A0A096MZX4_PAPAN Loading...

NCK interacting protein with SH3 domain

AlphaFold DB , UniProt , Accession A0A096MZX4, Species PAPAN (Papio anubis, Olive baboon), Gene NCKIPSD, Length 722 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	83.9	Confident	85.8	Confident	44 Å²	44	82.1 Å²	82.1	22%	0.217	41%	0.412	C	S	.	.				0	160.3	0	-163.8	178	-73.9	0	0	109.4	T23 F24 A40 L56 D62 A66	M1-T23 HydrophobicContact SD-CG2 4.11Å; M1-F24 CarbonylContact C-O 3.59Å; M1-F24 WeakPolarHBondContact CG-O 3.25Å; M1-A40 HydrophobicContact CE-CB 4.34Å; M1-A40 HydrophobicContact SD-CB 4.47Å; M1-L56 HydrophobicContact CB-CB 4.46Å; M1-L56 PolarHBondContact O-N 3.27Å; M1-D62 HydrophobicContact CE-CB 3.92Å; M1-D62 WeakPolarHBondContact CE-O 3.48Å; M1-A66 HydrophobicContact CE-CB 4.24Å
2	Y	88.4	Confident	85.2	Confident	45 Å²	45	83.7 Å²	83.7	18%	0.176	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	158.4	174.5	-71.2	-98.4	0	0	0	110.4	T23 F24 V26 W35 L53 R54 R55	Y2-T23 CarbonylContact O-C 3.55Å; Y2-T23 VanDerWaalsContact O-CA 3.23Å; Y2-T23 WeakPolarHBondContact O-CA 3.44Å; Y2-F24 PolarHBondContact N-O 2.93Å; Y2-F24 PolarHBondContact O-N 2.87Å; Y2-V26 HydrophobicContact CD2-CB 4.14Å; Y2-V26 HydrophobicContact CD2-CG2 3.41Å; Y2-V26 VanDerWaalsContact CD2-CG2 3.41Å; Y2-V26 HydrophobicContact CE2-CB 4.01Å; Y2-V26 HydrophobicContact CE2-CG2 3.63Å; Y2-V26 HydrophobicContact CG-CG2 4.09Å; Y2-W35 AromaticContact CE1-CZ3 3.95Å; Y2-W35 HydrophobicContact CE1-CZ3 3.95Å; Y2-L53 HydrophobicContact CD1-CB 4.12Å; Y2-R54 CarbonylContact C-O 3.53Å; Y2-R54 VanDerWaalsContact CA-O 3.32Å; Y2-R54 WeakPolarHBondContact CA-O 3.33Å; Y2-R55 HydrophobicContact CD1-CB 4Å; Y2-R55 HydrophobicContact CE1-CB 3.66Å; Y2-R55 HydrophobicContact CE1-CG 4.05Å
3	R	90	Very high	84.1	Confident	126 Å²	126	87.1 Å²	87.1	48%	0.475	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.8	175.4	-167.1	178.6	-177.2	-157.5	-7.1	111	G21 E22 T23 L53 R54 L56	R3-G21 WeakPolarHBondContact CG-O 3.37Å; R3-G21 PolarHBondContact NE-O 3.38Å; R3-E22 CarbonylContact C-O 3.52Å; R3-E22 VanDerWaalsContact CA-O 3.25Å; R3-E22 WeakPolarHBondContact CA-O 3.4Å; R3-E22 WeakPolarHBondContact CG-O 3.49Å; R3-T23 HydrophobicContact CB-CG2 4.31Å; R3-T23 HydrophobicContact CG-CG2 4.18Å; R3-L53 WeakPolarHBondContact O-CA 3.15Å; R3-R54 PolarHBondContact N-O 2.82Å; R3-R54 PolarHBondContact O-N 3.11Å; R3-L56 HydrophobicContact CB-CD1 3.86Å; R3-L56 HydrophobicContact CB-CD2 4.1Å; R3-L56 HydrophobicContact CB-CG 3.87Å
4	A	89.4	Confident	83.5	Confident	2 Å²	2	86.6 Å²	86.6	2%	0.017	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131	171.2	0	0	0	0	0	111	F18 G21 E22 F24 Y52 L53	A4-F18 HydrophobicContact CB-CD2 3.54Å; A4-F18 HydrophobicContact CB-CE2 3.54Å; A4-G21 WeakPolarHBondContact O-CA 3.16Å; A4-G21 PolarHBondContact O-N 3.32Å; A4-E22 PolarHBondContact N-O 3.22Å; A4-F24 HydrophobicContact CB-CE2 4.05Å; A4-Y52 CarbonylContact C-O 3.59Å; A4-Y52 WeakPolarHBondContact CA-O 3.29Å; A4-L53 HydrophobicContact CB-CD2 4.38Å
5	L	86.9	Confident	83.6	Confident	60 Å²	60	81.9 Å²	81.9	31%	0.314	43%	0.426	S	S	.	.	S	Bend	trans	-87.9	-32.1	173.4	-63.8	-179.1	0	0	0	112.2	Y52 R54	L5-Y52 PolarHBondContact N-O 3.43Å; L5-R54 HydrophobicContact CD1-CB 4.17Å; L5-R54 HydrophobicContact CD2-CB 3.88Å; L5-R54 HydrophobicContact CG-CB 4.03Å
6	Y	87.8	Confident	83.8	Confident	151 Å²	151	77.3 Å²	77.3	59%	0.592	40%	0.402	S	S	*	.	S	Bend	trans	-130	159.1	-178.1	-50.4	-70.8	0	0	0	109.8	F18 Y52	Y6-F18 WeakPolarHBondContact O-CE2 3.12Å; Y6-Y52 HydrophobicContact CD2-CD1 4.48Å
7	A	87.3	Confident	84	Confident	67 Å²	67	75.5 Å²	75.5	55%	0.554	40%	0.402	S	S	*	.			trans	-74.7	145.6	171.3	0	0	0	0	0	110.3	F18	A7-F18 CarbonylContact C-O 3.54Å; A7-F18 VanDerWaalsContact CA-O 3.3Å; A7-F18 WeakPolarHBondContact CA-O 3.49Å
8	F	89.3	Confident	84.3	Confident	24 Å²	24	71.9 Å²	71.9	11%	0.105	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-131.7	135.8	179.6	178.6	-109	0	0	0	110.4	A15 L16 A17 F18 W34 P49 Y52	F8-A15 HydrophobicContact CE1-CB 4.42Å; F8-L16 WeakPolarHBondContact CD1-O 3.17Å; F8-A17 CarbonylContact O-C 3.53Å; F8-A17 WeakPolarHBondContact O-CA 3.45Å; F8-F18 HydrophobicContact CB-CD1 4.13Å; F8-F18 HydrophobicContact CB-CD2 3.93Å; F8-F18 HydrophobicContact CB-CE1 3.69Å; F8-F18 HydrophobicContact CB-CE2 3.48Å; F8-F18 VanDerWaalsContact CB-CE2 3.48Å; F8-F18 HydrophobicContact CB-CG 4.23Å; F8-F18 HydrophobicContact CB-CZ 3.35Å; F8-F18 HydrophobicContact CD1-CD1 4.2Å; F8-F18 AromaticContact CD1-CE1 3.67Å; F8-F18 HydrophobicContact CD1-CE1 3.67Å; F8-F18 HydrophobicContact CD1-CZ 4.11Å; F8-F18 AromaticContact CG-CE1 4Å; F8-F18 HydrophobicContact CG-CE1 4Å; F8-F18 AromaticContact CG-CZ 3.95Å; F8-F18 HydrophobicContact CG-CZ 3.95Å; F8-F18 PolarHBondContact N-O 3Å; F8-F18 PolarHBondContact O-N 3.37Å; F8-W34 HydrophobicContact CE1-CH2 4.3Å; F8-W34 HydrophobicContact CE1-CZ3 4.08Å; F8-W34 AromaticContact CZ-CH2 3.72Å; F8-W34 HydrophobicContact CZ-CH2 3.72Å; F8-W34 AromaticContact CZ-CZ3 3.89Å; F8-W34 HydrophobicContact CZ-CZ3 3.89Å; F8-P49 HydrophobicContact CD1-CG 4.25Å; F8-P49 HydrophobicContact CD2-CG 3.97Å; F8-P49 HydrophobicContact CE1-CG 3.88Å; F8-P49 HydrophobicContact CE2-CG 3.59Å; F8-P49 HydrophobicContact CG-CG 4.29Å; F8-P49 HydrophobicContact CZ-CG 3.53Å; F8-Y52 HydrophobicContact CB-CD1 4.08Å; F8-Y52 HydrophobicContact CB-CE1 4.27Å; F8-Y52 HydrophobicContact CD2-CE1 4.2Å
9	R	85.8	Confident	84.6	Confident	230 Å²	230	70.8 Å²	70.8	87%	0.868	38%	0.384	S	S	*	.			trans	-138.1	136.4	170.9	-67.2	-174.6	176.7	-170.8	-1.5	107.9	A17	R9-A17 HydrophobicContact CG-CB 4.44Å
10	S	81.6	Confident	84.7	Confident	46 Å²	46	70.4 Å²	70.4	32%	0.322	39%	0.39	S	S	.	.			trans	-127.8	159.1	173.1	-173.3	0	0	0	0	109.3	E12	S10-E12 WeakPolarHBondContact OG-CB 3.47Å; S10-E12 PolarHBondContact OG-N 3.45Å; S10-E12 VanDerWaalsContact OG-N 3.11Å
11	A	73.6	Confident	84.7	Confident	108 Å²	108	68.2 Å²	68.2	89%	0.893	38%	0.384	S	S	*	.	S	Bend	trans	-93.7	-3.3	167.9	0	0	0	0	0	112.4
12	E	78.9	Confident	84.9	Confident	101 Å²	101	68.4 Å²	68.4	47%	0.472	39%	0.385	S	S	.	.	S	Bend	trans	-74.7	134.3	177.9	-66.6	174.2	166.8	0	0	111.2	S10 N14 A15 W34	S10-E12 WeakPolarHBondContact OG-CB 3.47Å; S10-E12 PolarHBondContact OG-N 3.45Å; S10-E12 VanDerWaalsContact OG-N 3.11Å; E12-N14 VanDerWaalsContact C-N 3.28Å; E12-N14 PolarHBondContact O-N 2.78Å; E12-A15 HydrophobicContact CB-CB 3.94Å; E12-A15 PolarHBondContact O-N 2.81Å; E12-W34 VanDerWaalsContact OE2-CH2 3.29Å; E12-W34 WeakPolarHBondContact OE2-CH2 3.32Å; E12-W34 WeakPolarHBondContact OE2-CZ2 3.3Å
13	P	69.8	Low	85	Confident	128 Å²	128	67.7 Å²	67.7	83%	0.831	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.7	-169.9	25.2	-35	0	0	0	114.3
14	N	76.4	Confident	84.9	Confident	81 Å²	81	61.7 Å²	61.7	43%	0.433	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	1.9	-176.9	-63.4	7.1	0	0	0	112.7	E12 Y47	E12-N14 VanDerWaalsContact C-N 3.28Å; E12-N14 PolarHBondContact O-N 2.78Å; N14-Y47 HydrophobicContact CB-CD2 4.01Å; N14-Y47 HydrophobicContact CB-CE2 4.4Å; N14-Y47 WeakPolarHBondContact O-CD2 3.45Å; N14-Y47 PolarHBondContact O-N 2.82Å
15	A	84.6	Confident	84.8	Confident	15 Å²	15	61.7 Å²	61.7	12%	0.124	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-91.9	122.6	-178.9	0	0	0	0	0	110.9	F8 E12 A17 W34 Y47	F8-A15 HydrophobicContact CE1-CB 4.42Å; E12-A15 HydrophobicContact CB-CB 3.94Å; E12-A15 PolarHBondContact O-N 2.81Å; A15-A17 PolarHBondContact O-N 2.92Å; A15-W34 HydrophobicContact CB-CH2 3.95Å; A15-W34 HydrophobicContact CB-CZ3 3.9Å; A15-Y47 WeakPolarHBondContact CA-O 3.4Å
16	L	86.8	Confident	84.9	Confident	8 Å²	8	60 Å²	60	4%	0.042	36%	0.355	C	S	.	.			trans	-79.7	115.1	-175.8	-173.3	65	0	0	0	110.2	F8 F18 F24 R39 E44 Y47 V48	F8-L16 WeakPolarHBondContact CD1-O 3.17Å; L16-F18 WeakPolarHBondContact O-CD1 3.49Å; L16-F24 HydrophobicContact CD2-CD1 4.28Å; L16-F24 HydrophobicContact CD2-CE1 3.77Å; L16-R39 HydrophobicContact CD2-CB 4.35Å; L16-E44 HydrophobicContact CD1-CG 3.81Å; L16-Y47 PolarHBondContact N-O 2.81Å; L16-V48 HydrophobicContact CB-CG1 3.95Å; L16-V48 HydrophobicContact CD2-CG1 4.18Å
17	A	88.1	Confident	84.7	Confident	48 Å²	48	54.1 Å²	54.1	40%	0.397	33%	0.333	S	S	.	.			trans	-79.1	135.2	175.2	0	0	0	0	0	111.4	F8 R9 A15 R39	F8-A17 CarbonylContact O-C 3.53Å; F8-A17 WeakPolarHBondContact O-CA 3.45Å; R9-A17 HydrophobicContact CG-CB 4.44Å; A15-A17 PolarHBondContact O-N 2.92Å; A17-R39 PolarHBondContact O-NH2 2.89Å
18	F	88.5	Confident	84.5	Confident	11 Å²	11	54.3 Å²	54.3	5%	0.048	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-147.3	154.1	-174.3	55.4	-101.2	0	0	0	114.4	A4 Y6 A7 F8 L16 E22 F24 V48 Y52	A4-F18 HydrophobicContact CB-CD2 3.54Å; A4-F18 HydrophobicContact CB-CE2 3.54Å; Y6-F18 WeakPolarHBondContact O-CE2 3.12Å; A7-F18 CarbonylContact C-O 3.54Å; A7-F18 VanDerWaalsContact CA-O 3.3Å; A7-F18 WeakPolarHBondContact CA-O 3.49Å; F8-F18 HydrophobicContact CB-CD1 4.13Å; F8-F18 HydrophobicContact CB-CD2 3.93Å; F8-F18 HydrophobicContact CB-CE1 3.69Å; F8-F18 HydrophobicContact CB-CE2 3.48Å; F8-F18 VanDerWaalsContact CB-CE2 3.48Å; F8-F18 HydrophobicContact CB-CG 4.23Å; F8-F18 HydrophobicContact CB-CZ 3.35Å; F8-F18 HydrophobicContact CD1-CD1 4.2Å; F8-F18 AromaticContact CD1-CE1 3.67Å; F8-F18 HydrophobicContact CD1-CE1 3.67Å; F8-F18 HydrophobicContact CD1-CZ 4.11Å; F8-F18 AromaticContact CG-CE1 4Å; F8-F18 HydrophobicContact CG-CE1 4Å; F8-F18 AromaticContact CG-CZ 3.95Å; F8-F18 HydrophobicContact CG-CZ 3.95Å; F8-F18 PolarHBondContact N-O 3Å; F8-F18 PolarHBondContact O-N 3.37Å; L16-F18 WeakPolarHBondContact O-CD1 3.49Å; F18-E22 WeakPolarHBondContact CB-OE2 3.33Å; F18-F24 HydrophobicContact CB-CE1 4.48Å; F18-F24 HydrophobicContact CB-CE2 4.28Å; F18-F24 HydrophobicContact CB-CZ 3.57Å; F18-F24 HydrophobicContact CD1-CE1 4.49Å; F18-F24 HydrophobicContact CD1-CE2 4.4Å; F18-F24 AromaticContact CD1-CZ 3.92Å; F18-F24 HydrophobicContact CD1-CZ 3.92Å; F18-F24 HydrophobicContact CD2-CE2 4.35Å; F18-F24 HydrophobicContact CD2-CZ 4.4Å; F18-F24 HydrophobicContact CG-CE2 4.11Å; F18-F24 AromaticContact CG-CZ 3.73Å; F18-F24 HydrophobicContact CG-CZ 3.73Å; F18-V48 HydrophobicContact CD1-CG1 3.96Å; F18-V48 HydrophobicContact CE1-CB 3.9Å; F18-V48 HydrophobicContact CE1-CG1 3.65Å; F18-Y52 HydrophobicContact CE2-CD1 4.46Å; F18-Y52 HydrophobicContact CZ-CG 4.48Å
19	A	89.7	Confident	84.4	Confident	51 Å²	51	61.3 Å²	61.3	42%	0.421	35%	0.348	S	S	.	.			trans	-85.4	158.2	171.7	0	0	0	0	0	112.4	G21 E22	A19-G21 PolarHBondContact O-N 3.14Å; A19-E22 HydrophobicContact CB-CG 4.37Å; A19-E22 WeakPolarHBondContact CB-OE1 3.47Å; A19-E22 PolarHBondContact N-OE1 3.18Å; A19-E22 PolarHBondContact O-N 3.22Å
20	A	86.9	Confident	84.2	Confident	61 Å²	61	52.9 Å²	52.9	50%	0.504	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	135.2	171.5	0	0	0	0	0	110.4
21	G	83.9	Confident	84.3	Confident	26 Å²	26	53.1 Å²	53.1	27%	0.268	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-9.1	178.3	0	0	0	0	0	115.9	R3 A4 A19	R3-G21 WeakPolarHBondContact CG-O 3.37Å; R3-G21 PolarHBondContact NE-O 3.38Å; A4-G21 WeakPolarHBondContact O-CA 3.16Å; A4-G21 PolarHBondContact O-N 3.32Å; A19-G21 PolarHBondContact O-N 3.14Å
22	E	89.3	Confident	84.4	Confident	47 Å²	47	51.7 Å²	51.7	22%	0.22	31%	0.314	C	S	.	.			trans	-63.7	155.3	173.7	-74	-174.9	-145.1	0	0	113	R3 A4 F18 A19 F24 R39	R3-E22 CarbonylContact C-O 3.52Å; R3-E22 VanDerWaalsContact CA-O 3.25Å; R3-E22 WeakPolarHBondContact CA-O 3.4Å; R3-E22 WeakPolarHBondContact CG-O 3.49Å; A4-E22 PolarHBondContact N-O 3.22Å; F18-E22 WeakPolarHBondContact CB-OE2 3.33Å; A19-E22 HydrophobicContact CB-CG 4.37Å; A19-E22 WeakPolarHBondContact CB-OE1 3.47Å; A19-E22 PolarHBondContact N-OE1 3.18Å; A19-E22 PolarHBondContact O-N 3.22Å; E22-F24 HydrophobicContact CB-CE2 3.67Å; E22-F24 HydrophobicContact CB-CZ 3.8Å; E22-R39 IonicContact OE1-NH2 3.33Å; E22-R39 PolarHBondContact OE1-NH2 3.38Å; E22-R39 IonicContact OE2-CZ 3.19Å; E22-R39 IonicContact OE2-NE 2.74Å; E22-R39 PolarHBondContact OE2-NE 2.97Å; E22-R39 IonicContact OE2-NH2 2.74Å; E22-R39 PolarHBondContact OE2-NH2 2.8Å
23	T	89.3	Confident	84.6	Confident	30 Å²	30	53.7 Å²	53.7	18%	0.184	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143	-177.3	48.4	0	0	0	0	113.6	M1 Y2 R3 A40 L56	M1-T23 HydrophobicContact SD-CG2 4.11Å; Y2-T23 CarbonylContact O-C 3.55Å; Y2-T23 VanDerWaalsContact O-CA 3.23Å; Y2-T23 WeakPolarHBondContact O-CA 3.44Å; R3-T23 HydrophobicContact CB-CG2 4.31Å; R3-T23 HydrophobicContact CG-CG2 4.18Å; T23-A40 WeakPolarHBondContact O-CB 3.47Å; T23-A40 PolarHBondContact O-N 2.82Å; T23-L56 HydrophobicContact CG2-CD1 3.84Å
24	F	88.9	Confident	85.5	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	145.8	-170.8	-61.4	-81.7	0	0	0	112.7	M1 Y2 A4 L16 F18 E22 A37 A38 R39 L53	M1-F24 CarbonylContact C-O 3.59Å; M1-F24 WeakPolarHBondContact CG-O 3.25Å; Y2-F24 PolarHBondContact N-O 2.93Å; Y2-F24 PolarHBondContact O-N 2.87Å; A4-F24 HydrophobicContact CB-CE2 4.05Å; L16-F24 HydrophobicContact CD2-CD1 4.28Å; L16-F24 HydrophobicContact CD2-CE1 3.77Å; F18-F24 HydrophobicContact CB-CE1 4.48Å; F18-F24 HydrophobicContact CB-CE2 4.28Å; F18-F24 HydrophobicContact CB-CZ 3.57Å; F18-F24 HydrophobicContact CD1-CE1 4.49Å; F18-F24 HydrophobicContact CD1-CE2 4.4Å; F18-F24 AromaticContact CD1-CZ 3.92Å; F18-F24 HydrophobicContact CD1-CZ 3.92Å; F18-F24 HydrophobicContact CD2-CE2 4.35Å; F18-F24 HydrophobicContact CD2-CZ 4.4Å; F18-F24 HydrophobicContact CG-CE2 4.11Å; F18-F24 AromaticContact CG-CZ 3.73Å; F18-F24 HydrophobicContact CG-CZ 3.73Å; E22-F24 HydrophobicContact CB-CE2 3.67Å; E22-F24 HydrophobicContact CB-CZ 3.8Å; F24-A37 HydrophobicContact CB-CB 4.25Å; F24-A38 CarbonylContact C-O 3.54Å; F24-A38 WeakPolarHBondContact CA-O 3.39Å; F24-R39 HydrophobicContact CD1-CB 4.29Å; F24-R39 HydrophobicContact CE1-CB 3.97Å; F24-R39 HydrophobicContact CE1-CG 4.32Å; F24-L53 HydrophobicContact CD2-CD2 3.85Å; F24-L53 HydrophobicContact CE2-CD2 4.39Å
25	L	87.8	Confident	86.2	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.5	168.2	-177.4	75.7	0	0	0	108.1	L27 A37 A38 V63 I67 L96	L25-L27 HydrophobicContact CD2-CD2 3.75Å; L25-L27 HydrophobicContact CG-CD2 4.07Å; L25-L27 PolarHBondContact O-N 2.99Å; L25-A37 CarbonylContact O-C 3.5Å; L25-A37 WeakPolarHBondContact O-CA 3.34Å; L25-A37 WeakPolarHBondContact O-CB 3.4Å; L25-A38 HydrophobicContact CB-CB 4.43Å; L25-A38 PolarHBondContact N-O 2.84Å; L25-A38 PolarHBondContact O-N 2.67Å; L25-V63 HydrophobicContact CD1-CG1 3.81Å; L25-I67 HydrophobicContact CD1-CG1 4.29Å; L25-I67 HydrophobicContact CD2-CB 4.34Å; L25-I67 HydrophobicContact CD2-CG1 3.44Å; L25-I67 VanDerWaalsContact CD2-CG1 3.44Å; L25-L96 HydrophobicContact CD2-CD2 3.95Å
26	V	87.7	Confident	86.4	Confident	25 Å²	25	48.3 Å²	48.3	15%	0.152	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.8	178.6	173.6	0	0	0	0	108.8	Y2 R29 W35 A37	Y2-V26 HydrophobicContact CD2-CB 4.14Å; Y2-V26 HydrophobicContact CD2-CG2 3.41Å; Y2-V26 VanDerWaalsContact CD2-CG2 3.41Å; Y2-V26 HydrophobicContact CE2-CB 4.01Å; Y2-V26 HydrophobicContact CE2-CG2 3.63Å; Y2-V26 HydrophobicContact CG-CG2 4.09Å; V26-R29 HydrophobicContact CG1-CG 4.13Å; V26-W35 HydrophobicContact CG1-CB 4.21Å; V26-W35 HydrophobicContact CG1-CD2 4.45Å; V26-W35 HydrophobicContact CG1-CE3 4.01Å; V26-W35 HydrophobicContact CG2-CE3 3.92Å; V26-A37 HydrophobicContact CG2-CB 4.35Å
27	L	83.8	Confident	86.5	Confident	26 Å²	26	47.9 Å²	47.9	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-34.8	-178.6	-54.6	-178.1	0	0	0	111.7	L25 L36 A38 T45 V92 K95 L96	L25-L27 HydrophobicContact CD2-CD2 3.75Å; L25-L27 HydrophobicContact CG-CD2 4.07Å; L25-L27 PolarHBondContact O-N 2.99Å; L27-L36 HydrophobicContact CB-CG 4.44Å; L27-L36 PolarHBondContact N-O 2.74Å; L27-A38 HydrophobicContact CD1-CB 4.4Å; L27-T45 HydrophobicContact CD1-CG2 4.21Å; L27-V92 HydrophobicContact CD1-CG1 4.03Å; L27-K95 HydrophobicContact CB-CB 4.48Å; L27-L96 HydrophobicContact CD1-CD2 4.19Å; L27-L96 HydrophobicContact CD1-CG 4.08Å; L27-L96 HydrophobicContact CD2-CD2 3.49Å; L27-L96 VanDerWaalsContact CD2-CD2 3.49Å; L27-L96 HydrophobicContact CD2-CG 4.03Å
28	E	84.8	Confident	86.6	Confident	71 Å²	71	45.6 Å²	45.6	33%	0.332	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.3	179.8	-177.6	-177.3	-118.4	0	0	110.7	S30 W35 L36 K95	E28-S30 WeakPolarHBondContact CG-OG 3.43Å; E28-S30 PolarHBondContact O-N 2.84Å; E28-S30 PolarHBondContact OE2-OG 3.11Å; E28-W35 CarbonylContact O-C 3.47Å; E28-W35 WeakPolarHBondContact O-CA 3.39Å; E28-W35 WeakPolarHBondContact O-CB 3.39Å; E28-L36 HydrophobicContact CB-CB 4.13Å; E28-L36 PolarHBondContact N-O 2.82Å; E28-L36 PolarHBondContact O-N 3.33Å; E28-K95 HydrophobicContact CB-CD 4.42Å; E28-K95 VanDerWaalsContact OE1-CE 3.32Å; E28-K95 WeakPolarHBondContact OE1-CE 3.4Å; E28-K95 IonicContact OE1-NZ 2.82Å; E28-K95 PolarHBondContact OE1-NZ 3.01Å; E28-K95 IonicContact OE2-NZ 2.7Å; E28-K95 PolarHBondContact OE2-NZ 3.28Å
29	R	87	Confident	86.6	Confident	172 Å²	172	46.9 Å²	46.9	65%	0.649	26%	0.261	S	S	*	.			trans	-98.2	64	175.9	-61.6	178.8	70.7	-165.1	-1.5	110	V26 S31 W35	V26-R29 HydrophobicContact CG1-CG 4.13Å; R29-S31 VanDerWaalsContact C-N 3.25Å; R29-S31 PolarHBondContact O-N 3.29Å; R29-S31 VanDerWaalsContact O-N 3.17Å; R29-W35 VanDerWaalsContact CA-CD1 3.49Å; R29-W35 HydrophobicContact CB-CD2 4.34Å; R29-W35 HydrophobicContact CB-CG 4.18Å; R29-W35 HydrophobicContact CG-CD2 3.87Å; R29-W35 HydrophobicContact CG-CE3 4.34Å; R29-W35 HydrophobicContact CG-CG 4.1Å; R29-W35 HydrophobicContact CG-CZ2 4.5Å; R29-W35 VanDerWaalsContact NH2-CZ2 3.32Å
30	S	81.7	Confident	86.4	Confident	52 Å²	52	44.9 Å²	44.9	36%	0.364	25%	0.245	S	C	.	.			trans	-62	-26.2	-164.3	-38.3	0	0	0	0	114.3	E28	E28-S30 WeakPolarHBondContact CG-OG 3.43Å; E28-S30 PolarHBondContact O-N 2.84Å; E28-S30 PolarHBondContact OE2-OG 3.11Å
31	S	82.8	Confident	86.2	Confident	52 Å²	52	51.8 Å²	51.8	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	-153.4	179.8	168.6	71.4	0	0	0	0	112.8	R29 H33 W34 W35	R29-S31 VanDerWaalsContact C-N 3.25Å; R29-S31 PolarHBondContact O-N 3.29Å; R29-S31 VanDerWaalsContact O-N 3.17Å; S31-H33 PolarHBondContact O-N 2.91Å; S31-H33 PolarHBondContact OG-N 2.96Å; S31-W34 PolarHBondContact N-O 3.05Å; S31-W34 WeakPolarHBondContact OG-CB 3.35Å; S31-W34 PolarHBondContact OG-N 3.17Å; S31-W34 PolarHBondContact OG-O 2.75Å; S31-W35 PolarHBondContact O-NE1 2.74Å; S31-W35 VanDerWaalsContact O-NE1 3.11Å
32	A	76.3	Confident	86	Confident	78 Å²	78	53.3 Å²	53.3	65%	0.645	27%	0.265	S	S	*	.	S	Bend	trans	-63.5	-27.3	172.8	0	0	0	0	0	113.5	P50	A32-P50 WeakPolarHBondContact O-CG 3.35Å
33	H	83.3	Confident	85.6	Confident	143 Å²	143	51.1 Å²	51.1	66%	0.662	26%	0.255	S	S	*	.	S	Bend	trans	-112.2	-12.6	-173.4	-58.5	-58.1	0	0	0	114.2	S31 P49 P50	S31-H33 PolarHBondContact O-N 2.91Å; S31-H33 PolarHBondContact OG-N 2.96Å; H33-P49 WeakPolarHBondContact O-CA 3.35Å; H33-P50 VanDerWaalsContact C-CD 3.44Å; H33-P50 WeakPolarHBondContact O-CD 3.33Å
34	W	88.1	Confident	85.5	Confident	70 Å²	70	54.1 Å²	54.1	27%	0.265	27%	0.266	S	S	.	.			trans	-142.8	122.6	-176.3	-62.9	108.2	0	0	0	111.6	F8 E12 A15 S31 Y47 P49	F8-W34 HydrophobicContact CE1-CH2 4.3Å; F8-W34 HydrophobicContact CE1-CZ3 4.08Å; F8-W34 AromaticContact CZ-CH2 3.72Å; F8-W34 HydrophobicContact CZ-CH2 3.72Å; F8-W34 AromaticContact CZ-CZ3 3.89Å; F8-W34 HydrophobicContact CZ-CZ3 3.89Å; E12-W34 VanDerWaalsContact OE2-CH2 3.29Å; E12-W34 WeakPolarHBondContact OE2-CH2 3.32Å; E12-W34 WeakPolarHBondContact OE2-CZ2 3.3Å; A15-W34 HydrophobicContact CB-CH2 3.95Å; A15-W34 HydrophobicContact CB-CZ3 3.9Å; S31-W34 PolarHBondContact N-O 3.05Å; S31-W34 WeakPolarHBondContact OG-CB 3.35Å; S31-W34 PolarHBondContact OG-N 3.17Å; S31-W34 PolarHBondContact OG-O 2.75Å; W34-Y47 HydrophobicContact CB-CD1 4.25Å; W34-P49 HydrophobicContact CE3-CG 4.08Å; W34-P49 HydrophobicContact CH2-CG 4.28Å; W34-P49 HydrophobicContact CZ3-CG 3.74Å
35	W	91.4	Very high	85.4	Confident	28 Å²	28	56.4 Å²	56.4	11%	0.106	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.7	171.9	-63	-6.9	0	0	0	109.6	Y2 V26 E28 R29 S31 Y47 V48 P50	Y2-W35 AromaticContact CE1-CZ3 3.95Å; Y2-W35 HydrophobicContact CE1-CZ3 3.95Å; V26-W35 HydrophobicContact CG1-CB 4.21Å; V26-W35 HydrophobicContact CG1-CD2 4.45Å; V26-W35 HydrophobicContact CG1-CE3 4.01Å; V26-W35 HydrophobicContact CG2-CE3 3.92Å; E28-W35 CarbonylContact O-C 3.47Å; E28-W35 WeakPolarHBondContact O-CA 3.39Å; E28-W35 WeakPolarHBondContact O-CB 3.39Å; R29-W35 VanDerWaalsContact CA-CD1 3.49Å; R29-W35 HydrophobicContact CB-CD2 4.34Å; R29-W35 HydrophobicContact CB-CG 4.18Å; R29-W35 HydrophobicContact CG-CD2 3.87Å; R29-W35 HydrophobicContact CG-CE3 4.34Å; R29-W35 HydrophobicContact CG-CG 4.1Å; R29-W35 HydrophobicContact CG-CZ2 4.5Å; R29-W35 VanDerWaalsContact NH2-CZ2 3.32Å; S31-W35 PolarHBondContact O-NE1 2.74Å; S31-W35 VanDerWaalsContact O-NE1 3.11Å; W35-Y47 CarbonylContact O-C 3.58Å; W35-Y47 WeakPolarHBondContact O-CA 3.37Å; W35-V48 PolarHBondContact N-O 2.89Å; W35-V48 WeakPolarHBondContact O-CG2 3.42Å; W35-V48 PolarHBondContact O-N 3.37Å; W35-P50 HydrophobicContact CD2-CB 3.63Å; W35-P50 HydrophobicContact CD2-CG 4.22Å; W35-P50 HydrophobicContact CE3-CB 3.83Å; W35-P50 HydrophobicContact CG-CB 4.29Å; W35-P50 HydrophobicContact CG-CG 4.48Å; W35-P50 HydrophobicContact CH2-CB 3.59Å; W35-P50 HydrophobicContact CZ2-CB 3.36Å; W35-P50 HydrophobicContact CZ2-CG 3.99Å; W35-P50 HydrophobicContact CZ3-CB 3.83Å
