552	N	73.4	Confident	74.3	Confident	105 Å²	105	86.5 Å²	86.5	56%	0.561	47%	0.474	S	S	*	.	H	α-helix	trans	-64	-41.6	177	-75.4	-22.7	0	0	0	112.2	K548 V549 Q554 V555 L556	K548-N552 WeakPolarHBondContact O-CB 3.46Å; K548-N552 VanDerWaalsContact O-CG 3.25Å; K548-N552 PolarHBondContact O-N 2.88Å; K548-N552 PolarHBondContact O-ND2 3.24Å; V549-N552 PolarHBondContact O-N 3.01Å; N552-Q554 VanDerWaalsContact C-N 3.33Å; N552-Q554 PolarHBondContact O-N 2.78Å; N552-V555 PolarHBondContact O-N 3.23Å; N552-L556 WeakPolarHBondContact O-CB 3.39Å; N552-L556 WeakPolarHBondContact O-CG 3.47Å; N552-L556 PolarHBondContact O-N 3.02Å
553	E	76.1	Confident	74.3	Confident	105 Å²	105	87 Å²	87	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-61.8	-40.2	173.7	-78.3	-169.7	172.2	0	0	112.1	V549 Q550 L556 K557	V549-E553 WeakPolarHBondContact O-CG 3.5Å; V549-E553 PolarHBondContact O-N 2.95Å; Q550-E553 PolarHBondContact O-N 3.05Å; E553-L556 PolarHBondContact O-N 2.81Å; E553-K557 WeakPolarHBondContact O-CG 3.39Å; E553-K557 PolarHBondContact O-N 2.88Å
554	Q	78.5	Confident	74.4	Confident	98 Å²	98	85.3 Å²	85.3	46%	0.458	47%	0.473	S	S	.	.	H	α-helix	trans	-67.4	-40.9	178	-169.4	62.1	23.2	0	0	111.8	Q550 A551 N552 L556 K557 N558	Q550-Q554 WeakPolarHBondContact O-CB 3.33Å; Q550-Q554 PolarHBondContact O-N 2.59Å; A551-Q554 PolarHBondContact O-N 3.15Å; N552-Q554 VanDerWaalsContact C-N 3.33Å; N552-Q554 PolarHBondContact O-N 2.78Å; Q554-L556 VanDerWaalsContact C-N 3.34Å; Q554-K557 PolarHBondContact O-N 2.85Å; Q554-N558 PolarHBondContact NE2-OD1 3.17Å; Q554-N558 WeakPolarHBondContact O-CB 3.28Å; Q554-N558 VanDerWaalsContact O-CG 3.22Å; Q554-N558 PolarHBondContact O-N 3.3Å; Q554-N558 PolarHBondContact O-ND2 3.42Å
555	V	73.9	Confident	74.5	Confident	77 Å²	77	89.3 Å²	89.3	47%	0.467	49%	0.487	S	S	.	.	H	α-helix	trans	-61	-44.1	173.6	171.1	0	0	0	0	110.6	A551 N552 N558 L559	A551-V555 WeakPolarHBondContact O-CG2 3.42Å; A551-V555 PolarHBondContact O-N 3.27Å; N552-V555 PolarHBondContact O-N 3.23Å; V555-N558 PolarHBondContact O-N 3.38Å; V555-L559 HydrophobicContact CG1-CD1 3.88Å; V555-L559 HydrophobicContact CG1-CG 4.41Å; V555-L559 WeakPolarHBondContact O-CB 3.31Å; V555-L559 WeakPolarHBondContact O-CG 3.27Å; V555-L559 PolarHBondContact O-N 3.03Å
556	L	71.4	Confident	74.1	Confident	116 Å²	116	89 Å²	89	61%	0.607	48%	0.479	S	S	*	.	H	α-helix	trans	-64.2	-40.7	176.9	-75.7	167.9	0	0	0	112.5	N552 E553 Q554 L559 A560	N552-L556 WeakPolarHBondContact O-CB 3.39Å; N552-L556 WeakPolarHBondContact O-CG 3.47Å; N552-L556 PolarHBondContact O-N 3.02Å; E553-L556 PolarHBondContact O-N 2.81Å; Q554-L556 VanDerWaalsContact C-N 3.34Å; L556-L559 PolarHBondContact O-N 3.22Å; L556-A560 WeakPolarHBondContact O-CB 3.43Å; L556-A560 PolarHBondContact O-N 3.13Å
557	K	81.5	Confident	73.7	Confident	130 Å²	130	90.9 Å²	90.9	57%	0.565	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-44.3	174.2	-76.9	175.2	-175.7	166.7	0	111.8	E553 Q554 A560 A561	E553-K557 WeakPolarHBondContact O-CG 3.39Å; E553-K557 PolarHBondContact O-N 2.88Å; Q554-K557 PolarHBondContact O-N 2.85Å; K557-A560 PolarHBondContact O-N 3.38Å; K557-A561 PolarHBondContact O-N 2.65Å
558	N	78.7	Confident	73.5	Confident	91 Å²	91	90.2 Å²	90.2	49%	0.487	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-45.3	177	-70.7	-13	0	0	0	111.4	Q554 V555 A560 A561 E562	Q554-N558 PolarHBondContact NE2-OD1 3.17Å; Q554-N558 WeakPolarHBondContact O-CB 3.28Å; Q554-N558 VanDerWaalsContact O-CG 3.22Å; Q554-N558 PolarHBondContact O-N 3.3Å; Q554-N558 PolarHBondContact O-ND2 3.42Å; V555-N558 PolarHBondContact O-N 3.38Å; N558-A560 VanDerWaalsContact C-N 3.33Å; N558-A560 PolarHBondContact O-N 3.01Å; N558-A561 PolarHBondContact O-N 3.27Å; N558-E562 WeakPolarHBondContact O-CB 3.5Å; N558-E562 PolarHBondContact O-N 3.18Å
559	L	73.2	Confident	73.2	Confident	66 Å²	66	90.5 Å²	90.5	35%	0.346	49%	0.485	S	S	.	.	H	α-helix	trans	-62.6	-38.4	175.8	-76.3	169.9	0	0	0	112	V555 L556 N563 L597	V555-L559 HydrophobicContact CG1-CD1 3.88Å; V555-L559 HydrophobicContact CG1-CG 4.41Å; V555-L559 WeakPolarHBondContact O-CB 3.31Å; V555-L559 WeakPolarHBondContact O-CG 3.27Å; V555-L559 PolarHBondContact O-N 3.03Å; L556-L559 PolarHBondContact O-N 3.22Å; L559-N563 WeakPolarHBondContact O-CB 3.33Å; L559-N563 PolarHBondContact O-N 3.42Å; L559-L597 HydrophobicContact CD2-CD1 4.05Å; L559-L597 HydrophobicContact CD2-CD2 4.14Å
560	A	73.4	Confident	72.4	Confident	54 Å²	54	90.9 Å²	90.9	45%	0.446	48%	0.484	S	S	.	.	H	α-helix	trans	-66.4	-39	176	0	0	0	0	0	112.2	L556 K557 N558 S564	L556-A560 WeakPolarHBondContact O-CB 3.43Å; L556-A560 PolarHBondContact O-N 3.13Å; K557-A560 PolarHBondContact O-N 3.38Å; N558-A560 VanDerWaalsContact C-N 3.33Å; N558-A560 PolarHBondContact O-N 3.01Å; A560-S564 WeakPolarHBondContact O-CB 3.09Å; A560-S564 PolarHBondContact O-N 2.93Å; A560-S564 VanDerWaalsContact O-N 3.08Å; A560-S564 PolarHBondContact O-OG 2.87Å
561	A	79	Confident	71.5	Confident	59 Å²	59	90.2 Å²	90.2	49%	0.488	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-47.8	174.8	0	0	0	0	0	111.5	K557 N558 N563 S564 E565	K557-A561 PolarHBondContact O-N 2.65Å; N558-A561 PolarHBondContact O-N 3.27Å; A561-N563 VanDerWaalsContact C-N 3.34Å; A561-N563 PolarHBondContact O-N 2.92Å; A561-S564 WeakPolarHBondContact O-CB 3.38Å; A561-S564 PolarHBondContact O-N 3.48Å; A561-S564 VanDerWaalsContact O-N 3.1Å; A561-E565 PolarHBondContact O-N 3.22Å
562	E	73.3	Confident	70.8	Confident	59 Å²	59	95.4 Å²	95.4	28%	0.276	50%	0.504	S	S	.	.	H	α-helix	trans	-62.1	-40.4	178.2	-168.4	-179.2	177.7	0	0	111.6	N558 S564 E565 M566	N558-E562 WeakPolarHBondContact O-CB 3.5Å; N558-E562 PolarHBondContact O-N 3.18Å; E562-S564 VanDerWaalsContact C-N 3.29Å; E562-S564 PolarHBondContact O-N 2.97Å; E562-E565 PolarHBondContact O-N 3.5Å; E562-M566 HydrophobicContact CG-CE 4.44Å; E562-M566 VanDerWaalsContact O-CB 3.3Å; E562-M566 WeakPolarHBondContact O-CB 3.36Å; E562-M566 PolarHBondContact O-N 2.91Å
563	N	73.4	Confident	69.6	Low	91 Å²	91	94.4 Å²	94.4	49%	0.487	51%	0.506	S	S	.	.	H	α-helix	trans	-67.4	-31.5	176.5	-155.3	-6.6	0	0	0	111.9	L559 A561 K567	L559-N563 WeakPolarHBondContact O-CB 3.33Å; L559-N563 PolarHBondContact O-N 3.42Å; A561-N563 VanDerWaalsContact C-N 3.34Å; A561-N563 PolarHBondContact O-N 2.92Å; N563-K567 WeakPolarHBondContact O-CG 3.43Å; N563-K567 PolarHBondContact O-N 3.29Å
564	S	74.7	Confident	68.2	Low	67 Å²	67	93.2 Å²	93.2	47%	0.469	51%	0.509	S	S	.	.	H	α-helix	trans	-71.9	-40.7	173.7	-57.9	0	0	0	0	111.8	A560 A561 E562 K567 L568	A560-S564 WeakPolarHBondContact O-CB 3.09Å; A560-S564 PolarHBondContact O-N 2.93Å; A560-S564 VanDerWaalsContact O-N 3.08Å; A560-S564 PolarHBondContact O-OG 2.87Å; A561-S564 WeakPolarHBondContact O-CB 3.38Å; A561-S564 PolarHBondContact O-N 3.48Å; A561-S564 VanDerWaalsContact O-N 3.1Å; E562-S564 VanDerWaalsContact C-N 3.29Å; E562-S564 PolarHBondContact O-N 2.97Å; S564-K567 PolarHBondContact O-N 2.95Å; S564-L568 PolarHBondContact O-N 3.43Å
565	E	73.1	Confident	66.7	Low	123 Å²	123	95.5 Å²	95.5	58%	0.575	53%	0.532	S	S	*	.	H	α-helix	trans	-64.2	-41.7	173.9	-169.3	177.2	-176.9	0	0	111.5	A561 E562 K567 L568 L569	A561-E565 PolarHBondContact O-N 3.22Å; E562-E565 PolarHBondContact O-N 3.5Å; E565-K567 PolarHBondContact O-N 2.91Å; E565-L568 CarbonylContact O-C 3.48Å; E565-L568 WeakPolarHBondContact O-CA 3.44Å; E565-L568 WeakPolarHBondContact O-CB 3.25Å; E565-L568 PolarHBondContact O-N 3.37Å; E565-L568 VanDerWaalsContact O-N 3.11Å; E565-L569 HydrophobicContact CG-CD1 4.2Å; E565-L569 PolarHBondContact O-N 2.91Å
566	M	62.8	Low	65.6	Low	59 Å²	59	95 Å²	95	29%	0.291	54%	0.543	S	S	.	.	H	α-helix	trans	-63.9	-40.8	176.9	-156.9	-179.3	-44.9	0	0	111.7	E562 L568 L569 I570	E562-M566 HydrophobicContact CG-CE 4.44Å; E562-M566 VanDerWaalsContact O-CB 3.3Å; E562-M566 WeakPolarHBondContact O-CB 3.36Å; E562-M566 PolarHBondContact O-N 2.91Å; M566-L568 VanDerWaalsContact C-N 3.34Å; M566-L568 PolarHBondContact O-N 3.42Å; M566-L569 PolarHBondContact O-N 3.01Å; M566-I570 HydrophobicContact CG-CD1 4.48Å; M566-I570 WeakPolarHBondContact O-CD1 3.48Å; M566-I570 VanDerWaalsContact O-CG1 3.24Å; M566-I570 WeakPolarHBondContact O-CG1 3.24Å; M566-I570 PolarHBondContact O-N 2.74Å
567	K	66.3	Low	64.4	Low	134 Å²	134	95.3 Å²	95.3	58%	0.583	54%	0.543	S	S	*	.	H	α-helix	trans	-60.9	-41.8	170.8	-77.7	177	-178	178.4	0	111.9	N563 S564 E565 I570 C571	N563-K567 WeakPolarHBondContact O-CG 3.43Å; N563-K567 PolarHBondContact O-N 3.29Å; S564-K567 PolarHBondContact O-N 2.95Å; E565-K567 PolarHBondContact O-N 2.91Å; K567-I570 PolarHBondContact O-N 3.35Å; K567-C571 WeakPolarHBondContact O-CB 3.46Å; K567-C571 PolarHBondContact O-N 3.23Å; K567-C571 PolarHBondContact O-SG 3.23Å
568	L	68.9	Low	62.7	Low	99 Å²	99	94 Å²	94	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-64.9	-41.2	176.4	-87.5	158.9	0	0	0	112.4	S564 E565 M566 C571 K572	S564-L568 PolarHBondContact O-N 3.43Å; E565-L568 CarbonylContact O-C 3.48Å; E565-L568 WeakPolarHBondContact O-CA 3.44Å; E565-L568 WeakPolarHBondContact O-CB 3.25Å; E565-L568 PolarHBondContact O-N 3.37Å; E565-L568 VanDerWaalsContact O-N 3.11Å; M566-L568 VanDerWaalsContact C-N 3.34Å; M566-L568 PolarHBondContact O-N 3.42Å; L568-C571 PolarHBondContact O-N 2.84Å; L568-K572 VanDerWaalsContact O-CB 3.29Å; L568-K572 WeakPolarHBondContact O-CB 3.49Å; L568-K572 WeakPolarHBondContact O-CG 3.3Å; L568-K572 PolarHBondContact O-N 2.93Å
569	L	62.5	Low	61.5	Low	111 Å²	111	94.4 Å²	94.4	58%	0.581	56%	0.556	S	S	*	*	H	α-helix	trans	-62.8	-44.4	174.9	-91.7	149.1	0	0	0	111.9	E565 M566 C571 K572 S573	E565-L569 HydrophobicContact CG-CD1 4.2Å; E565-L569 PolarHBondContact O-N 2.91Å; M566-L569 PolarHBondContact O-N 3.01Å; L569-C571 PolarHBondContact O-N 3.35Å; L569-K572 PolarHBondContact O-N 2.87Å; L569-S573 PolarHBondContact O-N 2.85Å; L569-S573 VanDerWaalsContact O-N 3.14Å
570	I	57.5	Low	60.5	Low	87 Å²	87	95.9 Å²	95.9	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-61.3	-45.7	175.3	-67.9	164.8	0	0	0	110	M566 K567 K572 S573 L586	M566-I570 HydrophobicContact CG-CD1 4.48Å; M566-I570 WeakPolarHBondContact O-CD1 3.48Å; M566-I570 VanDerWaalsContact O-CG1 3.24Å; M566-I570 WeakPolarHBondContact O-CG1 3.24Å; M566-I570 PolarHBondContact O-N 2.74Å; K567-I570 PolarHBondContact O-N 3.35Å; I570-K572 PolarHBondContact O-N 3.43Å; I570-S573 PolarHBondContact O-N 3.12Å; I570-S573 PolarHBondContact O-OG 2.97Å; I570-L586 HydrophobicContact CG1-CD1 4.31Å
571	C	56.6	Low	59.7	Low	111 Å²	111	95.4 Å²	95.4	75%	0.75	56%	0.561	S	S	*	*	H	α-helix	trans	-71.1	-24.5	179.7	-69.4	0	0	0	0	114.5	K567 L568 L569	K567-C571 WeakPolarHBondContact O-CB 3.46Å; K567-C571 PolarHBondContact O-N 3.23Å; K567-C571 PolarHBondContact O-SG 3.23Å; L568-C571 PolarHBondContact O-N 2.84Å; L569-C571 PolarHBondContact O-N 3.35Å
572	K	58.4	Low	58.6	Low	162 Å²	162	94.2 Å²	94.2	70%	0.704	55%	0.551	S	S	*	*	H	α-helix	trans	-94.7	-2.6	179.4	-74.3	-177.4	177.7	-179.4	0	114	L568 L569 I570 S574	L568-K572 VanDerWaalsContact O-CB 3.29Å; L568-K572 WeakPolarHBondContact O-CB 3.49Å; L568-K572 WeakPolarHBondContact O-CG 3.3Å; L568-K572 PolarHBondContact O-N 2.93Å; L569-K572 PolarHBondContact O-N 2.87Å; I570-K572 PolarHBondContact O-N 3.43Å; K572-S574 PolarHBondContact O-N 3.36Å
573	S	48	Very low	57.6	Low	84 Å²	84	95.9 Å²	95.9	59%	0.587	56%	0.561	S	S	*	*			trans	-60.5	115.5	177.4	57.6	0	0	0	0	110	L569 I570	L569-S573 PolarHBondContact O-N 2.85Å; L569-S573 VanDerWaalsContact O-N 3.14Å; I570-S573 PolarHBondContact O-N 3.12Å; I570-S573 PolarHBondContact O-OG 2.97Å
574	S	47.3	Very low	57.3	Low	80 Å²	80	96.3 Å²	96.3	56%	0.559	56%	0.564	S	S	*	*			trans	-64.6	149.5	-165.7	86.5	0	0	0	0	111.8	K572 G576	K572-S574 PolarHBondContact O-N 3.36Å; S574-G576 PolarHBondContact O-N 3.33Å
575	P	46.2	Very low	56.9	Low	145 Å²	145	97.5 Å²	97.5	94%	0.942	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	12	-173.3	-17	31.3	0	0	0	116.3
576	G	52.1	Low	56.5	Low	68 Å²	68	95.2 Å²	95.2	70%	0.701	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-4.1	-171.8	0	0	0	0	0	116.4	S574	S574-G576 PolarHBondContact O-N 3.33Å
577	M	46.4	Very low	56.8	Low	122 Å²	122	97.2 Å²	97.2	60%	0.601	57%	0.568	S	S	*	*	S	Bend	trans	-89.5	120.2	179.6	-77.2	-95.4	152.7	0	0	110.4	S579 A582	M577-S579 PolarHBondContact O-N 3.01Å; M577-A582 HydrophobicContact CB-CB 3.85Å
578	T	45.2	Very low	57.1	Low	102 Å²	102	97.5 Å²	97.5	63%	0.626	57%	0.571	S	S	*	*			trans	-53.1	129	174	46	0	0	0	0	110.1	T580 S581 A582	T578-T580 PolarHBondContact O-N 2.88Å; T578-S581 PolarHBondContact O-N 2.94Å; T578-S581 PolarHBondContact O-OG 2.99Å; T578-S581 PolarHBondContact OG1-OG 3.47Å; T578-A582 PolarHBondContact O-N 3.11Å
579	S	52.7	Low	57.2	Low	99 Å²	99	96.4 Å²	96.4	69%	0.692	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-13.2	-165.3	54.6	0	0	0	0	116.6	M577 L583	M577-S579 PolarHBondContact O-N 3.01Å; S579-L583 WeakPolarHBondContact O-CB 3.4Å
580	T	52.8	Low	57.3	Low	98 Å²	98	94.1 Å²	94.1	60%	0.601	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	-40.1	175.2	46.8	0	0	0	0	113	T578 L583 D584	T578-T580 PolarHBondContact O-N 2.88Å; T580-L583 PolarHBondContact O-N 2.95Å; T580-D584 WeakPolarHBondContact O-CB 3.44Å; T580-D584 PolarHBondContact O-N 3.22Å
581	S	56.8	Low	57.7	Low	43 Å²	43	92.5 Å²	92.5	30%	0.301	56%	0.559	S	S	.	*	H	α-helix	trans	-73.1	-43.3	179.9	66.9	0	0	0	0	111.4	T578 L583 D584 D585	T578-S581 PolarHBondContact O-N 2.94Å; T578-S581 PolarHBondContact O-OG 2.99Å; T578-S581 PolarHBondContact OG1-OG 3.47Å; S581-L583 VanDerWaalsContact C-N 3.26Å; S581-L583 PolarHBondContact O-N 2.97Å; S581-D584 PolarHBondContact O-N 3.25Å; S581-D585 WeakPolarHBondContact O-CB 3.49Å; S581-D585 VanDerWaalsContact O-CG 3.29Å; S581-D585 PolarHBondContact O-N 2.94Å
582	A	54.9	Low	58.5	Low	35 Å²	35	89.6 Å²	89.6	29%	0.289	54%	0.54	S	S	.	.	H	α-helix	trans	-62	-35.4	174.8	0	0	0	0	0	112.2	M577 T578 L586	M577-A582 HydrophobicContact CB-CB 3.85Å; T578-A582 PolarHBondContact O-N 3.11Å; A582-L586 WeakPolarHBondContact O-CB 3.41Å; A582-L586 PolarHBondContact O-N 3.4Å
583	L	53.9	Low	58.9	Low	93 Å²	93	84.3 Å²	84.3	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-74.4	-40.4	178.9	-174.3	69.9	0	0	0	111.8	S579 T580 S581 L586 L587	S579-L583 WeakPolarHBondContact O-CB 3.4Å; T580-L583 PolarHBondContact O-N 2.95Å; S581-L583 VanDerWaalsContact C-N 3.26Å; S581-L583 PolarHBondContact O-N 2.97Å; L583-L586 PolarHBondContact O-N 3.4Å; L583-L587 HydrophobicContact CG-CD1 4.19Å; L583-L587 WeakPolarHBondContact O-CB 3.47Å; L583-L587 VanDerWaalsContact O-CG 3.28Å; L583-L587 WeakPolarHBondContact O-CG 3.38Å; L583-L587 PolarHBondContact O-N 2.97Å
584	D	65.4	Low	59.7	Low	101 Å²	101	89.8 Å²	89.8	54%	0.54	53%	0.527	S	S	.	.	H	α-helix	trans	-64.9	-44.3	174.1	-78.4	-19.3	0	0	0	110.6	T580 S581 L586 L587 Q588	T580-D584 WeakPolarHBondContact O-CB 3.44Å; T580-D584 PolarHBondContact O-N 3.22Å; S581-D584 PolarHBondContact O-N 3.25Å; D584-L586 VanDerWaalsContact C-N 3.34Å; D584-L586 PolarHBondContact O-N 3.39Å; D584-L587 PolarHBondContact O-N 3.23Å; D584-Q588 VanDerWaalsContact O-CB 3.25Å; D584-Q588 WeakPolarHBondContact O-CB 3.27Å; D584-Q588 PolarHBondContact O-N 2.97Å
585	D	68	Low	60.9	Low	92 Å²	92	93.6 Å²	93.6	49%	0.492	53%	0.529	S	S	.	.	H	α-helix	trans	-60.1	-43.1	173.7	-74	-20.6	0	0	0	111.2	S581 Q588 T589	S581-D585 WeakPolarHBondContact O-CB 3.49Å; S581-D585 VanDerWaalsContact O-CG 3.29Å; S581-D585 PolarHBondContact O-N 2.94Å; D585-Q588 PolarHBondContact O-N 3.31Å; D585-T589 WeakPolarHBondContact O-CB 3.4Å; D585-T589 PolarHBondContact O-N 3.1Å; D585-T589 PolarHBondContact O-OG1 3.37Å
586	L	64.6	Low	62.1	Low	74 Å²	74	91.5 Å²	91.5	39%	0.387	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-44.3	177.1	-161.3	92.1	0	0	0	111.6	I570 A582 L583 D584 Q588 T589 V590	I570-L586 HydrophobicContact CG1-CD1 4.31Å; A582-L586 WeakPolarHBondContact O-CB 3.41Å; A582-L586 PolarHBondContact O-N 3.4Å; L583-L586 PolarHBondContact O-N 3.4Å; D584-L586 VanDerWaalsContact C-N 3.34Å; D584-L586 PolarHBondContact O-N 3.39Å; L586-Q588 VanDerWaalsContact C-N 3.33Å; L586-Q588 PolarHBondContact O-N 3.12Å; L586-T589 PolarHBondContact O-N 2.9Å; L586-V590 WeakPolarHBondContact O-CB 3.41Å; L586-V590 VanDerWaalsContact O-CG2 3.26Å; L586-V590 WeakPolarHBondContact O-CG2 3.49Å; L586-V590 PolarHBondContact O-N 3.22Å
587	L	68.6	Low	62.6	Low	101 Å²	101	91.2 Å²	91.2	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-64.1	-39.5	177.8	-78.6	169.5	0	0	0	111.6	L583 D584 V590 A591	L583-L587 HydrophobicContact CG-CD1 4.19Å; L583-L587 WeakPolarHBondContact O-CB 3.47Å; L583-L587 VanDerWaalsContact O-CG 3.28Å; L583-L587 WeakPolarHBondContact O-CG 3.38Å; L583-L587 PolarHBondContact O-N 2.97Å; D584-L587 PolarHBondContact O-N 3.23Å; L587-V590 PolarHBondContact O-N 2.88Å; L587-A591 VanDerWaalsContact O-CB 3.31Å; L587-A591 WeakPolarHBondContact O-CB 3.5Å; L587-A591 PolarHBondContact O-N 3.45Å