36	L	88.7	Confident	85.4	Confident	12 Å²	12	56.7 Å²	56.7	6%	0.063	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.7	173	-177.7	63.4	0	0	0	108.9	L27 E28 Y47 V92 K95	L27-L36 HydrophobicContact CB-CG 4.44Å; L27-L36 PolarHBondContact N-O 2.74Å; E28-L36 HydrophobicContact CB-CB 4.13Å; E28-L36 PolarHBondContact N-O 2.82Å; E28-L36 PolarHBondContact O-N 3.33Å; L36-Y47 HydrophobicContact CB-CD1 4.22Å; L36-Y47 HydrophobicContact CB-CE1 3.91Å; L36-Y47 HydrophobicContact CD1-CE1 4.28Å; L36-Y47 HydrophobicContact CD1-CE2 4.31Å; L36-V92 HydrophobicContact CD2-CG2 4.17Å; L36-K95 HydrophobicContact CD2-CD 4.39Å
37	A	89.4	Confident	85.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	154.2	-178.2	0	0	0	0	0	112.8	F24 L25 V26 T45 G46 V48	F24-A37 HydrophobicContact CB-CB 4.25Å; L25-A37 CarbonylContact O-C 3.5Å; L25-A37 WeakPolarHBondContact O-CA 3.34Å; L25-A37 WeakPolarHBondContact O-CB 3.4Å; V26-A37 HydrophobicContact CG2-CB 4.35Å; A37-T45 WeakPolarHBondContact O-CA 3.4Å; A37-G46 PolarHBondContact N-O 2.84Å; A37-G46 PolarHBondContact O-N 2.83Å; A37-G46 VanDerWaalsContact O-O 3.13Å; A37-V48 HydrophobicContact CB-CG2 3.56Å
38	A	88.8	Confident	85.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.4	168.6	0	0	0	0	0	110.9	F24 L25 L27 A40 E44 T45 A70	F24-A38 CarbonylContact C-O 3.54Å; F24-A38 WeakPolarHBondContact CA-O 3.39Å; L25-A38 HydrophobicContact CB-CB 4.43Å; L25-A38 PolarHBondContact N-O 2.84Å; L25-A38 PolarHBondContact O-N 2.67Å; L27-A38 HydrophobicContact CD1-CB 4.4Å; A38-A40 PolarHBondContact O-N 3.27Å; A38-E44 CarbonylContact C-O 3.56Å; A38-E44 WeakPolarHBondContact CA-O 3.48Å; A38-T45 HydrophobicContact CB-CG2 3.76Å; A38-A70 HydrophobicContact CB-CB 3.63Å
39	R	89.4	Confident	86	Confident	37 Å²	37	55.2 Å²	55.2	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	116.6	173.9	175.2	179.6	-95.3	144.3	-4.9	109.7	L16 A17 E22 F24 R41 S42 G43 E44	L16-R39 HydrophobicContact CD2-CB 4.35Å; A17-R39 PolarHBondContact O-NH2 2.89Å; E22-R39 IonicContact OE1-NH2 3.33Å; E22-R39 PolarHBondContact OE1-NH2 3.38Å; E22-R39 IonicContact OE2-CZ 3.19Å; E22-R39 IonicContact OE2-NE 2.74Å; E22-R39 PolarHBondContact OE2-NE 2.97Å; E22-R39 IonicContact OE2-NH2 2.74Å; E22-R39 PolarHBondContact OE2-NH2 2.8Å; F24-R39 HydrophobicContact CD1-CB 4.29Å; F24-R39 HydrophobicContact CE1-CB 3.97Å; F24-R39 HydrophobicContact CE1-CG 4.32Å; R39-R41 PolarHBondContact O-N 3.39Å; R39-S42 WeakPolarHBondContact CD-OG 3.02Å; R39-S42 WeakPolarHBondContact CG-OG 3.23Å; R39-S42 PolarHBondContact O-N 2.82Å; R39-G43 WeakPolarHBondContact O-CA 3.42Å; R39-G43 PolarHBondContact O-N 3.42Å; R39-E44 HydrophobicContact CB-CB 4.41Å; R39-E44 IonicContact CZ-OE2 3.81Å; R39-E44 PolarHBondContact N-O 2.81Å; R39-E44 IonicContact NH1-OE2 2.67Å; R39-E44 PolarHBondContact NH1-OE2 2.93Å
40	A	84.5	Confident	86	Confident	10 Å²	10	48 Å²	48	8%	0.083	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.5	-169.7	0	0	0	0	0	114.7	M1 T23 A38 A66	M1-A40 HydrophobicContact CE-CB 4.34Å; M1-A40 HydrophobicContact SD-CB 4.47Å; T23-A40 WeakPolarHBondContact O-CB 3.47Å; T23-A40 PolarHBondContact O-N 2.82Å; A38-A40 PolarHBondContact O-N 3.27Å; A40-A66 HydrophobicContact CB-CB 3.76Å
41	R	82.6	Confident	86.3	Confident	205 Å²	205	49.7 Å²	49.7	77%	0.774	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-40.1	178.4	-72.1	-173.4	177.2	-119.6	-1.3	114.4	R39 R69	R39-R41 PolarHBondContact O-N 3.39Å; R41-R69 PolarHBondContact O-NH1 2.89Å
42	S	80.6	Confident	86.5	Confident	59 Å²	59	51.3 Å²	51.3	41%	0.413	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-9.8	-172.4	63.7	0	0	0	0	114.6	R39 E44 A73	R39-S42 WeakPolarHBondContact CD-OG 3.02Å; R39-S42 WeakPolarHBondContact CG-OG 3.23Å; R39-S42 PolarHBondContact O-N 2.82Å; S42-E44 PolarHBondContact O-N 2.82Å; S42-A73 WeakPolarHBondContact O-CB 3.47Å
43	G	81.8	Confident	87.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.239	C	C	.	.			trans	77.4	-6.6	-176.9	0	0	0	0	0	115.8	R39 T45 A70	R39-G43 WeakPolarHBondContact O-CA 3.42Å; R39-G43 PolarHBondContact O-N 3.42Å; G43-T45 PolarHBondContact O-N 2.83Å; G43-A70 VanDerWaalsContact CA-CA 3.46Å; G43-A70 WeakPolarHBondContact O-CA 3.48Å
44	E	85.4	Confident	87.4	Confident	93 Å²	93	49.1 Å²	49.1	44%	0.435	24%	0.235	S	C	.	.			trans	-60.5	131.4	-177.2	-173	-177	-173.8	0	0	112.7	L16 A38 R39 S42	L16-E44 HydrophobicContact CD1-CG 3.81Å; A38-E44 CarbonylContact C-O 3.56Å; A38-E44 WeakPolarHBondContact CA-O 3.48Å; R39-E44 HydrophobicContact CB-CB 4.41Å; R39-E44 IonicContact CZ-OE2 3.81Å; R39-E44 PolarHBondContact N-O 2.81Å; R39-E44 IonicContact NH1-OE2 2.67Å; R39-E44 PolarHBondContact NH1-OE2 2.93Å; S42-E44 PolarHBondContact O-N 2.82Å
45	T	87.1	Confident	87.3	Confident	48 Å²	48	54.9 Å²	54.9	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.9	-172.5	54	0	0	0	0	112.4	L27 A37 A38 G43 V74 V92	L27-T45 HydrophobicContact CD1-CG2 4.21Å; A37-T45 WeakPolarHBondContact O-CA 3.4Å; A38-T45 HydrophobicContact CB-CG2 3.76Å; G43-T45 PolarHBondContact O-N 2.83Å; T45-V74 HydrophobicContact CG2-CG2 4.31Å; T45-V92 HydrophobicContact CG2-CG1 3.6Å
46	G	88	Confident	86.8	Confident	9 Å²	9	56.3 Å²	56.3	9%	0.093	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	-176.9	173.7	0	0	0	0	0	112.7	A37	A37-G46 PolarHBondContact N-O 2.84Å; A37-G46 PolarHBondContact O-N 2.83Å; A37-G46 VanDerWaalsContact O-O 3.13Å
47	Y	89.7	Confident	85.7	Confident	77 Å²	77	65.5 Å²	65.5	30%	0.302	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.1	-179.1	-69	-81.8	0	0	0	112.1	N14 A15 L16 W34 W35 L36	N14-Y47 HydrophobicContact CB-CD2 4.01Å; N14-Y47 HydrophobicContact CB-CE2 4.4Å; N14-Y47 WeakPolarHBondContact O-CD2 3.45Å; N14-Y47 PolarHBondContact O-N 2.82Å; A15-Y47 WeakPolarHBondContact CA-O 3.4Å; L16-Y47 PolarHBondContact N-O 2.81Å; W34-Y47 HydrophobicContact CB-CD1 4.25Å; W35-Y47 CarbonylContact O-C 3.58Å; W35-Y47 WeakPolarHBondContact O-CA 3.37Å; L36-Y47 HydrophobicContact CB-CD1 4.22Å; L36-Y47 HydrophobicContact CB-CE1 3.91Å; L36-Y47 HydrophobicContact CD1-CE1 4.28Å; L36-Y47 HydrophobicContact CD1-CE2 4.31Å
48	V	90.3	Very high	84.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139	-178.8	-66	0	0	0	0	111	L16 F18 W35 A37 L53	L16-V48 HydrophobicContact CB-CG1 3.95Å; L16-V48 HydrophobicContact CD2-CG1 4.18Å; F18-V48 HydrophobicContact CD1-CG1 3.96Å; F18-V48 HydrophobicContact CE1-CB 3.9Å; F18-V48 HydrophobicContact CE1-CG1 3.65Å; W35-V48 PolarHBondContact N-O 2.89Å; W35-V48 WeakPolarHBondContact O-CG2 3.42Å; W35-V48 PolarHBondContact O-N 3.37Å; A37-V48 HydrophobicContact CB-CG2 3.56Å; V48-L53 HydrophobicContact CB-CD1 4.47Å; V48-L53 HydrophobicContact CG2-CD1 3.76Å
49	P	89.6	Confident	82.9	Confident	14 Å²	14	73.6 Å²	73.6	9%	0.091	36%	0.361	C	S	.	.			trans	-75.1	127.1	177.4	-16.5	30.2	0	0	0	112.1	F8 H33 W34 A51 Y52	F8-P49 HydrophobicContact CD1-CG 4.25Å; F8-P49 HydrophobicContact CD2-CG 3.97Å; F8-P49 HydrophobicContact CE1-CG 3.88Å; F8-P49 HydrophobicContact CE2-CG 3.59Å; F8-P49 HydrophobicContact CG-CG 4.29Å; F8-P49 HydrophobicContact CZ-CG 3.53Å; H33-P49 WeakPolarHBondContact O-CA 3.35Å; W34-P49 HydrophobicContact CE3-CG 4.08Å; W34-P49 HydrophobicContact CH2-CG 4.28Å; W34-P49 HydrophobicContact CZ3-CG 3.74Å; P49-A51 VanDerWaalsContact C-N 3.29Å; P49-A51 PolarHBondContact O-N 3.49Å; P49-Y52 HydrophobicContact CB-CD2 3.91Å; P49-Y52 HydrophobicContact CB-CE2 4.45Å; P49-Y52 HydrophobicContact CG-CD2 4.43Å; P49-Y52 PolarHBondContact O-N 2.83Å
50	P	87.6	Confident	81.7	Confident	22 Å²	22	77.4 Å²	77.4	14%	0.143	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-69.2	-24.6	-175	26.9	-33.3	0	0	0	114	A32 H33 W35 Y52 L53	A32-P50 WeakPolarHBondContact O-CG 3.35Å; H33-P50 VanDerWaalsContact C-CD 3.44Å; H33-P50 WeakPolarHBondContact O-CD 3.33Å; W35-P50 HydrophobicContact CD2-CB 3.63Å; W35-P50 HydrophobicContact CD2-CG 4.22Å; W35-P50 HydrophobicContact CE3-CB 3.83Å; W35-P50 HydrophobicContact CG-CB 4.29Å; W35-P50 HydrophobicContact CG-CG 4.48Å; W35-P50 HydrophobicContact CH2-CB 3.59Å; W35-P50 HydrophobicContact CZ2-CB 3.36Å; W35-P50 HydrophobicContact CZ2-CG 3.99Å; W35-P50 HydrophobicContact CZ3-CB 3.83Å; P50-Y52 PolarHBondContact O-N 3.47Å; P50-Y52 VanDerWaalsContact O-N 3.14Å; P50-L53 PolarHBondContact O-N 3.23Å
51	A	87.4	Confident	80.8	Confident	87 Å²	87	83.7 Å²	83.7	72%	0.719	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20.6	175.3	0	0	0	0	0	113.3	P49	P49-A51 VanDerWaalsContact C-N 3.29Å; P49-A51 PolarHBondContact O-N 3.49Å
52	Y	87.6	Confident	80.3	Confident	85 Å²	85	77.6 Å²	77.6	33%	0.333	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-90.1	-7	178.3	-73.5	-115.4	0	0	0	112.2	A4 L5 Y6 F8 F18 P49 P50	A4-Y52 CarbonylContact C-O 3.59Å; A4-Y52 WeakPolarHBondContact CA-O 3.29Å; L5-Y52 PolarHBondContact N-O 3.43Å; Y6-Y52 HydrophobicContact CD2-CD1 4.48Å; F8-Y52 HydrophobicContact CB-CD1 4.08Å; F8-Y52 HydrophobicContact CB-CE1 4.27Å; F8-Y52 HydrophobicContact CD2-CE1 4.2Å; F18-Y52 HydrophobicContact CE2-CD1 4.46Å; F18-Y52 HydrophobicContact CZ-CG 4.48Å; P49-Y52 HydrophobicContact CB-CD2 3.91Å; P49-Y52 HydrophobicContact CB-CE2 4.45Å; P49-Y52 HydrophobicContact CG-CD2 4.43Å; P49-Y52 PolarHBondContact O-N 2.83Å; P50-Y52 PolarHBondContact O-N 3.47Å; P50-Y52 VanDerWaalsContact O-N 3.14Å
53	L	89.1	Confident	80.2	Confident	19 Å²	19	75.6 Å²	75.6	10%	0.099	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.3	-170.1	-60.7	-178.2	0	0	0	112.6	Y2 R3 A4 F24 V48 P50	Y2-L53 HydrophobicContact CD1-CB 4.12Å; R3-L53 WeakPolarHBondContact O-CA 3.15Å; A4-L53 HydrophobicContact CB-CD2 4.38Å; F24-L53 HydrophobicContact CD2-CD2 3.85Å; F24-L53 HydrophobicContact CE2-CD2 4.39Å; V48-L53 HydrophobicContact CB-CD1 4.47Å; V48-L53 HydrophobicContact CG2-CD1 3.76Å; P50-L53 PolarHBondContact O-N 3.23Å
54	R	88.4	Confident	80.1	Confident	156 Å²	156	77 Å²	77	59%	0.589	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.2	167	-174.8	172.1	-70	169.1	0.2	109.8	Y2 R3 L5 L56	Y2-R54 CarbonylContact C-O 3.53Å; Y2-R54 VanDerWaalsContact CA-O 3.32Å; Y2-R54 WeakPolarHBondContact CA-O 3.33Å; R3-R54 PolarHBondContact N-O 2.82Å; R3-R54 PolarHBondContact O-N 3.11Å; L5-R54 HydrophobicContact CD1-CB 4.17Å; L5-R54 HydrophobicContact CD2-CB 3.88Å; L5-R54 HydrophobicContact CG-CB 4.03Å; R54-L56 PolarHBondContact O-N 3.13Å
55	R	85.3	Confident	80	Confident	191 Å²	191	77.1 Å²	77.1	72%	0.721	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	130.4	174.1	-170.3	177.5	-179.7	-175.4	1.8	109.5	Y2	Y2-R55 HydrophobicContact CD1-CB 4Å; Y2-R55 HydrophobicContact CE1-CB 3.66Å; Y2-R55 HydrophobicContact CE1-CG 4.05Å
56	L	81.4	Confident	79.7	Confident	59 Å²	59	75 Å²	75	31%	0.309	37%	0.371	S	S	.	.			trans	-99.4	132.2	168	-66.7	-179.2	0	0	0	109.4	M1 R3 T23 R54 G58	M1-L56 HydrophobicContact CB-CB 4.46Å; M1-L56 PolarHBondContact O-N 3.27Å; R3-L56 HydrophobicContact CB-CD1 3.86Å; R3-L56 HydrophobicContact CB-CD2 4.1Å; R3-L56 HydrophobicContact CB-CG 3.87Å; T23-L56 HydrophobicContact CG2-CD1 3.84Å; R54-L56 PolarHBondContact O-N 3.13Å; L56-G58 PolarHBondContact O-N 3.36Å
57	Q	64.9	Low	79.5	Confident	204 Å²	204	74.5 Å²	74.5	95%	0.953	37%	0.367	S	S	*	.			trans	-77.3	100.9	152.4	-75.2	169.8	-32.7	0	0	106.3
58	G	60.1	Low	79.3	Confident	40 Å²	40	73.9 Å²	73.9	41%	0.412	37%	0.369	S	S	.	.			trans	-110.7	163.2	174.3	0	0	0	0	0	110.1	L56	L56-G58 PolarHBondContact O-N 3.36Å
59	L	60.5	Low	79	Confident	130 Å²	130	79.2 Å²	79.2	68%	0.681	39%	0.389	S	S	*	.			trans	-63.2	140	172.6	-73.3	151.8	0	0	0	109.5	Q61 D62	L59-Q61 PolarHBondContact O-N 3.48Å; L59-Q61 VanDerWaalsContact O-N 3.14Å; L59-D62 WeakPolarHBondContact O-CB 3.32Å; L59-D62 PolarHBondContact O-N 3.12Å
60	E	63.3	Low	78.8	Confident	118 Å²	118	78.5 Å²	78.5	55%	0.551	38%	0.384	S	S	*	.	H	α-helix	trans	-61.5	-26	-177.4	-60.8	-172.5	142	0	0	112.4	D62 V63 L64	E60-D62 PolarHBondContact O-N 2.88Å; E60-V63 WeakPolarHBondContact O-CB 3.48Å; E60-V63 PolarHBondContact O-N 3.17Å; E60-V63 VanDerWaalsContact O-N 3.15Å; E60-L64 PolarHBondContact O-N 3.29Å; E60-L64 VanDerWaalsContact O-N 3.1Å
61	Q	65.3	Low	78.6	Confident	142 Å²	142	79.4 Å²	79.4	66%	0.664	39%	0.388	S	S	*	.	H	α-helix	trans	-66	-34.1	176.1	-163.8	163.4	-0.1	0	0	113	L59 V63 Q65	L59-Q61 PolarHBondContact O-N 3.48Å; L59-Q61 VanDerWaalsContact O-N 3.14Å; Q61-V63 VanDerWaalsContact C-N 3.27Å; Q61-V63 PolarHBondContact O-N 3.38Å; Q61-Q65 WeakPolarHBondContact O-CG 3.41Å; Q61-Q65 PolarHBondContact O-N 3.48Å
62	D	72.7	Confident	78.6	Confident	77 Å²	77	80.9 Å²	80.9	41%	0.412	38%	0.38	S	S	.	.	H	α-helix	trans	-69.8	-28.3	173.6	-61.6	-34	0	0	0	111.6	M1 L59 E60 A66	M1-D62 HydrophobicContact CE-CB 3.92Å; M1-D62 WeakPolarHBondContact CE-O 3.48Å; L59-D62 WeakPolarHBondContact O-CB 3.32Å; L59-D62 PolarHBondContact O-N 3.12Å; E60-D62 PolarHBondContact O-N 2.88Å; D62-A66 WeakPolarHBondContact O-CB 3.38Å; D62-A66 PolarHBondContact O-N 2.96Å
63	V	78.8	Confident	78.5	Confident	17 Å²	17	77.8 Å²	77.8	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-74	-45.5	178.8	-177.6	0	0	0	0	110.3	L25 E60 Q61 A66 I67 T103	L25-V63 HydrophobicContact CD1-CG1 3.81Å; E60-V63 WeakPolarHBondContact O-CB 3.48Å; E60-V63 PolarHBondContact O-N 3.17Å; E60-V63 VanDerWaalsContact O-N 3.15Å; Q61-V63 VanDerWaalsContact C-N 3.27Å; Q61-V63 PolarHBondContact O-N 3.38Å; V63-A66 PolarHBondContact O-N 3.24Å; V63-I67 HydrophobicContact CG1-CD1 4.05Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.41Å; V63-I67 PolarHBondContact O-N 2.7Å; V63-T103 HydrophobicContact CG1-CG2 4.16Å
64	L	80.6	Confident	78.3	Confident	30 Å²	30	77.1 Å²	77.1	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-59.8	-46.3	176	-75.3	169.2	0	0	0	112.2	E60 A66 I67 D68 R100 T103 L104	E60-L64 PolarHBondContact O-N 3.29Å; E60-L64 VanDerWaalsContact O-N 3.1Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 3.27Å; L64-I67 WeakPolarHBondContact O-CB 3.43Å; L64-I67 PolarHBondContact O-N 3.42Å; L64-I67 VanDerWaalsContact O-N 3.11Å; L64-D68 PolarHBondContact O-N 3.05Å; L64-R100 HydrophobicContact CD2-CG 4.4Å; L64-T103 WeakPolarHBondContact CD2-OG1 3.36Å; L64-L104 HydrophobicContact CD1-CD2 4.01Å; L64-L104 HydrophobicContact CD2-CD2 3.99Å; L64-L104 HydrophobicContact CD2-CG 3.98Å
65	Q	82.3	Confident	77.9	Confident	94 Å²	94	72.4 Å²	72.4	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-35.2	176.3	-69.1	-175.9	22.6	0	0	112.9	Q61 R69	Q61-Q65 WeakPolarHBondContact O-CG 3.41Å; Q61-Q65 PolarHBondContact O-N 3.48Å; Q65-R69 VanDerWaalsContact O-CG 3.25Å; Q65-R69 WeakPolarHBondContact O-CG 3.43Å; Q65-R69 PolarHBondContact O-N 3.36Å; Q65-R69 VanDerWaalsContact O-N 3.16Å
66	A	81.9	Confident	77.9	Confident	3 Å²	3	67.3 Å²	67.3	3%	0.025	34%	0.34	C	S	.	.	H	α-helix	trans	-69.5	-33	175	0	0	0	0	0	112.6	M1 A40 D62 V63 L64 A70	M1-A66 HydrophobicContact CE-CB 4.24Å; A40-A66 HydrophobicContact CB-CB 3.76Å; D62-A66 WeakPolarHBondContact O-CB 3.38Å; D62-A66 PolarHBondContact O-N 2.96Å; V63-A66 PolarHBondContact O-N 3.24Å; L64-A66 VanDerWaalsContact C-N 3.29Å; L64-A66 PolarHBondContact O-N 3.27Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.2Å
67	I	83.7	Confident	77.9	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.8	-49.8	173.8	-66.7	160.1	0	0	0	110.4	L25 V63 L64 R69 A70 I71 L96 R100 T103	L25-I67 HydrophobicContact CD1-CG1 4.29Å; L25-I67 HydrophobicContact CD2-CB 4.34Å; L25-I67 HydrophobicContact CD2-CG1 3.44Å; L25-I67 VanDerWaalsContact CD2-CG1 3.44Å; V63-I67 HydrophobicContact CG1-CD1 4.05Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.41Å; V63-I67 PolarHBondContact O-N 2.7Å; L64-I67 WeakPolarHBondContact O-CB 3.43Å; L64-I67 PolarHBondContact O-N 3.42Å; L64-I67 VanDerWaalsContact O-N 3.11Å; I67-R69 PolarHBondContact O-N 3.03Å; I67-A70 PolarHBondContact O-N 3.27Å; I67-A70 VanDerWaalsContact O-N 3.08Å; I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 WeakPolarHBondContact O-CG1 3.34Å; I67-I71 PolarHBondContact O-N 3.06Å; I67-L96 HydrophobicContact CG2-CD2 4.34Å; I67-R100 HydrophobicContact CG2-CB 3.82Å; I67-R100 HydrophobicContact CG2-CG 3.98Å; I67-T103 HydrophobicContact CD1-CG2 4.24Å
68	D	83.8	Confident	78.8	Confident	64 Å²	64	58 Å²	58	34%	0.342	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-43.2	-177.9	-70.8	-29.9	0	0	0	111.4	L64 A70 I71 E72 R100	L64-D68 PolarHBondContact O-N 3.05Å; D68-A70 VanDerWaalsContact C-N 3.32Å; D68-A70 PolarHBondContact O-N 3.37Å; D68-I71 PolarHBondContact O-N 2.78Å; D68-E72 PolarHBondContact O-N 3.07Å; D68-R100 IonicContact OD1-CZ 3.42Å; D68-R100 IonicContact OD1-NE 3.32Å; D68-R100 PolarHBondContact OD1-NE 3.47Å; D68-R100 IonicContact OD1-NH2 3.98Å; D68-R100 PolarHBondContact OD1-NH2 2.93Å; D68-R100 VanDerWaalsContact OD1-NH2 3.08Å; D68-R100 IonicContact OD2-NH2 2.66Å
69	R	85.6	Confident	79.7	Confident	111 Å²	111	61.7 Å²	61.7	42%	0.419	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-35.3	173.7	-70	173.1	-165.1	-138.7	5.1	113.5	R41 Q65 I67 E72 A73	R41-R69 PolarHBondContact O-NH1 2.89Å; Q65-R69 VanDerWaalsContact O-CG 3.25Å; Q65-R69 WeakPolarHBondContact O-CG 3.43Å; Q65-R69 PolarHBondContact O-N 3.36Å; Q65-R69 VanDerWaalsContact O-N 3.16Å; I67-R69 PolarHBondContact O-N 3.03Å; R69-E72 PolarHBondContact O-N 3.4Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.25Å
70	A	83.8	Confident	80.6	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.5	-36.5	178	0	0	0	0	0	112.3	A38 G43 A66 I67 D68 V74 L96	A38-A70 HydrophobicContact CB-CB 3.63Å; G43-A70 VanDerWaalsContact CA-CA 3.46Å; G43-A70 WeakPolarHBondContact O-CA 3.48Å; A66-A70 WeakPolarHBondContact O-CB 3.43Å; A66-A70 PolarHBondContact O-N 3.2Å; I67-A70 PolarHBondContact O-N 3.27Å; I67-A70 VanDerWaalsContact O-N 3.08Å; D68-A70 VanDerWaalsContact C-N 3.32Å; D68-A70 PolarHBondContact O-N 3.37Å; A70-V74 WeakPolarHBondContact O-CG2 3.31Å; A70-V74 PolarHBondContact O-N 3.45Å; A70-L96 HydrophobicContact CB-CD1 3.84Å; A70-L96 HydrophobicContact CB-CD2 3.58Å; A70-L96 HydrophobicContact CB-CG 4.39Å
71	I	84.4	Confident	81.2	Confident	41 Å²	41	65.4 Å²	65.4	21%	0.21	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-46	171.6	-67.4	169.1	0	0	0	110	I67 D68 V74 H75 L93 L96 I97	I67-I71 HydrophobicContact CG2-CD1 3.91Å; I67-I71 WeakPolarHBondContact O-CG1 3.34Å; I67-I71 PolarHBondContact O-N 3.06Å; D68-I71 PolarHBondContact O-N 2.78Å; I71-V74 PolarHBondContact O-N 3.41Å; I71-H75 PolarHBondContact O-N 3.08Å; I71-H75 VanDerWaalsContact O-N 3.09Å; I71-L93 HydrophobicContact CB-CD1 4.4Å; I71-L93 HydrophobicContact CG1-CD1 4.16Å; I71-L93 HydrophobicContact CG2-CD1 3.87Å; I71-L96 HydrophobicContact CD1-CB 4.33Å; I71-L96 HydrophobicContact CG1-CB 3.82Å; I71-L96 HydrophobicContact CG1-CD1 4.1Å; I71-L96 HydrophobicContact CG1-CG 4.46Å; I71-I97 HydrophobicContact CD1-CG1 4.41Å
72	E	87.1	Confident	81.6	Confident	118 Å²	118	61.7 Å²	61.7	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-60.6	-45.6	177.9	-167.2	-171.6	168.8	0	0	112.4	D68 R69 V74 H75 N76	D68-E72 PolarHBondContact O-N 3.07Å; R69-E72 PolarHBondContact O-N 3.4Å; E72-V74 PolarHBondContact O-N 3.19Å; E72-H75 PolarHBondContact O-N 2.88Å; E72-N76 WeakPolarHBondContact O-CB 3.43Å; E72-N76 PolarHBondContact O-N 2.89Å; E72-N76 PolarHBondContact O-ND2 2.91Å
73	A	84.8	Confident	81.6	Confident	19 Å²	19	60 Å²	60	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-40	178.8	0	0	0	0	0	113.3	S42 R69 T77	S42-A73 WeakPolarHBondContact O-CB 3.47Å; R69-A73 WeakPolarHBondContact O-CB 3.33Å; R69-A73 PolarHBondContact O-N 3.25Å; A73-T77 PolarHBondContact O-N 3.28Å; A73-T77 PolarHBondContact O-OG1 3.42Å
74	V	85.3	Confident	81.3	Confident	6 Å²	6	67.3 Å²	67.3	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-65	-41.8	174.8	172.7	0	0	0	0	110.9	T45 A70 I71 E72 T77 A78 Y85 Q89 V92 L96	T45-V74 HydrophobicContact CG2-CG2 4.31Å; A70-V74 WeakPolarHBondContact O-CG2 3.31Å; A70-V74 PolarHBondContact O-N 3.45Å; I71-V74 PolarHBondContact O-N 3.41Å; E72-V74 PolarHBondContact O-N 3.19Å; V74-T77 PolarHBondContact O-N 3.44Å; V74-A78 PolarHBondContact O-N 3.39Å; V74-A78 VanDerWaalsContact O-N 3.07Å; V74-Y85 HydrophobicContact CG1-CD1 4.48Å; V74-Y85 HydrophobicContact CG1-CE1 4.38Å; V74-Q89 HydrophobicContact CG1-CB 3.98Å; V74-Q89 HydrophobicContact CG1-CG 4.23Å; V74-V92 HydrophobicContact CG2-CG1 3.92Å; V74-L96 HydrophobicContact CG2-CD1 4.44Å
75	H	81.2	Confident	81.4	Confident	57 Å²	57	68.1 Å²	68.1	26%	0.264	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-44.7	177.4	-173.2	55.4	0	0	0	112.4	I71 E72 T77 A78 M79 Y85 W401	I71-H75 PolarHBondContact O-N 3.08Å; I71-H75 VanDerWaalsContact O-N 3.09Å; E72-H75 PolarHBondContact O-N 2.88Å; H75-T77 PolarHBondContact O-N 2.96Å; H75-A78 PolarHBondContact O-N 3.34Å; H75-M79 WeakPolarHBondContact O-CG 3.34Å; H75-M79 PolarHBondContact O-N 2.7Å; H75-Y85 AromaticContact ND1-CZ 3.69Å; H75-Y85 PolarHBondContact ND1-OH 3.41Å; H75-W401 AromaticContact CE1-CH2 3.69Å; H75-W401 AromaticContact CE1-CZ2 3.71Å; H75-W401 AromaticContact ND1-CH2 3.83Å; H75-W401 AromaticContact NE2-CZ2 3.86Å