588	Q	73.1	Confident	63.3	Low	140 Å²	140	87.3 Å²	87.3	65%	0.654	48%	0.48	S	S	*	.	H	α-helix	trans	-69.9	-38	178	-157.6	162.4	-3	0	0	111	D584 D585 L586 A591 S592	D584-Q588 VanDerWaalsContact O-CB 3.25Å; D584-Q588 WeakPolarHBondContact O-CB 3.27Å; D584-Q588 PolarHBondContact O-N 2.97Å; D585-Q588 PolarHBondContact O-N 3.31Å; L586-Q588 VanDerWaalsContact C-N 3.33Å; L586-Q588 PolarHBondContact O-N 3.12Å; Q588-A591 PolarHBondContact O-N 2.85Å; Q588-S592 WeakPolarHBondContact O-CB 3.27Å; Q588-S592 PolarHBondContact O-N 2.6Å
589	T	70.2	Confident	64.6	Low	77 Å²	77	88 Å²	88	47%	0.472	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-46.6	172.8	-52.2	0	0	0	0	111.2	D585 L586 A591 S592 L593	D585-T589 WeakPolarHBondContact O-CB 3.4Å; D585-T589 PolarHBondContact O-N 3.1Å; D585-T589 PolarHBondContact O-OG1 3.37Å; L586-T589 PolarHBondContact O-N 2.9Å; T589-A591 PolarHBondContact O-N 3.43Å; T589-S592 WeakPolarHBondContact O-CB 3.27Å; T589-S592 PolarHBondContact O-N 3.32Å; T589-L593 HydrophobicContact CG2-CD1 4.24Å; T589-L593 WeakPolarHBondContact O-CG 3.48Å; T589-L593 PolarHBondContact O-N 2.73Å
590	V	65.3	Low	65.1	Low	62 Å²	62	91.8 Å²	91.8	38%	0.376	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-41	176.7	170.1	0	0	0	0	111.5	L586 L587 S592 R594	L586-V590 WeakPolarHBondContact O-CB 3.41Å; L586-V590 VanDerWaalsContact O-CG2 3.26Å; L586-V590 WeakPolarHBondContact O-CG2 3.49Å; L586-V590 PolarHBondContact O-N 3.22Å; L587-V590 PolarHBondContact O-N 2.88Å; V590-S592 VanDerWaalsContact C-N 3.34Å; V590-R594 VanDerWaalsContact O-CB 3.3Å; V590-R594 WeakPolarHBondContact O-CB 3.43Å; V590-R594 PolarHBondContact O-N 2.87Å
591	A	65	Low	65.3	Low	54 Å²	54	91.4 Å²	91.4	45%	0.446	47%	0.468	S	S	.	.	H	α-helix	trans	-65.2	-38.1	176.2	0	0	0	0	0	112.1	L587 Q588 T589 R595	L587-A591 VanDerWaalsContact O-CB 3.31Å; L587-A591 WeakPolarHBondContact O-CB 3.5Å; L587-A591 PolarHBondContact O-N 3.45Å; Q588-A591 PolarHBondContact O-N 2.85Å; T589-A591 PolarHBondContact O-N 3.43Å; A591-R595 PolarHBondContact O-N 2.86Å; A591-R595 VanDerWaalsContact O-N 3.09Å
592	S	73	Confident	65.3	Low	49 Å²	49	91.6 Å²	91.6	34%	0.343	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-50.3	174.8	-176.5	0	0	0	0	111.8	Q588 T589 V590 R594 R595 Q596	Q588-S592 WeakPolarHBondContact O-CB 3.27Å; Q588-S592 PolarHBondContact O-N 2.6Å; T589-S592 WeakPolarHBondContact O-CB 3.27Å; T589-S592 PolarHBondContact O-N 3.32Å; V590-S592 VanDerWaalsContact C-N 3.34Å; S592-R594 VanDerWaalsContact C-N 3.31Å; S592-R594 PolarHBondContact O-N 2.88Å; S592-R595 PolarHBondContact O-N 3.28Å; S592-R595 VanDerWaalsContact O-N 3.14Å; S592-Q596 PolarHBondContact O-N 3.31Å
593	L	66.9	Low	65.5	Low	52 Å²	52	92 Å²	92	27%	0.272	48%	0.476	S	S	.	.	H	α-helix	trans	-60.3	-41.4	178	-72.5	170.8	0	0	0	111.5	T589 R595 Q596 L597	T589-L593 HydrophobicContact CG2-CD1 4.24Å; T589-L593 WeakPolarHBondContact O-CG 3.48Å; T589-L593 PolarHBondContact O-N 2.73Å; L593-R595 VanDerWaalsContact C-N 3.31Å; L593-R595 PolarHBondContact O-N 3.19Å; L593-Q596 PolarHBondContact O-N 2.94Å; L593-L597 WeakPolarHBondContact O-CB 3.28Å; L593-L597 PolarHBondContact O-N 2.91Å
594	R	65	Low	65.4	Low	198 Å²	198	95.6 Å²	95.6	75%	0.747	48%	0.484	S	S	*	.	H	α-helix	trans	-65.8	-33.4	177.6	-155.3	176.8	-168.4	176.9	3.8	112.7	V590 S592 G598	V590-R594 VanDerWaalsContact O-CB 3.3Å; V590-R594 WeakPolarHBondContact O-CB 3.43Å; V590-R594 PolarHBondContact O-N 2.87Å; S592-R594 VanDerWaalsContact C-N 3.31Å; S592-R594 PolarHBondContact O-N 2.88Å; R594-G598 PolarHBondContact O-N 3.04Å; R594-G598 VanDerWaalsContact O-N 3.11Å
595	R	72	Confident	64.8	Low	160 Å²	160	97.2 Å²	97.2	60%	0.604	49%	0.489	S	S	*	.	H	α-helix	trans	-70.1	-46.5	173.6	-168.2	-175.4	-69.1	128.1	-2.6	110.9	A591 S592 L593 L597 G598 E599	A591-R595 PolarHBondContact O-N 2.86Å; A591-R595 VanDerWaalsContact O-N 3.09Å; S592-R595 PolarHBondContact O-N 3.28Å; S592-R595 VanDerWaalsContact O-N 3.14Å; L593-R595 VanDerWaalsContact C-N 3.31Å; L593-R595 PolarHBondContact O-N 3.19Å; R595-L597 VanDerWaalsContact C-N 3.31Å; R595-L597 PolarHBondContact O-N 3.06Å; R595-G598 PolarHBondContact O-N 3.26Å; R595-G598 VanDerWaalsContact O-N 3.14Å; R595-E599 WeakPolarHBondContact CG-OE1 3.28Å; R595-E599 WeakPolarHBondContact O-CG 3.44Å; R595-E599 PolarHBondContact O-N 3.04Å
596	Q	71.8	Confident	64	Low	102 Å²	102	100 Å²	100	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-61	-38.3	175.7	-72.8	-179.9	-7.5	0	0	112.5	S592 L593 E599 R600	S592-Q596 PolarHBondContact O-N 3.31Å; L593-Q596 PolarHBondContact O-N 2.94Å; Q596-E599 PolarHBondContact O-N 3Å; Q596-R600 WeakPolarHBondContact O-CB 3.18Å; Q596-R600 WeakPolarHBondContact O-CG 3.34Å; Q596-R600 PolarHBondContact O-N 3.06Å
597	L	62.7	Low	63.3	Low	62 Å²	62	101 Å²	101	33%	0.325	50%	0.504	S	S	.	.	H	α-helix	trans	-64.8	-42.9	174.5	-169.6	73.7	0	0	0	111.1	L559 L593 R595 R600 I601	L559-L597 HydrophobicContact CD2-CD1 4.05Å; L559-L597 HydrophobicContact CD2-CD2 4.14Å; L593-L597 WeakPolarHBondContact O-CB 3.28Å; L593-L597 PolarHBondContact O-N 2.91Å; R595-L597 VanDerWaalsContact C-N 3.31Å; R595-L597 PolarHBondContact O-N 3.06Å; L597-R600 PolarHBondContact O-N 3.37Å; L597-I601 HydrophobicContact CG-CD1 4.11Å; L597-I601 VanDerWaalsContact O-CG1 3.25Å; L597-I601 WeakPolarHBondContact O-CG1 3.44Å; L597-I601 PolarHBondContact O-N 2.84Å
598	G	60.6	Low	62.1	Low	40 Å²	40	100.1 Å²	100.1	41%	0.412	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-43.3	175.1	0	0	0	0	0	113.2	R594 R595 I601 A602	R594-G598 PolarHBondContact O-N 3.04Å; R594-G598 VanDerWaalsContact O-N 3.11Å; R595-G598 PolarHBondContact O-N 3.26Å; R595-G598 VanDerWaalsContact O-N 3.14Å; G598-I601 PolarHBondContact O-N 3.43Å; G598-A602 WeakPolarHBondContact O-CB 3.39Å; G598-A602 PolarHBondContact O-N 2.83Å
599	E	72.5	Confident	60.8	Low	117 Å²	117	98.4 Å²	98.4	55%	0.547	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.3	-73.1	167.8	-173.8	0	0	111.8	R595 Q596 A602 A603	R595-E599 WeakPolarHBondContact CG-OE1 3.28Å; R595-E599 WeakPolarHBondContact O-CG 3.44Å; R595-E599 PolarHBondContact O-N 3.04Å; Q596-E599 PolarHBondContact O-N 3Å; E599-A602 PolarHBondContact O-N 3.01Å; E599-A603 WeakPolarHBondContact O-CB 3.36Å; E599-A603 PolarHBondContact O-N 3.21Å
600	R	64.7	Low	59.4	Low	177 Å²	177	96.7 Å²	96.7	67%	0.668	48%	0.483	S	S	*	.	H	α-helix	trans	-64.9	-44.8	174.4	-81.2	-175.4	166.9	-172.7	-3.3	112.1	Q596 L597 A602 A603 Y604	Q596-R600 WeakPolarHBondContact O-CB 3.18Å; Q596-R600 WeakPolarHBondContact O-CG 3.34Å; Q596-R600 PolarHBondContact O-N 3.06Å; L597-R600 PolarHBondContact O-N 3.37Å; R600-A602 VanDerWaalsContact C-N 3.33Å; R600-A602 PolarHBondContact O-N 3.36Å; R600-A603 PolarHBondContact O-N 2.92Å; R600-Y604 WeakPolarHBondContact O-CD2 3.38Å; R600-Y604 PolarHBondContact O-N 2.87Å
601	I	56	Low	58.3	Low	90 Å²	90	100.3 Å²	100.3	46%	0.462	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-45.9	177.3	-69.8	165.9	0	0	0	110.3	L597 G598 Y604 E605	L597-I601 HydrophobicContact CG-CD1 4.11Å; L597-I601 VanDerWaalsContact O-CG1 3.25Å; L597-I601 WeakPolarHBondContact O-CG1 3.44Å; L597-I601 PolarHBondContact O-N 2.84Å; G598-I601 PolarHBondContact O-N 3.43Å; I601-Y604 PolarHBondContact O-N 3.4Å; I601-E605 PolarHBondContact O-N 2.88Å
602	A	57.8	Low	57.5	Low	48 Å²	48	104.6 Å²	104.6	40%	0.397	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177	0	0	0	0	0	112.5	G598 E599 R600 Y604 E605 E606	G598-A602 WeakPolarHBondContact O-CB 3.39Å; G598-A602 PolarHBondContact O-N 2.83Å; E599-A602 PolarHBondContact O-N 3.01Å; R600-A602 VanDerWaalsContact C-N 3.33Å; R600-A602 PolarHBondContact O-N 3.36Å; A602-Y604 VanDerWaalsContact C-N 3.29Å; A602-Y604 PolarHBondContact O-N 3.3Å; A602-E605 PolarHBondContact O-N 2.91Å; A602-E606 PolarHBondContact O-N 2.77Å
603	A	59.7	Low	56.2	Low	43 Å²	43	108.4 Å²	108.4	36%	0.355	52%	0.521	S	S	.	.	H	α-helix	trans	-66.3	-29.5	176.9	0	0	0	0	0	113.1	E599 R600 N607	E599-A603 WeakPolarHBondContact O-CB 3.36Å; E599-A603 PolarHBondContact O-N 3.21Å; R600-A603 PolarHBondContact O-N 2.92Å; A603-N607 WeakPolarHBondContact O-CB 3.39Å; A603-N607 PolarHBondContact O-N 3.48Å; A603-N607 VanDerWaalsContact O-N 3.12Å; A603-N607 PolarHBondContact O-ND2 3.07Å