76	N	83.9	Confident	81.5	Confident	84 Å²	84	66 Å²	66	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-60.6	-31.9	175.7	-75.9	-25.6	0	0	0	112.4	E72 R80	E72-N76 WeakPolarHBondContact O-CB 3.43Å; E72-N76 PolarHBondContact O-N 2.89Å; E72-N76 PolarHBondContact O-ND2 2.91Å; N76-R80 WeakPolarHBondContact O-CG 3.44Å; N76-R80 PolarHBondContact O-N 3.31Å
77	T	82.4	Confident	81.4	Confident	65 Å²	65	73.1 Å²	73.1	40%	0.399	38%	0.38	S	S	.	.	H	α-helix	trans	-69.1	-51.4	173.2	-52.9	0	0	0	0	110.7	A73 V74 H75 M79 R80 D81	A73-T77 PolarHBondContact O-N 3.28Å; A73-T77 PolarHBondContact O-OG1 3.42Å; V74-T77 PolarHBondContact O-N 3.44Å; H75-T77 PolarHBondContact O-N 2.96Å; T77-M79 VanDerWaalsContact C-N 3.27Å; T77-M79 PolarHBondContact O-N 3.27Å; T77-R80 WeakPolarHBondContact O-CB 3.31Å; T77-R80 PolarHBondContact O-N 3.06Å; T77-D81 PolarHBondContact O-N 2.92Å
78	A	83.6	Confident	81.2	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.008	41%	0.41	C	S	.	.	H	α-helix	trans	-60.3	-32.6	178.2	0	0	0	0	0	113.5	V74 H75 D81 G83 Y85	V74-A78 PolarHBondContact O-N 3.39Å; V74-A78 VanDerWaalsContact O-N 3.07Å; H75-A78 PolarHBondContact O-N 3.34Å; A78-D81 CarbonylContact O-C 3.57Å; A78-D81 PolarHBondContact O-N 3.47Å; A78-G83 WeakPolarHBondContact O-CA 3.43Å; A78-G83 PolarHBondContact O-N 3.09Å; A78-Y85 HydrophobicContact CB-CD1 3.66Å; A78-Y85 HydrophobicContact CB-CE1 3.86Å; A78-Y85 HydrophobicContact CB-CG 4.11Å
79	M	79.8	Confident	81	Confident	118 Å²	118	77.9 Å²	77.9	58%	0.581	40%	0.4	S	S	*	.	H	α-helix	trans	-66.6	-34	174.5	-75	-66.4	-76.6	0	0	112.8	H75 T77 D81	H75-M79 WeakPolarHBondContact O-CG 3.34Å; H75-M79 PolarHBondContact O-N 2.7Å; T77-M79 VanDerWaalsContact C-N 3.27Å; T77-M79 PolarHBondContact O-N 3.27Å; M79-D81 VanDerWaalsContact C-N 3.33Å
80	R	78.3	Confident	80.9	Confident	221 Å²	221	79.9 Å²	79.9	83%	0.834	41%	0.408	S	S	*	.	H	α-helix	trans	-71.8	-29	173.4	-68.4	178.5	67.5	-150	-3.5	112.5	N76 T77 G82	N76-R80 WeakPolarHBondContact O-CG 3.44Å; N76-R80 PolarHBondContact O-N 3.31Å; T77-R80 WeakPolarHBondContact O-CB 3.31Å; T77-R80 PolarHBondContact O-N 3.06Å; R80-G82 VanDerWaalsContact C-N 3.27Å; R80-G82 PolarHBondContact O-N 2.99Å
81	D	76.1	Confident	80.8	Confident	105 Å²	105	81 Å²	81	56%	0.561	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	24.8	179.5	-60.4	-26.3	0	0	0	113.2	T77 A78 M79	T77-D81 PolarHBondContact O-N 2.92Å; A78-D81 CarbonylContact O-C 3.57Å; A78-D81 PolarHBondContact O-N 3.47Å; M79-D81 VanDerWaalsContact C-N 3.33Å
82	G	73.1	Confident	80.8	Confident	64 Å²	64	79.6 Å²	79.6	66%	0.66	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	26.4	175.4	0	0	0	0	0	115.1	R80 K84	R80-G82 VanDerWaalsContact C-N 3.27Å; R80-G82 PolarHBondContact O-N 2.99Å; G82-K84 VanDerWaalsContact C-N 3.32Å; G82-K84 PolarHBondContact O-N 3.15Å
83	G	72.7	Confident	80.7	Confident	43 Å²	43	75.4 Å²	75.4	44%	0.443	39%	0.394	S	S	.	.	S	Bend	trans	77.1	11	173	0	0	0	0	0	115	A78	A78-G83 WeakPolarHBondContact O-CA 3.43Å; A78-G83 PolarHBondContact O-N 3.09Å
84	K	72.9	Confident	80.7	Confident	169 Å²	169	81.5 Å²	81.5	74%	0.735	42%	0.419	S	S	*	.			trans	-113.3	119	-177.3	-68.1	-179	-178.2	177.5	0	111.2	G82	G82-K84 VanDerWaalsContact C-N 3.32Å; G82-K84 PolarHBondContact O-N 3.15Å
85	Y	82.8	Confident	80.7	Confident	48 Å²	48	84.3 Å²	84.3	19%	0.188	43%	0.431	C	S	.	.			trans	-72.1	129.1	174.7	-63.7	-88.9	0	0	0	112.7	V74 H75 A78 Q89 R90 L93 W401	V74-Y85 HydrophobicContact CG1-CD1 4.48Å; V74-Y85 HydrophobicContact CG1-CE1 4.38Å; H75-Y85 AromaticContact ND1-CZ 3.69Å; H75-Y85 PolarHBondContact ND1-OH 3.41Å; A78-Y85 HydrophobicContact CB-CD1 3.66Å; A78-Y85 HydrophobicContact CB-CE1 3.86Å; A78-Y85 HydrophobicContact CB-CG 4.11Å; Y85-Q89 HydrophobicContact CD1-CB 4.32Å; Y85-R90 PolarHBondContact O-NE 3.42Å; Y85-R90 PolarHBondContact O-NH2 3.16Å; Y85-L93 HydrophobicContact CE1-CD2 4.1Å; Y85-W401 VanDerWaalsContact OH-CH2 3.23Å; Y85-W401 WeakPolarHBondContact OH-CH2 3.48Å
86	S	84.1	Confident	80.9	Confident	49 Å²	49	81.6 Å²	81.6	34%	0.343	42%	0.418	S	S	.	.			trans	-66	161.9	169	85	0	0	0	0	112	E88 Q89 R90	S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 3.2Å; S86-Q89 PolarHBondContact O-N 3.1Å; S86-Q89 VanDerWaalsContact OG-CG 3.31Å; S86-Q89 WeakPolarHBondContact OG-CG 3.48Å; S86-Q89 PolarHBondContact OG-N 2.97Å; S86-Q89 VanDerWaalsContact OG-N 3.13Å; S86-R90 WeakPolarHBondContact O-CG 3.25Å; S86-R90 PolarHBondContact O-N 3.48Å
87	L	80.3	Confident	80.9	Confident	153 Å²	153	80.8 Å²	80.8	80%	0.801	41%	0.413	S	S	*	.	H	α-helix	trans	-59.4	-39.7	178.6	-173.2	66	0	0	0	111.9	R90 G91	L87-R90 PolarHBondContact O-N 3.34Å; L87-G91 PolarHBondContact O-N 3.21Å; L87-G91 VanDerWaalsContact O-N 3.12Å
88	E	78.8	Confident	81	Confident	134 Å²	134	83.9 Å²	83.9	63%	0.626	42%	0.423	S	S	*	.	H	α-helix	trans	-67.3	-44.9	176.8	-61.1	-175.4	159.9	0	0	111.6	S86 R90 G91 V92	S86-E88 VanDerWaalsContact C-N 3.27Å; S86-E88 PolarHBondContact O-N 3.2Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 2.96Å; E88-G91 PolarHBondContact O-N 3.11Å; E88-G91 VanDerWaalsContact O-N 3.17Å; E88-V92 WeakPolarHBondContact O-CG2 3.31Å; E88-V92 PolarHBondContact O-N 3.25Å
89	Q	80.6	Confident	80.9	Confident	29 Å²	29	86.1 Å²	86.1	14%	0.136	43%	0.433	C	S	.	.	H	α-helix	trans	-59.8	-40.1	176.4	-73.2	167.2	-7.1	0	0	111.7	V74 Y85 S86 V92 L93	V74-Q89 HydrophobicContact CG1-CB 3.98Å; V74-Q89 HydrophobicContact CG1-CG 4.23Å; Y85-Q89 HydrophobicContact CD1-CB 4.32Å; S86-Q89 PolarHBondContact O-N 3.1Å; S86-Q89 VanDerWaalsContact OG-CG 3.31Å; S86-Q89 WeakPolarHBondContact OG-CG 3.48Å; S86-Q89 PolarHBondContact OG-N 2.97Å; S86-Q89 VanDerWaalsContact OG-N 3.13Å; Q89-V92 PolarHBondContact O-N 3.5Å; Q89-L93 VanDerWaalsContact O-CB 3.23Å; Q89-L93 WeakPolarHBondContact O-CB 3.4Å; Q89-L93 PolarHBondContact O-N 3.14Å
90	R	83.8	Confident	81.2	Confident	153 Å²	153	84.9 Å²	84.9	58%	0.577	42%	0.422	S	S	*	.	H	α-helix	trans	-62.5	-45.1	174.3	-67.2	174	-163.7	-144.5	0.8	111.8	Y85 S86 L87 E88 L93 Q94	Y85-R90 PolarHBondContact O-NE 3.42Å; Y85-R90 PolarHBondContact O-NH2 3.16Å; S86-R90 WeakPolarHBondContact O-CG 3.25Å; S86-R90 PolarHBondContact O-N 3.48Å; L87-R90 PolarHBondContact O-N 3.34Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 2.96Å; R90-L93 PolarHBondContact O-N 2.89Å; R90-Q94 WeakPolarHBondContact O-CB 3.42Å; R90-Q94 PolarHBondContact O-N 2.85Å
91	G	81.3	Confident	81.4	Confident	23 Å²	23	80.4 Å²	80.4	24%	0.237	41%	0.408	C	S	.	.	H	α-helix	trans	-64.6	-39.9	177.5	0	0	0	0	0	113.3	L87 E88 K95	L87-G91 PolarHBondContact O-N 3.21Å; L87-G91 VanDerWaalsContact O-N 3.12Å; E88-G91 PolarHBondContact O-N 3.11Å; E88-G91 VanDerWaalsContact O-N 3.17Å; G91-K95 WeakPolarHBondContact O-CD 3.45Å; G91-K95 VanDerWaalsContact O-CG 3.31Å; G91-K95 WeakPolarHBondContact O-CG 3.47Å; G91-K95 PolarHBondContact O-N 3.15Å; G91-K95 VanDerWaalsContact O-N 3.15Å
92	V	84.1	Confident	81.6	Confident	13 Å²	13	78.8 Å²	78.8	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-46.3	172.9	169.2	0	0	0	0	111	L27 L36 T45 V74 E88 Q89 K95 L96	L27-V92 HydrophobicContact CD1-CG1 4.03Å; L36-V92 HydrophobicContact CD2-CG2 4.17Å; T45-V92 HydrophobicContact CG2-CG1 3.6Å; V74-V92 HydrophobicContact CG2-CG1 3.92Å; E88-V92 WeakPolarHBondContact O-CG2 3.31Å; E88-V92 PolarHBondContact O-N 3.25Å; Q89-V92 PolarHBondContact O-N 3.5Å; V92-K95 PolarHBondContact O-N 3.06Å; V92-L96 HydrophobicContact CG1-CD1 3.88Å; V92-L96 WeakPolarHBondContact O-CG 3.23Å; V92-L96 PolarHBondContact O-N 3.29Å
93	L	84.8	Confident	82	Confident	29 Å²	29	76.7 Å²	76.7	15%	0.152	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-43	179.6	-176.4	61.6	0	0	0	111.8	I71 Y85 Q89 R90 K95 L96 I97	I71-L93 HydrophobicContact CB-CD1 4.4Å; I71-L93 HydrophobicContact CG1-CD1 4.16Å; I71-L93 HydrophobicContact CG2-CD1 3.87Å; Y85-L93 HydrophobicContact CE1-CD2 4.1Å; Q89-L93 VanDerWaalsContact O-CB 3.23Å; Q89-L93 WeakPolarHBondContact O-CB 3.4Å; Q89-L93 PolarHBondContact O-N 3.14Å; R90-L93 PolarHBondContact O-N 2.89Å; L93-K95 VanDerWaalsContact C-N 3.35Å; L93-K95 PolarHBondContact O-N 3.17Å; L93-L96 PolarHBondContact O-N 3.01Å; L93-I97 HydrophobicContact CD1-CD1 4.04Å; L93-I97 HydrophobicContact CD1-CG1 4.34Å; L93-I97 HydrophobicContact CG-CD1 3.86Å; L93-I97 WeakPolarHBondContact O-CB 3.38Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 3.4Å
94	Q	85.6	Confident	82.2	Confident	147 Å²	147	77.8 Å²	77.8	69%	0.687	37%	0.367	S	S	*	.	H	α-helix	trans	-60.5	-43	175.2	-169.3	-178.7	16.7	0	0	111.8	R90 I97 H98	R90-Q94 WeakPolarHBondContact O-CB 3.42Å; R90-Q94 PolarHBondContact O-N 2.85Å; Q94-I97 PolarHBondContact O-N 2.85Å; Q94-H98 WeakPolarHBondContact O-CB 3.46Å; Q94-H98 PolarHBondContact O-N 3.48Å
95	K	85	Confident	82.3	Confident	65 Å²	65	74.4 Å²	74.4	28%	0.283	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-43.3	175.5	-73.5	166.3	175.6	169.8	0	111.9	L27 E28 L36 G91 V92 L93 H98 H99	L27-K95 HydrophobicContact CB-CB 4.48Å; E28-K95 HydrophobicContact CB-CD 4.42Å; E28-K95 VanDerWaalsContact OE1-CE 3.32Å; E28-K95 WeakPolarHBondContact OE1-CE 3.4Å; E28-K95 IonicContact OE1-NZ 2.82Å; E28-K95 PolarHBondContact OE1-NZ 3.01Å; E28-K95 IonicContact OE2-NZ 2.7Å; E28-K95 PolarHBondContact OE2-NZ 3.28Å; L36-K95 HydrophobicContact CD2-CD 4.39Å; G91-K95 WeakPolarHBondContact O-CD 3.45Å; G91-K95 VanDerWaalsContact O-CG 3.31Å; G91-K95 WeakPolarHBondContact O-CG 3.47Å; G91-K95 PolarHBondContact O-N 3.15Å; G91-K95 VanDerWaalsContact O-N 3.15Å; V92-K95 PolarHBondContact O-N 3.06Å; L93-K95 VanDerWaalsContact C-N 3.35Å; L93-K95 PolarHBondContact O-N 3.17Å; K95-H98 PolarHBondContact O-N 3.22Å; K95-H99 WeakPolarHBondContact O-CB 3.33Å; K95-H99 PolarHBondContact O-N 3.09Å
96	L	84.7	Confident	81.7	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-61.7	-47	175.5	-77.9	166	0	0	0	112.2	L25 L27 I67 A70 I71 V74 V92 L93 H99 R100	L25-L96 HydrophobicContact CD2-CD2 3.95Å; L27-L96 HydrophobicContact CD1-CD2 4.19Å; L27-L96 HydrophobicContact CD1-CG 4.08Å; L27-L96 HydrophobicContact CD2-CD2 3.49Å; L27-L96 VanDerWaalsContact CD2-CD2 3.49Å; L27-L96 HydrophobicContact CD2-CG 4.03Å; I67-L96 HydrophobicContact CG2-CD2 4.34Å; A70-L96 HydrophobicContact CB-CD1 3.84Å; A70-L96 HydrophobicContact CB-CD2 3.58Å; A70-L96 HydrophobicContact CB-CG 4.39Å; I71-L96 HydrophobicContact CD1-CB 4.33Å; I71-L96 HydrophobicContact CG1-CB 3.82Å; I71-L96 HydrophobicContact CG1-CD1 4.1Å; I71-L96 HydrophobicContact CG1-CG 4.46Å; V74-L96 HydrophobicContact CG2-CD1 4.44Å; V92-L96 HydrophobicContact CG1-CD1 3.88Å; V92-L96 WeakPolarHBondContact O-CG 3.23Å; V92-L96 PolarHBondContact O-N 3.29Å; L93-L96 PolarHBondContact O-N 3.01Å; L96-H99 PolarHBondContact O-N 3.03Å; L96-R100 WeakPolarHBondContact O-CB 3.46Å; L96-R100 PolarHBondContact O-N 2.78Å
97	I	84.9	Confident	80.8	Confident	68 Å²	68	86.9 Å²	86.9	35%	0.349	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-41.9	177.9	-68.5	167	0	0	0	111	I71 L93 Q94 R100 K101	I71-I97 HydrophobicContact CD1-CG1 4.41Å; L93-I97 HydrophobicContact CD1-CD1 4.04Å; L93-I97 HydrophobicContact CD1-CG1 4.34Å; L93-I97 HydrophobicContact CG-CD1 3.86Å; L93-I97 WeakPolarHBondContact O-CB 3.38Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.29Å; L93-I97 PolarHBondContact O-N 3.4Å; Q94-I97 PolarHBondContact O-N 2.85Å; I97-R100 WeakPolarHBondContact O-CB 3.42Å; I97-R100 PolarHBondContact O-N 3.32Å; I97-K101 HydrophobicContact CG2-CD 4.41Å; I97-K101 WeakPolarHBondContact O-CG 3.23Å; I97-K101 PolarHBondContact O-N 2.89Å
98	H	83.7	Confident	78.9	Confident	130 Å²	130	82 Å²	82	60%	0.602	39%	0.39	S	S	*	.	H	α-helix	trans	-61.4	-46.9	175.5	-176	81.6	0	0	0	111.5	Q94 K95 R100 K101 E102	Q94-H98 WeakPolarHBondContact O-CB 3.46Å; Q94-H98 PolarHBondContact O-N 3.48Å; K95-H98 PolarHBondContact O-N 3.22Å; H98-R100 VanDerWaalsContact C-N 3.31Å; H98-R100 PolarHBondContact O-N 3.41Å; H98-K101 PolarHBondContact O-N 3.45Å; H98-E102 PolarHBondContact O-N 3.36Å
99	H	81.8	Confident	77.1	Confident	47 Å²	47	82.4 Å²	82.4	22%	0.218	41%	0.405	C	S	.	.	H	α-helix	trans	-66	-33.1	177.7	-161.2	50.7	0	0	0	112.5	K95 L96 E102 T103	K95-H99 WeakPolarHBondContact O-CB 3.33Å; K95-H99 PolarHBondContact O-N 3.09Å; L96-H99 PolarHBondContact O-N 3.03Å; H99-E102 IonicContact CE1-OE2 3.93Å; H99-E102 IonicContact ND1-OE2 2.7Å; H99-E102 PolarHBondContact ND1-OE2 3.45Å; H99-E102 PolarHBondContact O-N 2.87Å; H99-T103 WeakPolarHBondContact O-CB 3.45Å; H99-T103 WeakPolarHBondContact O-CG2 3.4Å; H99-T103 PolarHBondContact O-N 3.36Å; H99-T103 PolarHBondContact O-OG1 3.01Å
100	R	85.2	Confident	74.6	Confident	93 Å²	93	86.6 Å²	86.6	35%	0.351	44%	0.437	S	S	.	.	H	α-helix	trans	-60.8	-48.7	169.5	-156.9	-179.7	-174.3	-94.8	-0	112	L64 I67 D68 L96 I97 H98 T103 L104	L64-R100 HydrophobicContact CD2-CG 4.4Å; I67-R100 HydrophobicContact CG2-CB 3.82Å; I67-R100 HydrophobicContact CG2-CG 3.98Å; D68-R100 IonicContact OD1-CZ 3.42Å; D68-R100 IonicContact OD1-NE 3.32Å; D68-R100 PolarHBondContact OD1-NE 3.47Å; D68-R100 IonicContact OD1-NH2 3.98Å; D68-R100 PolarHBondContact OD1-NH2 2.93Å; D68-R100 VanDerWaalsContact OD1-NH2 3.08Å; D68-R100 IonicContact OD2-NH2 2.66Å; L96-R100 WeakPolarHBondContact O-CB 3.46Å; L96-R100 PolarHBondContact O-N 2.78Å; I97-R100 WeakPolarHBondContact O-CB 3.42Å; I97-R100 PolarHBondContact O-N 3.32Å; H98-R100 VanDerWaalsContact C-N 3.31Å; H98-R100 PolarHBondContact O-N 3.41Å; R100-T103 WeakPolarHBondContact CA-OG1 3.3Å; R100-T103 PolarHBondContact O-N 2.71Å; R100-T103 PolarHBondContact O-OG1 3.36Å; R100-L104 HydrophobicContact CG-CD1 4.2Å; R100-L104 WeakPolarHBondContact O-CB 3.48Å; R100-L104 VanDerWaalsContact O-CG 3.3Å; R100-L104 WeakPolarHBondContact O-CG 3.23Å; R100-L104 PolarHBondContact O-N 2.94Å
101	K	82.6	Confident	72.1	Confident	126 Å²	126	83.9 Å²	83.9	55%	0.548	45%	0.448	S	S	.	.	H	α-helix	trans	-60.1	-47.2	176.4	-72.1	179	179.7	-178.9	0	110.4	I97 H98 T103 L104 S105	I97-K101 HydrophobicContact CG2-CD 4.41Å; I97-K101 WeakPolarHBondContact O-CG 3.23Å; I97-K101 PolarHBondContact O-N 2.89Å; H98-K101 PolarHBondContact O-N 3.45Å; K101-T103 PolarHBondContact O-N 3.31Å; K101-L104 PolarHBondContact O-N 3.19Å; K101-S105 WeakPolarHBondContact O-CB 3.49Å; K101-S105 PolarHBondContact O-N 2.83Å; K101-S105 PolarHBondContact O-OG 3.44Å; K101-S105 VanDerWaalsContact O-OG 3.1Å
102	E	81.4	Confident	69.7	Low	71 Å²	71	88 Å²	88	33%	0.332	47%	0.473	S	S	.	.	H	α-helix	trans	-59.1	-46.7	177.7	-163.2	-153.7	157.4	0	0	112.9	H98 H99 L104 S105 R106	H98-E102 PolarHBondContact O-N 3.36Å; H99-E102 IonicContact CE1-OE2 3.93Å; H99-E102 IonicContact ND1-OE2 2.7Å; H99-E102 PolarHBondContact ND1-OE2 3.45Å; H99-E102 PolarHBondContact O-N 2.87Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.47Å; E102-S105 PolarHBondContact O-N 3.16Å; E102-R106 WeakPolarHBondContact O-CG 3.37Å; E102-R106 PolarHBondContact O-N 2.9Å; E102-R106 VanDerWaalsContact O-N 3.16Å; E102-R106 IonicContact OE1-CZ 3.51Å; E102-R106 IonicContact OE1-NE 2.61Å; E102-R106 PolarHBondContact OE1-NE 2.92Å; E102-R106 VanDerWaalsContact OE1-NE 3.09Å; E102-R106 IonicContact OE1-NH2 3.14Å; E102-R106 PolarHBondContact OE1-NH2 3.08Å
103	T	80.3	Confident	67.2	Low	20 Å²	20	92.8 Å²	92.8	12%	0.123	51%	0.507	C	S	.	.	H	α-helix	trans	-67.5	-30.5	178.6	47.1	0	0	0	0	113.1	V63 L64 I67 H99 R100 K101	V63-T103 HydrophobicContact CG1-CG2 4.16Å; L64-T103 WeakPolarHBondContact CD2-OG1 3.36Å; I67-T103 HydrophobicContact CD1-CG2 4.24Å; H99-T103 WeakPolarHBondContact O-CB 3.45Å; H99-T103 WeakPolarHBondContact O-CG2 3.4Å; H99-T103 PolarHBondContact O-N 3.36Å; H99-T103 PolarHBondContact O-OG1 3.01Å; R100-T103 WeakPolarHBondContact CA-OG1 3.3Å; R100-T103 PolarHBondContact O-N 2.71Å; R100-T103 PolarHBondContact O-OG1 3.36Å; K101-T103 PolarHBondContact O-N 3.31Å
104	L	78.6	Confident	64.7	Low	66 Å²	66	98 Å²	98	35%	0.346	54%	0.54	S	S	.	.	H	α-helix	trans	-77.3	-37.7	172.2	-69.8	170.1	0	0	0	112.7	L64 R100 K101 E102 R106 R107	L64-L104 HydrophobicContact CD1-CD2 4.01Å; L64-L104 HydrophobicContact CD2-CD2 3.99Å; L64-L104 HydrophobicContact CD2-CG 3.98Å; R100-L104 HydrophobicContact CG-CD1 4.2Å; R100-L104 WeakPolarHBondContact O-CB 3.48Å; R100-L104 VanDerWaalsContact O-CG 3.3Å; R100-L104 WeakPolarHBondContact O-CG 3.23Å; R100-L104 PolarHBondContact O-N 2.94Å; K101-L104 PolarHBondContact O-N 3.19Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.47Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 2.99Å; L104-R107 WeakPolarHBondContact O-CA 3.43Å; L104-R107 VanDerWaalsContact O-CB 3.23Å; L104-R107 WeakPolarHBondContact O-CB 3.43Å; L104-R107 PolarHBondContact O-N 3.26Å
105	S	74.6	Confident	62.2	Low	99 Å²	99	95.4 Å²	95.4	69%	0.692	54%	0.543	S	S	*	.	H	α-helix	trans	-69	-25.9	179.3	-66.6	0	0	0	0	113.4	K101 E102 R107	K101-S105 WeakPolarHBondContact O-CB 3.49Å; K101-S105 PolarHBondContact O-N 2.83Å; K101-S105 PolarHBondContact O-OG 3.44Å; K101-S105 VanDerWaalsContact O-OG 3.1Å; E102-S105 PolarHBondContact O-N 3.16Å; S105-R107 PolarHBondContact O-N 3.1Å
106	R	69.8	Low	59.6	Low	168 Å²	168	99 Å²	99	63%	0.634	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	-16.6	169.5	-71.6	171.4	-177.3	-83.1	-1.1	112.9	E102 L104 G108	E102-R106 WeakPolarHBondContact O-CG 3.37Å; E102-R106 PolarHBondContact O-N 2.9Å; E102-R106 VanDerWaalsContact O-N 3.16Å; E102-R106 IonicContact OE1-CZ 3.51Å; E102-R106 IonicContact OE1-NE 2.61Å; E102-R106 PolarHBondContact OE1-NE 2.92Å; E102-R106 VanDerWaalsContact OE1-NE 3.09Å; E102-R106 IonicContact OE1-NH2 3.14Å; E102-R106 PolarHBondContact OE1-NH2 3.08Å; L104-R106 VanDerWaalsContact C-N 3.3Å; L104-R106 PolarHBondContact O-N 2.99Å; R106-G108 VanDerWaalsContact C-N 3.34Å; R106-G108 PolarHBondContact O-N 3.4Å
107	R	64.6	Low	56.9	Low	191 Å²	191	107.5 Å²	107.5	72%	0.721	61%	0.612	S	S	*	*			trans	-94.3	41.6	-178.1	-159.9	-171.8	171.8	-148.1	-3.3	112.8	L104 S105	L104-R107 WeakPolarHBondContact O-CA 3.43Å; L104-R107 VanDerWaalsContact O-CB 3.23Å; L104-R107 WeakPolarHBondContact O-CB 3.43Å; L104-R107 PolarHBondContact O-N 3.26Å; S105-R107 PolarHBondContact O-N 3.1Å
108	G	40.2	Very low	54.3	Low	49 Å²	49	111 Å²	111	51%	0.505	64%	0.637	S	S	.	*			trans	-58.8	159	170.8	0	0	0	0	0	112.2	R106 S110	R106-G108 VanDerWaalsContact C-N 3.34Å; R106-G108 PolarHBondContact O-N 3.4Å; G108-S110 PolarHBondContact O-N 3.04Å
109	P	40.8	Very low	51.8	Low	144 Å²	144	110.4 Å²	110.4	94%	0.935	64%	0.644	S	S	*	*			trans	-71.4	104.7	-162	28.3	-35.5	0	0	0	112.8
110	S	29.2	Very low	49.1	Very low	116 Å²	116	113.1 Å²	113.1	81%	0.811	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-85.5	132.8	163.3	66.8	0	0	0	0	110.5	G108	G108-S110 PolarHBondContact O-N 3.04Å
111	A	30.2	Very low	46.3	Very low	97 Å²	97	114.4 Å²	114.4	80%	0.802	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-63	170.4	179.1	0	0	0	0	0	114.1
112	S	32.1	Very low	43.9	Very low	109 Å²	109	113.2 Å²	113.2	76%	0.762	70%	0.695	S	S	*	*	S	Bend	trans	-63	149.5	-176	49.7	0	0	0	0	116.2
113	S	32.2	Very low	41.3	Very low	113 Å²	113	116 Å²	116	79%	0.79	71%	0.712	S	S	*	*			trans	75.3	125.5	158.2	79.1	0	0	0	0	119
114	V	30.4	Very low	38.9	Very low	140 Å²	140	122.3 Å²	122.3	85%	0.848	74%	0.74	S	S	*	*				-144.3	137.2	115.8	172.7	0	0	0	0	107.3
115	A	33.8	Very low	36.5	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	76%	0.759	S	S	*	*			trans	-88.7	149.2	175.3	0	0	0	0	0	111.8
116	V	29.8	Very low	34.4	Very low	141 Å²	141	128.5 Å²	128.5	86%	0.855	76%	0.759	S	S	*	*			trans	-133.4	126.7	164.2	179.1	0	0	0	0	109
117	M	29.7	Very low	32.3	Very low	179 Å²	179	127.4 Å²	127.4	88%	0.882	77%	0.766	S	S	*	*			trans	-87.7	153	178.8	-76.3	-169.9	155	0	0	112.9
118	T	28.3	Very low	30.6	Very low	140 Å²	140	122.7 Å²	122.7	86%	0.859	77%	0.768	S	S	*	*			trans	-142	157.9	146.3	39.9	0	0	0	0	109.8
119	P	32.2	Very low	30	Very low	118 Å²	118	124.9 Å²	124.9	77%	0.766	78%	0.781	S	S	*	*			trans	-115.4	160.6	-144	40.7	-34.1	0	0	0	117.9
120	S	25.1	Very low	29.4	Very low	105 Å²	105	124.8 Å²	124.8	73%	0.734	78%	0.778	S	S	*	*			trans	58.3	125	144	-156.8	0	0	0	0	121.6
121	T	27.1	Very low	29.4	Very low	119 Å²	119	123.2 Å²	123.2	73%	0.73	77%	0.771	S	S	*	*				-178.9	138	96.4	36	0	0	0	0	113.1
122	S	30.7	Very low	29.3	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	78%	0.775	S	S	*	*			trans	56.7	142.5	153.3	58.7	0	0	0	0	120.8
123	D	28.2	Very low	29	Very low	131 Å²	131	132.9 Å²	132.9	70%	0.701	78%	0.778	S	S	*	*			cis	-167.5	169.1	-11.8	-118.4	-53.1	0	0	0	111.9
124	H	29.7	Very low	29.5	Very low	151 Å²	151	132.1 Å²	132.1	70%	0.699	77%	0.77	S	S	*	*			trans	72.4	112.5	162.6	-60.1	-32.9	0	0	0	119.3
125	H	27.5	Very low	29.3	Very low	163 Å²	163	133.2 Å²	133.2	76%	0.755	77%	0.771	S	S	*	*				70.8	130.3	90.4	-89	-133.2	0	0	0	113.8
126	L	31.6	Very low	28.9	Very low	132 Å²	132	132.5 Å²	132.5	69%	0.691	77%	0.773	S	S	*	*			cis	-156	170.4	8.4	-112.2	168	0	0	0	112.8
127	D	25.6	Very low	28.7	Very low	145 Å²	145	132.3 Å²	132.3	78%	0.775	77%	0.772	S	S	*	*			trans	-46.1	150	178.1	-62.5	-61	0	0	0	119.6
128	A	27.9	Very low	28.5	Very low	93 Å²	93	129.3 Å²	129.3	77%	0.769	77%	0.767	S	S	*	*				166.2	97.3	113.4	0	0	0	0	0	109.9
129	A	26.9	Very low	28.3	Very low	94 Å²	94	134.3 Å²	134.3	78%	0.777	77%	0.771	S	S	*	*				57.5	110.9	85.2	0	0	0	0	0	115.5
130	V	29.5	Very low	27.9	Very low	143 Å²	143	133.2 Å²	133.2	87%	0.867	77%	0.771	S	S	*	*				-176.9	120.5	126.4	151.5	0	0	0	0	112.4
131	A	29.4	Very low	27.8	Very low	82 Å²	82	131.5 Å²	131.5	68%	0.678	77%	0.77	S	S	*	*			trans	37.4	125.8	147.2	0	0	0	0	0	125.9
132	R	28.2	Very low	27.8	Very low	235 Å²	235	135.4 Å²	135.4	89%	0.887	78%	0.777	S	S	*	*				49.6	114.2	125.2	-65.8	178.6	169.9	159.8	-3.5	121.9
133	Q	24.9	Very low	27.5	Very low	175 Å²	175	138.9 Å²	138.9	82%	0.818	78%	0.782	S	S	*	*				36.9	153.7	108.6	-64.9	-81.9	-17.7	0	0	120.3
134	P	42.4	Very low	27.4	Very low	97 Å²	97	143.4 Å²	143.4	63%	0.63	79%	0.79	S	S	*	*			cis	-140	-178.2	-11.1	40.2	-21	0	0	0	116.3
135	N	26.2	Very low	27.3	Very low	162 Å²	162	144.7 Å²	144.7	87%	0.866	80%	0.796	S	S	*	*			trans	51.1	130.5	151.4	-67.6	-8.3	0	0	0	123
136	G	25.8	Very low	27.1	Very low	77 Å²	77	144.6 Å²	144.6	79%	0.794	80%	0.796	S	S	*	*			trans	169.8	77.5	163.3	0	0	0	0	0	119.6
137	V	26.8	Very low	26.8	Very low	136 Å²	136	143.1 Å²	143.1	82%	0.824	80%	0.796	S	S	*	*			trans	17	119.9	147.9	-171.5	0	0	0	0	121.6
138	C	25	Very low	26.9	Very low	117 Å²	117	144.4 Å²	144.4	79%	0.791	80%	0.802	S	S	*	*			trans	35.4	120.2	145.4	-51.8	0	0	0	0	123.2
139	R	24.1	Very low	27.1	Very low	245 Å²	245	145.1 Å²	145.1	93%	0.925	80%	0.799	S	S	*	*				-177	145.7	107.5	-120.5	-179.8	171.5	175.3	-3.1	115
140	A	23.4	Very low	26.9	Very low	94 Å²	94	146.1 Å²	146.1	78%	0.777	80%	0.8	S	S	*	*			trans	51.5	122.1	143.3	0	0	0	0	0	122.6
141	G	23.9	Very low	26.9	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	79%	0.788	S	S	*	*				102.1	158.2	120	0	0	0	0	0	119.4
142	F	26.4	Very low	26.8	Very low	202 Å²	202	146.7 Å²	146.7	89%	0.886	79%	0.789	S	S	*	*			trans	84.1	100.1	169.4	-63.9	-73.9	0	0	0	119.7
143	E	25.2	Very low	26.7	Very low	173 Å²	173	143.8 Å²	143.8	81%	0.808	79%	0.785	S	S	*	*			trans	-27.8	149	132.8	-52.6	172.1	121.9	0	0	114.2
144	R	26.2	Very low	26.9	Very low	227 Å²	227	143.2 Å²	143.2	86%	0.857	79%	0.787	S	S	*	*			trans	-136.5	118.2	154.9	-112.3	-173.5	-174.2	-179.9	3.4	111.6
145	Q	25.6	Very low	26.1	Very low	177 Å²	177	145.1 Å²	145.1	83%	0.827	80%	0.796	S	S	*	*			trans	-73.3	151.2	163.6	-62.4	174.6	-11.3	0	0	110.5
146	H	24.4	Very low	26.2	Very low	162 Å²	162	141.6 Å²	141.6	75%	0.75	79%	0.79	S	S	*	*			trans	-142.4	139.2	150.4	-80.1	-74.1	0	0	0	106.5
147	S	25.1	Very low	26.3	Very low	100 Å²	100	145.9 Å²	145.9	70%	0.699	79%	0.794	S	S	*	*			cis	179	127.6	-11.1	-87	0	0	0	0	103.5
148	L	28.8	Very low	26.2	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	79%	0.789	S	S	*	*			trans	-106.4	154.5	165.6	-72.5	172.1	0	0	0	109.6
149	P	31.3	Very low	26.2	Very low	109 Å²	109	141 Å²	141	71%	0.708	79%	0.791	S	S	*	*			trans	-109.4	122.8	150.1	31.2	-19.6	0	0	0	110
150	S	23.5	Very low	26.4	Very low	115 Å²	115	136.7 Å²	136.7	80%	0.804	79%	0.786	S	S	*	*				68.4	137.4	91.6	-60.7	0	0	0	0	114.1
151	S	29.2	Very low	26.6	Very low	86 Å²	86	143.5 Å²	143.5	60%	0.601	79%	0.793	S	S	*	*			cis	-154.2	148.2	18.1	-124.4	0	0	0	0	114.6
152	E	26.2	Very low	26.6	Very low	150 Å²	150	148 Å²	148	70%	0.701	80%	0.796	S	S	*	*			trans	41.1	126.4	137.4	-55.5	156.8	135.8	0	0	122.4
153	H	26.7	Very low	26.6	Very low	175 Å²	175	145.3 Å²	145.3	81%	0.81	79%	0.789	S	S	*	*				-173.3	171.9	93.9	-94.6	86	0	0	0	112.6
154	L	28.7	Very low	27.1	Very low	162 Å²	162	142.7 Å²	142.7	85%	0.848	79%	0.787	S	S	*	*			trans	-109.9	170.8	-157.2	-72.2	154.4	0	0	0	115.8
155	V	26	Very low	27.2	Very low	138 Å²	138	139.5 Å²	139.5	84%	0.836	79%	0.786	S	S	*	*			trans	107.8	129.7	148.4	-170.3	0	0	0	0	118.9
156	A	27.3	Very low	27.7	Very low	88 Å²	88	136.6 Å²	136.6	73%	0.727	78%	0.782	S	S	*	*			trans	-31.3	162.2	167.8	0	0	0	0	0	118.1
157	D	28.3	Very low	27.8	Very low	166 Å²	166	134 Å²	134	89%	0.888	78%	0.782	S	S	*	*				-170.3	179.1	53.5	-167.1	6.2	0	0	0	110.6
158	G	25.3	Very low	27.9	Very low	69 Å²	69	134.4 Å²	134.4	71%	0.711	79%	0.785	S	S	*	*			trans	-88	177.5	-169.8	0	0	0	0	0	117.1
159	G	24.6	Very low	27.9	Very low	81 Å²	81	135 Å²	135	84%	0.835	78%	0.783	S	S	*	*			trans	145.1	116.9	164.6	0	0	0	0	0	117.1
160	L	27.7	Very low	27.8	Very low	155 Å²	155	136.9 Å²	136.9	81%	0.812	79%	0.786	S	S	*	*			trans	-39.2	149.6	168.3	-63.4	149.1	0	0	0	116.4
161	Y	28.7	Very low	28.1	Very low	237 Å²	237	137.5 Å²	137.5	93%	0.929	79%	0.787	S	S	*	*				177.2	176.7	120.5	-90.6	-60.8	0	0	0	112
162	Q	23.6	Very low	28.2	Very low	164 Å²	164	138.2 Å²	138.2	77%	0.766	79%	0.79	S	S	*	*			trans	-138.8	123.5	-147.2	177.1	179	6.7	0	0	114.2
163	I	27.2	Very low	28.4	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	79%	0.786	S	S	*	*			trans	67.6	158.3	155.7	-63.8	172.4	0	0	0	115.6
164	P	34.4	Very low	28.7	Very low	118 Å²	118	135.3 Å²	135.3	77%	0.766	79%	0.788	S	S	*	*			cis	-126.8	179.2	-2.5	23	2.4	0	0	0	118.1
165	L	29.3	Very low	28.7	Very low	159 Å²	159	137.4 Å²	137.4	83%	0.832	78%	0.784	S	S	*	*			trans	-45	160	160.2	-79.1	158.2	0	0	0	115.9
166	P	35.8	Very low	28.9	Very low	116 Å²	116	143 Å²	143	75%	0.753	79%	0.79	S	S	*	*				-158.3	158.8	61	42.3	-19.9	0	0	0	122.6
167	S	26	Very low	29.1	Very low	107 Å²	107	143.4 Å²	143.4	75%	0.748	79%	0.794	S	S	*	*			trans	42.2	115.1	137.1	-53.9	0	0	0	0	124.9
168	S	27.4	Very low	29.2	Very low	109 Å²	109	139.9 Å²	139.9	76%	0.762	79%	0.788	S	S	*	*				169.3	154.4	128.1	-78.5	0	0	0	0	110.6
169	Q	28.4	Very low	29.5	Very low	185 Å²	185	142.9 Å²	142.9	86%	0.864	80%	0.795	S	S	*	*			cis	-155.3	167.8	-19.5	-107.3	-179.8	20.1	0	0	107.8
170	I	29.4	Very low	29.9	Very low	149 Å²	149	143.6 Å²	143.6	76%	0.764	79%	0.793	S	S	*	*			trans	-113.5	147.1	-163.2	-64.5	155.4	0	0	0	111.4	P172	I170-P172 HydrophobicContact CG2-CG 4.27Å
171	P	29.3	Very low	30.1	Very low	128 Å²	128	142.8 Å²	142.8	83%	0.831	80%	0.795	S	S	*	*				-145.2	145.7	116	31.9	-14.3	0	0	0	115.9
172	P	32.6	Very low	30.7	Very low	101 Å²	101	137.1 Å²	137.1	66%	0.656	79%	0.787	S	S	*	*			trans	-119.9	-173.4	177.2	41.1	-26.4	0	0	0	114.1	I170	I170-P172 HydrophobicContact CG2-CG 4.27Å
173	Q	29.5	Very low	31.4	Very low	134 Å²	134	134.9 Å²	134.9	63%	0.626	79%	0.787	S	S	*	*			trans	82.2	149.9	162.2	-80.2	-161.2	53.4	0	0	117.5
174	P	32.5	Very low	31.9	Very low	129 Å²	129	133.2 Å²	133.2	84%	0.838	79%	0.785	S	S	*	*			cis	-123.8	162	46.4	39.5	-25.8	0	0	0	119.3
175	R	29.5	Very low	32.2	Very low	206 Å²	206	133.8 Å²	133.8	78%	0.777	79%	0.789	S	S	*	*			trans	-82.3	165.4	177.5	-60.8	166.2	-179.9	-169	-3.2	112.9
176	R	29.5	Very low	32.4	Very low	255 Å²	255	133 Å²	133	96%	0.962	79%	0.79	S	S	*	*			trans	-123	142.4	146.8	-141.1	176.9	-161.5	-167.9	5.2	109.9
177	A	32.2	Very low	32.2	Very low	97 Å²	97	137 Å²	137	80%	0.802	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-95.3	160.8	-162.9	0	0	0	0	0	114.4
178	A	30	Very low	32.3	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-79.5	153.6	169.4	0	0	0	0	0	112
179	P	32.7	Very low	32.5	Very low	132 Å²	132	148.2 Å²	148.2	86%	0.857	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.1	146.6	168.9	-15.2	31	0	0	0	112.3
180	A	32.4	Very low	32.4	Very low	96 Å²	96	148 Å²	148	79%	0.793	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-84.9	157.3	-177.9	0	0	0	0	0	113.8
181	T	32	Very low	32.5	Very low	139 Å²	139	151.1 Å²	151.1	85%	0.853	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.4	140.3	170	36.6	0	0	0	0	112.6
182	P	40.8	Very low	32.5	Very low	117 Å²	117	154 Å²	154	76%	0.76	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-86.1	158.3	161	32.8	-30.6	0	0	0	112.1
183	P	38.5	Very low	32.3	Very low	118 Å²	118	153 Å²	153	77%	0.766	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-85.8	165.8	-165.7	34.4	-37.8	0	0	0	115.3
184	P	38.2	Very low	32.4	Very low	110 Å²	110	153.4 Å²	153.4	71%	0.714	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.6	148.4	179.2	31.5	-36.5	0	0	0	113.5
185	P	40	Very low	32.3	Very low	131 Å²	131	155.5 Å²	155.5	85%	0.851	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-73.8	135.4	172.8	29.9	-33.3	0	0	0	112.1
186	V	33.3	Very low	32.3	Very low	142 Å²	142	149.8 Å²	149.8	86%	0.861	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.9	146.8	-177.1	175.2	0	0	0	0	112
187	K	31.5	Very low	32.3	Very low	201 Å²	201	143.6 Å²	143.6	87%	0.874	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-55.5	137.9	-179.5	-62.8	174.4	177.2	177.7	0	113.9
188	R	29	Very low	32.1	Very low	241 Å²	241	142.3 Å²	142.3	91%	0.909	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-93.2	154.7	153.5	-164.3	171.8	177.9	176.5	-1.6	109.6
189	R	30.8	Very low	32.1	Very low	209 Å²	209	144.2 Å²	144.2	79%	0.789	81%	0.812	S	S	*	*			trans	-136	123.6	-160.2	179.9	-165	-166.8	-171.3	8.1	112.3
190	E	27.6	Very low	31.9	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	81%	0.811	S	S	*	*			trans	-142.4	124.1	159.6	-66.6	174.8	177.1	0	0	103.9
191	R	31	Very low	31.7	Very low	215 Å²	215	140.7 Å²	140.7	81%	0.811	81%	0.809	S	S	*	*			cis	87.5	78.7	15.4	-154.5	-167	-168.9	-174.6	3.5	116.9
192	E	28.6	Very low	31.8	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	81%	0.806	S	S	*	*			trans	-148.1	126.4	137.5	-97.7	156.5	-162.1	0	0	105.1
193	A	29.8	Very low	31.3	Very low	80 Å²	80	143 Å²	143	66%	0.661	80%	0.804	S	S	*	*				68.7	127.6	59	0	0	0	0	0	110.8
194	L	29.9	Very low	30.8	Very low	142 Å²	142	144.2 Å²	144.2	74%	0.743	81%	0.809	S	S	*	*			cis	-144.5	148.4	22.7	-80.9	98.9	0	0	0	111.5
195	M	31.2	Very low	30.6	Very low	174 Å²	174	149.3 Å²	149.3	86%	0.857	81%	0.814	S	S	*	*				60.2	144.6	110.1	-57.1	-160.4	-170.3	0	0	117.9
196	A	29.5	Very low	30.9	Very low	86 Å²	86	148.6 Å²	148.6	71%	0.711	81%	0.809	S	S	*	*			cis	-160	177.6	-2.1	0	0	0	0	0	111.9
197	S	30.6	Very low	30.8	Very low	125 Å²	125	146.8 Å²	146.8	87%	0.874	80%	0.803	S	S	*	*			trans	-15.9	153.1	157.8	-45	0	0	0	0	118.4
198	G	26.7	Very low	30.6	Very low	70 Å²	70	141.2 Å²	141.2	72%	0.722	80%	0.803	S	S	*	*			cis	142.9	-178.1	6.5	0	0	0	0	0	111.5
199	S	30.6	Very low	30.5	Very low	132 Å²	132	133 Å²	133	92%	0.923	79%	0.793	S	S	*	*			trans	80.5	127.8	167	-161.5	0	0	0	0	120.8
200	G	27.6	Very low	30.4	Very low	80 Å²	80	130.6 Å²	130.6	83%	0.825	80%	0.796	S	S	*	*			trans	78.6	146.7	149.7	0	0	0	0	0	118.4
201	G	28.8	Very low	30.5	Very low	73 Å²	73	127 Å²	127	75%	0.753	79%	0.79	S	S	*	*			cis	161.7	131.4	-7.7	0	0	0	0	0	113.7
202	H	33.1	Very low	30.4	Very low	174 Å²	174	123 Å²	123	81%	0.806	79%	0.79	S	S	*	*			trans	64.2	131.7	160.5	-86	-66	0	0	0	124
203	N	30.3	Very low	30.4	Very low	131 Å²	131	119 Å²	119	70%	0.701	78%	0.783	S	S	*	*			trans	57.8	123.6	140.6	-57.4	-6.1	0	0	0	119.8
204	T	29.6	Very low	30.4	Very low	144 Å²	144	121.4 Å²	121.4	88%	0.883	79%	0.794	S	S	*	*				-168.9	160.5	72.2	29	0	0	0	0	113.5
205	R	33.9	Very low	30.2	Very low	217 Å²	217	118.5 Å²	118.5	82%	0.819	80%	0.799	S	S	*	*			trans	-127.7	152	161.8	-148.6	-168	152.7	-174.5	-6.6	105.8
206	P	45	Very low	30.1	Very low	116 Å²	116	115.5 Å²	115.5	75%	0.753	80%	0.795	S	S	*	*				-149.5	158.1	83.5	36.5	-17.1	0	0	0	117.4
207	S	31.5	Very low	30.1	Very low	104 Å²	104	117 Å²	117	73%	0.727	80%	0.8	S	S	*	*			trans	48	140.9	142.9	-61	0	0	0	0	126.2
208	G	28.1	Very low	30.1	Very low	84 Å²	84	117.2 Å²	117.2	87%	0.866	80%	0.796	S	S	*	*			trans	116.3	126.3	166.6	0	0	0	0	0	112
209	G	26.6	Very low	30	Very low	69 Å²	69	119.7 Å²	119.7	71%	0.711	80%	0.802	S	S	*	*			cis	166.1	130.5	-6.9	0	0	0	0	0	110.4
210	N	27.9	Very low	30	Very low	157 Å²	157	118.2 Å²	118.2	84%	0.84	79%	0.792	S	S	*	*			trans	63.9	110.7	168.4	-66.5	13.6	0	0	0	121.4
211	S	30.1	Very low	30	Very low	105 Å²	105	121.2 Å²	121.2	73%	0.734	79%	0.794	S	S	*	*				74.4	152.5	115.5	-51.1	0	0	0	0	124
212	V	29.4	Very low	30.1	Very low	132 Å²	132	122 Å²	122	80%	0.8	79%	0.788	S	S	*	*			trans	93.2	99.6	156.8	-161.3	0	0	0	0	118.8
213	S	28.5	Very low	30.1	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	79%	0.794	S	S	*	*			trans	44.1	119.2	134.2	-46.8	0	0	0	0	123.3
214	S	29.8	Very low	30	Very low	129 Å²	129	122.7 Å²	122.7	90%	0.902	80%	0.797	S	S	*	*				25	128.3	124.3	-48.5	0	0	0	0	121
215	G	25.8	Very low	30	Very low	81 Å²	81	122 Å²	122	84%	0.835	79%	0.793	S	S	*	*			trans	-164.1	61.3	167.5	0	0	0	0	0	112.5
216	S	28.8	Very low	29.7	Very low	111 Å²	111	119.3 Å²	119.3	78%	0.776	79%	0.794	S	S	*	*			trans	-84	108.7	176.4	52.4	0	0	0	0	111.3	V218	S216-V218 PolarHBondContact O-N 3.44Å
217	S	29.3	Very low	28.8	Very low	117 Å²	117	121.5 Å²	121.5	82%	0.818	79%	0.788	S	S	*	*			trans	-75.2	109.7	172.4	53.1	0	0	0	0	111
218	V	29.9	Very low	28.7	Very low	130 Å²	130	123.2 Å²	123.2	79%	0.788	80%	0.795	S	S	*	*			trans	-77.6	140.3	170.1	-73.2	0	0	0	0	111.1	S216	S216-V218 PolarHBondContact O-N 3.44Å
219	S	26.3	Very low	28.5	Very low	122 Å²	122	123 Å²	123	85%	0.853	79%	0.792	S	S	*	*			trans	-115.2	102.8	169.6	-65.9	0	0	0	0	108.5
220	S	29.5	Very low	28.6	Very low	101 Å²	101	125.2 Å²	125.2	71%	0.706	80%	0.797	S	S	*	*			trans	-109.6	106.8	176.7	54.5	0	0	0	0	110.3	S222	S220-S222 PolarHBondContact O-N 3.13Å
221	T	27.8	Very low	28.6	Very low	143 Å²	143	123.6 Å²	123.6	88%	0.877	80%	0.798	S	S	*	*			trans	-90	93.3	168.6	50	0	0	0	0	109.5
222	S	30.9	Very low	29.1	Very low	89 Å²	89	124.2 Å²	124.2	62%	0.622	80%	0.799	S	S	*	*			trans	-78.9	140.4	171.8	-58.5	0	0	0	0	111.2	S220	S220-S222 PolarHBondContact O-N 3.13Å
223	L	33.3	Very low	28.9	Very low	177 Å²	177	124 Å²	124	93%	0.927	80%	0.804	S	S	*	*			trans	-99.3	89.2	167.2	-79.1	168.6	0	0	0	108.8
224	D	27.5	Very low	28.9	Very low	143 Å²	143	127.9 Å²	127.9	77%	0.765	81%	0.81	S	S	*	*			trans	-106.5	108.9	173.5	-78.7	-57.1	0	0	0	110.6
225	T	29.6	Very low	29.3	Very low	129 Å²	129	127.6 Å²	127.6	79%	0.791	81%	0.805	S	S	*	*			trans	-144.9	66.4	169.4	-44.7	0	0	0	0	112
226	L	27.3	Very low	29.2	Very low	162 Å²	162	127.4 Å²	127.4	85%	0.848	80%	0.803	S	S	*	*	S	Bend	trans	-146.6	116.9	157.1	-77.6	-175	0	0	0	112.1
227	Y	27.4	Very low	29	Very low	162 Å²	162	127.4 Å²	127.4	64%	0.635	80%	0.803	S	S	*	*			trans	54.6	113.5	159.1	-88.3	-88.7	0	0	0	121.8	E329	Y227-E329 WeakPolarHBondContact OH-CG 3.46Å; Y227-E329 PolarHBondContact OH-OE1 2.95Å
228	T	28.4	Very low	28.7	Very low	140 Å²	140	127.1 Å²	127.1	86%	0.859	80%	0.801	S	S	*	*			trans	-130.6	128.1	141.3	47.1	0	0	0	0	110.4
229	G	24.9	Very low	28.5	Very low	78 Å²	78	126.9 Å²	126.9	80%	0.804	80%	0.804	S	S	*	*			trans	-98.7	143	170.2	0	0	0	0	0	110.7
230	S	28.8	Very low	28.5	Very low	117 Å²	117	126 Å²	126	82%	0.818	80%	0.798	S	S	*	*			trans	-105.8	152.9	-171.5	-60	0	0	0	0	113.5
231	S	28.4	Very low	28.6	Very low	122 Å²	122	127.2 Å²	127.2	85%	0.853	80%	0.803	S	S	*	*			trans	-158.7	159.3	159.7	-89.7	0	0	0	0	111
232	P	38.8	Very low	28.7	Very low	118 Å²	118	126.8 Å²	126.8	77%	0.766	80%	0.801	S	S	*	*				-112	164.2	-123.9	40.3	-38.6	0	0	0	116.7
233	S	25.1	Very low	28.9	Very low	128 Å²	128	128.1 Å²	128.1	90%	0.895	81%	0.807	S	S	*	*			trans	-159.6	136.8	155.1	-73.7	0	0	0	0	111.1
234	E	28.7	Very low	28.9	Very low	186 Å²	186	125.6 Å²	125.6	87%	0.869	80%	0.802	S	S	*	*			trans	-98.3	-176.4	176.4	-68.8	-163.7	136.5	0	0	112.3
235	P	38.7	Very low	29.2	Very low	123 Å²	123	124.7 Å²	124.7	80%	0.799	80%	0.803	S	S	*	*				-127.9	167.7	-50.7	33.4	-18.4	0	0	0	113
236	G	23.8	Very low	29.5	Very low	77 Å²	77	124.9 Å²	124.9	79%	0.794	80%	0.804	S	S	*	*			trans	-167.2	84.8	178.4	0	0	0	0	0	119.1
237	S	25.1	Very low	29.7	Very low	111 Å²	111	122.9 Å²	122.9	78%	0.776	80%	0.801	S	S	*	*			trans	27.3	126.2	150.3	-159.4	0	0	0	0	124.5
238	S	23.2	Very low	29.6	Very low	111 Å²	111	126.6 Å²	126.6	78%	0.776	81%	0.814	S	S	*	*			trans	72.2	149.6	152.1	79.3	0	0	0	0	118.6
239	C	25.8	Very low	29.5	Very low	125 Å²	125	131.9 Å²	131.9	85%	0.845	82%	0.818	S	S	*	*			cis	-148.1	160.9	9.4	-138.2	0	0	0	0	111.4
240	S	26.3	Very low	29.5	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	81%	0.81	S	S	*	*			trans	-97	169.6	-178.6	56.9	0	0	0	0	113.9
241	P	30.7	Very low	29.3	Very low	127 Å²	127	131.2 Å²	131.2	83%	0.825	81%	0.806	S	S	*	*				-140.1	158.9	121.1	36.8	-24.4	0	0	0	115.7
242	T	30	Very low	29.3	Very low	134 Å²	134	133.3 Å²	133.3	82%	0.822	80%	0.802	S	S	*	*			trans	-89.6	164	-177	15.4	0	0	0	0	114.5
243	P	35.9	Very low	28.7	Very low	117 Å²	117	133.5 Å²	133.5	76%	0.76	80%	0.801	S	S	*	*			trans	-98.3	157.7	-177.8	38.2	-34	0	0	0	114.7
244	P	32.3	Very low	28.8	Very low	124 Å²	124	133.5 Å²	133.5	81%	0.805	80%	0.796	S	S	*	*			trans	-111.3	174.6	168.4	39.5	-29.8	0	0	0	113.6
245	P	34.1	Very low	28.7	Very low	123 Å²	123	130.7 Å²	130.7	80%	0.799	79%	0.791	S	S	*	*			trans	-123.5	-178.3	-130.1	43.7	-35.5	0	0	0	118.1
246	V	36.5	Very low	28.1	Very low	134 Å²	134	129.8 Å²	129.8	81%	0.812	79%	0.787	S	S	*	*			trans	-75.9	141.9	175.1	-175.2	0	0	0	0	113.2
247	P	30.2	Very low	28.3	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	79%	0.791	S	S	*	*			trans	-114.5	166.6	158.1	23	-4.7	0	0	0	114.4
248	R	26.7	Very low	28.3	Very low	239 Å²	239	134.4 Å²	134.4	90%	0.902	79%	0.794	S	S	*	*			trans	-113.9	151.9	-160.1	-60.4	168.8	165.9	173.2	-5.9	114.3
249	R	25.9	Very low	28.6	Very low	251 Å²	251	138 Å²	138	95%	0.947	80%	0.798	S	S	*	*			trans	67	126.8	134.2	-166	-173.9	-146.2	-171.5	7	121.4
250	G	24.8	Very low	29.1	Very low	62 Å²	62	137 Å²	137	64%	0.639	79%	0.791	S	S	*	*			trans	105.6	148.4	156.4	0	0	0	0	0	114.8
251	T	24.3	Very low	30.2	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	79%	0.792	S	S	*	*			cis	-167.8	162.5	-9.1	-6.2	0	0	0	0	108.9
252	H	27.4	Very low	30.9	Very low	166 Å²	166	136.6 Å²	136.6	77%	0.769	79%	0.785	S	S	*	*			trans	70.4	136.5	177.9	-41.3	-73.5	0	0	0	114.3
253	T	26.6	Very low	30.7	Very low	122 Å²	122	135.2 Å²	135.2	75%	0.748	78%	0.781	S	S	*	*			cis	-154.5	-178.9	-5.6	3.9	0	0	0	0	107
254	T	27.2	Very low	30.3	Very low	129 Å²	129	140 Å²	140	79%	0.791	79%	0.79	S	S	*	*			cis	-142.2	-130.8	24.9	-32.8	0	0	0	0	112.4
255	V	26.8	Very low	30.1	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	79%	0.787	S	S	*	*			trans	-144.5	133	-162.4	173.2	0	0	0	0	112.7
256	S	27.5	Very low	29.8	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	79%	0.791	S	S	*	*			trans	155.8	138.3	137.1	-72.5	0	0	0	0	110.1
257	Q	27.7	Very low	29.6	Very low	184 Å²	184	136.4 Å²	136.4	86%	0.86	79%	0.787	S	S	*	*			cis	-161.6	136.1	-8.4	-105.6	-177.5	-7.3	0	0	107.1
258	A	25.2	Very low	30.2	Very low	102 Å²	102	136.4 Å²	136.4	84%	0.843	79%	0.787	S	S	*	*			trans	177.1	137.3	150.4	0	0	0	0	0	112.5
259	Q	28.7	Very low	30.2	Very low	185 Å²	185	133.6 Å²	133.6	86%	0.864	78%	0.784	S	S	*	*			trans	-162.1	161.3	173.2	-98.5	-159.6	-39.1	0	0	108.7
260	P	37.3	Very low	31.6	Very low	106 Å²	106	126.6 Å²	126.6	69%	0.688	77%	0.772	S	S	*	*			cis	-137.1	-136.2	-41.1	43.5	-23	0	0	0	111.7
261	P	47.4	Very low	32.8	Very low	116 Å²	116	129.9 Å²	129.9	75%	0.753	78%	0.781	S	S	*	*			trans	-122.4	-143.9	-141.7	35.8	-7.5	0	0	0	111.4
262	P	45.3	Very low	33.1	Very low	105 Å²	105	128.4 Å²	128.4	68%	0.682	78%	0.782	S	S	*	*			cis	-142.9	169.1	-8.2	43.4	-24.3	0	0	0	119.2
263	S	27.8	Very low	33.2	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	79%	0.785	S	S	*	*			trans	48.2	132.7	141.4	64.8	0	0	0	0	124.1
264	K	27.4	Very low	33.3	Very low	218 Å²	218	132.1 Å²	132.1	95%	0.948	79%	0.791	S	S	*	*				-167.1	171.9	128.1	-112.5	173.5	-176.7	-179.3	0	113.3
265	A	27.8	Very low	33.2	Very low	89 Å²	89	133.9 Å²	133.9	74%	0.736	79%	0.79	S	S	*	*			trans	-133.3	-173	-163.3	0	0	0	0	0	113.9
266	S	28	Very low	33.3	Very low	126 Å²	126	134.7 Å²	134.7	88%	0.881	79%	0.789	S	S	*	*			trans	81.3	141.5	160	64.3	0	0	0	0	120.6
267	A	32	Very low	33.2	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	79%	0.789	S	S	*	*			trans	-129.9	159.3	171.8	0	0	0	0	0	109.7
268	P	42.3	Very low	33.1	Very low	119 Å²	119	130.3 Å²	130.3	77%	0.773	79%	0.791	S	S	*	*			trans	-140.1	167.3	153.3	35.8	-20.8	0	0	0	113.4
269	E	27.3	Very low	33.2	Very low	180 Å²	180	129.1 Å²	129.1	84%	0.841	79%	0.789	S	S	*	*			cis	-168.7	-178.1	-33.3	-117.2	-178.9	90.8	0	0	108.6
270	P	55.5	Low	33.1	Very low	105 Å²	105	126.8 Å²	126.8	68%	0.682	79%	0.787	S	S	*	*			trans	-87.8	-178.5	-163.8	40.7	-40.9	0	0	0	114.9
271	P	49.5	Very low	32.7	Very low	130 Å²	130	127.9 Å²	127.9	84%	0.844	79%	0.792	S	S	*	*				-141	-159.5	93.3	41.3	-26.5	0	0	0	114
272	A	30.8	Very low	31.9	Very low	89 Å²	89	127.5 Å²	127.5	74%	0.736	79%	0.792	S	S	*	*			trans	-148.4	170.1	-179.7	0	0	0	0	0	111.1
273	E	28.6	Very low	31.2	Very low	181 Å²	181	127.2 Å²	127.2	85%	0.846	80%	0.798	S	S	*	*			trans	174.1	161.1	133.4	-99.3	169.5	-163.5	0	0	115.4
274	E	29	Very low	31.4	Very low	185 Å²	185	127.2 Å²	127.2	86%	0.864	80%	0.798	S	S	*	*			trans	85.3	163.9	150	-87.6	-174.9	170.1	0	0	125.5
275	E	26.4	Very low	31.5	Very low	165 Å²	165	124.3 Å²	124.3	77%	0.771	79%	0.793	S	S	*	*			trans	-113.7	176.1	-148.8	-69.6	-166.8	114	0	0	116
276	L	26.9	Very low	31.6	Very low	144 Å²	144	127 Å²	127	75%	0.754	80%	0.796	S	S	*	*			trans	72.4	119.2	140.6	-81.5	161.1	0	0	0	122.2
277	A	26.1	Very low	32	Very low	87 Å²	87	127.2 Å²	127.2	72%	0.719	79%	0.786	S	S	*	*				80.4	125.1	125.3	0	0	0	0	0	123.4