604	Y	51.1	Low	55.1	Low	168 Å²	168	110 Å²	110	66%	0.659	53%	0.528	S	S	*	.	H	α-helix	trans	-75.9	-34.3	173.6	-83.6	-66.6	0	0	0	112.4	R600 I601 A602 Y608	R600-Y604 WeakPolarHBondContact O-CD2 3.38Å; R600-Y604 PolarHBondContact O-N 2.87Å; I601-Y604 PolarHBondContact O-N 3.4Å; A602-Y604 VanDerWaalsContact C-N 3.29Å; A602-Y604 PolarHBondContact O-N 3.3Å; Y604-Y608 VanDerWaalsContact O-CB 3.3Å; Y604-Y608 WeakPolarHBondContact O-CB 3.48Å; Y604-Y608 PolarHBondContact O-N 2.71Å
605	E	51.8	Low	53.9	Low	136 Å²	136	103 Å²	103	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-63.3	-44.1	171.6	-75.9	-178.2	162.6	0	0	111.3	I601 A602 Y608 D609	I601-E605 PolarHBondContact O-N 2.88Å; A602-E605 PolarHBondContact O-N 2.91Å; E605-Y608 PolarHBondContact O-N 3.12Å; E605-D609 PolarHBondContact O-N 2.86Å
606	E	50.9	Low	52.7	Low	151 Å²	151	98.2 Å²	98.2	71%	0.706	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-40.5	176.1	-77	-176.6	163.2	0	0	112.9	A602 Y608 D609 A610	A602-E606 PolarHBondContact O-N 2.77Å; E606-Y608 VanDerWaalsContact C-N 3.33Å; E606-Y608 PolarHBondContact O-N 3.04Å; E606-D609 PolarHBondContact O-N 3.43Å; E606-A610 PolarHBondContact O-N 3.07Å
607	N	51.8	Low	51.2	Low	95 Å²	95	98.2 Å²	98.2	51%	0.508	51%	0.506	S	S	.	.	H	α-helix	trans	-70.8	-27.4	176.6	-81.8	-39.1	0	0	0	113.2	A603 A610 Q611	A603-N607 WeakPolarHBondContact O-CB 3.39Å; A603-N607 PolarHBondContact O-N 3.48Å; A603-N607 VanDerWaalsContact O-N 3.12Å; A603-N607 PolarHBondContact O-ND2 3.07Å; N607-A610 PolarHBondContact O-N 2.87Å; N607-Q611 PolarHBondContact O-N 2.94Å
608	Y	42.6	Very low	50.1	Low	81 Å²	81	100.4 Å²	100.4	32%	0.318	52%	0.517	S	S	.	.	H	α-helix	trans	-68.6	-39.2	176.5	-172	-98.7	0	0	0	111.5	K548 Y604 E605 E606 Q611 K612	K548-Y608 WeakPolarHBondContact CE-OH 3.5Å; Y604-Y608 VanDerWaalsContact O-CB 3.3Å; Y604-Y608 WeakPolarHBondContact O-CB 3.48Å; Y604-Y608 PolarHBondContact O-N 2.71Å; E605-Y608 PolarHBondContact O-N 3.12Å; E606-Y608 VanDerWaalsContact C-N 3.33Å; E606-Y608 PolarHBondContact O-N 3.04Å; Y608-Q611 PolarHBondContact O-N 2.89Å; Y608-K612 PolarHBondContact O-N 2.89Å; Y608-K612 VanDerWaalsContact O-N 3.14Å
609	D	46.2	Very low	49.2	Very low	105 Å²	105	102.7 Å²	102.7	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-66.1	-37.9	173.8	-78.4	-20.1	0	0	0	111.7	E605 E606 K612 L613	E605-D609 PolarHBondContact O-N 2.86Å; E606-D609 PolarHBondContact O-N 3.43Å; D609-K612 PolarHBondContact O-N 3.34Å; D609-L613 PolarHBondContact O-N 2.93Å
610	A	41.4	Very low	47.7	Very low	40 Å²	40	102 Å²	102	33%	0.331	52%	0.516	S	S	.	.	H	α-helix	trans	-66.8	-41.3	175.6	0	0	0	0	0	113.3	E606 N607 K612 L613 I614	E606-A610 PolarHBondContact O-N 3.07Å; N607-A610 PolarHBondContact O-N 2.87Å; A610-K612 VanDerWaalsContact C-N 3.32Å; A610-K612 PolarHBondContact O-N 2.96Å; A610-L613 WeakPolarHBondContact O-CB 3.15Å; A610-L613 PolarHBondContact O-N 3.44Å; A610-I614 WeakPolarHBondContact O-CG1 3.39Å; A610-I614 PolarHBondContact O-N 2.92Å; A610-I614 VanDerWaalsContact O-N 3.13Å
611	Q	41.8	Very low	46.3	Very low	139 Å²	139	96.4 Å²	96.4	65%	0.65	51%	0.507	S	S	*	.	H	α-helix	trans	-68.4	-31.3	177.4	-76.1	-177.7	-6.8	0	0	112.6	N607 Y608 L613 I614 A615	N607-Q611 PolarHBondContact O-N 2.94Å; Y608-Q611 PolarHBondContact O-N 2.89Å; Q611-L613 VanDerWaalsContact C-N 3.25Å; Q611-L613 PolarHBondContact O-N 3.26Å; Q611-I614 PolarHBondContact O-N 3.33Å; Q611-A615 PolarHBondContact O-N 3.43Å
612	K	48.3	Very low	45.5	Very low	143 Å²	143	98.3 Å²	98.3	62%	0.622	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-26.5	173.8	-150.3	-179.3	-177.4	-167.2	0	112.6	Y608 D609 A610	Y608-K612 PolarHBondContact O-N 2.89Å; Y608-K612 VanDerWaalsContact O-N 3.14Å; D609-K612 PolarHBondContact O-N 3.34Å; A610-K612 VanDerWaalsContact C-N 3.32Å; A610-K612 PolarHBondContact O-N 2.96Å
613	L	45.9	Very low	44.6	Very low	130 Å²	130	100.6 Å²	100.6	68%	0.681	53%	0.526	S	S	*	.	H	α-helix	trans	-82.1	-27.5	174.6	-85.4	154.5	0	0	0	113.7	D609 A610 Q611 P616	D609-L613 PolarHBondContact O-N 2.93Å; A610-L613 WeakPolarHBondContact O-CB 3.15Å; A610-L613 PolarHBondContact O-N 3.44Å; Q611-L613 VanDerWaalsContact C-N 3.25Å; Q611-L613 PolarHBondContact O-N 3.26Å; L613-P616 WeakPolarHBondContact O-CD 3.26Å
614	I	41.9	Very low	43.6	Very low	85 Å²	85	106.3 Å²	106.3	44%	0.436	55%	0.545	S	S	.	.	H	α-helix	trans	-87.7	-24	-178.6	-63.1	164.5	0	0	0	112.2	A610 Q611 L617 L618	A610-I614 WeakPolarHBondContact O-CG1 3.39Å; A610-I614 PolarHBondContact O-N 2.92Å; A610-I614 VanDerWaalsContact O-N 3.13Å; Q611-I614 PolarHBondContact O-N 3.33Å; I614-L617 WeakPolarHBondContact O-CB 3.45Å; I614-L617 PolarHBondContact O-N 3.32Å; I614-L618 HydrophobicContact CG2-CD1 3.84Å; I614-L618 HydrophobicContact CG2-CG 3.99Å; I614-L618 PolarHBondContact O-N 3.12Å; I614-L618 VanDerWaalsContact O-N 3.08Å
615	A	41.7	Very low	42.9	Very low	51 Å²	51	103.1 Å²	103.1	42%	0.421	54%	0.544	S	S	.	.	H	α-helix	trans	-57.9	-35.5	-178.3	0	0	0	0	0	115.2	Q611	Q611-A615 PolarHBondContact O-N 3.43Å
616	P	45.6	Very low	42.2	Very low	60 Å²	60	103.1 Å²	103.1	39%	0.39	55%	0.548	S	S	.	.	H	α-helix	trans	-68.1	-37.7	170.5	-19.2	32.8	0	0	0	112.9	L613 L618 K619 D620	L613-P616 WeakPolarHBondContact O-CD 3.26Å; P616-L618 PolarHBondContact O-N 3.11Å; P616-K619 PolarHBondContact O-N 3.05Å; P616-D620 PolarHBondContact O-N 2.93Å
617	L	40.1	Very low	41.6	Very low	102 Å²	102	103 Å²	103	53%	0.534	55%	0.552	S	S	.	*	H	α-helix	trans	-71.3	-29.1	-176.7	-77.6	161.9	0	0	0	113.8	I614 K619	I614-L617 WeakPolarHBondContact O-CB 3.45Å; I614-L617 PolarHBondContact O-N 3.32Å; L617-K619 VanDerWaalsContact C-N 3.34Å
618	L	39.6	Very low	40.7	Very low	107 Å²	107	106.5 Å²	106.5	56%	0.56	57%	0.57	S	S	*	*	H	α-helix	trans	-75.2	-24.8	173.8	-74.9	168.1	0	0	0	112.5	I614 P616 A621 E622	I614-L618 HydrophobicContact CG2-CD1 3.84Å; I614-L618 HydrophobicContact CG2-CG 3.99Å; I614-L618 PolarHBondContact O-N 3.12Å; I614-L618 VanDerWaalsContact O-N 3.08Å; P616-L618 PolarHBondContact O-N 3.11Å; L618-A621 PolarHBondContact O-N 3.3Å; L618-E622 PolarHBondContact O-N 3.49Å; L618-E622 VanDerWaalsContact O-N 3.11Å
619	K	42.2	Very low	40.3	Very low	88 Å²	88	106.6 Å²	106.6	38%	0.383	59%	0.587	S	S	.	*	H	α-helix	trans	-80.2	-31.9	-178.9	-138.6	172.1	-172.4	173.5	0	112.7	M540 P616 L617 A621 E622 C623	M540-K619 PolarHBondContact SD-NZ 3.4Å; M540-K619 VanDerWaalsContact SD-NZ 3.43Å; P616-K619 PolarHBondContact O-N 3.05Å; L617-K619 VanDerWaalsContact C-N 3.34Å; K619-A621 VanDerWaalsContact C-N 3.28Å; K619-E622 PolarHBondContact O-N 3.36Å; K619-C623 WeakPolarHBondContact O-CB 3.33Å; K619-C623 PolarHBondContact O-N 2.86Å
620	D	41.1	Very low	39.7	Very low	103 Å²	103	110.3 Å²	110.3	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-70	-25.8	169.8	-79	-27.9	0	0	0	112.5	P616	P616-D620 PolarHBondContact O-N 2.93Å
621	A	35.1	Very low	39.2	Very low	59 Å²	59	112.9 Å²	112.9	49%	0.488	62%	0.616	S	S	.	*	H	α-helix	trans	-77.9	-34.3	173.5	0	0	0	0	0	113.1	L618 K619	L618-A621 PolarHBondContact O-N 3.3Å; K619-A621 VanDerWaalsContact C-N 3.28Å
622	E	39.2	Very low	38.7	Very low	131 Å²	131	113.3 Å²	113.3	61%	0.612	62%	0.623	S	S	*	*	H	α-helix	trans	-80.7	-30.2	177	-75.4	178.8	166.7	0	0	113	L618 K619 Q624 T625	L618-E622 PolarHBondContact O-N 3.49Å; L618-E622 VanDerWaalsContact O-N 3.11Å; K619-E622 PolarHBondContact O-N 3.36Å; E622-Q624 PolarHBondContact O-N 3.29Å; E622-T625 PolarHBondContact O-N 3.49Å; E622-T625 PolarHBondContact O-OG1 2.84Å
623	C	39.3	Very low	37.9	Very low	95 Å²	95	118 Å²	118	64%	0.642	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-9.2	174.6	-90.2	0	0	0	0	114.7	K619	K619-C623 WeakPolarHBondContact O-CB 3.33Å; K619-C623 PolarHBondContact O-N 2.86Å
624	Q	38.7	Very low	37.3	Very low	163 Å²	163	117 Å²	117	76%	0.762	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-10	171.7	-70.2	-173	13.8	0	0	113.6	E622	E622-Q624 PolarHBondContact O-N 3.29Å
625	T	36.9	Very low	37	Very low	102 Å²	102	121.3 Å²	121.3	63%	0.626	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	-9.5	-177.3	40.2	0	0	0	0	115.4	E622	E622-T625 PolarHBondContact O-N 3.49Å; E622-T625 PolarHBondContact O-OG1 2.84Å
626	D	35.9	Very low	36.5	Very low	135 Å²	135	123.6 Å²	123.6	72%	0.722	67%	0.666	S	S	*	*			trans	-98.9	10.5	-175.2	-81.1	-14.1	0	0	0	115.9	L628	D626-L628 PolarHBondContact O-N 3.47Å
627	N	38	Very low	35.7	Very low	150 Å²	150	127.6 Å²	127.6	80%	0.802	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	21.9	174.2	-84.4	-37.1	0	0	0	114.8
628	L	32.9	Very low	35.4	Very low	167 Å²	167	129.2 Å²	129.2	87%	0.874	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.7	44	-170.5	-101.1	144.8	0	0	0	113.6	D626	D626-L628 PolarHBondContact O-N 3.47Å
629	A	34.5	Very low	35.1	Very low	83 Å²	83	129.4 Å²	129.4	69%	0.686	70%	0.697	S	S	*	*			trans	-157.9	103.1	163.4	0	0	0	0	0	114.1
630	H	34.7	Very low	34.7	Very low	183 Å²	183	131.3 Å²	131.3	85%	0.847	71%	0.712	S	S	*	*			trans	41.7	108.8	140	-60.2	-46.1	0	0	0	119.9
631	S	29.4	Very low	34.4	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	71%	0.714	S	S	*	*				85.3	113.8	88.2	176	0	0	0	0	114.2
632	D	32.2	Very low	34.5	Very low	148 Å²	148	136.2 Å²	136.2	79%	0.791	72%	0.719	S	S	*	*			trans	55.9	106.5	144.8	-56.8	-45.7	0	0	0	120.1
633	R	31.7	Very low	34.2	Very low	241 Å²	241	136.5 Å²	136.5	91%	0.909	72%	0.72	S	S	*	*				151.2	131	101.2	-161.7	171.5	-168.4	179.3	2.6	112.4
634	P	33.4	Very low	33.8	Very low	111 Å²	111	138 Å²	138	72%	0.721	72%	0.72	S	S	*	*			trans	-103.1	-177.7	-178.5	39.6	-32.7	0	0	0	113.2
635	Q	34.7	Very low	33.5	Very low	175 Å²	175	137.8 Å²	137.8	82%	0.818	72%	0.724	S	S	*	*			trans	106.6	132.4	173.3	-66.2	-175.2	-9.9	0	0	112.6
636	T	31.1	Very low	33.3	Very low	99 Å²	99	141 Å²	141	61%	0.607	73%	0.732	S	S	*	*			cis	178.5	150.9	29.8	5.3	0	0	0	0	109.9
637	L	29.4	Very low	33.1	Very low	143 Å²	143	140.4 Å²	140.4	75%	0.749	73%	0.733	S	S	*	*			trans	70.4	144.6	142.5	-56.2	158.1	0	0	0	117.9
638	L	32.6	Very low	32.8	Very low	137 Å²	137	137.7 Å²	137.7	72%	0.717	73%	0.731	S	S	*	*			cis	-168.6	149.4	-0.2	-111.1	165.8	0	0	0	107.9
639	T	33.3	Very low	32.6	Very low	110 Å²	110	136.8 Å²	136.8	68%	0.675	73%	0.727	S	S	*	*			trans	-61.1	162	160.2	38.2	0	0	0	0	113.6
640	D	35.2	Very low	32.7	Very low	129 Å²	129	142.3 Å²	142.3	69%	0.69	74%	0.739	S	S	*	*			trans	160.3	142.2	133.2	-83.9	-1.8	0	0	0	108.4
641	E	33.8	Very low	32.3	Very low	128 Å²	128	139.9 Å²	139.9	60%	0.598	74%	0.737	S	S	*	*			cis	-175.9	156.8	11.6	-119.5	-176.7	159.4	0	0	108.2
642	K	36.8	Very low	32.6	Very low	136 Å²	136	145 Å²	145	59%	0.591	75%	0.751	S	S	*	*			trans	77.4	141.6	139.2	-76	176	175.9	141.1	0	120.3
643	E	33.1	Very low	32.6	Very low	138 Å²	138	143.3 Å²	143.3	65%	0.645	75%	0.75	S	S	*	*			cis	-171.9	130.2	1	-132.1	157.2	-173	0	0	109.6
644	I	30.6	Very low	32.5	Very low	125 Å²	125	140.5 Å²	140.5	64%	0.641	75%	0.748	S	S	*	*				52.6	124.9	124.8	-49.7	178.5	0	0	0	120.7
645	L	32.5	Very low	32.4	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	75%	0.75	S	S	*	*				178.7	107.5	106.2	-117.6	108.9	0	0	0	114.6
646	E	33.1	Very low	32.1	Very low	169 Å²	169	140.1 Å²	140.1	79%	0.79	75%	0.752	S	S	*	*				7.6	145.2	118.5	-104.3	178.7	-164.4	0	0	118.3
647	V	31.2	Very low	32.2	Very low	123 Å²	123	140.7 Å²	140.7	75%	0.745	76%	0.76	S	S	*	*			cis	-167.9	148.6	36.9	176.4	0	0	0	0	109.3
648	A	32.5	Very low	32.4	Very low	93 Å²	93	138.7 Å²	138.7	77%	0.769	76%	0.758	S	S	*	*				154.2	122.8	122.1	0	0	0	0	0	114.9
649	D	29.2	Very low	32.7	Very low	148 Å²	148	139.2 Å²	139.2	79%	0.791	76%	0.76	S	S	*	*			trans	-53.9	148.9	174.7	-63.9	-57.5	0	0	0	115.3
650	E	35.3	Very low	33.3	Very low	200 Å²	200	141.3 Å²	141.3	94%	0.935	77%	0.767	S	S	*	*				-152	116.5	125.8	-89	-170.3	177.3	0	0	109.3
651	T	28.2	Very low	34	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	75%	0.749	S	S	*	*			trans	-72.5	128.9	173	38.2	0	0	0	0	112.1
652	E	35.8	Very low	34.9	Very low	201 Å²	201	132.5 Å²	132.5	94%	0.939	73%	0.733	S	S	*	*			trans	-131.5	136.7	151.4	-79.5	-164.3	161.9	0	0	110.9
653	S	30.8	Very low	35.8	Very low	112 Å²	112	131 Å²	131	78%	0.783	73%	0.727	S	S	*	*			trans	-75.7	145.1	-157.5	55.9	0	0	0	0	116
654	E	29.4	Very low	36.7	Very low	183 Å²	183	127.2 Å²	127.2	86%	0.855	71%	0.711	S	S	*	*			trans	-55.9	128.7	157.4	-66.2	179	144.5	0	0	111.5
655	A	31.3	Very low	38	Very low	92 Å²	92	123.8 Å²	123.8	76%	0.76	70%	0.696	S	S	*	*			trans	-126.7	92.2	162.7	0	0	0	0	0	109.7	S657	A655-S657 PolarHBondContact O-N 2.94Å
656	Q	28.7	Very low	39.1	Very low	185 Å²	185	117.4 Å²	117.4	86%	0.864	66%	0.662	S	S	*	*			trans	-59.7	117	157.4	-70.5	162.7	-14	0	0	108
657	S	32.7	Very low	40.3	Very low	112 Å²	112	115 Å²	115	78%	0.783	65%	0.651	S	S	*	*			trans	-113.3	111.3	171.6	61.1	0	0	0	0	111	A655	A655-S657 PolarHBondContact O-N 2.94Å
658	S	35.3	Very low	41.5	Very low	100 Å²	100	110 Å²	110	70%	0.699	62%	0.619	S	S	*	*			trans	-68.6	138.9	167.9	45.6	0	0	0	0	110.6	D660	S658-D660 PolarHBondContact O-N 3.38Å
659	I	38.3	Very low	42.7	Very low	148 Å²	148	115.2 Å²	115.2	76%	0.759	62%	0.624	S	S	*	*			trans	-78	85.2	180	-57.1	168.2	0	0	0	108.9	I679	I659-I679 HydrophobicContact CG2-CD1 4.18Å
660	D	45.7	Very low	43.9	Very low	154 Å²	154	114.2 Å²	114.2	82%	0.824	62%	0.619	S	S	*	*			trans	-128.6	48.5	176.9	-96	-25	0	0	0	112.5	S658	S658-D660 PolarHBondContact O-N 3.38Å
661	G	50.7	Low	44.6	Very low	31 Å²	31	107.4 Å²	107.4	32%	0.32	59%	0.589	S	S	.	*			trans	-90.8	147.5	170.2	0	0	0	0	0	112.7
662	P	51.4	Low	45.9	Very low	41 Å²	41	106.3 Å²	106.3	27%	0.266	58%	0.584	S	S	.	*			trans	-62.9	139.8	174.1	28.9	-34.1	0	0	0	110.9	F680 K682	P662-F680 HydrophobicContact CB-CD2 4.22Å; P662-F680 HydrophobicContact CB-CE2 3.46Å; P662-F680 VanDerWaalsContact CB-CE2 3.46Å; P662-F680 HydrophobicContact CB-CZ 3.74Å; P662-F680 HydrophobicContact CG-CD2 3.77Å; P662-F680 HydrophobicContact CG-CE2 3.44Å; P662-F680 VanDerWaalsContact CG-CE2 3.44Å; P662-F680 HydrophobicContact CG-CZ 4.21Å; P662-F680 WeakPolarHBondContact CG-O 3.42Å; P662-F680 PolarHBondContact O-N 2.88Å; P662-K682 HydrophobicContact CG-CG 3.73Å
663	F	55.4	Low	46.7	Very low	104 Å²	104	102.6 Å²	102.6	46%	0.456	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.6	150	-174.5	65.5	-87.8	0	0	0	112.7	T665 R677 L678 I679	F663-T665 WeakPolarHBondContact CE2-OG1 3.48Å; F663-R677 HydrophobicContact CD2-CG 4.18Å; F663-L678 CarbonylContact C-O 3.53Å; F663-L678 WeakPolarHBondContact CA-O 3.42Å; F663-L678 WeakPolarHBondContact CB-O 3.42Å; F663-I679 HydrophobicContact CB-CG1 4.33Å
664	I	53.2	Low	47.4	Very low	59 Å²	59	98.3 Å²	98.3	30%	0.303	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.9	169.1	-77.1	148	0	0	0	107.9	I666 L678 F680 L695	I664-I666 HydrophobicContact CG2-CG1 4.24Å; I664-L678 PolarHBondContact N-O 2.84Å; I664-L678 PolarHBondContact O-N 3.5Å; I664-F680 HydrophobicContact CB-CE1 4.21Å; I664-F680 HydrophobicContact CD1-CD1 4.01Å; I664-F680 HydrophobicContact CD1-CE1 3.52Å; I664-F680 HydrophobicContact CD1-CZ 4.29Å; I664-F680 HydrophobicContact CG1-CD1 4.41Å; I664-F680 HydrophobicContact CG1-CE1 3.59Å; I664-F680 HydrophobicContact CG1-CZ 4.33Å; I664-L695 HydrophobicContact CD1-CD1 4.02Å; I664-L695 HydrophobicContact CD1-CD2 3.94Å
665	T	56.8	Low	48.8	Very low	54 Å²	54	96.3 Å²	96.3	33%	0.331	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.2	173	-56.5	0	0	0	0	109.5	F663 K675 A676	F663-T665 WeakPolarHBondContact CE2-OG1 3.48Å; T665-K675 HydrophobicContact CG2-CB 4.3Å; T665-A676 CarbonylContact C-O 3.49Å; T665-A676 WeakPolarHBondContact CA-O 3.38Å
666	I	55.3	Low	50	Low	24 Å²	24	92.7 Å²	92.7	12%	0.123	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.5	175.4	-56.7	176.6	0	0	0	108.5	I664 A676 L678 V699	I664-I666 HydrophobicContact CG2-CG1 4.24Å; I666-A676 HydrophobicContact CB-CB 4.36Å; I666-A676 PolarHBondContact N-O 2.86Å; I666-A676 PolarHBondContact O-N 2.93Å; I666-L678 HydrophobicContact CD1-CD1 3.5Å; I666-V699 HydrophobicContact CD1-CG1 4.43Å; I666-V699 HydrophobicContact CD1-CG2 3.83Å
667	H	59.8	Low	51.5	Low	119 Å²	119	93 Å²	93	55%	0.551	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.9	172.3	-66.3	-91.5	0	0	0	109.4