278	A	25.1	Very low	32	Very low	109 Å²	109	130.7 Å²	130.7	90%	0.901	79%	0.787	S	S	*	*			trans	67.3	126.1	137.1	0	0	0	0	0	121.3
279	G	28.2	Very low	31.4	Very low	77 Å²	77	130 Å²	130	79%	0.794	79%	0.791	S	S	*	*			trans	-177.7	70.9	174.8	0	0	0	0	0	115.1
280	T	27.1	Very low	31.6	Very low	136 Å²	136	129.4 Å²	129.4	83%	0.834	79%	0.793	S	S	*	*			trans	-40.7	145.6	162.7	-4	0	0	0	0	112.6
281	T	27.4	Very low	30.2	Very low	129 Å²	129	127.5 Å²	127.5	79%	0.791	79%	0.792	S	S	*	*			cis	-162.6	173.4	43	43.2	0	0	0	0	108
282	S	32.2	Very low	29.3	Very low	107 Å²	107	126.9 Å²	126.9	75%	0.748	79%	0.787	S	S	*	*			cis	-166.2	148	34.2	49.3	0	0	0	0	113.3
283	A	30.5	Very low	29.2	Very low	99 Å²	99	130.7 Å²	130.7	82%	0.818	79%	0.794	S	S	*	*			trans	8.3	152.2	147	0	0	0	0	0	121.3
284	S	31.6	Very low	29.2	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	79%	0.79	S	S	*	*			cis	-144.8	172.1	16.5	51.1	0	0	0	0	109.6
285	D	28.7	Very low	29.4	Very low	158 Å²	158	126.1 Å²	126.1	85%	0.845	79%	0.789	S	S	*	*			cis	-150.5	169.8	33.1	-129	-17.3	0	0	0	112.7
286	D	31.5	Very low	29.4	Very low	146 Å²	146	121.8 Å²	121.8	78%	0.781	79%	0.789	S	S	*	*			trans	-102.4	168.9	-157.1	-109.2	-41.5	0	0	0	117.7
287	L	35.6	Very low	29.7	Very low	129 Å²	129	120.9 Å²	120.9	68%	0.675	79%	0.789	S	S	*	*			trans	86.5	103.7	149.8	-105.8	76.2	0	0	0	123.1
288	E	32.1	Very low	29.8	Very low	163 Å²	163	123.3 Å²	123.3	76%	0.762	80%	0.795	S	S	*	*				63.6	117	122	-73.8	177.9	-173.1	0	0	122.8
289	A	30	Very low	30.4	Very low	105 Å²	105	127.6 Å²	127.6	87%	0.868	80%	0.797	S	S	*	*				-151.7	128.8	106.3	0	0	0	0	0	111.8
290	L	30.1	Very low	30.6	Very low	167 Å²	167	132.4 Å²	132.4	87%	0.874	80%	0.798	S	S	*	*			trans	-88.7	160.1	174.4	-70.9	162.7	0	0	0	111.5
291	G	26.7	Very low	31.2	Very low	65 Å²	65	136.4 Å²	136.4	67%	0.67	80%	0.804	S	S	*	*			trans	160.7	44.5	171	0	0	0	0	0	116.9
292	T	29.7	Very low	31.4	Very low	118 Å²	118	133.9 Å²	133.9	72%	0.724	80%	0.796	S	S	*	*				52.8	113.8	104.3	59.6	0	0	0	0	118.3
293	L	30	Very low	31.5	Very low	169 Å²	169	132.8 Å²	132.8	89%	0.885	79%	0.794	S	S	*	*			trans	75.3	145	151.3	-51.2	164.3	0	0	0	116.6
294	S	27.9	Very low	32	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	80%	0.798	S	S	*	*			cis	-147.3	146.8	17	-166.2	0	0	0	0	114.6
295	L	33.2	Very low	32.6	Very low	158 Å²	158	136.4 Å²	136.4	83%	0.827	80%	0.801	S	S	*	*			trans	-5.9	125.9	161.5	-150	72.1	0	0	0	120.2
296	G	26	Very low	33.7	Very low	75 Å²	75	133.4 Å²	133.4	77%	0.773	80%	0.798	S	S	*	*			trans	-148.4	102.1	157.5	0	0	0	0	0	110
297	T	33	Very low	35.7	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	80%	0.796	S	S	*	*			trans	-85	113.2	-178.3	46.9	0	0	0	0	111.9
298	T	28.6	Very low	37.7	Very low	138 Å²	138	125.9 Å²	125.9	85%	0.847	77%	0.772	S	S	*	*			trans	-141	130.8	148.7	35.8	0	0	0	0	108.6	E300	T298-E300 PolarHBondContact O-N 3Å
299	E	39.2	Very low	40.1	Very low	200 Å²	200	121.4 Å²	121.4	94%	0.935	76%	0.757	S	S	*	*			trans	-69.1	124.3	174.7	-56.9	173	128.2	0	0	109.3
300	E	30.7	Very low	42.4	Very low	178 Å²	178	127.7 Å²	127.7	83%	0.832	76%	0.758	S	S	*	*			trans	-144.2	79.7	159.7	-158.3	162.5	-149.6	0	0	111.5	T298 A302	T298-E300 PolarHBondContact O-N 3Å; E300-A302 HydrophobicContact CG-CB 3.93Å; E300-A302 PolarHBondContact O-N 3.44Å
301	K	40.8	Very low	44.9	Very low	219 Å²	219	121.8 Å²	121.8	95%	0.952	73%	0.729	S	S	*	*			trans	-85.7	84.1	160	-177.7	-173.9	177.4	-178.3	0	107.7
302	A	31.1	Very low	47.7	Very low	76 Å²	76	120.4 Å²	120.4	63%	0.628	71%	0.706	S	S	*	*			trans	-116.8	138.8	175.7	0	0	0	0	0	111.4	E300	E300-A302 HydrophobicContact CG-CB 3.93Å; E300-A302 PolarHBondContact O-N 3.44Å
303	A	33.6	Very low	50.3	Low	84 Å²	84	114.8 Å²	114.8	69%	0.694	67%	0.672	S	S	*	*			trans	-56.7	141.1	-164.9	0	0	0	0	0	116.3	E305	A303-E305 VanDerWaalsContact C-N 3.27Å; A303-E305 HydrophobicContact CB-CG 3.95Å; A303-E305 PolarHBondContact O-N 2.73Å; A303-E305 VanDerWaalsContact O-N 3.12Å
304	A	41.5	Very low	52.8	Low	110 Å²	110	107.1 Å²	107.1	91%	0.909	63%	0.632	S	S	*	*			trans	-76.2	82.6	151.3	0	0	0	0	0	108.8
305	E	43.8	Very low	55.6	Low	172 Å²	172	104.4 Å²	104.4	80%	0.804	61%	0.607	S	S	*	*			trans	-69.6	131.2	169.4	-71.1	-169.5	145.7	0	0	110.1	A303 A307	A303-E305 VanDerWaalsContact C-N 3.27Å; A303-E305 HydrophobicContact CB-CG 3.95Å; A303-E305 PolarHBondContact O-N 2.73Å; A303-E305 VanDerWaalsContact O-N 3.12Å; E305-A307 PolarHBondContact O-N 2.73Å
306	A	52.1	Low	58.2	Low	94 Å²	94	99.3 Å²	99.3	78%	0.777	58%	0.581	S	S	*	*			trans	-73.5	97.5	178.5	0	0	0	0	0	109.9	V308	A306-V308 PolarHBondContact O-N 3.14Å
307	A	73.3	Confident	61.2	Low	91 Å²	91	96.3 Å²	96.3	75%	0.752	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-61.1	129.8	179	0	0	0	0	0	111.7	E305	E305-A307 PolarHBondContact O-N 2.73Å
308	V	78.1	Confident	63.7	Low	26 Å²	26	92.2 Å²	92.2	16%	0.158	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-69.3	134.2	177.7	-177.4	0	0	0	0	109.7	A306 R310 I312 V352 Q355 V356	A306-V308 PolarHBondContact O-N 3.14Å; V308-R310 PolarHBondContact O-N 3.42Å; V308-I312 HydrophobicContact CG1-CB 4.32Å; V308-I312 HydrophobicContact CG1-CG2 3.71Å; V308-V352 HydrophobicContact CG2-CB 4.39Å; V308-V352 HydrophobicContact CG2-CG1 3.83Å; V308-Q355 HydrophobicContact CB-CB 4.08Å; V308-Q355 HydrophobicContact CG1-CB 4.45Å; V308-Q355 HydrophobicContact CG2-CB 4.04Å; V308-V356 HydrophobicContact CG1-CG2 4Å
309	P	83.3	Confident	66.6	Low	70 Å²	70	90.2 Å²	90.2	46%	0.455	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-59.8	129.6	174.5	-23.2	33.7	0	0	0	111.1	T311 I312	P309-T311 PolarHBondContact O-N 2.84Å; P309-T311 VanDerWaalsContact O-N 3.07Å; P309-I312 HydrophobicContact CB-CB 4.48Å; P309-I312 VanDerWaalsContact O-CB 3.3Å; P309-I312 WeakPolarHBondContact O-CB 3.34Å; P309-I312 VanDerWaalsContact O-CG2 3.23Å; P309-I312 WeakPolarHBondContact O-CG2 3.21Å; P309-I312 PolarHBondContact O-N 2.77Å
310	R	78.2	Confident	69.1	Low	237 Å²	237	82.4 Å²	82.4	89%	0.894	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.2	178.4	-63.5	-177.2	-178	174.5	-0.5	113.2	V308 S359	V308-R310 PolarHBondContact O-N 3.42Å; R310-S359 PolarHBondContact O-OG 3.23Å
311	T	81.8	Confident	71.9	Confident	43 Å²	43	75 Å²	75	26%	0.264	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7	-179.9	53.9	0	0	0	0	113.9	P309 G313 A314 E315 A369	P309-T311 PolarHBondContact O-N 2.84Å; P309-T311 VanDerWaalsContact O-N 3.07Å; T311-G313 VanDerWaalsContact C-N 3.25Å; T311-G313 PolarHBondContact O-N 2.62Å; T311-G313 VanDerWaalsContact O-N 3.15Å; T311-A314 PolarHBondContact O-N 3.36Å; T311-E315 VanDerWaalsContact CB-OE1 3.25Å; T311-E315 WeakPolarHBondContact CB-OE1 3.4Å; T311-E315 PolarHBondContact O-N 2.95Å; T311-E315 VanDerWaalsContact O-N 3.07Å; T311-E315 PolarHBondContact OG1-OE1 2.94Å; T311-A369 VanDerWaalsContact CB-O 3.23Å; T311-A369 WeakPolarHBondContact CB-O 3.47Å; T311-A369 WeakPolarHBondContact CG2-O 3.43Å
312	I	85	Confident	74.2	Confident	36 Å²	36	72.5 Å²	72.5	19%	0.185	42%	0.418	C	S	.	.	H	α-helix	trans	-57.8	-35.2	-171.1	-164.8	62.6	0	0	0	113.1	V308 P309 E315 L316 V356	V308-I312 HydrophobicContact CG1-CB 4.32Å; V308-I312 HydrophobicContact CG1-CG2 3.71Å; P309-I312 HydrophobicContact CB-CB 4.48Å; P309-I312 VanDerWaalsContact O-CB 3.3Å; P309-I312 WeakPolarHBondContact O-CB 3.34Å; P309-I312 VanDerWaalsContact O-CG2 3.23Å; P309-I312 WeakPolarHBondContact O-CG2 3.21Å; P309-I312 PolarHBondContact O-N 2.77Å; I312-E315 PolarHBondContact O-N 3.33Å; I312-L316 HydrophobicContact CD1-CG 4.49Å; I312-L316 HydrophobicContact CG1-CD1 4.07Å; I312-L316 HydrophobicContact CG1-CG 4.33Å; I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 VanDerWaalsContact O-CG 3.26Å; I312-L316 WeakPolarHBondContact O-CG 3.5Å; I312-L316 PolarHBondContact O-N 3.16Å; I312-V356 HydrophobicContact CG2-CB 4.43Å; I312-V356 HydrophobicContact CG2-CG1 4.39Å; I312-V356 HydrophobicContact CG2-CG2 4.03Å
313	G	84.8	Confident	77	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-62.3	-45.2	176.1	0	0	0	0	0	112.3	T311 M317 S359	T311-G313 VanDerWaalsContact C-N 3.25Å; T311-G313 PolarHBondContact O-N 2.62Å; T311-G313 VanDerWaalsContact O-N 3.15Å; G313-M317 WeakPolarHBondContact O-CB 3.45Å; G313-M317 WeakPolarHBondContact O-CG 3.36Å; G313-M317 PolarHBondContact O-N 3.27Å; G313-S359 PolarHBondContact N-OG 2.69Å
314	A	83.3	Confident	79.7	Confident	7 Å²	7	74.7 Å²	74.7	6%	0.058	41%	0.41	C	S	.	.	H	α-helix	trans	-67	-41.9	177.9	0	0	0	0	0	112.1	T311 M317 E318 L366 A369	T311-A314 PolarHBondContact O-N 3.36Å; A314-M317 PolarHBondContact O-N 2.84Å; A314-E318 PolarHBondContact O-N 2.94Å; A314-L366 HydrophobicContact CB-CD2 3.72Å; A314-A369 HydrophobicContact CB-CB 3.72Å
315	E	85.6	Confident	81.9	Confident	54 Å²	54	71.7 Å²	71.7	25%	0.252	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-44.3	176.6	-68.6	169.8	-142	0	0	111.8	T311 I312 L319 L370 P371	T311-E315 VanDerWaalsContact CB-OE1 3.25Å; T311-E315 WeakPolarHBondContact CB-OE1 3.4Å; T311-E315 PolarHBondContact O-N 2.95Å; T311-E315 VanDerWaalsContact O-N 3.07Å; T311-E315 PolarHBondContact OG1-OE1 2.94Å; I312-E315 PolarHBondContact O-N 3.33Å; E315-L319 WeakPolarHBondContact O-CB 3.39Å; E315-L319 WeakPolarHBondContact O-CG 3.5Å; E315-L319 PolarHBondContact O-N 3.44Å; E315-L370 HydrophobicContact CG-CD2 4.34Å; E315-P371 HydrophobicContact CG-CG 4.35Å; E315-P371 VanDerWaalsContact OE1-CG 3.26Å; E315-P371 WeakPolarHBondContact OE1-CG 3.26Å
316	L	88.6	Confident	84.1	Confident	52 Å²	52	66.4 Å²	66.4	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-65.8	-40.4	175.9	-71.9	172.8	0	0	0	112	I312 L319 V320 I335 V356	I312-L316 HydrophobicContact CD1-CG 4.49Å; I312-L316 HydrophobicContact CG1-CD1 4.07Å; I312-L316 HydrophobicContact CG1-CG 4.33Å; I312-L316 WeakPolarHBondContact O-CB 3.41Å; I312-L316 VanDerWaalsContact O-CG 3.26Å; I312-L316 WeakPolarHBondContact O-CG 3.5Å; I312-L316 PolarHBondContact O-N 3.16Å; L316-L319 PolarHBondContact O-N 3.25Å; L316-V320 WeakPolarHBondContact O-CB 3.26Å; L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.4Å; L316-V320 PolarHBondContact O-N 3.49Å; L316-I335 HydrophobicContact CB-CD1 3.87Å; L316-I335 HydrophobicContact CD1-CG2 4.17Å; L316-V356 HydrophobicContact CD1-CG1 3.91Å
317	M	88.3	Confident	86	Confident	12 Å²	12	62.9 Å²	62.9	6%	0.059	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-49.2	176.4	-73.1	-78.8	-71.4	0	0	111.5	G313 A314 R321 H328 C331 R332 I335 L360	G313-M317 WeakPolarHBondContact O-CB 3.45Å; G313-M317 WeakPolarHBondContact O-CG 3.36Å; G313-M317 PolarHBondContact O-N 3.27Å; A314-M317 PolarHBondContact O-N 2.84Å; M317-R321 WeakPolarHBondContact O-CB 3.27Å; M317-R321 PolarHBondContact O-N 3.26Å; M317-H328 VanDerWaalsContact CE-CE1 3.43Å; M317-H328 WeakPolarHBondContact CE-CE1 3.19Å; M317-H328 WeakPolarHBondContact CE-NE2 3.29Å; M317-H328 VanDerWaalsContact CE-O 3.26Å; M317-H328 WeakPolarHBondContact CE-O 3.41Å; M317-C331 HydrophobicContact CE-CB 4.23Å; M317-C331 HydrophobicContact SD-CB 3.77Å; M317-R332 HydrophobicContact CE-CB 4.12Å; M317-R332 HydrophobicContact SD-CB 3.98Å; M317-R332 PolarHBondContact SD-N 3.36Å; M317-R332 VanDerWaalsContact SD-N 3.43Å; M317-I335 HydrophobicContact CG-CD1 3.95Å; M317-I335 HydrophobicContact SD-CD1 3.78Å; M317-L360 HydrophobicContact CG-CD2 3.74Å; M317-L360 HydrophobicContact SD-CD2 4.21Å
318	E	86.9	Confident	86.8	Confident	37 Å²	37	60 Å²	60	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-46	176.2	176	65.3	-161.9	0	0	111.7	A314 R321 R322 L370 C376 H377	A314-E318 PolarHBondContact O-N 2.94Å; E318-R321 PolarHBondContact O-N 2.86Å; E318-R322 WeakPolarHBondContact O-CB 3.4Å; E318-R322 PolarHBondContact O-N 3.48Å; E318-L370 HydrophobicContact CB-CD2 4.28Å; E318-L370 HydrophobicContact CG-CD2 4.45Å; E318-C376 VanDerWaalsContact OE2-CB 3.3Å; E318-C376 WeakPolarHBondContact OE2-CB 3.39Å; E318-H377 WeakPolarHBondContact OE1-CB 3.29Å; E318-H377 PolarHBondContact OE1-N 3.19Å; E318-H377 PolarHBondContact OE2-N 2.94Å
319	L	88.4	Confident	87.3	Confident	96 Å²	96	62 Å²	62	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-45.2	-179.7	-75.1	170.7	0	0	0	112.9	E315 L316 N323	E315-L319 WeakPolarHBondContact O-CB 3.39Å; E315-L319 WeakPolarHBondContact O-CG 3.5Å; E315-L319 PolarHBondContact O-N 3.44Å; L316-L319 PolarHBondContact O-N 3.25Å; L319-N323 VanDerWaalsContact O-CB 3.29Å; L319-N323 WeakPolarHBondContact O-CB 3.31Å; L319-N323 VanDerWaalsContact O-CG 3.25Å; L319-N323 PolarHBondContact O-N 2.89Å
320	V	91.3	Very high	87.8	Confident	37 Å²	37	63 Å²	63	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-48.3	176.6	172.5	0	0	0	0	109.3	L316 N323 T324 L326 C331 I335	L316-V320 WeakPolarHBondContact O-CB 3.26Å; L316-V320 VanDerWaalsContact O-CG2 3.28Å; L316-V320 WeakPolarHBondContact O-CG2 3.4Å; L316-V320 PolarHBondContact O-N 3.49Å; V320-N323 PolarHBondContact O-N 3.48Å; V320-T324 HydrophobicContact CG1-CG2 4.27Å; V320-T324 WeakPolarHBondContact O-CB 3.26Å; V320-T324 WeakPolarHBondContact O-CG2 3.35Å; V320-T324 PolarHBondContact O-N 3.22Å; V320-T324 PolarHBondContact O-OG1 3.21Å; V320-L326 HydrophobicContact CG1-CD1 4.37Å; V320-C331 HydrophobicContact CG1-CB 4.22Å; V320-I335 HydrophobicContact CB-CD1 4.5Å; V320-I335 HydrophobicContact CG2-CD1 4.13Å; V320-I335 HydrophobicContact CG2-CG1 3.95Å
321	R	90.4	Very high	88.4	Confident	22 Å²	22	51.8 Å²	51.8	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-53.1	-178.5	-177.1	165.9	176.7	77.3	2.9	112.3	M317 E318 N323 T324 G325 L326 D378 D423 A424	M317-R321 WeakPolarHBondContact O-CB 3.27Å; M317-R321 PolarHBondContact O-N 3.26Å; E318-R321 PolarHBondContact O-N 2.86Å; R321-N323 PolarHBondContact O-N 2.98Å; R321-T324 PolarHBondContact O-N 3.5Å; R321-G325 PolarHBondContact O-N 3.12Å; R321-L326 PolarHBondContact NH1-O 3.18Å; R321-D378 IonicContact CZ-OD2 3.73Å; R321-D378 IonicContact NE-OD1 3.54Å; R321-D378 IonicContact NE-OD2 2.74Å; R321-D378 PolarHBondContact NE-OD2 3.17Å; R321-D378 IonicContact NH2-OD2 2.74Å; R321-D378 PolarHBondContact NH2-OD2 3.37Å; R321-D423 PolarHBondContact NH1-O 3.47Å; R321-D423 PolarHBondContact NH2-O 2.95Å; R321-A424 VanDerWaalsContact NH2-CB 3.3Å
322	R	88.6	Confident	88.8	Confident	166 Å²	166	53.5 Å²	53.5	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-59.5	-32.6	-179.8	-177.5	177.8	173.4	-167.3	-2.4	113.3	E318	E318-R322 WeakPolarHBondContact O-CB 3.4Å; E318-R322 PolarHBondContact O-N 3.48Å
323	N	90.3	Very high	89.2	Confident	124 Å²	124	55.3 Å²	55.3	66%	0.663	29%	0.289	S	S	*	.	H	α-helix	trans	-95.7	-15	-175.5	-65.9	-0.6	0	0	0	114.1	L319 V320 R321	L319-N323 VanDerWaalsContact O-CB 3.29Å; L319-N323 WeakPolarHBondContact O-CB 3.31Å; L319-N323 VanDerWaalsContact O-CG 3.25Å; L319-N323 PolarHBondContact O-N 2.89Å; V320-N323 PolarHBondContact O-N 3.48Å; R321-N323 PolarHBondContact O-N 2.98Å
324	T	90.6	Very high	89.7	Confident	82 Å²	82	56.8 Å²	56.8	50%	0.503	30%	0.3	S	S	.	.	H	α-helix	trans	-120.6	-22.1	-175.6	64.9	0	0	0	0	114.8	V320 R321 L326	V320-T324 HydrophobicContact CG1-CG2 4.27Å; V320-T324 WeakPolarHBondContact O-CB 3.26Å; V320-T324 WeakPolarHBondContact O-CG2 3.35Å; V320-T324 PolarHBondContact O-N 3.22Å; V320-T324 PolarHBondContact O-OG1 3.21Å; R321-T324 PolarHBondContact O-N 3.5Å; T324-L326 PolarHBondContact O-N 2.92Å; T324-L326 WeakPolarHBondContact OG1-CB 2.95Å; T324-L326 WeakPolarHBondContact OG1-CG 3.39Å; T324-L326 PolarHBondContact OG1-N 2.94Å
325	G	86.3	Confident	90.1	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	30%	0.3	S	S	.	.			trans	70.1	12.4	-172	0	0	0	0	0	114.4	R321	R321-G325 PolarHBondContact O-N 3.12Å
326	L	91.4	Very high	90.5	Very high	61 Å²	61	55.4 Å²	55.4	32%	0.319	30%	0.299	S	S	.	.			trans	-66.7	146.2	175.2	-71.4	173.5	0	0	0	111.5	V320 R321 T324 L330 C331 A334	V320-L326 HydrophobicContact CG1-CD1 4.37Å; R321-L326 PolarHBondContact NH1-O 3.18Å; T324-L326 PolarHBondContact O-N 2.92Å; T324-L326 WeakPolarHBondContact OG1-CB 2.95Å; T324-L326 WeakPolarHBondContact OG1-CG 3.39Å; T324-L326 PolarHBondContact OG1-N 2.94Å; L326-L330 HydrophobicContact CB-CB 4.12Å; L326-L330 HydrophobicContact CD2-CB 4.16Å; L326-L330 HydrophobicContact CD2-CD1 4.28Å; L326-C331 PolarHBondContact O-SG 2.76Å; L326-A334 HydrophobicContact CD1-CB 4.42Å
327	S	91.6	Very high	90.8	Very high	20 Å²	20	57.5 Å²	57.5	14%	0.14	31%	0.314	C	S	.	.			trans	-62.2	157.6	172.8	74.6	0	0	0	0	111.5	E329 L330 C331 D423	S327-E329 VanDerWaalsContact C-N 3.28Å; S327-E329 PolarHBondContact O-N 3.46Å; S327-L330 CarbonylContact O-C 3.49Å; S327-L330 PolarHBondContact O-N 2.64Å; S327-L330 WeakPolarHBondContact OG-CD1 3.46Å; S327-L330 VanDerWaalsContact OG-CG 3.28Å; S327-L330 WeakPolarHBondContact OG-CG 3.49Å; S327-L330 PolarHBondContact OG-N 2.96Å; S327-C331 PolarHBondContact O-N 2.61Å; S327-C331 PolarHBondContact O-SG 3.14Å; S327-C331 VanDerWaalsContact O-SG 3.38Å; S327-D423 CarbonylContact C-O 3.59Å; S327-D423 VanDerWaalsContact CA-O 3.31Å; S327-D423 WeakPolarHBondContact CA-O 3.3Å; S327-D423 VanDerWaalsContact CB-OD1 3.3Å; S327-D423 WeakPolarHBondContact CB-OD1 3.5Å
328	H	89.7	Confident	91.1	Very high	31 Å²	31	62 Å²	62	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-52.8	-45.9	-176.3	-176.9	101.9	0	0	0	111.8	M317 C331 R332 D423 D425	M317-H328 VanDerWaalsContact CE-CE1 3.43Å; M317-H328 WeakPolarHBondContact CE-CE1 3.19Å; M317-H328 WeakPolarHBondContact CE-NE2 3.29Å; M317-H328 VanDerWaalsContact CE-O 3.26Å; M317-H328 WeakPolarHBondContact CE-O 3.41Å; H328-C331 WeakPolarHBondContact O-CB 3.5Å; H328-C331 PolarHBondContact O-N 3.26Å; H328-R332 PolarHBondContact O-N 3.24Å; H328-D423 PolarHBondContact N-O 2.86Å; H328-D425 IonicContact CE1-OD2 3.58Å; H328-D425 PolarHBondContact CE1-OD2 2.92Å; H328-D425 WeakPolarHBondContact ND1-CB 3.3Å
329	E	89.9	Confident	91.4	Very high	67 Å²	67	60.8 Å²	60.8	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-67.4	-40	176.1	-173.7	74.3	150.5	0	0	112.5	Y227 S327 C331 R332 V333	Y227-E329 WeakPolarHBondContact OH-CG 3.46Å; Y227-E329 PolarHBondContact OH-OE1 2.95Å; S327-E329 VanDerWaalsContact C-N 3.28Å; S327-E329 PolarHBondContact O-N 3.46Å; E329-C331 VanDerWaalsContact C-N 3.28Å; E329-C331 PolarHBondContact O-N 2.86Å; E329-R332 WeakPolarHBondContact O-CB 3.26Å; E329-R332 PolarHBondContact O-N 3.48Å; E329-R332 VanDerWaalsContact O-N 3.1Å; E329-R332 WeakPolarHBondContact OE2-CD 3.41Å; E329-V333 HydrophobicContact CG-CG2 4.34Å; E329-V333 WeakPolarHBondContact O-CG2 3.32Å; E329-V333 PolarHBondContact O-N 3.36Å
330	L	91.9	Very high	91.6	Very high	93 Å²	93	57.3 Å²	57.3	49%	0.487	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-31.5	177.8	-68.3	175.9	0	0	0	112.1	L326 S327 A334	L326-L330 HydrophobicContact CB-CB 4.12Å; L326-L330 HydrophobicContact CD2-CB 4.16Å; L326-L330 HydrophobicContact CD2-CD1 4.28Å; S327-L330 CarbonylContact O-C 3.49Å; S327-L330 PolarHBondContact O-N 2.64Å; S327-L330 WeakPolarHBondContact OG-CD1 3.46Å; S327-L330 VanDerWaalsContact OG-CG 3.28Å; S327-L330 WeakPolarHBondContact OG-CG 3.49Å; S327-L330 PolarHBondContact OG-N 2.96Å; L330-A334 WeakPolarHBondContact O-CB 3.24Å; L330-A334 PolarHBondContact O-N 3.23Å
331	C	92.1	Very high	91.8	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-48.1	167.6	-65.1	0	0	0	0	111.3	M317 V320 L326 S327 H328 E329 V333 A334 I335	M317-C331 HydrophobicContact CE-CB 4.23Å; M317-C331 HydrophobicContact SD-CB 3.77Å; V320-C331 HydrophobicContact CG1-CB 4.22Å; L326-C331 PolarHBondContact O-SG 2.76Å; S327-C331 PolarHBondContact O-N 2.61Å; S327-C331 PolarHBondContact O-SG 3.14Å; S327-C331 VanDerWaalsContact O-SG 3.38Å; H328-C331 WeakPolarHBondContact O-CB 3.5Å; H328-C331 PolarHBondContact O-N 3.26Å; E329-C331 VanDerWaalsContact C-N 3.28Å; E329-C331 PolarHBondContact O-N 2.86Å; C331-V333 VanDerWaalsContact C-N 3.35Å; C331-V333 PolarHBondContact O-N 3.36Å; C331-A334 PolarHBondContact O-N 3.06Å; C331-I335 WeakPolarHBondContact O-CD1 3.5Å; C331-I335 VanDerWaalsContact O-CG1 3.27Å; C331-I335 WeakPolarHBondContact O-CG1 3.44Å; C331-I335 PolarHBondContact O-N 2.9Å
332	R	90.8	Very high	91.9	Very high	78 Å²	78	63.8 Å²	63.8	29%	0.294	35%	0.35	S	S	.	.	H	α-helix	trans	-58.2	-45.9	178.4	-169.6	-170.9	-177.5	95.7	2.9	111.5	M317 H328 E329 G336 L360	M317-R332 HydrophobicContact CE-CB 4.12Å; M317-R332 HydrophobicContact SD-CB 3.98Å; M317-R332 PolarHBondContact SD-N 3.36Å; M317-R332 VanDerWaalsContact SD-N 3.43Å; H328-R332 PolarHBondContact O-N 3.24Å; E329-R332 WeakPolarHBondContact O-CB 3.26Å; E329-R332 PolarHBondContact O-N 3.48Å; E329-R332 VanDerWaalsContact O-N 3.1Å; E329-R332 WeakPolarHBondContact OE2-CD 3.41Å; R332-G336 PolarHBondContact O-N 3.4Å; R332-L360 VanDerWaalsContact CZ-O 3.22Å; R332-L360 PolarHBondContact NH1-O 3.45Å; R332-L360 PolarHBondContact NH2-O 3.16Å; R332-L360 VanDerWaalsContact NH2-O 3.12Å
333	V	93.4	Very high	92.1	Very high	75 Å²	75	58.1 Å²	58.1	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-46.8	176	172.9	0	0	0	0	111.1	E329 C331 I335 G336 V337	E329-V333 HydrophobicContact CG-CG2 4.34Å; E329-V333 WeakPolarHBondContact O-CG2 3.32Å; E329-V333 PolarHBondContact O-N 3.36Å; C331-V333 VanDerWaalsContact C-N 3.35Å; C331-V333 PolarHBondContact O-N 3.36Å; V333-I335 PolarHBondContact O-N 3.09Å; V333-G336 PolarHBondContact O-N 3.39Å; V333-V337 HydrophobicContact CG1-CG2 4.28Å; V333-V337 WeakPolarHBondContact O-CB 3.44Å; V333-V337 VanDerWaalsContact O-CG2 3.3Å; V333-V337 WeakPolarHBondContact O-CG2 3.4Å; V333-V337 PolarHBondContact O-N 3.24Å
334	A	94.3	Very high	92.2	Very high	30 Å²	30	56 Å²	56	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-45.9	-179.7	0	0	0	0	0	112.2	L326 L330 C331 V337 I338	L326-A334 HydrophobicContact CD1-CB 4.42Å; L330-A334 WeakPolarHBondContact O-CB 3.24Å; L330-A334 PolarHBondContact O-N 3.23Å; C331-A334 PolarHBondContact O-N 3.06Å; A334-V337 PolarHBondContact O-N 3.29Å; A334-I338 WeakPolarHBondContact O-CD1 3.24Å; A334-I338 VanDerWaalsContact O-CG1 3.27Å; A334-I338 WeakPolarHBondContact O-CG1 3.5Å; A334-I338 PolarHBondContact O-N 3.14Å
335	I	92.7	Very high	92.4	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.041	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-45	176.7	-58.7	159.4	0	0	0	109.8	L316 M317 V320 C331 V333 V337 I338 V339 L360	L316-I335 HydrophobicContact CB-CD1 3.87Å; L316-I335 HydrophobicContact CD1-CG2 4.17Å; M317-I335 HydrophobicContact CG-CD1 3.95Å; M317-I335 HydrophobicContact SD-CD1 3.78Å; V320-I335 HydrophobicContact CB-CD1 4.5Å; V320-I335 HydrophobicContact CG2-CD1 4.13Å; V320-I335 HydrophobicContact CG2-CG1 3.95Å; C331-I335 WeakPolarHBondContact O-CD1 3.5Å; C331-I335 VanDerWaalsContact O-CG1 3.27Å; C331-I335 WeakPolarHBondContact O-CG1 3.44Å; C331-I335 PolarHBondContact O-N 2.9Å; V333-I335 PolarHBondContact O-N 3.09Å; I335-V337 VanDerWaalsContact C-N 3.35Å; I335-V337 PolarHBondContact O-N 3.34Å; I335-I338 PolarHBondContact O-N 3.14Å; I335-V339 HydrophobicContact CG2-CG2 3.85Å; I335-V339 WeakPolarHBondContact O-CB 3.4Å; I335-V339 VanDerWaalsContact O-CG2 3.28Å; I335-V339 WeakPolarHBondContact O-CG2 3.47Å; I335-V339 PolarHBondContact O-N 2.91Å; I335-L360 HydrophobicContact CB-CD1 4.19Å; I335-L360 HydrophobicContact CD1-CD2 4.35Å; I335-L360 HydrophobicContact CG2-CD1 3.6Å
336	G	92.4	Very high	92.7	Very high	24 Å²	24	56.6 Å²	56.6	25%	0.247	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-42	177.5	0	0	0	0	0	113.6	R332 V333 G340	R332-G336 PolarHBondContact O-N 3.4Å; V333-G336 PolarHBondContact O-N 3.39Å; G336-G340 WeakPolarHBondContact O-CA 3.41Å; G336-G340 PolarHBondContact O-N 2.92Å
337	V	94.8	Very high	92.6	Very high	97 Å²	97	58.4 Å²	58.4	59%	0.588	34%	0.343	S	S	*	.	H	α-helix	trans	-66.7	-45.3	176.3	169.4	0	0	0	0	111.5	V333 A334 I335 H341	V333-V337 HydrophobicContact CG1-CG2 4.28Å; V333-V337 WeakPolarHBondContact O-CB 3.44Å; V333-V337 VanDerWaalsContact O-CG2 3.3Å; V333-V337 WeakPolarHBondContact O-CG2 3.4Å; V333-V337 PolarHBondContact O-N 3.24Å; A334-V337 PolarHBondContact O-N 3.29Å; I335-V337 VanDerWaalsContact C-N 3.35Å; I335-V337 PolarHBondContact O-N 3.34Å; V337-H341 WeakPolarHBondContact O-CB 3.29Å; V337-H341 PolarHBondContact O-N 2.89Å
338	I	95	Very high	92.4	Very high	105 Å²	105	62.2 Å²	62.2	54%	0.538	38%	0.375	S	S	.	.	H	α-helix	trans	-65.8	-51.3	-179.7	-67.8	165.7	0	0	0	110.5	A334 I335 H341 I342	A334-I338 WeakPolarHBondContact O-CD1 3.24Å; A334-I338 VanDerWaalsContact O-CG1 3.27Å; A334-I338 WeakPolarHBondContact O-CG1 3.5Å; A334-I338 PolarHBondContact O-N 3.14Å; I335-I338 PolarHBondContact O-N 3.14Å; I338-H341 PolarHBondContact O-N 3.44Å; I338-I342 HydrophobicContact CG2-CD1 3.86Å; I338-I342 VanDerWaalsContact O-CG1 3.29Å; I338-I342 WeakPolarHBondContact O-CG1 3.16Å; I338-I342 PolarHBondContact O-N 2.82Å
339	V	93.8	Very high	92.4	Very high	12 Å²	12	61.7 Å²	61.7	7%	0.073	38%	0.375	C	S	.	.	H	α-helix	trans	-65.4	-43.9	-178.4	175.3	0	0	0	0	110.8	I335 H341 I342 Q343 M353 V356 L357	I335-V339 HydrophobicContact CG2-CG2 3.85Å; I335-V339 WeakPolarHBondContact O-CB 3.4Å; I335-V339 VanDerWaalsContact O-CG2 3.28Å; I335-V339 WeakPolarHBondContact O-CG2 3.47Å; I335-V339 PolarHBondContact O-N 2.91Å; V339-H341 PolarHBondContact O-N 2.95Å; V339-I342 PolarHBondContact O-N 3.3Å; V339-Q343 WeakPolarHBondContact O-CB 3.27Å; V339-Q343 PolarHBondContact O-N 2.68Å; V339-M353 HydrophobicContact CG1-CB 3.78Å; V339-M353 HydrophobicContact CG1-CG 4.34Å; V339-M353 WeakPolarHBondContact CG1-O 3.32Å; V339-M353 HydrophobicContact CG1-SD 3.89Å; V339-V356 HydrophobicContact CG1-CB 4.23Å; V339-V356 HydrophobicContact CG1-CG1 4.23Å; V339-V356 HydrophobicContact CG2-CG1 4.01Å; V339-L357 HydrophobicContact CB-CD2 3.97Å; V339-L357 HydrophobicContact CB-CG 4.41Å; V339-L357 HydrophobicContact CG1-CD1 4.3Å; V339-L357 HydrophobicContact CG1-CD2 3.8Å; V339-L357 HydrophobicContact CG1-CG 3.69Å
340	G	92.6	Very high	92.3	Very high	24 Å²	24	60.1 Å²	60.1	25%	0.247	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-37.2	176.1	0	0	0	0	0	113.3	G336 Q343 A344	G336-G340 WeakPolarHBondContact O-CA 3.41Å; G336-G340 PolarHBondContact O-N 2.92Å; G340-Q343 PolarHBondContact O-N 2.77Å; G340-A344 WeakPolarHBondContact O-CB 3.26Å; G340-A344 PolarHBondContact O-N 2.93Å
341	H	94.6	Very high	92.2	Very high	128 Å²	128	59.4 Å²	59.4	59%	0.593	37%	0.372	S	S	*	.	H	α-helix	trans	-69.2	-38	174.8	-174.7	62	0	0	0	112.5	V337 I338 V339 A344 S345	V337-H341 WeakPolarHBondContact O-CB 3.29Å; V337-H341 PolarHBondContact O-N 2.89Å; I338-H341 PolarHBondContact O-N 3.44Å; V339-H341 PolarHBondContact O-N 2.95Å; H341-A344 PolarHBondContact O-N 2.81Å; H341-S345 PolarHBondContact CE1-OG 3.24Å; H341-S345 VanDerWaalsContact O-CB 3.23Å; H341-S345 WeakPolarHBondContact O-CB 3.34Å; H341-S345 PolarHBondContact O-N 2.8Å; H341-S345 PolarHBondContact O-OG 3.08Å
342	I	94	Very high	92.1	Very high	66 Å²	66	62.6 Å²	62.6	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-65	-45.4	173.7	-67.7	165.5	0	0	0	110.3	I338 V339 A344 S345 V346 M353	I338-I342 HydrophobicContact CG2-CD1 3.86Å; I338-I342 VanDerWaalsContact O-CG1 3.29Å; I338-I342 WeakPolarHBondContact O-CG1 3.16Å; I338-I342 PolarHBondContact O-N 2.82Å; V339-I342 PolarHBondContact O-N 3.3Å; I342-A344 PolarHBondContact O-N 3.37Å; I342-S345 PolarHBondContact O-N 3.39Å; I342-V346 WeakPolarHBondContact O-CB 3.37Å; I342-V346 PolarHBondContact O-N 3.21Å; I342-M353 HydrophobicContact CB-SD 4.4Å; I342-M353 HydrophobicContact CG2-CE 3.85Å; I342-M353 HydrophobicContact CG2-CG 4.11Å; I342-M353 HydrophobicContact CG2-SD 3.96Å
343	Q	92.9	Very high	92.1	Very high	47 Å²	47	60.7 Å²	60.7	22%	0.22	39%	0.387	C	S	.	.	H	α-helix	trans	-55.2	-48.6	175.2	-179.2	174.2	24.4	0	0	111.9	V339 G340 S350 M353	V339-Q343 WeakPolarHBondContact O-CB 3.27Å; V339-Q343 PolarHBondContact O-N 2.68Å; G340-Q343 PolarHBondContact O-N 2.77Å; Q343-S350 PolarHBondContact NE2-OG 2.82Å; Q343-M353 HydrophobicContact CB-CB 3.83Å; Q343-M353 HydrophobicContact CB-CG 4.36Å; Q343-M353 HydrophobicContact CG-CB 4.33Å
344	A	92.2	Very high	91.9	Very high	79 Å²	79	62 Å²	62	65%	0.653	39%	0.388	S	S	*	.	H	α-helix	trans	-69.1	-35	-179.9	0	0	0	0	0	113.3	G340 H341 I342	G340-A344 WeakPolarHBondContact O-CB 3.26Å; G340-A344 PolarHBondContact O-N 2.93Å; H341-A344 PolarHBondContact O-N 2.81Å; I342-A344 PolarHBondContact O-N 3.37Å
345	S	93.6	Very high	91.6	Very high	67 Å²	67	65.1 Å²	65.1	47%	0.469	40%	0.397	S	S	.	.	H	α-helix	trans	-87.6	-23.3	-175.6	-53.8	0	0	0	0	113.6	H341 I342	H341-S345 PolarHBondContact CE1-OG 3.24Å; H341-S345 VanDerWaalsContact O-CB 3.23Å; H341-S345 WeakPolarHBondContact O-CB 3.34Å; H341-S345 PolarHBondContact O-N 2.8Å; H341-S345 PolarHBondContact O-OG 3.08Å; I342-S345 PolarHBondContact O-N 3.39Å
346	V	93.7	Very high	91.4	Very high	75 Å²	75	65.4 Å²	65.4	46%	0.455	40%	0.399	S	S	.	.			trans	-130.5	81.3	-176.2	-171.3	0	0	0	0	109.5	I342 A348 S349	I342-V346 WeakPolarHBondContact O-CB 3.37Å; I342-V346 PolarHBondContact O-N 3.21Å; V346-A348 PolarHBondContact O-N 3.47Å; V346-A348 VanDerWaalsContact O-N 3.09Å; V346-S349 WeakPolarHBondContact O-CB 3.31Å; V346-S349 PolarHBondContact O-N 3.14Å; V346-S349 PolarHBondContact O-OG 3.4Å
347	P	88	Confident	91.1	Very high	100 Å²	100	66.4 Å²	66.4	65%	0.649	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-56	-32.1	-173.7	-28.6	36	0	0	0	114.6	S349 S350	P347-S349 PolarHBondContact O-N 3.31Å; P347-S350 VanDerWaalsContact O-CB 3.28Å; P347-S350 WeakPolarHBondContact O-CB 3.32Å; P347-S350 PolarHBondContact O-N 3.33Å; P347-S350 VanDerWaalsContact O-N 3.08Å
348	A	88.9	Confident	90.7	Very high	99 Å²	99	65.6 Å²	65.6	82%	0.818	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-63.4	-19.5	176.2	0	0	0	0	0	113.9	V346	V346-A348 PolarHBondContact O-N 3.47Å; V346-A348 VanDerWaalsContact O-N 3.09Å
349	S	88.8	Confident	90.3	Very high	21 Å²	21	61.2 Å²	61.2	15%	0.147	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-92.7	-6	175.9	73.1	0	0	0	0	113.7	V346 P347 V352 M353	V346-S349 WeakPolarHBondContact O-CB 3.31Å; V346-S349 PolarHBondContact O-N 3.14Å; V346-S349 PolarHBondContact O-OG 3.4Å; P347-S349 PolarHBondContact O-N 3.31Å; S349-V352 PolarHBondContact O-N 2.9Å; S349-V352 VanDerWaalsContact O-N 3.12Å; S349-M353 WeakPolarHBondContact O-CG 3.26Å; S349-M353 PolarHBondContact O-N 3.32Å
350	S	88.6	Confident	89.7	Confident	33 Å²	33	61 Å²	61	23%	0.231	37%	0.367	C	S	.	.	H	α-helix	trans	-51.3	-50.6	-171.9	-171.8	0	0	0	0	115.2	Q343 P347 V352 M353 E354	Q343-S350 PolarHBondContact NE2-OG 2.82Å; P347-S350 VanDerWaalsContact O-CB 3.28Å; P347-S350 WeakPolarHBondContact O-CB 3.32Å; P347-S350 PolarHBondContact O-N 3.33Å; P347-S350 VanDerWaalsContact O-N 3.08Å; S350-V352 VanDerWaalsContact C-N 3.25Å; S350-V352 PolarHBondContact O-N 3.01Å; S350-M353 PolarHBondContact O-N 3.49Å; S350-E354 VanDerWaalsContact O-CB 3.28Å; S350-E354 WeakPolarHBondContact O-CB 3.36Å; S350-E354 PolarHBondContact O-N 3.26Å
351	P	89.9	Confident	89	Confident	78 Å²	78	64.1 Å²	64.1	51%	0.506	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-29.3	-177.1	25.2	-34.6	0	0	0	113.1	Q355	P351-Q355 WeakPolarHBondContact O-CG 3.16Å; P351-Q355 PolarHBondContact O-N 2.92Å
352	V	89.9	Confident	87.7	Confident	68 Å²	68	65 Å²	65	41%	0.412	39%	0.386	S	S	.	.	H	α-helix	trans	-72.8	-47.1	175.4	174.6	0	0	0	0	110.3	V308 S349 S350 E354 Q355 V356	V308-V352 HydrophobicContact CG2-CB 4.39Å; V308-V352 HydrophobicContact CG2-CG1 3.83Å; S349-V352 PolarHBondContact O-N 2.9Å; S349-V352 VanDerWaalsContact O-N 3.12Å; S350-V352 VanDerWaalsContact C-N 3.25Å; S350-V352 PolarHBondContact O-N 3.01Å; V352-E354 VanDerWaalsContact C-N 3.35Å; V352-E354 PolarHBondContact O-N 3.4Å; V352-Q355 PolarHBondContact O-N 3.43Å; V352-V356 WeakPolarHBondContact O-CG2 3.42Å; V352-V356 PolarHBondContact O-N 2.84Å; V352-V356 VanDerWaalsContact O-N 3.14Å
353	M	90.4	Very high	85.9	Confident	39 Å²	39	62.9 Å²	62.9	19%	0.192	38%	0.38	C	S	.	.	H	α-helix	trans	-67	-36.6	-179.5	-62.8	-60.4	149.4	0	0	111.9	V339 I342 Q343 S349 S350 V356 L357	V339-M353 HydrophobicContact CG1-CB 3.78Å; V339-M353 HydrophobicContact CG1-CG 4.34Å; V339-M353 WeakPolarHBondContact CG1-O 3.32Å; V339-M353 HydrophobicContact CG1-SD 3.89Å; I342-M353 HydrophobicContact CB-SD 4.4Å; I342-M353 HydrophobicContact CG2-CE 3.85Å; I342-M353 HydrophobicContact CG2-CG 4.11Å; I342-M353 HydrophobicContact CG2-SD 3.96Å; Q343-M353 HydrophobicContact CB-CB 3.83Å; Q343-M353 HydrophobicContact CB-CG 4.36Å; Q343-M353 HydrophobicContact CG-CB 4.33Å; S349-M353 WeakPolarHBondContact O-CG 3.26Å; S349-M353 PolarHBondContact O-N 3.32Å; S350-M353 PolarHBondContact O-N 3.49Å; M353-V356 WeakPolarHBondContact O-CB 3.46Å; M353-V356 PolarHBondContact O-N 2.64Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 3.01Å
354	E	89.1	Confident	84	Confident	102 Å²	102	69.2 Å²	69.2	48%	0.477	41%	0.407	S	S	.	.	H	α-helix	trans	-62.2	-42.8	173.8	-171.4	170	-173.7	0	0	111.8	S350 V352 V356 L357 L358	S350-E354 VanDerWaalsContact O-CB 3.28Å; S350-E354 WeakPolarHBondContact O-CB 3.36Å; S350-E354 PolarHBondContact O-N 3.26Å; V352-E354 VanDerWaalsContact C-N 3.35Å; V352-E354 PolarHBondContact O-N 3.4Å; E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 3.28Å; E354-L357 PolarHBondContact O-N 3.45Å; E354-L358 HydrophobicContact CG-CD1 4.25Å; E354-L358 WeakPolarHBondContact O-CB 3.25Å; E354-L358 VanDerWaalsContact O-CG 3.32Å; E354-L358 WeakPolarHBondContact O-CG 3.49Å; E354-L358 PolarHBondContact O-N 3.43Å
355	Q	87.1	Confident	82	Confident	96 Å²	96	70.3 Å²	70.3	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-64.1	-33.9	173.5	-74.4	-175.2	16.4	0	0	113.1	V308 P351 V352 S359	V308-Q355 HydrophobicContact CB-CB 4.08Å; V308-Q355 HydrophobicContact CG1-CB 4.45Å; V308-Q355 HydrophobicContact CG2-CB 4.04Å; P351-Q355 WeakPolarHBondContact O-CG 3.16Å; P351-Q355 PolarHBondContact O-N 2.92Å; V352-Q355 PolarHBondContact O-N 3.43Å; Q355-S359 WeakPolarHBondContact O-CB 3.4Å; Q355-S359 PolarHBondContact O-N 3.12Å
356	V	88.3	Confident	80	Confident	13 Å²	13	68.1 Å²	68.1	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-66.5	-43	172.8	175.9	0	0	0	0	111.1	V308 I312 L316 V339 V352 M353 E354 S359 L360	V308-V356 HydrophobicContact CG1-CG2 4Å; I312-V356 HydrophobicContact CG2-CB 4.43Å; I312-V356 HydrophobicContact CG2-CG1 4.39Å; I312-V356 HydrophobicContact CG2-CG2 4.03Å; L316-V356 HydrophobicContact CD1-CG1 3.91Å; V339-V356 HydrophobicContact CG1-CB 4.23Å; V339-V356 HydrophobicContact CG1-CG1 4.23Å; V339-V356 HydrophobicContact CG2-CG1 4.01Å; V352-V356 WeakPolarHBondContact O-CG2 3.42Å; V352-V356 PolarHBondContact O-N 2.84Å; V352-V356 VanDerWaalsContact O-N 3.14Å; M353-V356 WeakPolarHBondContact O-CB 3.46Å; M353-V356 PolarHBondContact O-N 2.64Å; E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 3.28Å; V356-S359 PolarHBondContact O-N 3.48Å; V356-L360 WeakPolarHBondContact O-CG 3.44Å; V356-L360 PolarHBondContact O-N 2.88Å
357	L	87.5	Confident	77.9	Confident	46 Å²	46	66.1 Å²	66.1	24%	0.241	38%	0.375	C	S	.	.	H	α-helix	trans	-65	-40.8	175.9	-67.8	176.7	0	0	0	112.1	V339 M353 E354 L360 V361	V339-L357 HydrophobicContact CB-CD2 3.97Å; V339-L357 HydrophobicContact CB-CG 4.41Å; V339-L357 HydrophobicContact CG1-CD1 4.3Å; V339-L357 HydrophobicContact CG1-CD2 3.8Å; V339-L357 HydrophobicContact CG1-CG 3.69Å; M353-L357 WeakPolarHBondContact O-CG 3.36Å; M353-L357 PolarHBondContact O-N 3.01Å; E354-L357 PolarHBondContact O-N 3.45Å; L357-L360 HydrophobicContact CD2-CD1 4.39Å; L357-L360 PolarHBondContact O-N 2.73Å; L357-V361 WeakPolarHBondContact O-CG2 3.47Å; L357-V361 PolarHBondContact O-N 2.95Å
358	L	86.4	Confident	76	Confident	80 Å²	80	68.3 Å²	68.3	42%	0.419	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-43.8	174.3	-72.6	167.3	0	0	0	111.3	E354 L360 V361 E362	E354-L358 HydrophobicContact CG-CD1 4.25Å; E354-L358 WeakPolarHBondContact O-CB 3.25Å; E354-L358 VanDerWaalsContact O-CG 3.32Å; E354-L358 WeakPolarHBondContact O-CG 3.49Å; E354-L358 PolarHBondContact O-N 3.43Å; L358-L360 VanDerWaalsContact C-N 3.27Å; L358-L360 PolarHBondContact O-N 2.99Å; L358-V361 PolarHBondContact O-N 3.07Å; L358-E362 WeakPolarHBondContact O-CB 3.35Å; L358-E362 WeakPolarHBondContact O-CG 3.44Å; L358-E362 PolarHBondContact O-N 2.94Å
359	S	85.4	Confident	74.2	Confident	12 Å²	12	64.9 Å²	64.9	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-57	-36.6	175.3	178.9	0	0	0	0	113	R310 G313 Q355 V356 V361 G363	R310-S359 PolarHBondContact O-OG 3.23Å; G313-S359 PolarHBondContact N-OG 2.69Å; Q355-S359 WeakPolarHBondContact O-CB 3.4Å; Q355-S359 PolarHBondContact O-N 3.12Å; V356-S359 PolarHBondContact O-N 3.48Å; S359-V361 VanDerWaalsContact C-N 3.3Å; S359-V361 PolarHBondContact O-N 2.89Å; S359-G363 PolarHBondContact O-N 2.91Å
360	L	81.9	Confident	72.8	Confident	7 Å²	7	65 Å²	65	4%	0.037	35%	0.348	C	S	.	.	H	α-helix	trans	-70.6	-22	174.7	-67.4	163.9	0	0	0	113.7	M317 R332 I335 V356 L357 L358	M317-L360 HydrophobicContact CG-CD2 3.74Å; M317-L360 HydrophobicContact SD-CD2 4.21Å; R332-L360 VanDerWaalsContact CZ-O 3.22Å; R332-L360 PolarHBondContact NH1-O 3.45Å; R332-L360 PolarHBondContact NH2-O 3.16Å; R332-L360 VanDerWaalsContact NH2-O 3.12Å; I335-L360 HydrophobicContact CB-CD1 4.19Å; I335-L360 HydrophobicContact CD1-CD2 4.35Å; I335-L360 HydrophobicContact CG2-CD1 3.6Å; V356-L360 WeakPolarHBondContact O-CG 3.44Å; V356-L360 PolarHBondContact O-N 2.88Å; L357-L360 HydrophobicContact CD2-CD1 4.39Å; L357-L360 PolarHBondContact O-N 2.73Å; L358-L360 VanDerWaalsContact C-N 3.27Å; L358-L360 PolarHBondContact O-N 2.99Å
361	V	77.4	Confident	71.3	Confident	90 Å²	90	65.8 Å²	65.8	55%	0.545	35%	0.353	S	S	.	.	H	α-helix	trans	-97.9	-41	-177.7	178.9	0	0	0	0	112.4	L357 L358 S359 G363	L357-V361 WeakPolarHBondContact O-CG2 3.47Å; L357-V361 PolarHBondContact O-N 2.95Å; L358-V361 PolarHBondContact O-N 3.07Å; S359-V361 VanDerWaalsContact C-N 3.3Å; S359-V361 PolarHBondContact O-N 2.89Å; V361-G363 VanDerWaalsContact C-N 3.32Å
362	E	66.9	Low	69.2	Low	148 Å²	148	68.6 Å²	68.6	69%	0.692	37%	0.374	S	S	*	.	H	α-helix	trans	-74.2	-23.8	179.8	-66.8	-176.7	168.2	0	0	112.6	L358 K364	L358-E362 WeakPolarHBondContact O-CB 3.35Å; L358-E362 WeakPolarHBondContact O-CG 3.44Å; L358-E362 PolarHBondContact O-N 2.94Å; E362-K364 VanDerWaalsContact C-N 3.28Å; E362-K364 PolarHBondContact O-N 3.34Å
363	G	57.4	Low	67.5	Low	21 Å²	21	69 Å²	69	22%	0.216	39%	0.392	C	S	.	.			trans	-68	77.3	172	0	0	0	0	0	112.9	S359 V361 D365 L366	S359-G363 PolarHBondContact O-N 2.91Å; V361-G363 VanDerWaalsContact C-N 3.32Å; G363-D365 VanDerWaalsContact C-N 3.35Å; G363-L366 WeakPolarHBondContact O-CG 3.33Å
364	K	52.2	Low	66.2	Low	179 Å²	179	73.2 Å²	73.2	78%	0.778	41%	0.411	S	S	*	.	S	Bend	trans	-77.5	-21.3	166.2	-72.6	-174.6	175.9	-179.6	0	113.1	E362	E362-K364 VanDerWaalsContact C-N 3.28Å; E362-K364 PolarHBondContact O-N 3.34Å
365	D	51.4	Low	65.3	Low	103 Å²	103	72 Å²	72	55%	0.551	41%	0.407	S	S	*	.			trans	-115.5	52.6	-179	-62.9	-52.8	0	0	0	111.9	G363 S367 M368 A369	G363-D365 VanDerWaalsContact C-N 3.35Å; D365-S367 PolarHBondContact O-N 3.34Å; D365-S367 VanDerWaalsContact O-N 3.1Å; D365-M368 HydrophobicContact CB-CE 4.18Å; D365-M368 PolarHBondContact O-N 3.06Å; D365-A369 PolarHBondContact O-N 2.85Å
366	L	51.6	Low	65.1	Low	20 Å²	20	68.1 Å²	68.1	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-56.6	-29.5	-176.1	-67.4	167.8	0	0	0	113.1	A314 G363 M368 A369	A314-L366 HydrophobicContact CB-CD2 3.72Å; G363-L366 WeakPolarHBondContact O-CG 3.33Å; L366-M368 PolarHBondContact O-N 2.92Å; L366-M368 VanDerWaalsContact O-N 3.14Å; L366-A369 PolarHBondContact O-N 3.46Å
367	S	48.8	Very low	65.1	Low	34 Å²	34	70.7 Å²	70.7	24%	0.238	40%	0.402	C	S	.	.	H	α-helix	trans	-65.4	-11.3	176.7	78.2	0	0	0	0	115.4	D365	D365-S367 PolarHBondContact O-N 3.34Å; D365-S367 VanDerWaalsContact O-N 3.1Å
368	M	47.7	Very low	65.3	Low	145 Å²	145	69.1 Å²	69.1	71%	0.714	39%	0.393	S	S	*	.	H	α-helix	trans	-114.2	-2.8	172	-61.6	-163.5	-61.3	0	0	113.3	D365 L366	D365-M368 HydrophobicContact CB-CE 4.18Å; D365-M368 PolarHBondContact O-N 3.06Å; L366-M368 PolarHBondContact O-N 2.92Å; L366-M368 VanDerWaalsContact O-N 3.14Å
369	A	51	Low	65.5	Low	28 Å²	28	66.4 Å²	66.4	23%	0.231	38%	0.378	C	S	.	.	H	α-helix	trans	-91.1	-6.6	-172.2	0	0	0	0	0	114.3	T311 A314 D365 L366	T311-A369 VanDerWaalsContact CB-O 3.23Å; T311-A369 WeakPolarHBondContact CB-O 3.47Å; T311-A369 WeakPolarHBondContact CG2-O 3.43Å; A314-A369 HydrophobicContact CB-CB 3.72Å; D365-A369 PolarHBondContact O-N 2.85Å; L366-A369 PolarHBondContact O-N 3.46Å
370	L	60.7	Low	65.8	Low	23 Å²	23	70.4 Å²	70.4	12%	0.12	40%	0.396	C	S	.	.	S	Bend	trans	-69.8	141.1	170	-77.4	165	0	0	0	110.4	E315 E318 S372 Q374 C376	E315-L370 HydrophobicContact CG-CD2 4.34Å; E318-L370 HydrophobicContact CB-CD2 4.28Å; E318-L370 HydrophobicContact CG-CD2 4.45Å; L370-S372 PolarHBondContact O-N 3.44Å; L370-Q374 HydrophobicContact CB-CB 4.19Å; L370-C376 HydrophobicContact CD1-CB 3.84Å
371	P	56.5	Low	66.3	Low	49 Å²	49	73.1 Å²	73.1	32%	0.318	41%	0.406	S	S	.	.	S	Bend	trans	-51	134.7	179.2	-30	36	0	0	0	113.3	E315 G373 Q374	E315-P371 HydrophobicContact CG-CG 4.35Å; E315-P371 VanDerWaalsContact OE1-CG 3.26Å; E315-P371 WeakPolarHBondContact OE1-CG 3.26Å; P371-G373 PolarHBondContact O-N 3.38Å; P371-G373 VanDerWaalsContact O-N 3.08Å; P371-Q374 PolarHBondContact O-N 3.27Å; P371-Q374 VanDerWaalsContact O-N 3.12Å
372	S	45.6	Very low	67.1	Low	137 Å²	137	68.8 Å²	68.8	96%	0.958	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.5	105.7	-168	-167.9	0	0	0	0	114.7	L370	L370-S372 PolarHBondContact O-N 3.44Å
373	G	55.3	Low	68.4	Low	76 Å²	76	64.4 Å²	64.4	78%	0.784	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.4	-8.6	173.8	0	0	0	0	0	116.3	P371 I375	P371-G373 PolarHBondContact O-N 3.38Å; P371-G373 VanDerWaalsContact O-N 3.08Å; G373-I375 PolarHBondContact O-N 3.45Å
374	Q	63.1	Low	70.2	Confident	129 Å²	129	66.2 Å²	66.2	60%	0.603	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-78.9	119.4	173.2	-66.5	-171.8	21.3	0	0	111.5	L370 P371	L370-Q374 HydrophobicContact CB-CB 4.19Å; P371-Q374 PolarHBondContact O-N 3.27Å; P371-Q374 VanDerWaalsContact O-N 3.12Å
375	I	70.1	Confident	72.1	Confident	77 Å²	77	57.7 Å²	57.7	40%	0.395	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-87	125.5	172.1	-54.1	174.1	0	0	0	107.9	G373 Q379 Q380	G373-I375 PolarHBondContact O-N 3.45Å; I375-Q379 HydrophobicContact CG2-CB 3.76Å; I375-Q379 HydrophobicContact CG2-CG 4.01Å; I375-Q380 HydrophobicContact CB-CG 3.99Å; I375-Q380 HydrophobicContact CG2-CG 3.63Å; I375-Q380 PolarHBondContact O-NE2 3.46Å