668	F	55.7	Low	52.5	Low	17 Å²	17	88.7 Å²	88.7	8%	0.075	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128	176.2	-63.5	-83.2	0	0	0	109.9	D670 N671 A674 A676 L702 Y706	F668-D670 PolarHBondContact O-N 3.4Å; F668-N671 CarbonylContact O-C 3.48Å; F668-N671 PolarHBondContact O-N 2.93Å; F668-A674 HydrophobicContact CB-CB 4.47Å; F668-A674 HydrophobicContact CD2-CB 3.68Å; F668-A674 WeakPolarHBondContact CD2-O 3.3Å; F668-A674 HydrophobicContact CE2-CB 4.4Å; F668-A674 HydrophobicContact CG-CB 4.44Å; F668-A676 HydrophobicContact CE2-CB 3.97Å; F668-A676 HydrophobicContact CZ-CB 4.12Å; F668-L702 HydrophobicContact CZ-CD2 3.9Å; F668-Y706 HydrophobicContact CB-CE1 4.35Å; F668-Y706 HydrophobicContact CB-CE2 4.36Å; F668-Y706 AromaticContact CD1-CD1 3.92Å; F668-Y706 HydrophobicContact CD1-CD1 3.92Å; F668-Y706 AromaticContact CD1-CD2 3.91Å; F668-Y706 HydrophobicContact CD1-CD2 3.91Å; F668-Y706 HydrophobicContact CD1-CE1 4.37Å; F668-Y706 HydrophobicContact CD1-CE2 4.37Å; F668-Y706 AromaticContact CD1-CG 3.68Å; F668-Y706 HydrophobicContact CD1-CG 3.68Å; F668-Y706 HydrophobicContact CD2-CD2 4.3Å; F668-Y706 HydrophobicContact CD2-CE2 4.37Å; F668-Y706 HydrophobicContact CE1-CD1 4.44Å; F668-Y706 HydrophobicContact CE1-CD2 4.03Å; F668-Y706 AromaticContact CE1-CG 3.8Å; F668-Y706 HydrophobicContact CE1-CG 3.8Å; F668-Y706 HydrophobicContact CE2-CD2 4.41Å; F668-Y706 HydrophobicContact CG-CD1 4.47Å; F668-Y706 HydrophobicContact CG-CD2 4.06Å; F668-Y706 HydrophobicContact CG-CE2 4.11Å; F668-Y706 HydrophobicContact CG-CG 4.25Å; F668-Y706 HydrophobicContact CZ-CD2 4.28Å; F668-Y706 HydrophobicContact CZ-CG 4.45Å
669	K	58.4	Low	53.7	Low	203 Å²	203	88.9 Å²	88.9	88%	0.883	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.7	-177.5	-84.9	-175.9	173.8	-179.3	0	113.9
670	D	53.2	Low	54.5	Low	127 Å²	127	83.5 Å²	83.5	68%	0.679	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	1.1	-171.6	-52	-33.8	0	0	0	113.2	F668	F668-D670 PolarHBondContact O-N 3.4Å
671	N	51.4	Low	54.8	Low	57 Å²	57	81.1 Å²	81.1	31%	0.305	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	99.6	176.3	-173.7	-16.1	0	0	0	110.6	F668 V673 A674 Y706	F668-N671 CarbonylContact O-C 3.48Å; F668-N671 PolarHBondContact O-N 2.93Å; N671-V673 PolarHBondContact O-N 3.37Å; N671-V673 VanDerWaalsContact O-N 3.12Å; N671-V673 WeakPolarHBondContact OD1-CB 3.45Å; N671-V673 PolarHBondContact OD1-N 2.93Å; N671-A674 HydrophobicContact CB-CB 3.91Å; N671-A674 PolarHBondContact O-N 2.91Å; N671-A674 VanDerWaalsContact O-N 3.11Å; N671-A674 PolarHBondContact OD1-N 3.34Å; N671-Y706 WeakPolarHBondContact CB-OH 3.42Å
672	P	55.5	Low	55	Low	110 Å²	110	87.6 Å²	87.6	71%	0.714	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	-15.9	-177.9	26	-33.3	0	0	0	113.6
673	V	50.9	Low	55.2	Low	122 Å²	122	89.9 Å²	89.9	74%	0.739	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	-29	177.9	-169.2	0	0	0	0	111.2	N671 K675	N671-V673 PolarHBondContact O-N 3.37Å; N671-V673 VanDerWaalsContact O-N 3.12Å; N671-V673 WeakPolarHBondContact OD1-CB 3.45Å; N671-V673 PolarHBondContact OD1-N 2.93Å; V673-K675 PolarHBondContact O-N 3.39Å
674	A	46.8	Very low	55.1	Low	23 Å²	23	90.5 Å²	90.5	19%	0.19	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	114.4	178.8	0	0	0	0	0	110.4	F668 N671 Y706	F668-A674 HydrophobicContact CB-CB 4.47Å; F668-A674 HydrophobicContact CD2-CB 3.68Å; F668-A674 WeakPolarHBondContact CD2-O 3.3Å; F668-A674 HydrophobicContact CE2-CB 4.4Å; F668-A674 HydrophobicContact CG-CB 4.44Å; N671-A674 HydrophobicContact CB-CB 3.91Å; N671-A674 PolarHBondContact O-N 2.91Å; N671-A674 VanDerWaalsContact O-N 3.11Å; N671-A674 PolarHBondContact OD1-N 3.34Å; A674-Y706 HydrophobicContact CB-CE2 4.29Å
675	K	58.2	Low	54.9	Low	141 Å²	141	93.1 Å²	93.1	61%	0.613	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.4	174.3	-62.9	178.7	-173.5	176.1	0	108.9	T665 V673	T665-K675 HydrophobicContact CG2-CB 4.3Å; V673-K675 PolarHBondContact O-N 3.39Å
676	A	57.5	Low	54.4	Low	16 Å²	16	92.6 Å²	92.6	13%	0.132	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.1	167.8	0	0	0	0	0	109.5	T665 I666 F668 L702	T665-A676 CarbonylContact C-O 3.49Å; T665-A676 WeakPolarHBondContact CA-O 3.38Å; I666-A676 HydrophobicContact CB-CB 4.36Å; I666-A676 PolarHBondContact N-O 2.86Å; I666-A676 PolarHBondContact O-N 2.93Å; F668-A676 HydrophobicContact CE2-CB 3.97Å; F668-A676 HydrophobicContact CZ-CB 4.12Å; A676-L702 HydrophobicContact CB-CD2 3.58Å
677	R	59.8	Low	54.1	Low	192 Å²	192	100.4 Å²	100.4	73%	0.725	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.6	171.9	-70	-176.8	178.2	175.7	-0.6	109	F663	F663-R677 HydrophobicContact CD2-CG 4.18Å
678	L	54.4	Low	53.6	Low	20 Å²	20	97.4 Å²	97.4	11%	0.105	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103	174.1	-114.5	148	0	0	0	107.9	F663 I664 I666 F680 L702	F663-L678 CarbonylContact C-O 3.53Å; F663-L678 WeakPolarHBondContact CA-O 3.42Å; F663-L678 WeakPolarHBondContact CB-O 3.42Å; I664-L678 PolarHBondContact N-O 2.84Å; I664-L678 PolarHBondContact O-N 3.5Å; I666-L678 HydrophobicContact CD1-CD1 3.5Å; L678-F680 WeakPolarHBondContact O-CD1 3.45Å; L678-L702 HydrophobicContact CD1-CD1 3.83Å; L678-L702 HydrophobicContact CG-CD1 4.43Å
679	I	59.1	Low	53.4	Low	105 Å²	105	100.4 Å²	100.4	54%	0.538	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.3	174.7	-55	173.6	0	0	0	107.3	I659 F663	I659-I679 HydrophobicContact CG2-CD1 4.18Å; F663-I679 HydrophobicContact CB-CG1 4.33Å
680	F	56.5	Low	53.4	Low	35 Å²	35	94.7 Å²	94.7	15%	0.154	52%	0.52	C	S	.	.			trans	-131.3	150.7	175.6	50.4	-95	0	0	0	109.7	P662 I664 L678 L685	P662-F680 HydrophobicContact CB-CD2 4.22Å; P662-F680 HydrophobicContact CB-CE2 3.46Å; P662-F680 VanDerWaalsContact CB-CE2 3.46Å; P662-F680 HydrophobicContact CB-CZ 3.74Å; P662-F680 HydrophobicContact CG-CD2 3.77Å; P662-F680 HydrophobicContact CG-CE2 3.44Å; P662-F680 VanDerWaalsContact CG-CE2 3.44Å; P662-F680 HydrophobicContact CG-CZ 4.21Å; P662-F680 WeakPolarHBondContact CG-O 3.42Å; P662-F680 PolarHBondContact O-N 2.88Å; I664-F680 HydrophobicContact CB-CE1 4.21Å; I664-F680 HydrophobicContact CD1-CD1 4.01Å; I664-F680 HydrophobicContact CD1-CE1 3.52Å; I664-F680 HydrophobicContact CD1-CZ 4.29Å; I664-F680 HydrophobicContact CG1-CD1 4.41Å; I664-F680 HydrophobicContact CG1-CE1 3.59Å; I664-F680 HydrophobicContact CG1-CZ 4.33Å; L678-F680 WeakPolarHBondContact O-CD1 3.45Å; F680-L685 HydrophobicContact CD1-CD1 4.47Å; F680-L685 HydrophobicContact CD2-CD1 2.99Å; F680-L685 HydrophobicContact CD2-CG 4.47Å; F680-L685 HydrophobicContact CE2-CD1 3.04Å; F680-L685 HydrophobicContact CE2-CG 4.49Å; F680-L685 HydrophobicContact CG-CD1 3.76Å; F680-L685 HydrophobicContact CZ-CD1 3.87Å
681	D	51.7	Low	53.4	Low	103 Å²	103	89.8 Å²	89.8	55%	0.551	50%	0.497	S	S	*	.			trans	-80.4	139.9	173.8	-166.6	6	0	0	0	109.7	S683 E684	D681-S683 PolarHBondContact O-N 3.28Å; D681-S683 PolarHBondContact OD2-OG 3.21Å; D681-E684 HydrophobicContact CB-CG 4.41Å; D681-E684 PolarHBondContact O-N 3.41Å
682	K	54.7	Low	53.7	Low	167 Å²	167	93.1 Å²	93.1	73%	0.726	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.8	179.3	-79.1	-176.1	176.6	168.4	0	111.8	P662 E684	P662-K682 HydrophobicContact CG-CG 3.73Å; K682-E684 VanDerWaalsContact C-N 3.26Å; K682-E684 PolarHBondContact O-N 2.81Å
683	S	55.5	Low	54.1	Low	90 Å²	90	92.5 Å²	92.5	63%	0.629	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21.5	175.3	65.6	0	0	0	0	113.7	D681	D681-S683 PolarHBondContact O-N 3.28Å; D681-S683 PolarHBondContact OD2-OG 3.21Å
684	E	52	Low	54.6	Low	116 Å²	116	93 Å²	93	54%	0.542	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.2	-177	-64.2	-163.1	138.7	0	0	114.1	D681 K682 G686 A691	D681-E684 HydrophobicContact CB-CG 4.41Å; D681-E684 PolarHBondContact O-N 3.41Å; K682-E684 VanDerWaalsContact C-N 3.26Å; K682-E684 PolarHBondContact O-N 2.81Å; E684-G686 PolarHBondContact O-N 2.81Å; E684-G686 VanDerWaalsContact O-N 3.12Å; E684-A691 WeakPolarHBondContact O-CB 3.41Å
685	L	50.5	Low	55.3	Low	114 Å²	114	95 Å²	95	60%	0.597	50%	0.497	S	S	*	.			trans	-86.1	50.9	172.1	-88.2	118.6	0	0	0	112.2	F680	F680-L685 HydrophobicContact CD1-CD1 4.47Å; F680-L685 HydrophobicContact CD2-CD1 2.99Å; F680-L685 HydrophobicContact CD2-CG 4.47Å; F680-L685 HydrophobicContact CE2-CD1 3.04Å; F680-L685 HydrophobicContact CE2-CG 4.49Å; F680-L685 HydrophobicContact CG-CD1 3.76Å; F680-L685 HydrophobicContact CZ-CD1 3.87Å
686	G	45.6	Very low	55.7	Low	43 Å²	43	93.5 Å²	93.5	44%	0.443	49%	0.493	S	S	.	.			trans	-70.9	146.7	157.8	0	0	0	0	0	109.6	E684 S688	E684-G686 PolarHBondContact O-N 2.81Å; E684-G686 VanDerWaalsContact O-N 3.12Å; G686-S688 PolarHBondContact O-N 3.28Å