376	C	83	Confident	74.1	Confident	14 Å²	14	53.2 Å²	53.2	10%	0.095	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-56.5	147.5	175.2	62	0	0	0	0	111.9	E318 L370 D378 Q379 Q380	E318-C376 VanDerWaalsContact OE2-CB 3.3Å; E318-C376 WeakPolarHBondContact OE2-CB 3.39Å; L370-C376 HydrophobicContact CD1-CB 3.84Å; C376-D378 VanDerWaalsContact C-N 3.26Å; C376-D378 PolarHBondContact O-N 3.43Å; C376-Q379 PolarHBondContact O-N 2.91Å; C376-Q379 WeakPolarHBondContact SG-CB 3.46Å; C376-Q380 PolarHBondContact O-N 3.16Å
377	H	87.8	Confident	76	Confident	67 Å²	67	54.1 Å²	54.1	31%	0.31	32%	0.315	S	S	.	.	H	α-helix	trans	-51.6	-45.6	-176	172.9	-95	0	0	0	112.3	E318 Q379 Q380 R381	E318-H377 WeakPolarHBondContact OE1-CB 3.29Å; E318-H377 PolarHBondContact OE1-N 3.19Å; E318-H377 PolarHBondContact OE2-N 2.94Å; H377-Q379 PolarHBondContact O-N 2.85Å; H377-Q380 WeakPolarHBondContact O-CB 3.45Å; H377-Q380 PolarHBondContact O-N 2.95Å; H377-Q380 VanDerWaalsContact O-N 3.13Å; H377-R381 VanDerWaalsContact CE1-CG 3.43Å; H377-R381 WeakPolarHBondContact CE1-CG 3.23Å; H377-R381 WeakPolarHBondContact O-CG 3.2Å; H377-R381 PolarHBondContact O-N 3.37Å
378	D	90.4	Very high	77.9	Confident	13 Å²	13	53.7 Å²	53.7	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-33	-174.4	-68.6	2.7	0	0	0	112.9	R321 C376 Q380 R381 L382 I420 A424	R321-D378 IonicContact CZ-OD2 3.73Å; R321-D378 IonicContact NE-OD1 3.54Å; R321-D378 IonicContact NE-OD2 2.74Å; R321-D378 PolarHBondContact NE-OD2 3.17Å; R321-D378 IonicContact NH2-OD2 2.74Å; R321-D378 PolarHBondContact NH2-OD2 3.37Å; C376-D378 VanDerWaalsContact C-N 3.26Å; C376-D378 PolarHBondContact O-N 3.43Å; D378-Q380 VanDerWaalsContact C-N 3.34Å; D378-R381 PolarHBondContact O-N 3.46Å; D378-L382 WeakPolarHBondContact O-CB 3.4Å; D378-L382 VanDerWaalsContact O-CG 3.29Å; D378-L382 WeakPolarHBondContact O-CG 3.41Å; D378-L382 PolarHBondContact O-N 3.09Å; D378-I420 HydrophobicContact CB-CG2 4.03Å; D378-A424 HydrophobicContact CB-CB 4.41Å; D378-A424 WeakPolarHBondContact OD2-CB 3.33Å
379	Q	91.1	Very high	79.8	Confident	22 Å²	22	47 Å²	47	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-43.9	170.9	-169.2	-167.7	-55.7	0	0	110.1	I375 C376 H377 R381 L382 E383 V428 M432	I375-Q379 HydrophobicContact CG2-CB 3.76Å; I375-Q379 HydrophobicContact CG2-CG 4.01Å; C376-Q379 PolarHBondContact O-N 2.91Å; C376-Q379 WeakPolarHBondContact SG-CB 3.46Å; H377-Q379 PolarHBondContact O-N 2.85Å; Q379-R381 VanDerWaalsContact C-N 3.34Å; Q379-R381 PolarHBondContact O-N 3.35Å; Q379-L382 PolarHBondContact O-N 3.23Å; Q379-E383 PolarHBondContact NE2-OE1 3.32Å; Q379-E383 WeakPolarHBondContact O-CB 3.42Å; Q379-E383 VanDerWaalsContact O-CG 3.28Å; Q379-E383 WeakPolarHBondContact O-CG 3.23Å; Q379-E383 PolarHBondContact O-N 2.91Å; Q379-V428 HydrophobicContact CB-CG1 3.87Å; Q379-M432 HydrophobicContact CG-CG 3.85Å; Q379-M432 HydrophobicContact CG-SD 3.53Å; Q379-M432 VanDerWaalsContact CG-SD 3.53Å
380	Q	91	Very high	81.5	Confident	97 Å²	97	47 Å²	47	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-40.5	177.1	-56.8	179.6	26.5	0	0	111.8	I375 C376 H377 D378 E383 V384	I375-Q380 HydrophobicContact CB-CG 3.99Å; I375-Q380 HydrophobicContact CG2-CG 3.63Å; I375-Q380 PolarHBondContact O-NE2 3.46Å; C376-Q380 PolarHBondContact O-N 3.16Å; H377-Q380 WeakPolarHBondContact O-CB 3.45Å; H377-Q380 PolarHBondContact O-N 2.95Å; H377-Q380 VanDerWaalsContact O-N 3.13Å; D378-Q380 VanDerWaalsContact C-N 3.34Å; Q380-E383 PolarHBondContact O-N 3.15Å; Q380-V384 WeakPolarHBondContact O-CG2 3.48Å; Q380-V384 PolarHBondContact O-N 3.41Å; Q380-V384 VanDerWaalsContact O-N 3.11Å
381	R	94	Very high	82.5	Confident	63 Å²	63	52.5 Å²	52.5	24%	0.238	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-47.4	175.8	-65.9	-53	-59.8	141.8	2.5	111.5	H377 D378 Q379 E383 V384 I385 E416 I420	H377-R381 VanDerWaalsContact CE1-CG 3.43Å; H377-R381 WeakPolarHBondContact CE1-CG 3.23Å; H377-R381 WeakPolarHBondContact O-CG 3.2Å; H377-R381 PolarHBondContact O-N 3.37Å; D378-R381 PolarHBondContact O-N 3.46Å; Q379-R381 VanDerWaalsContact C-N 3.34Å; Q379-R381 PolarHBondContact O-N 3.35Å; R381-E383 VanDerWaalsContact C-N 3.3Å; R381-E383 PolarHBondContact O-N 2.81Å; R381-V384 PolarHBondContact O-N 3.29Å; R381-V384 VanDerWaalsContact O-N 3.17Å; R381-I385 HydrophobicContact CB-CD1 4.32Å; R381-I385 WeakPolarHBondContact O-CB 3.29Å; R381-I385 WeakPolarHBondContact O-CD1 3.45Å; R381-I385 WeakPolarHBondContact O-CG1 3.49Å; R381-I385 PolarHBondContact O-N 2.97Å; R381-E416 IonicContact CZ-OE1 3.18Å; R381-E416 VanDerWaalsContact CZ-OE1 3.23Å; R381-E416 IonicContact CZ-OE2 3.67Å; R381-E416 IonicContact NE-OE1 3.62Å; R381-E416 PolarHBondContact NE-OE1 3.35Å; R381-E416 IonicContact NE-OE2 3.6Å; R381-E416 IonicContact NH2-OE1 3.82Å; R381-E416 PolarHBondContact NH2-OE1 2.93Å; R381-E416 IonicContact NH2-OE2 3.87Å; R381-E416 PolarHBondContact NH2-OE2 3.13Å; R381-I420 HydrophobicContact CB-CD1 3.65Å
382	L	94.6	Very high	83.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-40.3	174.9	-71.6	172.4	0	0	0	112.3	D378 Q379 V384 I385 F386 L417 I420 V428 M432	D378-L382 WeakPolarHBondContact O-CB 3.4Å; D378-L382 VanDerWaalsContact O-CG 3.29Å; D378-L382 WeakPolarHBondContact O-CG 3.41Å; D378-L382 PolarHBondContact O-N 3.09Å; Q379-L382 PolarHBondContact O-N 3.23Å; L382-V384 PolarHBondContact O-N 2.92Å; L382-I385 PolarHBondContact O-N 3.48Å; L382-F386 HydrophobicContact CB-CD2 4.18Å; L382-F386 HydrophobicContact CB-CE2 4.04Å; L382-F386 HydrophobicContact CD2-CE2 3.96Å; L382-F386 HydrophobicContact CD2-CZ 4.23Å; L382-F386 HydrophobicContact CG-CE2 4.47Å; L382-F386 WeakPolarHBondContact O-CB 3.44Å; L382-F386 WeakPolarHBondContact O-CD2 3.28Å; L382-F386 WeakPolarHBondContact O-CG 3.39Å; L382-F386 PolarHBondContact O-N 2.92Å; L382-L417 HydrophobicContact CD2-CD1 3.57Å; L382-I420 HydrophobicContact CD1-CG2 3.85Å; L382-I420 HydrophobicContact CD2-CB 4.27Å; L382-I420 HydrophobicContact CD2-CD1 4.48Å; L382-I420 HydrophobicContact CD2-CG2 3.81Å; L382-I420 HydrophobicContact CG-CG2 3.76Å; L382-V428 HydrophobicContact CD1-CG1 4.48Å; L382-M432 HydrophobicContact CB-CB 4.32Å; L382-M432 HydrophobicContact CB-CE 4.17Å; L382-M432 HydrophobicContact CB-CG 4.1Å; L382-M432 HydrophobicContact CD1-CB 3.86Å; L382-M432 HydrophobicContact CD1-CG 3.89Å
383	E	93.4	Very high	85	Confident	56 Å²	56	48 Å²	48	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-45.2	175	-77.4	179	-169.4	0	0	112.3	Q379 Q380 R381 A387 M432 R435	Q379-E383 PolarHBondContact NE2-OE1 3.32Å; Q379-E383 WeakPolarHBondContact O-CB 3.42Å; Q379-E383 VanDerWaalsContact O-CG 3.28Å; Q379-E383 WeakPolarHBondContact O-CG 3.23Å; Q379-E383 PolarHBondContact O-N 2.91Å; Q380-E383 PolarHBondContact O-N 3.15Å; R381-E383 VanDerWaalsContact C-N 3.3Å; R381-E383 PolarHBondContact O-N 2.81Å; E383-A387 WeakPolarHBondContact O-CB 3.45Å; E383-A387 PolarHBondContact O-N 3.34Å; E383-A387 VanDerWaalsContact O-N 3.15Å; E383-M432 HydrophobicContact CB-CE 4.37Å; E383-M432 HydrophobicContact CG-CE 3.44Å; E383-M432 VanDerWaalsContact CG-CE 3.44Å; E383-M432 HydrophobicContact CG-SD 3.97Å; E383-R435 IonicContact OE1-NH1 3.24Å
384	V	94.1	Very high	85.8	Confident	58 Å²	58	47.7 Å²	47.7	35%	0.352	23%	0.233	S	C	.	.	H	α-helix	trans	-66.3	-49.7	175.9	172.8	0	0	0	0	111.1	Q380 R381 L382 A387 D388	Q380-V384 WeakPolarHBondContact O-CG2 3.48Å; Q380-V384 PolarHBondContact O-N 3.41Å; Q380-V384 VanDerWaalsContact O-N 3.11Å; R381-V384 PolarHBondContact O-N 3.29Å; R381-V384 VanDerWaalsContact O-N 3.17Å; L382-V384 PolarHBondContact O-N 2.92Å; V384-A387 PolarHBondContact O-N 3.47Å; V384-D388 WeakPolarHBondContact CG1-OD2 3.42Å; V384-D388 WeakPolarHBondContact O-CB 3.41Å; V384-D388 PolarHBondContact O-N 3.01Å
385	I	93.8	Very high	86.1	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-52.2	-177.4	-65.1	158.7	0	0	0	110.7	R381 L382 A387 D388 L389 Y413 E416 L417 I420	R381-I385 HydrophobicContact CB-CD1 4.32Å; R381-I385 WeakPolarHBondContact O-CB 3.29Å; R381-I385 WeakPolarHBondContact O-CD1 3.45Å; R381-I385 WeakPolarHBondContact O-CG1 3.49Å; R381-I385 PolarHBondContact O-N 2.97Å; L382-I385 PolarHBondContact O-N 3.48Å; I385-A387 PolarHBondContact O-N 2.71Å; I385-D388 PolarHBondContact O-N 3.37Å; I385-L389 HydrophobicContact CG2-CD1 3.71Å; I385-L389 HydrophobicContact CG2-CG 4.36Å; I385-L389 WeakPolarHBondContact O-CB 3.14Å; I385-L389 VanDerWaalsContact O-CG 3.32Å; I385-L389 WeakPolarHBondContact O-CG 3.39Å; I385-L389 PolarHBondContact O-N 3.04Å; I385-Y413 HydrophobicContact CB-CD1 4.42Å; I385-Y413 HydrophobicContact CG1-CD1 4.01Å; I385-Y413 HydrophobicContact CG2-CD1 4.43Å; I385-E416 HydrophobicContact CD1-CB 4.39Å; I385-E416 HydrophobicContact CD1-CG 3.94Å; I385-L417 HydrophobicContact CG2-CB 4.07Å; I385-L417 HydrophobicContact CG2-CD1 4.23Å; I385-L417 HydrophobicContact CG2-CD2 4.36Å; I385-L417 HydrophobicContact CG2-CG 4.44Å; I385-I420 HydrophobicContact CD1-CD1 3.74Å
386	F	93.4	Very high	85.7	Confident	10 Å²	10	42.7 Å²	42.7	4%	0.044	22%	0.215	C	C	.	.	H	α-helix	trans	-64	-40.6	179.8	-69.7	-49.2	0	0	0	111.8	L382 A390 L417 M432 M467	L382-F386 HydrophobicContact CB-CD2 4.18Å; L382-F386 HydrophobicContact CB-CE2 4.04Å; L382-F386 HydrophobicContact CD2-CE2 3.96Å; L382-F386 HydrophobicContact CD2-CZ 4.23Å; L382-F386 HydrophobicContact CG-CE2 4.47Å; L382-F386 WeakPolarHBondContact O-CB 3.44Å; L382-F386 WeakPolarHBondContact O-CD2 3.28Å; L382-F386 WeakPolarHBondContact O-CG 3.39Å; L382-F386 PolarHBondContact O-N 2.92Å; F386-A390 VanDerWaalsContact O-CB 3.23Å; F386-A390 WeakPolarHBondContact O-CB 3.47Å; F386-A390 PolarHBondContact O-N 3.26Å; F386-L417 HydrophobicContact CE1-CD1 3.84Å; F386-L417 HydrophobicContact CE1-CD2 4.21Å; F386-L417 HydrophobicContact CZ-CD1 3.85Å; F386-M432 HydrophobicContact CD2-CE 4.17Å; F386-M432 HydrophobicContact CE2-CB 4.23Å; F386-M467 HydrophobicContact CE1-CE 3.84Å; F386-M467 HydrophobicContact CZ-CE 3.99Å
387	A	90.9	Very high	84.5	Confident	39 Å²	39	48.1 Å²	48.1	32%	0.322	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-34.1	178.1	0	0	0	0	0	113.1	E383 V384 I385 R391	E383-A387 WeakPolarHBondContact O-CB 3.45Å; E383-A387 PolarHBondContact O-N 3.34Å; E383-A387 VanDerWaalsContact O-N 3.15Å; V384-A387 PolarHBondContact O-N 3.47Å; I385-A387 PolarHBondContact O-N 2.71Å; A387-R391 WeakPolarHBondContact O-CB 3.13Å; A387-R391 WeakPolarHBondContact O-CG 3.29Å; A387-R391 PolarHBondContact O-N 3.4Å; A387-R391 PolarHBondContact O-NE 2.95Å; A387-R391 PolarHBondContact O-NH2 2.69Å
388	D	88.4	Confident	82.8	Confident	25 Å²	25	51.8 Å²	51.8	13%	0.134	26%	0.257	C	S	.	.	H	α-helix	trans	-73.5	-42.4	175.4	-78	-27.5	0	0	0	111.4	V384 I385 R391 R392 Y413	V384-D388 WeakPolarHBondContact CG1-OD2 3.42Å; V384-D388 WeakPolarHBondContact O-CB 3.41Å; V384-D388 PolarHBondContact O-N 3.01Å; I385-D388 PolarHBondContact O-N 3.37Å; D388-R391 PolarHBondContact O-N 2.73Å; D388-R391 IonicContact OD1-CZ 3.99Å; D388-R391 IonicContact OD1-NH1 2.73Å; D388-R391 PolarHBondContact OD1-NH1 2.89Å; D388-R391 VanDerWaalsContact OD1-NH1 3.12Å; D388-R391 IonicContact OD1-NH2 2.77Å; D388-R391 PolarHBondContact OD1-NH2 3.35Å; D388-R392 WeakPolarHBondContact O-CG 3.43Å; D388-R392 PolarHBondContact O-N 2.94Å; D388-Y413 HydrophobicContact CB-CE1 4.05Å; D388-Y413 VanDerWaalsContact OD2-CE1 3.31Å; D388-Y413 WeakPolarHBondContact OD2-CE1 3.43Å; D388-Y413 VanDerWaalsContact OD2-CZ 3.23Å; D388-Y413 PolarHBondContact OD2-OH 2.82Å
389	L	86.9	Confident	80.7	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-41.1	177.3	-69.5	173.9	0	0	0	112.2	I385 R391 R392 K393 I410 L414 L417 L444	I385-L389 HydrophobicContact CG2-CD1 3.71Å; I385-L389 HydrophobicContact CG2-CG 4.36Å; I385-L389 WeakPolarHBondContact O-CB 3.14Å; I385-L389 VanDerWaalsContact O-CG 3.32Å; I385-L389 WeakPolarHBondContact O-CG 3.39Å; I385-L389 PolarHBondContact O-N 3.04Å; L389-R391 PolarHBondContact O-N 3.12Å; L389-R392 PolarHBondContact O-N 3.24Å; L389-K393 PolarHBondContact O-N 3.23Å; L389-I410 HydrophobicContact CD2-CG2 4.24Å; L389-L414 HydrophobicContact CD1-CD2 3.89Å; L389-L414 HydrophobicContact CD2-CD2 4.35Å; L389-L417 HydrophobicContact CD1-CD2 4.19Å; L389-L444 HydrophobicContact CD1-CD1 3.84Å
390	A	86.6	Confident	78.7	Confident	29 Å²	29	61.6 Å²	61.6	24%	0.24	31%	0.305	C	S	.	.	H	α-helix	trans	-61.5	-42.6	174	0	0	0	0	0	111.9	F386 R392 K393 D394 A443	F386-A390 VanDerWaalsContact O-CB 3.23Å; F386-A390 WeakPolarHBondContact O-CB 3.47Å; F386-A390 PolarHBondContact O-N 3.26Å; A390-R392 PolarHBondContact O-N 3.31Å; A390-K393 WeakPolarHBondContact O-CB 3.41Å; A390-K393 PolarHBondContact O-N 3.01Å; A390-D394 PolarHBondContact O-N 3.24Å; A390-A443 HydrophobicContact CB-CB 4.19Å
391	R	83.4	Confident	76.4	Confident	138 Å²	138	64.7 Å²	64.7	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-39.5	173.5	-82.4	177	-80.8	147.1	-3	112.6	A387 D388 L389 K393 D394 D395	A387-R391 WeakPolarHBondContact O-CB 3.13Å; A387-R391 WeakPolarHBondContact O-CG 3.29Å; A387-R391 PolarHBondContact O-N 3.4Å; A387-R391 PolarHBondContact O-NE 2.95Å; A387-R391 PolarHBondContact O-NH2 2.69Å; D388-R391 PolarHBondContact O-N 2.73Å; D388-R391 IonicContact OD1-CZ 3.99Å; D388-R391 IonicContact OD1-NH1 2.73Å; D388-R391 PolarHBondContact OD1-NH1 2.89Å; D388-R391 VanDerWaalsContact OD1-NH1 3.12Å; D388-R391 IonicContact OD1-NH2 2.77Å; D388-R391 PolarHBondContact OD1-NH2 3.35Å; L389-R391 PolarHBondContact O-N 3.12Å; R391-K393 PolarHBondContact O-N 3.28Å; R391-D394 PolarHBondContact O-N 3.05Å; R391-D395 PolarHBondContact O-N 3.48Å
392	R	76	Confident	74	Confident	49 Å²	49	64.8 Å²	64.8	19%	0.185	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-34.5	176.4	-73.7	177.5	-166.1	-107.7	2.2	113.2	D388 L389 A390 D394 D395 A396 D406 V409 Y447	D388-R392 WeakPolarHBondContact O-CG 3.43Å; D388-R392 PolarHBondContact O-N 2.94Å; L389-R392 PolarHBondContact O-N 3.24Å; A390-R392 PolarHBondContact O-N 3.31Å; R392-D394 VanDerWaalsContact C-N 3.35Å; R392-D395 PolarHBondContact O-N 2.97Å; R392-A396 VanDerWaalsContact O-CB 3.26Å; R392-A396 WeakPolarHBondContact O-CB 3.5Å; R392-A396 PolarHBondContact O-N 3.46Å; R392-D406 IonicContact CZ-OD2 3.49Å; R392-D406 IonicContact NH1-OD2 2.69Å; R392-D406 PolarHBondContact NH1-OD2 2.92Å; R392-V409 VanDerWaalsContact NH2-CG1 3.34Å; R392-Y447 HydrophobicContact CB-CE2 4.28Å
393	K	77.3	Confident	72.1	Confident	42 Å²	42	67.1 Å²	67.1	18%	0.183	34%	0.339	C	S	.	.	H	α-helix	trans	-57.1	-48.7	169.8	161.2	-172.2	155.9	-83.3	0	110.8	L389 A390 R391 A396 Q397 A446 Y447 M450	L389-K393 PolarHBondContact O-N 3.23Å; A390-K393 WeakPolarHBondContact O-CB 3.41Å; A390-K393 PolarHBondContact O-N 3.01Å; R391-K393 PolarHBondContact O-N 3.28Å; K393-A396 PolarHBondContact O-N 3.21Å; K393-Q397 PolarHBondContact O-N 3.49Å; K393-A446 HydrophobicContact CD-CB 3.72Å; K393-Y447 HydrophobicContact CB-CD2 3.99Å; K393-M450 HydrophobicContact CG-CE 4.09Å; K393-M450 HydrophobicContact CG-SD 4.16Å
394	D	73.3	Confident	70.1	Confident	69 Å²	69	73.7 Å²	73.7	37%	0.369	36%	0.363	S	S	.	.	H	α-helix	trans	-69.8	-35.7	-177.6	-60	-18.8	0	0	0	111.8	A390 R391 R392 Q397 Q398	A390-D394 PolarHBondContact O-N 3.24Å; R391-D394 PolarHBondContact O-N 3.05Å; R392-D394 VanDerWaalsContact C-N 3.35Å; D394-Q397 PolarHBondContact O-N 2.84Å; D394-Q398 WeakPolarHBondContact O-CG 3.4Å
395	D	69.8	Low	68.2	Low	74 Å²	74	79.4 Å²	79.4	40%	0.396	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-37.1	170.6	-95.9	-40.6	0	0	0	112.6	R391 R392 Q397 Q398 R399	R391-D395 PolarHBondContact O-N 3.48Å; R392-D395 PolarHBondContact O-N 2.97Å; D395-Q397 VanDerWaalsContact C-N 3.31Å; D395-Q397 PolarHBondContact O-N 3.47Å; D395-Q398 CarbonylContact O-C 3.6Å; D395-Q398 WeakPolarHBondContact O-CA 3.23Å; D395-Q398 PolarHBondContact O-N 3.03Å; D395-R399 PolarHBondContact O-N 3.13Å; D395-R399 IonicContact OD1-NH1 3.09Å; D395-R399 PolarHBondContact OD1-NH1 3.37Å
396	A	60.7	Low	67.5	Low	27 Å²	27	80.6 Å²	80.6	22%	0.223	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-32.9	178.4	0	0	0	0	0	112.4	R392 K393 Q398 L403	R392-A396 VanDerWaalsContact O-CB 3.26Å; R392-A396 WeakPolarHBondContact O-CB 3.5Å; R392-A396 PolarHBondContact O-N 3.46Å; K393-A396 PolarHBondContact O-N 3.21Å; A396-Q398 PolarHBondContact O-N 3.42Å; A396-L403 HydrophobicContact CB-CD1 4.32Å; A396-L403 HydrophobicContact CB-CD2 4.12Å
397	Q	57.8	Low	67	Low	129 Å²	129	82.9 Å²	82.9	60%	0.603	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19	169.3	-67	-168.4	-30.7	0	0	113.4	K393 D394 D395 M450	K393-Q397 PolarHBondContact O-N 3.49Å; D394-Q397 PolarHBondContact O-N 2.84Å; D395-Q397 VanDerWaalsContact C-N 3.31Å; D395-Q397 PolarHBondContact O-N 3.47Å; Q397-M450 HydrophobicContact CG-CE 3.98Å; Q397-M450 HydrophobicContact CG-SD 3.52Å; Q397-M450 VanDerWaalsContact CG-SD 3.52Å
398	Q	51	Low	66.8	Low	144 Å²	144	82.7 Å²	82.7	67%	0.673	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-15.9	-168.4	-66.6	-175.7	23.9	0	0	115.4	D394 D395 A396	D394-Q398 WeakPolarHBondContact O-CG 3.4Å; D395-Q398 CarbonylContact O-C 3.6Å; D395-Q398 WeakPolarHBondContact O-CA 3.23Å; D395-Q398 PolarHBondContact O-N 3.03Å; A396-Q398 PolarHBondContact O-N 3.42Å
399	R	47.8	Very low	66.8	Low	154 Å²	154	84.8 Å²	84.8	58%	0.581	42%	0.418	S	S	*	.			trans	-145.8	131.1	-175.7	-64.9	-172.3	-179.7	116.7	1.5	115.4	D395	D395-R399 PolarHBondContact O-N 3.13Å; D395-R399 IonicContact OD1-NH1 3.09Å; D395-R399 PolarHBondContact OD1-NH1 3.37Å
400	S	48.4	Very low	66.9	Low	86 Å²	86	84.6 Å²	84.6	60%	0.601	42%	0.417	S	S	*	.	S	Bend	trans	-92.3	-5	-176.2	52.4	0	0	0	0	117.1
401	W	43.4	Very low	67.2	Low	163 Å²	163	87.2 Å²	87.2	62%	0.617	42%	0.421	S	S	*	.	S	Bend	trans	-114.4	-20.5	-169.3	-73.1	89.4	0	0	0	116.1	H75 Y85	H75-W401 AromaticContact CE1-CH2 3.69Å; H75-W401 AromaticContact CE1-CZ2 3.71Å; H75-W401 AromaticContact ND1-CH2 3.83Å; H75-W401 AromaticContact NE2-CZ2 3.86Å; Y85-W401 VanDerWaalsContact OH-CH2 3.23Å; Y85-W401 WeakPolarHBondContact OH-CH2 3.48Å
402	A	44	Very low	67.7	Low	64 Å²	64	84.3 Å²	84.3	53%	0.529	42%	0.421	S	S	.	.	S	Bend	trans	-86.2	-20.3	-175.3	0	0	0	0	0	113.9	Y404 E405	A402-Y404 PolarHBondContact O-N 3.48Å; A402-Y404 VanDerWaalsContact O-N 3.13Å; A402-E405 PolarHBondContact O-N 3.02Å
403	L	52.7	Low	68.5	Low	50 Å²	50	84.2 Å²	84.2	26%	0.262	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-3.4	-171.8	-65.5	167.1	0	0	0	115	A396 R453	A396-L403 HydrophobicContact CB-CD1 4.32Å; A396-L403 HydrophobicContact CB-CD2 4.12Å; L403-R453 PolarHBondContact O-NH1 2.75Å
404	Y	52.2	Low	69.3	Low	194 Å²	194	82.2 Å²	82.2	76%	0.761	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	-17.2	179.7	-65.1	-71.3	0	0	0	113.8	A402	A402-Y404 PolarHBondContact O-N 3.48Å; A402-Y404 VanDerWaalsContact O-N 3.13Å
405	E	55.4	Low	70.4	Confident	177 Å²	177	83.4 Å²	83.4	83%	0.827	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-9.4	175.8	-67.4	-165.8	162.1	0	0	112.8	A402	A402-E405 PolarHBondContact O-N 3.02Å
406	D	77.1	Confident	71.7	Confident	26 Å²	26	82.6 Å²	82.6	14%	0.139	41%	0.409	C	S	.	.			trans	-106.4	-0.7	-170.1	83	-26.5	0	0	0	115.6	R392 G408 V409 I410 R453	R392-D406 IonicContact CZ-OD2 3.49Å; R392-D406 IonicContact NH1-OD2 2.69Å; R392-D406 PolarHBondContact NH1-OD2 2.92Å; D406-G408 VanDerWaalsContact C-N 3.31Å; D406-G408 PolarHBondContact O-N 3.12Å; D406-V409 WeakPolarHBondContact O-CA 3.33Å; D406-V409 WeakPolarHBondContact O-CB 3.23Å; D406-V409 PolarHBondContact O-N 2.7Å; D406-I410 VanDerWaalsContact CG-CD1 3.45Å; D406-I410 PolarHBondContact O-N 3.45Å; D406-I410 WeakPolarHBondContact OD1-CD1 3.38Å; D406-I410 WeakPolarHBondContact OD2-CD1 3.46Å; D406-R453 IonicContact OD1-NH1 3Å; D406-R453 PolarHBondContact OD1-NH1 2.65Å; D406-R453 VanDerWaalsContact OD1-NH1 3.14Å; D406-R453 IonicContact OD1-NH2 2.71Å
407	E	83.3	Confident	73.4	Confident	57 Å²	57	81.3 Å²	81.3	27%	0.266	40%	0.398	S	S	.	.	H	α-helix	trans	-55.3	-45.3	-176.2	-169.8	-170.3	159.2	0	0	112	V409 I410 R411 S455 L456	E407-V409 PolarHBondContact O-N 3.22Å; E407-I410 PolarHBondContact O-N 3.46Å; E407-R411 VanDerWaalsContact CD-NH2 3.27Å; E407-R411 VanDerWaalsContact O-CB 3.26Å; E407-R411 WeakPolarHBondContact O-CB 3.47Å; E407-R411 PolarHBondContact O-N 2.95Å; E407-R411 IonicContact OE1-CZ 2.85Å; E407-R411 IonicContact OE1-NH2 4Å; E407-R411 PolarHBondContact OE1-NH2 3.26Å; E407-S455 WeakPolarHBondContact OE1-CB 3.28Å; E407-S455 PolarHBondContact OE1-OG 3.25Å; E407-L456 HydrophobicContact CG-CD1 3.98Å; E407-L456 HydrophobicContact CG-CD2 4.18Å; E407-L456 HydrophobicContact CG-CG 4.1Å
408	G	86.6	Confident	75.2	Confident	35 Å²	35	76.9 Å²	76.9	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-32.8	177.9	0	0	0	0	0	112.8	D406 C412	D406-G408 VanDerWaalsContact C-N 3.31Å; D406-G408 PolarHBondContact O-N 3.12Å; G408-C412 PolarHBondContact O-N 3.15Å; G408-C412 VanDerWaalsContact O-N 3.16Å; G408-C412 PolarHBondContact O-SG 2.9Å