687	I	49.5	Very low	56.3	Low	188 Å²	188	98.3 Å²	98.3	96%	0.964	51%	0.511	S	S	*	.	S	Bend	trans	-61.7	16.8	179.8	-34.5	171.1	0	0	0	113.1
688	S	48.2	Very low	56.6	Low	57 Å²	57	93.8 Å²	93.8	40%	0.399	50%	0.498	S	S	.	.			trans	-80.1	131	-177.8	179	0	0	0	0	110.1	G686 T690 A691	G686-S688 PolarHBondContact O-N 3.28Å; S688-T690 WeakPolarHBondContact CB-OG1 3.37Å; S688-T690 PolarHBondContact O-N 3.33Å; S688-T690 WeakPolarHBondContact OG-CB 3.13Å; S688-T690 PolarHBondContact OG-N 2.86Å; S688-T690 PolarHBondContact OG-OG1 3.43Å; S688-A691 WeakPolarHBondContact O-CB 3.21Å; S688-A691 PolarHBondContact O-N 3.31Å
689	A	53.1	Low	57.1	Low	80 Å²	80	95.2 Å²	95.2	66%	0.661	51%	0.507	S	S	*	.	H	α-helix	trans	-49.2	-22.2	168.6	0	0	0	0	0	112.9	E693	A689-E693 WeakPolarHBondContact O-CB 3.42Å; A689-E693 PolarHBondContact O-N 3.47Å; A689-E693 VanDerWaalsContact O-N 3.12Å
690	T	57.3	Low	57.6	Low	82 Å²	82	92.6 Å²	92.6	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-72.4	-27.9	175.3	62.6	0	0	0	0	114.3	S688 K694	S688-T690 WeakPolarHBondContact CB-OG1 3.37Å; S688-T690 PolarHBondContact O-N 3.33Å; S688-T690 WeakPolarHBondContact OG-CB 3.13Å; S688-T690 PolarHBondContact OG-N 2.86Å; S688-T690 PolarHBondContact OG-OG1 3.43Å; T690-K694 WeakPolarHBondContact O-CB 3.39Å; T690-K694 VanDerWaalsContact O-CG 3.27Å; T690-K694 WeakPolarHBondContact O-CG 3.31Å; T690-K694 PolarHBondContact O-N 2.98Å; T690-K694 VanDerWaalsContact O-N 3.1Å
691	A	53	Low	58.2	Low	25 Å²	25	98.4 Å²	98.4	21%	0.207	53%	0.526	C	S	.	.	H	α-helix	trans	-74.2	-44.1	177.1	0	0	0	0	0	110.8	E684 S688 K694 L695	E684-A691 WeakPolarHBondContact O-CB 3.41Å; S688-A691 WeakPolarHBondContact O-CB 3.21Å; S688-A691 PolarHBondContact O-N 3.31Å; A691-K694 PolarHBondContact O-N 3.33Å; A691-L695 WeakPolarHBondContact O-CB 3.46Å; A691-L695 PolarHBondContact O-N 2.7Å
692	Q	59	Low	58.7	Low	126 Å²	126	96 Å²	96	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-61.7	-44.8	173.8	-174	178.3	-15.2	0	0	111.6	K694 L695 E696	Q692-K694 VanDerWaalsContact C-N 3.32Å; Q692-K694 PolarHBondContact O-N 3.33Å; Q692-L695 PolarHBondContact O-N 3.01Å; Q692-E696 PolarHBondContact NE2-OE1 3.28Å; Q692-E696 WeakPolarHBondContact O-CB 3.39Å; Q692-E696 WeakPolarHBondContact O-CG 3.47Å; Q692-E696 PolarHBondContact O-N 3.49Å
693	E	62.5	Low	59	Low	97 Å²	97	91.3 Å²	91.3	45%	0.453	49%	0.494	S	S	.	.	H	α-helix	trans	-64.5	-35.8	178	-164.7	-167.2	160.8	0	0	112.3	A689 K697	A689-E693 WeakPolarHBondContact O-CB 3.42Å; A689-E693 PolarHBondContact O-N 3.47Å; A689-E693 VanDerWaalsContact O-N 3.12Å; E693-K697 WeakPolarHBondContact O-CB 3.26Å; E693-K697 VanDerWaalsContact O-CG 3.31Å; E693-K697 WeakPolarHBondContact O-CG 3.21Å; E693-K697 PolarHBondContact O-N 2.9Å; E693-K697 VanDerWaalsContact OE1-CE 3.28Å; E693-K697 WeakPolarHBondContact OE1-CE 3.39Å; E693-K697 IonicContact OE1-NZ 3.71Å; E693-K697 PolarHBondContact OE1-NZ 2.91Å
694	K	62.7	Low	59.6	Low	133 Å²	133	94.4 Å²	94.4	58%	0.578	50%	0.496	S	S	*	.	H	α-helix	trans	-65.5	-44.3	173.7	-83.3	179.3	176.6	-173.5	0	111.5	T690 A691 Q692 K697 Q698	T690-K694 WeakPolarHBondContact O-CB 3.39Å; T690-K694 VanDerWaalsContact O-CG 3.27Å; T690-K694 WeakPolarHBondContact O-CG 3.31Å; T690-K694 PolarHBondContact O-N 2.98Å; T690-K694 VanDerWaalsContact O-N 3.1Å; A691-K694 PolarHBondContact O-N 3.33Å; Q692-K694 VanDerWaalsContact C-N 3.32Å; Q692-K694 PolarHBondContact O-N 3.33Å; K694-K697 PolarHBondContact O-N 2.88Å; K694-Q698 PolarHBondContact O-N 3.45Å
695	L	60.5	Low	60.1	Low	64 Å²	64	94.9 Å²	94.9	34%	0.335	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-46.7	178.1	-161.8	85.2	0	0	0	110.8	I664 A691 Q692 K697 Q698 V699	I664-L695 HydrophobicContact CD1-CD1 4.02Å; I664-L695 HydrophobicContact CD1-CD2 3.94Å; A691-L695 WeakPolarHBondContact O-CB 3.46Å; A691-L695 PolarHBondContact O-N 2.7Å; Q692-L695 PolarHBondContact O-N 3.01Å; L695-K697 VanDerWaalsContact C-N 3.31Å; L695-K697 PolarHBondContact O-N 2.83Å; L695-Q698 PolarHBondContact O-N 3.46Å; L695-Q698 VanDerWaalsContact O-N 3.12Å; L695-V699 VanDerWaalsContact O-CG2 3.24Å; L695-V699 WeakPolarHBondContact O-CG2 3.46Å; L695-V699 PolarHBondContact O-N 3.32Å
696	E	67.3	Low	60.4	Low	111 Å²	111	91.6 Å²	91.6	52%	0.519	48%	0.477	S	S	.	.	H	α-helix	trans	-60.2	-39	175.7	-74	175.2	-172.9	0	0	112.1	Q692 A700	Q692-E696 PolarHBondContact NE2-OE1 3.28Å; Q692-E696 WeakPolarHBondContact O-CB 3.39Å; Q692-E696 WeakPolarHBondContact O-CG 3.47Å; Q692-E696 PolarHBondContact O-N 3.49Å; E696-A700 VanDerWaalsContact O-CB 3.25Å; E696-A700 WeakPolarHBondContact O-CB 3.4Å; E696-A700 PolarHBondContact O-N 2.77Å
697	K	69.5	Low	61.1	Low	117 Å²	117	93.9 Å²	93.9	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-38.1	173.9	-80.3	173.5	-174.3	162.9	0	112.7	E693 K694 L695 K701	E693-K697 WeakPolarHBondContact O-CB 3.26Å; E693-K697 VanDerWaalsContact O-CG 3.31Å; E693-K697 WeakPolarHBondContact O-CG 3.21Å; E693-K697 PolarHBondContact O-N 2.9Å; E693-K697 VanDerWaalsContact OE1-CE 3.28Å; E693-K697 WeakPolarHBondContact OE1-CE 3.39Å; E693-K697 IonicContact OE1-NZ 3.71Å; E693-K697 PolarHBondContact OE1-NZ 2.91Å; K694-K697 PolarHBondContact O-N 2.88Å; L695-K697 VanDerWaalsContact C-N 3.31Å; L695-K697 PolarHBondContact O-N 2.83Å; K697-K701 WeakPolarHBondContact O-CG 3.39Å; K697-K701 PolarHBondContact O-N 2.78Å
698	Q	65.3	Low	61.7	Low	96 Å²	96	88.6 Å²	88.6	45%	0.449	46%	0.458	S	S	.	.	H	α-helix	trans	-70.2	-43.9	176.3	-77.9	-171.4	-14.8	0	0	111.4	K694 L695 A700 K701 L702	K694-Q698 PolarHBondContact O-N 3.45Å; L695-Q698 PolarHBondContact O-N 3.46Å; L695-Q698 VanDerWaalsContact O-N 3.12Å; Q698-A700 VanDerWaalsContact C-N 3.33Å; Q698-A700 PolarHBondContact O-N 3.34Å; Q698-K701 WeakPolarHBondContact O-CB 3.49Å; Q698-K701 PolarHBondContact O-N 2.95Å; Q698-K701 VanDerWaalsContact O-N 3.17Å; Q698-L702 PolarHBondContact O-N 3.06Å
699	V	65.9	Low	61.9	Low	51 Å²	51	91.5 Å²	91.5	31%	0.309	47%	0.465	S	S	.	.	H	α-helix	trans	-58.3	-44.8	173.1	174.7	0	0	0	0	110.5	I666 L695 K701 L702 Q703	I666-V699 HydrophobicContact CD1-CG1 4.43Å; I666-V699 HydrophobicContact CD1-CG2 3.83Å; L695-V699 VanDerWaalsContact O-CG2 3.24Å; L695-V699 WeakPolarHBondContact O-CG2 3.46Å; L695-V699 PolarHBondContact O-N 3.32Å; V699-K701 VanDerWaalsContact C-N 3.34Å; V699-K701 PolarHBondContact O-N 3.47Å; V699-L702 PolarHBondContact O-N 2.9Å; V699-Q703 WeakPolarHBondContact O-CB 3.39Å; V699-Q703 PolarHBondContact O-N 3.07Å
700	A	68.7	Low	61.7	Low	50 Å²	50	90.1 Å²	90.1	41%	0.413	45%	0.451	S	S	.	.	H	α-helix	trans	-66.3	-32.3	177.5	0	0	0	0	0	113.5	E696 Q698 K704	E696-A700 VanDerWaalsContact O-CB 3.25Å; E696-A700 WeakPolarHBondContact O-CB 3.4Å; E696-A700 PolarHBondContact O-N 2.77Å; Q698-A700 VanDerWaalsContact C-N 3.33Å; Q698-A700 PolarHBondContact O-N 3.34Å; A700-K704 WeakPolarHBondContact O-CB 3.27Å; A700-K704 WeakPolarHBondContact O-CG 3.43Å; A700-K704 PolarHBondContact O-N 3.07Å
701	K	69.9	Low	60.8	Low	156 Å²	156	92 Å²	92	68%	0.678	47%	0.466	S	S	*	.	H	α-helix	trans	-68.2	-43	171.9	-81.1	179.3	179.4	-178.1	0	111.3	K697 Q698 V699 K704 F705	K697-K701 WeakPolarHBondContact O-CG 3.39Å; K697-K701 PolarHBondContact O-N 2.78Å; Q698-K701 WeakPolarHBondContact O-CB 3.49Å; Q698-K701 PolarHBondContact O-N 2.95Å; Q698-K701 VanDerWaalsContact O-N 3.17Å; V699-K701 VanDerWaalsContact C-N 3.34Å; V699-K701 PolarHBondContact O-N 3.47Å; K701-K704 PolarHBondContact O-N 3.33Å; K701-F705 WeakPolarHBondContact O-CB 3.3Å; K701-F705 PolarHBondContact O-N 3.16Å
702	L	61.9	Low	59.9	Low	54 Å²	54	95.6 Å²	95.6	28%	0.283	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-41.9	177.1	-114.5	130.3	0	0	0	111.7	F668 A676 L678 Q698 V699 F705 Y706	F668-L702 HydrophobicContact CZ-CD2 3.9Å; A676-L702 HydrophobicContact CB-CD2 3.58Å; L678-L702 HydrophobicContact CD1-CD1 3.83Å; L678-L702 HydrophobicContact CG-CD1 4.43Å; Q698-L702 PolarHBondContact O-N 3.06Å; V699-L702 PolarHBondContact O-N 2.9Å; L702-F705 WeakPolarHBondContact O-CB 3.34Å; L702-F705 PolarHBondContact O-N 2.87Å; L702-Y706 WeakPolarHBondContact O-CB 3.42Å; L702-Y706 PolarHBondContact O-N 3.49Å
703	Q	61.3	Low	58.8	Low	68 Å²	68	99.4 Å²	99.4	32%	0.318	50%	0.503	S	S	.	.	H	α-helix	trans	-61.5	-48.7	173.4	-166.4	72.7	35.4	0	0	111	V699 F705 Y706 D707	V699-Q703 WeakPolarHBondContact O-CB 3.39Å; V699-Q703 PolarHBondContact O-N 3.07Å; Q703-F705 VanDerWaalsContact C-N 3.29Å; Q703-F705 PolarHBondContact O-N 3.13Å; Q703-Y706 PolarHBondContact O-N 3.11Å; Q703-D707 WeakPolarHBondContact O-CB 3.27Å; Q703-D707 PolarHBondContact O-N 3.44Å
704	K	67.4	Low	57.3	Low	155 Å²	155	102.3 Å²	102.3	67%	0.674	52%	0.519	S	S	*	.	H	α-helix	trans	-61.4	-36.8	175.5	-83.6	-176.3	178.1	178.3	0	113	A700 K701 S708	A700-K704 WeakPolarHBondContact O-CB 3.27Å; A700-K704 WeakPolarHBondContact O-CG 3.43Å; A700-K704 PolarHBondContact O-N 3.07Å; K701-K704 PolarHBondContact O-N 3.33Å; K704-S708 WeakPolarHBondContact O-CB 3.48Å; K704-S708 PolarHBondContact O-N 2.91Å; K704-S708 PolarHBondContact O-OG 3.21Å
705	F	63.6	Low	55.9	Low	125 Å²	125	101.7 Å²	101.7	55%	0.548	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-48.4	175.9	-177.8	-95.6	0	0	0	110.3	K701 L702 Q703 S708 H709	K701-F705 WeakPolarHBondContact O-CB 3.3Å; K701-F705 PolarHBondContact O-N 3.16Å; L702-F705 WeakPolarHBondContact O-CB 3.34Å; L702-F705 PolarHBondContact O-N 2.87Å; Q703-F705 VanDerWaalsContact C-N 3.29Å; Q703-F705 PolarHBondContact O-N 3.13Å; F705-S708 WeakPolarHBondContact CA-OG 3.25Å; F705-S708 PolarHBondContact O-N 3.19Å; F705-S708 PolarHBondContact O-OG 3.5Å; F705-S708 VanDerWaalsContact O-OG 3.05Å; F705-H709 AromaticContact CD2-CE1 3.74Å; F705-H709 AromaticContact CD2-ND1 3.9Å; F705-H709 AromaticContact CE2-CD2 3.92Å; F705-H709 AromaticContact CE2-CE1 3.59Å; F705-H709 AromaticContact CE2-ND1 3.96Å; F705-H709 AromaticContact CE2-NE2 3.57Å; F705-H709 AromaticContact CZ-CD2 3.87Å; F705-H709 AromaticContact CZ-NE2 3.99Å; F705-H709 WeakPolarHBondContact O-CB 3.28Å; F705-H709 PolarHBondContact O-N 3.11Å; F705-H709 PolarHBondContact O-ND1 2.86Å
706	Y	57.1	Low	54.5	Low	46 Å²	46	104.1 Å²	104.1	18%	0.18	55%	0.546	C	S	.	.	H	α-helix	trans	-59.2	-47.1	174.1	-175.9	-94.6	0	0	0	112.2	F668 N671 A674 L702 Q703 S708 H709 S710	F668-Y706 HydrophobicContact CB-CE1 4.35Å; F668-Y706 HydrophobicContact CB-CE2 4.36Å; F668-Y706 AromaticContact CD1-CD1 3.92Å; F668-Y706 HydrophobicContact CD1-CD1 3.92Å; F668-Y706 AromaticContact CD1-CD2 3.91Å; F668-Y706 HydrophobicContact CD1-CD2 3.91Å; F668-Y706 HydrophobicContact CD1-CE1 4.37Å; F668-Y706 HydrophobicContact CD1-CE2 4.37Å; F668-Y706 AromaticContact CD1-CG 3.68Å; F668-Y706 HydrophobicContact CD1-CG 3.68Å; F668-Y706 HydrophobicContact CD2-CD2 4.3Å; F668-Y706 HydrophobicContact CD2-CE2 4.37Å; F668-Y706 HydrophobicContact CE1-CD1 4.44Å; F668-Y706 HydrophobicContact CE1-CD2 4.03Å; F668-Y706 AromaticContact CE1-CG 3.8Å; F668-Y706 HydrophobicContact CE1-CG 3.8Å; F668-Y706 HydrophobicContact CE2-CD2 4.41Å; F668-Y706 HydrophobicContact CG-CD1 4.47Å; F668-Y706 HydrophobicContact CG-CD2 4.06Å; F668-Y706 HydrophobicContact CG-CE2 4.11Å; F668-Y706 HydrophobicContact CG-CG 4.25Å; F668-Y706 HydrophobicContact CZ-CD2 4.28Å; F668-Y706 HydrophobicContact CZ-CG 4.45Å; N671-Y706 WeakPolarHBondContact CB-OH 3.42Å; A674-Y706 HydrophobicContact CB-CE2 4.29Å; L702-Y706 WeakPolarHBondContact O-CB 3.42Å; L702-Y706 PolarHBondContact O-N 3.49Å; Q703-Y706 PolarHBondContact O-N 3.11Å; Y706-S708 PolarHBondContact O-N 2.77Å; Y706-H709 PolarHBondContact O-N 2.99Å; Y706-S710 WeakPolarHBondContact O-CB 3.35Å; Y706-S710 PolarHBondContact O-N 2.89Å; Y706-S710 PolarHBondContact O-OG 3.36Å
707	D	60.2	Low	53	Low	90 Å²	90	104.5 Å²	104.5	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-64.1	-29.3	178.9	-63.7	-15.8	0	0	0	112.6	Q703	Q703-D707 WeakPolarHBondContact O-CB 3.27Å; Q703-D707 PolarHBondContact O-N 3.44Å
708	S	61.2	Low	51.2	Low	77 Å²	77	103.4 Å²	103.4	54%	0.538	56%	0.563	S	S	.	*	H	α-helix	trans	-89.4	-16.9	179.3	49.4	0	0	0	0	114.1	K704 F705 Y706	K704-S708 WeakPolarHBondContact O-CB 3.48Å; K704-S708 PolarHBondContact O-N 2.91Å; K704-S708 PolarHBondContact O-OG 3.21Å; F705-S708 WeakPolarHBondContact CA-OG 3.25Å; F705-S708 PolarHBondContact O-N 3.19Å; F705-S708 PolarHBondContact O-OG 3.5Å; F705-S708 VanDerWaalsContact O-OG 3.05Å; Y706-S708 PolarHBondContact O-N 2.77Å
709	H	52.6	Low	49.9	Very low	118 Å²	118	103.5 Å²	103.5	55%	0.546	57%	0.567	S	S	.	*	H	α-helix	trans	-113.8	-7.7	-178.4	-65.4	59.7	0	0	0	112.9	F705 Y706 C711	F705-H709 AromaticContact CD2-CE1 3.74Å; F705-H709 AromaticContact CD2-ND1 3.9Å; F705-H709 AromaticContact CE2-CD2 3.92Å; F705-H709 AromaticContact CE2-CE1 3.59Å; F705-H709 AromaticContact CE2-ND1 3.96Å; F705-H709 AromaticContact CE2-NE2 3.57Å; F705-H709 AromaticContact CZ-CD2 3.87Å; F705-H709 AromaticContact CZ-NE2 3.99Å; F705-H709 WeakPolarHBondContact O-CB 3.28Å; F705-H709 PolarHBondContact O-N 3.11Å; F705-H709 PolarHBondContact O-ND1 2.86Å; Y706-H709 PolarHBondContact O-N 2.99Å; H709-C711 PolarHBondContact O-N 3.43Å
710	S	49	Very low	48.6	Very low	51 Å²	51	107 Å²	107	36%	0.357	59%	0.591	S	S	.	*			trans	-75.1	67.8	168.2	54.3	0	0	0	0	110.5	Y706 C712	Y706-S710 WeakPolarHBondContact O-CB 3.35Å; Y706-S710 PolarHBondContact O-N 2.89Å; Y706-S710 PolarHBondContact O-OG 3.36Å; S710-C712 PolarHBondContact O-N 3.4Å; S710-C712 VanDerWaalsContact O-N 3.15Å
711	C	38.2	Very low	47.5	Very low	121 Å²	121	111 Å²	111	82%	0.818	61%	0.605	S	S	*	*			trans	-72.3	8.8	168.5	-78.6	0	0	0	0	113.3	H709	H709-C711 PolarHBondContact O-N 3.43Å
712	C	35.1	Very low	46.2	Very low	101 Å²	101	110 Å²	110	68%	0.682	61%	0.607	S	S	*	*			trans	-111.6	79.6	177	-65.7	0	0	0	0	110.5	S710 M714	S710-C712 PolarHBondContact O-N 3.4Å; S710-C712 VanDerWaalsContact O-N 3.15Å; C712-M714 HydrophobicContact CB-CG 4.26Å; C712-M714 PolarHBondContact O-N 3.4Å
713	K	34.9	Very low	45	Very low	206 Å²	206	115.8 Å²	115.8	90%	0.896	64%	0.635	S	S	*	*			trans	-72.6	64.4	143.6	-74.5	-172.7	178.8	-176.9	0	107.8	T715	K713-T715 VanDerWaalsContact C-N 3.34Å; K713-T715 PolarHBondContact O-N 3.34Å
714	M	31.2	Very low	43.9	Very low	159 Å²	159	121.2 Å²	121.2	78%	0.783	66%	0.66	S	S	*	*			trans	-84.5	92.5	159.8	-73.3	-68.3	-159.1	0	0	104.5	C712	C712-M714 HydrophobicContact CB-CG 4.26Å; C712-M714 PolarHBondContact O-N 3.4Å
715	T	33.5	Very low	42.3	Very low	120 Å²	120	119.9 Å²	119.9	74%	0.736	67%	0.666	S	S	*	*			trans	-49.8	127.3	154.9	22.2	0	0	0	0	106.5	K713 S717	K713-T715 VanDerWaalsContact C-N 3.34Å; K713-T715 PolarHBondContact O-N 3.34Å; T715-S717 PolarHBondContact O-N 3.35Å
716	P	30.7	Very low	40.7	Very low	115 Å²	115	127.1 Å²	127.1	75%	0.747	70%	0.701	S	S	*	*			trans	-63.9	105.7	176.2	25.8	-29.8	0	0	0	106.6	V718	P716-V718 PolarHBondContact O-N 3.46Å
717	S	35.6	Very low	39.9	Very low	118 Å²	118	131.2 Å²	131.2	83%	0.825	73%	0.727	S	S	*	*			trans	-84.2	23.6	170.9	71.6	0	0	0	0	111.1	T715	T715-S717 PolarHBondContact O-N 3.35Å
718	V	32.4	Very low	38.8	Very low	94 Å²	94	133.4 Å²	133.4	57%	0.57	74%	0.74	S	S	*	*	S	Bend	trans	-118.1	118.8	-179	-175	0	0	0	0	106.8	P716	P716-V718 PolarHBondContact O-N 3.46Å
719	D	37.7	Very low	37.6	Very low	98 Å²	98	136.5 Å²	136.5	52%	0.524	75%	0.751	S	S	.	*			trans	-55.7	129.6	174.5	-158.7	-27	0	0	0	108.7	N721 D722	D719-N721 PolarHBondContact O-N 3.42Å; D719-N721 PolarHBondContact OD1-ND2 3.36Å; D719-D722 PolarHBondContact O-N 3.44Å
720	P	38.7	Very low	36.7	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	1.9	179.8	-23	33.7	0	0	0	115.6
721	N	44.9	Very low	35.9	Very low	134 Å²	134	143 Å²	143	72%	0.717	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-1.4	-176.9	-66.5	-42.2	0	0	0	114.9	D719	D719-N721 PolarHBondContact O-N 3.42Å; D719-N721 PolarHBondContact OD1-ND2 3.36Å
722	D	42.9	Very low	35.8	Very low	134 Å²	134	144.5 Å²	144.5	72%	0.717	79%	0.787	S	S	*	*	S	Bend	trans	-103.4	15.3	-171.5	-109.5	-3.8	0	0	0	114.9	D719	D719-D722 PolarHBondContact O-N 3.44Å
723	M	37.1	Very low	35.8	Very low	177 Å²	177	147.6 Å²	147.6	87%	0.872	80%	0.795	S	S	*	*			trans	-112.3	16.8	-178.5	-77.1	-98.6	-69.3	0	0	114.1
724	E	38.4	Very low	35.9	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	79%	0.787	S	S	*	*	S	Bend	trans	-109.1	57.4	171.4	-71.9	-168.5	165.5	0	0	111.6
725	T	32.8	Very low	36.3	Very low	128 Å²	128	141.8 Å²	141.8	79%	0.785	79%	0.787	S	S	*	*			trans	-176.6	98.9	159.1	38.6	0	0	0	0	110.5
726	E	31	Very low	36.6	Very low	277 Å²	277	143.7 Å²	143.7	100%	1.294	79%	0.792	S	S	*	*			trans	168.9	0	138.9	-94.2	-178.9	-177.6	0	0	111.7

Retrieved 726 of 726 residues in 131.3 ms (Link to these results)

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