409	V	88.7	Confident	77.4	Confident	70 Å²	70	74.1 Å²	74.1	42%	0.424	37%	0.366	S	S	.	.	H	α-helix	trans	-73.2	-47.6	177.8	-175.4	0	0	0	0	110.2	R392 D406 E407 R411 C412 Y413	R392-V409 VanDerWaalsContact NH2-CG1 3.34Å; D406-V409 WeakPolarHBondContact O-CA 3.33Å; D406-V409 WeakPolarHBondContact O-CB 3.23Å; D406-V409 PolarHBondContact O-N 2.7Å; E407-V409 PolarHBondContact O-N 3.22Å; V409-R411 VanDerWaalsContact C-N 3.27Å; V409-R411 PolarHBondContact O-N 2.97Å; V409-C412 PolarHBondContact O-N 2.96Å; V409-Y413 HydrophobicContact CG1-CD2 3.91Å; V409-Y413 HydrophobicContact CG1-CE2 3.62Å; V409-Y413 WeakPolarHBondContact O-CD2 3.2Å; V409-Y413 PolarHBondContact O-N 3.28Å; V409-Y413 VanDerWaalsContact O-N 3.09Å
410	I	89.3	Confident	79.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-40.9	176	-59.6	159.1	0	0	0	110.4	L389 D406 E407 C412 Y413 L414 Y447 L456	L389-I410 HydrophobicContact CD2-CG2 4.24Å; D406-I410 VanDerWaalsContact CG-CD1 3.45Å; D406-I410 PolarHBondContact O-N 3.45Å; D406-I410 WeakPolarHBondContact OD1-CD1 3.38Å; D406-I410 WeakPolarHBondContact OD2-CD1 3.46Å; E407-I410 PolarHBondContact O-N 3.46Å; I410-C412 PolarHBondContact O-N 3.12Å; I410-Y413 WeakPolarHBondContact O-CB 3.22Å; I410-Y413 PolarHBondContact O-N 3.41Å; I410-Y413 VanDerWaalsContact O-N 3.16Å; I410-L414 HydrophobicContact CG2-CD1 3.91Å; I410-L414 HydrophobicContact CG2-CG 4.12Å; I410-L414 WeakPolarHBondContact O-CG 3.39Å; I410-L414 PolarHBondContact O-N 3.49Å; I410-Y447 WeakPolarHBondContact CD1-OH 3.46Å; I410-L456 HydrophobicContact CB-CD1 4.01Å; I410-L456 HydrophobicContact CB-CD2 4.36Å; I410-L456 HydrophobicContact CD1-CD1 4.04Å; I410-L456 HydrophobicContact CG2-CD1 3.84Å; I410-L456 HydrophobicContact CG2-CD2 4.17Å
411	R	92.4	Very high	81.9	Confident	84 Å²	84	63.3 Å²	63.3	32%	0.317	31%	0.312	S	S	.	.	H	α-helix	trans	-54.9	-51	175.4	-170.7	-178.8	-57.7	124.8	2.6	111.2	E407 V409 Y413 L414 E415 L456 L459	E407-R411 VanDerWaalsContact CD-NH2 3.27Å; E407-R411 VanDerWaalsContact O-CB 3.26Å; E407-R411 WeakPolarHBondContact O-CB 3.47Å; E407-R411 PolarHBondContact O-N 2.95Å; E407-R411 IonicContact OE1-CZ 2.85Å; E407-R411 IonicContact OE1-NH2 4Å; E407-R411 PolarHBondContact OE1-NH2 3.26Å; V409-R411 VanDerWaalsContact C-N 3.27Å; V409-R411 PolarHBondContact O-N 2.97Å; R411-Y413 VanDerWaalsContact C-N 3.34Å; R411-Y413 PolarHBondContact O-N 3.17Å; R411-L414 PolarHBondContact O-N 3.11Å; R411-L414 VanDerWaalsContact O-N 3.14Å; R411-E415 WeakPolarHBondContact CD-OE1 3.34Å; R411-E415 HydrophobicContact CG-CG 4.24Å; R411-E415 VanDerWaalsContact CG-OE1 3.26Å; R411-E415 WeakPolarHBondContact CG-OE1 3.31Å; R411-E415 WeakPolarHBondContact O-CB 3.15Å; R411-E415 VanDerWaalsContact O-CG 3.32Å; R411-E415 WeakPolarHBondContact O-CG 3.3Å; R411-E415 PolarHBondContact O-N 2.98Å; R411-L456 HydrophobicContact CB-CD2 3.99Å; R411-L459 HydrophobicContact CG-CD1 3.68Å
412	C	93.4	Very high	84.3	Confident	77 Å²	77	59.7 Å²	59.7	52%	0.52	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-40.8	176.5	-65.4	0	0	0	0	112.8	G408 V409 I410 L414 E416	G408-C412 PolarHBondContact O-N 3.15Å; G408-C412 VanDerWaalsContact O-N 3.16Å; G408-C412 PolarHBondContact O-SG 2.9Å; V409-C412 PolarHBondContact O-N 2.96Å; I410-C412 PolarHBondContact O-N 3.12Å; C412-L414 PolarHBondContact O-N 2.9Å; C412-E416 VanDerWaalsContact O-CB 3.24Å; C412-E416 WeakPolarHBondContact O-CB 2.98Å; C412-E416 PolarHBondContact O-N 2.86Å
413	Y	93.7	Very high	86.7	Confident	47 Å²	47	59 Å²	59	18%	0.184	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-38.5	174.7	-81.1	-75.6	0	0	0	112.8	I385 D388 V409 I410 R411 L417	I385-Y413 HydrophobicContact CB-CD1 4.42Å; I385-Y413 HydrophobicContact CG1-CD1 4.01Å; I385-Y413 HydrophobicContact CG2-CD1 4.43Å; D388-Y413 HydrophobicContact CB-CE1 4.05Å; D388-Y413 VanDerWaalsContact OD2-CE1 3.31Å; D388-Y413 WeakPolarHBondContact OD2-CE1 3.43Å; D388-Y413 VanDerWaalsContact OD2-CZ 3.23Å; D388-Y413 PolarHBondContact OD2-OH 2.82Å; V409-Y413 HydrophobicContact CG1-CD2 3.91Å; V409-Y413 HydrophobicContact CG1-CE2 3.62Å; V409-Y413 WeakPolarHBondContact O-CD2 3.2Å; V409-Y413 PolarHBondContact O-N 3.28Å; V409-Y413 VanDerWaalsContact O-N 3.09Å; I410-Y413 WeakPolarHBondContact O-CB 3.22Å; I410-Y413 PolarHBondContact O-N 3.41Å; I410-Y413 VanDerWaalsContact O-N 3.16Å; R411-Y413 VanDerWaalsContact C-N 3.34Å; R411-Y413 PolarHBondContact O-N 3.17Å; Y413-L417 VanDerWaalsContact O-CB 3.26Å; Y413-L417 WeakPolarHBondContact O-CB 3.33Å; Y413-L417 PolarHBondContact O-N 3.44Å
414	L	95.1	Very high	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-77.6	-34.8	179	-66.5	177.5	0	0	0	112.9	L389 I410 R411 C412 L417 L418 L456 L459 L460	L389-L414 HydrophobicContact CD1-CD2 3.89Å; L389-L414 HydrophobicContact CD2-CD2 4.35Å; I410-L414 HydrophobicContact CG2-CD1 3.91Å; I410-L414 HydrophobicContact CG2-CG 4.12Å; I410-L414 WeakPolarHBondContact O-CG 3.39Å; I410-L414 PolarHBondContact O-N 3.49Å; R411-L414 PolarHBondContact O-N 3.11Å; R411-L414 VanDerWaalsContact O-N 3.14Å; C412-L414 PolarHBondContact O-N 2.9Å; L414-L417 HydrophobicContact CD2-CD2 4.37Å; L414-L417 PolarHBondContact O-N 3.44Å; L414-L418 WeakPolarHBondContact O-CB 3.36Å; L414-L418 PolarHBondContact O-N 3Å; L414-L456 HydrophobicContact CD1-CB 4.24Å; L414-L456 HydrophobicContact CD1-CD2 4.18Å; L414-L459 HydrophobicContact CB-CB 3.96Å; L414-L459 HydrophobicContact CB-CD1 4.19Å; L414-L459 HydrophobicContact CD1-CB 4Å; L414-L460 HydrophobicContact CD1-CD2 4.24Å; L414-L460 HydrophobicContact CD1-CG 3.97Å; L414-L460 HydrophobicContact CD2-CD2 3.64Å; L414-L460 HydrophobicContact CD2-CG 4.25Å
415	E	96.1	Very high	90.3	Very high	93 Å²	93	48.9 Å²	48.9	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-44	172.3	-73.8	168.3	170.6	0	0	110.7	R411 L418 H419 L459	R411-E415 WeakPolarHBondContact CD-OE1 3.34Å; R411-E415 HydrophobicContact CG-CG 4.24Å; R411-E415 VanDerWaalsContact CG-OE1 3.26Å; R411-E415 WeakPolarHBondContact CG-OE1 3.31Å; R411-E415 WeakPolarHBondContact O-CB 3.15Å; R411-E415 VanDerWaalsContact O-CG 3.32Å; R411-E415 WeakPolarHBondContact O-CG 3.3Å; R411-E415 PolarHBondContact O-N 2.98Å; E415-L418 PolarHBondContact O-N 3.11Å; E415-H419 WeakPolarHBondContact O-CB 3.18Å; E415-H419 PolarHBondContact O-N 3.37Å; E415-L459 HydrophobicContact CG-CD1 4.14Å; E415-L459 HydrophobicContact CG-CD2 4.17Å
416	E	95.7	Very high	92	Very high	57 Å²	57	43.3 Å²	43.3	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-43.1	173.3	-172.2	-179.4	-169.3	0	0	111.8	R381 I385 C412 L418 H419 I420	R381-E416 IonicContact CZ-OE1 3.18Å; R381-E416 VanDerWaalsContact CZ-OE1 3.23Å; R381-E416 IonicContact CZ-OE2 3.67Å; R381-E416 IonicContact NE-OE1 3.62Å; R381-E416 PolarHBondContact NE-OE1 3.35Å; R381-E416 IonicContact NE-OE2 3.6Å; R381-E416 IonicContact NH2-OE1 3.82Å; R381-E416 PolarHBondContact NH2-OE1 2.93Å; R381-E416 IonicContact NH2-OE2 3.87Å; R381-E416 PolarHBondContact NH2-OE2 3.13Å; I385-E416 HydrophobicContact CD1-CB 4.39Å; I385-E416 HydrophobicContact CD1-CG 3.94Å; C412-E416 VanDerWaalsContact O-CB 3.24Å; C412-E416 WeakPolarHBondContact O-CB 2.98Å; C412-E416 PolarHBondContact O-N 2.86Å; E416-L418 PolarHBondContact O-N 3.1Å; E416-H419 PolarHBondContact O-N 2.87Å; E416-I420 HydrophobicContact CG-CD1 3.96Å; E416-I420 WeakPolarHBondContact O-CG1 3.11Å; E416-I420 PolarHBondContact O-N 3.45Å
417	L	96.7	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-48.3	174.3	-177.6	56.6	0	0	0	111.5	L382 I385 F386 L389 Y413 L414 I420 L421 L444 C463	L382-L417 HydrophobicContact CD2-CD1 3.57Å; I385-L417 HydrophobicContact CG2-CB 4.07Å; I385-L417 HydrophobicContact CG2-CD1 4.23Å; I385-L417 HydrophobicContact CG2-CD2 4.36Å; I385-L417 HydrophobicContact CG2-CG 4.44Å; F386-L417 HydrophobicContact CE1-CD1 3.84Å; F386-L417 HydrophobicContact CE1-CD2 4.21Å; F386-L417 HydrophobicContact CZ-CD1 3.85Å; L389-L417 HydrophobicContact CD1-CD2 4.19Å; Y413-L417 VanDerWaalsContact O-CB 3.26Å; Y413-L417 WeakPolarHBondContact O-CB 3.33Å; Y413-L417 PolarHBondContact O-N 3.44Å; L414-L417 HydrophobicContact CD2-CD2 4.37Å; L414-L417 PolarHBondContact O-N 3.44Å; L417-I420 PolarHBondContact O-N 3.27Å; L417-L421 HydrophobicContact CD1-CD1 3.84Å; L417-L421 HydrophobicContact CD1-CG 4.02Å; L417-L421 HydrophobicContact CG-CD1 3.78Å; L417-L421 HydrophobicContact CG-CG 4.36Å; L417-L421 WeakPolarHBondContact O-CB 3.34Å; L417-L421 WeakPolarHBondContact O-CG 3.49Å; L417-L421 PolarHBondContact O-N 2.88Å; L417-L444 HydrophobicContact CD2-CD2 4.06Å; L417-C463 HydrophobicContact CD2-CB 4.33Å
418	L	96.9	Very high	92.9	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-62.4	-43	179.5	-179.2	60.1	0	0	0	111.7	L414 E415 E416 L421 T422 K462 A466	L414-L418 WeakPolarHBondContact O-CB 3.36Å; L414-L418 PolarHBondContact O-N 3Å; E415-L418 PolarHBondContact O-N 3.11Å; E416-L418 PolarHBondContact O-N 3.1Å; L418-L421 PolarHBondContact O-N 2.85Å; L418-T422 WeakPolarHBondContact O-CB 3.37Å; L418-T422 PolarHBondContact O-N 3.32Å; L418-T422 PolarHBondContact O-OG1 3.33Å; L418-K462 HydrophobicContact CD1-CB 3.87Å; L418-K462 HydrophobicContact CD2-CB 3.74Å; L418-K462 HydrophobicContact CD2-CD 3.94Å; L418-K462 HydrophobicContact CD2-CG 4.47Å; L418-K462 HydrophobicContact CG-CB 4.46Å; L418-A466 HydrophobicContact CD1-CB 4.08Å
419	H	95.6	Very high	93.2	Very high	87 Å²	87	41.7 Å²	41.7	40%	0.403	22%	0.218	S	C	.	.	H	α-helix	trans	-62.3	-46.7	176.5	-179.6	47.2	0	0	0	111.4	E415 E416 T422 D423	E415-H419 WeakPolarHBondContact O-CB 3.18Å; E415-H419 PolarHBondContact O-N 3.37Å; E416-H419 PolarHBondContact O-N 2.87Å; H419-T422 PolarHBondContact O-N 3.18Å; H419-D423 IonicContact CE1-OD2 3.12Å; H419-D423 PolarHBondContact CE1-OD2 3.18Å; H419-D423 VanDerWaalsContact CE1-OD2 3.28Å; H419-D423 IonicContact CG-OD2 2.69Å; H419-D423 IonicContact ND1-OD2 3.85Å; H419-D423 PolarHBondContact ND1-OD2 3.39Å; H419-D423 WeakPolarHBondContact O-CB 3.32Å; H419-D423 PolarHBondContact O-N 2.97Å
420	I	95.4	Very high	93.4	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-48	176.7	-63.8	165.9	0	0	0	110.8	D378 R381 L382 I385 E416 L417 T422 A424	D378-I420 HydrophobicContact CB-CG2 4.03Å; R381-I420 HydrophobicContact CB-CD1 3.65Å; L382-I420 HydrophobicContact CD1-CG2 3.85Å; L382-I420 HydrophobicContact CD2-CB 4.27Å; L382-I420 HydrophobicContact CD2-CD1 4.48Å; L382-I420 HydrophobicContact CD2-CG2 3.81Å; L382-I420 HydrophobicContact CG-CG2 3.76Å; I385-I420 HydrophobicContact CD1-CD1 3.74Å; E416-I420 HydrophobicContact CG-CD1 3.96Å; E416-I420 WeakPolarHBondContact O-CG1 3.11Å; E416-I420 PolarHBondContact O-N 3.45Å; L417-I420 PolarHBondContact O-N 3.27Å; I420-T422 PolarHBondContact O-N 3.34Å; I420-T422 VanDerWaalsContact O-N 3.17Å; I420-A424 HydrophobicContact CG2-CB 3.83Å; I420-A424 WeakPolarHBondContact O-CB 3.21Å; I420-A424 PolarHBondContact O-N 3.4Å
421	L	95.7	Very high	93.6	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-24.3	179.9	-69.8	170.7	0	0	0	113.8	L417 L418 C429 C463 A466 M467 L470	L417-L421 HydrophobicContact CD1-CD1 3.84Å; L417-L421 HydrophobicContact CD1-CG 4.02Å; L417-L421 HydrophobicContact CG-CD1 3.78Å; L417-L421 HydrophobicContact CG-CG 4.36Å; L417-L421 WeakPolarHBondContact O-CB 3.34Å; L417-L421 WeakPolarHBondContact O-CG 3.49Å; L417-L421 PolarHBondContact O-N 2.88Å; L418-L421 PolarHBondContact O-N 2.85Å; L421-C429 HydrophobicContact CD2-CB 4.15Å; L421-C463 HydrophobicContact CD1-CB 4.24Å; L421-A466 HydrophobicContact CB-CB 3.83Å; L421-A466 HydrophobicContact CD1-CB 4.41Å; L421-M467 HydrophobicContact CD1-CE 3.89Å; L421-M467 HydrophobicContact CD1-CG 3.95Å; L421-M467 HydrophobicContact CD2-CG 4.27Å; L421-L470 HydrophobicContact CD2-CD1 3.97Å
422	T	95.1	Very high	93.6	Very high	88 Å²	88	41 Å²	41	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-93.9	-43.8	-178.9	-51.5	0	0	0	0	112.3	L418 H419 I420	L418-T422 WeakPolarHBondContact O-CB 3.37Å; L418-T422 PolarHBondContact O-N 3.32Å; L418-T422 PolarHBondContact O-OG1 3.33Å; H419-T422 PolarHBondContact O-N 3.18Å; I420-T422 PolarHBondContact O-N 3.34Å; I420-T422 VanDerWaalsContact O-N 3.17Å
423	D	93.6	Very high	93.6	Very high	50 Å²	50	37.3 Å²	37.3	27%	0.267	19%	0.187	S	C	.	.	H	α-helix	trans	-107.2	-8	-166.2	-69.2	-62.2	0	0	0	114.2	R321 S327 H328 H419	R321-D423 PolarHBondContact NH1-O 3.47Å; R321-D423 PolarHBondContact NH2-O 2.95Å; S327-D423 CarbonylContact C-O 3.59Å; S327-D423 VanDerWaalsContact CA-O 3.31Å; S327-D423 WeakPolarHBondContact CA-O 3.3Å; S327-D423 VanDerWaalsContact CB-OD1 3.3Å; S327-D423 WeakPolarHBondContact CB-OD1 3.5Å; H328-D423 PolarHBondContact N-O 2.86Å; H419-D423 IonicContact CE1-OD2 3.12Å; H419-D423 PolarHBondContact CE1-OD2 3.18Å; H419-D423 VanDerWaalsContact CE1-OD2 3.28Å; H419-D423 IonicContact CG-OD2 2.69Å; H419-D423 IonicContact ND1-OD2 3.85Å; H419-D423 PolarHBondContact ND1-OD2 3.39Å; H419-D423 WeakPolarHBondContact O-CB 3.32Å; H419-D423 PolarHBondContact O-N 2.97Å
424	A	91.8	Very high	93.7	Very high	8 Å²	8	38.9 Å²	38.9	7%	0.066	20%	0.195	C	C	.	.	S	Bend	trans	-85.5	179.9	-179.8	0	0	0	0	0	113.9	R321 D378 I420 P426	R321-A424 VanDerWaalsContact NH2-CB 3.3Å; D378-A424 HydrophobicContact CB-CB 4.41Å; D378-A424 WeakPolarHBondContact OD2-CB 3.33Å; I420-A424 HydrophobicContact CG2-CB 3.83Å; I420-A424 WeakPolarHBondContact O-CB 3.21Å; I420-A424 PolarHBondContact O-N 3.4Å; A424-P426 VanDerWaalsContact O-CD 3.28Å; A424-P426 WeakPolarHBondContact O-CD 3.46Å
425	D	89.2	Confident	93.5	Very high	22 Å²	22	43.1 Å²	43.1	12%	0.118	21%	0.211	C	C	.	.			trans	-59.1	118.8	166.8	-173.2	-35.5	0	0	0	109.4	H328 E427 V428 C429	H328-D425 IonicContact CE1-OD2 3.58Å; H328-D425 PolarHBondContact CE1-OD2 2.92Å; H328-D425 WeakPolarHBondContact ND1-CB 3.3Å; D425-E427 PolarHBondContact O-N 3.49Å; D425-E427 WeakPolarHBondContact OD1-CB 3.43Å; D425-E427 PolarHBondContact OD1-N 2.86Å; D425-V428 HydrophobicContact CB-CB 4.18Å; D425-V428 HydrophobicContact CB-CG2 3.84Å; D425-V428 PolarHBondContact O-N 3.35Å; D425-C429 PolarHBondContact O-N 2.93Å
426	P	90.4	Very high	93.4	Very high	60 Å²	60	43.6 Å²	43.6	39%	0.39	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-32.5	-179.7	-26	36.1	0	0	0	113.1	A424 C429 K430 L470	A424-P426 VanDerWaalsContact O-CD 3.28Å; A424-P426 WeakPolarHBondContact O-CD 3.46Å; P426-C429 PolarHBondContact O-N 3.25Å; P426-K430 WeakPolarHBondContact O-CB 3.33Å; P426-K430 VanDerWaalsContact O-CG 3.23Å; P426-K430 WeakPolarHBondContact O-CG 3.2Å; P426-K430 PolarHBondContact O-N 2.9Å; P426-L470 HydrophobicContact CB-CD2 4.12Å
427	E	88.3	Confident	93.3	Very high	79 Å²	79	49.3 Å²	49.3	37%	0.369	24%	0.243	S	C	.	.	H	α-helix	trans	-71.6	-33.7	-179.2	-63.5	-52.1	136.2	0	0	112.1	D425 K430 K431	D425-E427 PolarHBondContact O-N 3.49Å; D425-E427 WeakPolarHBondContact OD1-CB 3.43Å; D425-E427 PolarHBondContact OD1-N 2.86Å; E427-K430 VanDerWaalsContact OE1-CE 3.31Å; E427-K430 WeakPolarHBondContact OE1-CE 3.44Å; E427-K430 IonicContact OE1-NZ 2.81Å; E427-K430 PolarHBondContact OE1-NZ 3.47Å; E427-K430 IonicContact OE2-NZ 2.82Å; E427-K431 WeakPolarHBondContact O-CB 3.42Å; E427-K431 PolarHBondContact O-N 3.21Å
428	V	90.6	Very high	93.3	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-45.7	171.2	174.9	0	0	0	0	110.2	Q379 L382 D425 K431 M432	Q379-V428 HydrophobicContact CB-CG1 3.87Å; L382-V428 HydrophobicContact CD1-CG1 4.48Å; D425-V428 HydrophobicContact CB-CB 4.18Å; D425-V428 HydrophobicContact CB-CG2 3.84Å; D425-V428 PolarHBondContact O-N 3.35Å; V428-K431 PolarHBondContact O-N 3.46Å; V428-M432 WeakPolarHBondContact O-CB 3.3Å; V428-M432 WeakPolarHBondContact O-CG 3.32Å; V428-M432 PolarHBondContact O-N 3.48Å
429	C	93.8	Very high	93.2	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-44.5	178.7	-64.1	0	0	0	0	112	L421 D425 P426 M432 C433 L470	L421-C429 HydrophobicContact CD2-CB 4.15Å; D425-C429 PolarHBondContact O-N 2.93Å; P426-C429 PolarHBondContact O-N 3.25Å; C429-M432 PolarHBondContact O-N 3.38Å; C429-C433 WeakPolarHBondContact O-CB 2.58Å; C429-C433 PolarHBondContact O-N 3.2Å; C429-C433 PolarHBondContact O-SG 3.17Å; C429-L470 HydrophobicContact CB-CD1 3.57Å; C429-L470 HydrophobicContact CB-CD2 3.98Å; C429-L470 HydrophobicContact CB-CG 4.46Å
430	K	93.3	Very high	93.1	Very high	39 Å²	39	51 Å²	51	17%	0.17	25%	0.251	C	S	.	.	H	α-helix	trans	-58.5	-50.7	174.6	-72.6	175.5	-145.7	-176.3	0	111.8	P426 E427 M432 C433 K434 L470 D471	P426-K430 WeakPolarHBondContact O-CB 3.33Å; P426-K430 VanDerWaalsContact O-CG 3.23Å; P426-K430 WeakPolarHBondContact O-CG 3.2Å; P426-K430 PolarHBondContact O-N 2.9Å; E427-K430 VanDerWaalsContact OE1-CE 3.31Å; E427-K430 WeakPolarHBondContact OE1-CE 3.44Å; E427-K430 IonicContact OE1-NZ 2.81Å; E427-K430 PolarHBondContact OE1-NZ 3.47Å; E427-K430 IonicContact OE2-NZ 2.82Å; K430-M432 VanDerWaalsContact C-N 3.27Å; K430-M432 PolarHBondContact O-N 2.87Å; K430-C433 PolarHBondContact O-N 2.82Å; K430-K434 WeakPolarHBondContact O-CB 2.73Å; K430-K434 VanDerWaalsContact O-CG 3.29Å; K430-K434 WeakPolarHBondContact O-CG 3.29Å; K430-K434 PolarHBondContact O-N 3.22Å; K430-L470 WeakPolarHBondContact CE-O 3.38Å; K430-L470 HydrophobicContact CG-CB 3.93Å; K430-D471 HydrophobicContact CD-CB 4.29Å; K430-D471 HydrophobicContact CG-CB 4.17Å
431	K	92	Very high	93.1	Very high	99 Å²	99	50.7 Å²	50.7	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-55.3	-42.8	177.7	179.3	-172.7	177.8	-167.8	0	111.6	E427 V428 R435	E427-K431 WeakPolarHBondContact O-CB 3.42Å; E427-K431 PolarHBondContact O-N 3.21Å; V428-K431 PolarHBondContact O-N 3.46Å; K431-R435 PolarHBondContact O-N 3.44Å
432	M	92.7	Very high	93.1	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-73.7	-34.4	179.6	-76.2	-55.2	-54.6	0	0	114.2	Q379 L382 E383 F386 V428 C429 K430 S440	Q379-M432 HydrophobicContact CG-CG 3.85Å; Q379-M432 HydrophobicContact CG-SD 3.53Å; Q379-M432 VanDerWaalsContact CG-SD 3.53Å; L382-M432 HydrophobicContact CB-CB 4.32Å; L382-M432 HydrophobicContact CB-CE 4.17Å; L382-M432 HydrophobicContact CB-CG 4.1Å; L382-M432 HydrophobicContact CD1-CB 3.86Å; L382-M432 HydrophobicContact CD1-CG 3.89Å; E383-M432 HydrophobicContact CB-CE 4.37Å; E383-M432 HydrophobicContact CG-CE 3.44Å; E383-M432 VanDerWaalsContact CG-CE 3.44Å; E383-M432 HydrophobicContact CG-SD 3.97Å; F386-M432 HydrophobicContact CD2-CE 4.17Å; F386-M432 HydrophobicContact CE2-CB 4.23Å; V428-M432 WeakPolarHBondContact O-CB 3.3Å; V428-M432 WeakPolarHBondContact O-CG 3.32Å; V428-M432 PolarHBondContact O-N 3.48Å; C429-M432 PolarHBondContact O-N 3.38Å; K430-M432 VanDerWaalsContact C-N 3.27Å; K430-M432 PolarHBondContact O-N 2.87Å; M432-S440 PolarHBondContact O-OG 3.44Å
433	C	94.9	Very high	93	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.5	-34.8	174.7	-65.2	0	0	0	0	112.4	C429 K430 F438 V441 I474	C429-C433 WeakPolarHBondContact O-CB 2.58Å; C429-C433 PolarHBondContact O-N 3.2Å; C429-C433 PolarHBondContact O-SG 3.17Å; K430-C433 PolarHBondContact O-N 2.82Å; C433-F438 WeakPolarHBondContact O-CA 3.44Å; C433-V441 HydrophobicContact CB-CG2 3.94Å; C433-I474 HydrophobicContact CB-CD1 3.75Å; C433-I474 HydrophobicContact CB-CG1 4.34Å
434	K	94.3	Very high	93	Very high	79 Å²	79	48.5 Å²	48.5	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-80.6	-11.3	179.8	-70.2	178	176.6	-172.9	0	114.3	K430 F438 D471	K430-K434 WeakPolarHBondContact O-CB 2.73Å; K430-K434 VanDerWaalsContact O-CG 3.29Å; K430-K434 WeakPolarHBondContact O-CG 3.29Å; K430-K434 PolarHBondContact O-N 3.22Å; K434-F438 HydrophobicContact CB-CE1 4.3Å; K434-F438 HydrophobicContact CG-CD1 4.25Å; K434-F438 HydrophobicContact CG-CE1 3.56Å; K434-F438 HydrophobicContact CG-CZ 3.94Å; K434-D471 WeakPolarHBondContact CE-OD1 3.28Å; K434-D471 WeakPolarHBondContact CE-OD2 3.47Å; K434-D471 IonicContact NZ-OD1 3.47Å; K434-D471 PolarHBondContact NZ-OD1 2.88Å; K434-D471 IonicContact NZ-OD2 2.71Å; K434-D471 PolarHBondContact NZ-OD2 3.18Å
435	R	92.3	Very high	93.2	Very high	89 Å²	89	48.4 Å²	48.4	34%	0.336	24%	0.235	S	C	.	.	H	α-helix	trans	-60.7	140	-177.2	-167.9	175.2	70.5	172.3	2.1	111.2	E383 K431 E437 F438 E439	E383-R435 IonicContact OE1-NH1 3.24Å; K431-R435 PolarHBondContact O-N 3.44Å; R435-E437 PolarHBondContact O-N 2.7Å; R435-F438 PolarHBondContact O-N 3.05Å; R435-E439 PolarHBondContact O-N 3Å
436	N	92.3	Very high	93.3	Very high	103 Å²	103	48.4 Å²	48.4	55%	0.551	24%	0.237	S	C	*	.	H	α-helix	trans	50.6	54	178.5	-59	-9.4	0	0	0	113	F438 E439	N436-F438 VanDerWaalsContact C-N 3.26Å; N436-F438 PolarHBondContact O-N 3.17Å; N436-E439 HydrophobicContact CB-CB 3.8Å; N436-E439 VanDerWaalsContact CB-OE2 3.3Å; N436-E439 WeakPolarHBondContact CB-OE2 3.45Å; N436-E439 PolarHBondContact ND2-OE2 2.79Å; N436-E439 WeakPolarHBondContact O-CB 3.47Å; N436-E439 PolarHBondContact O-N 2.71Å
437	E	94.1	Very high	93.4	Very high	178 Å²	178	45.7 Å²	45.7	83%	0.832	22%	0.22	S	C	*	.	H	α-helix	trans	54.5	42.6	179	-58.1	179.7	177.7	0	0	112.7	R435 E439	R435-E437 PolarHBondContact O-N 2.7Å; E437-E439 VanDerWaalsContact C-N 3.31Å; E437-E439 PolarHBondContact O-N 2.7Å
438	F	96.2	Very high	93.6	Very high	39 Å²	39	42 Å²	42	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	64.1	24.9	-178.2	-51	-99	0	0	0	115.6	C433 K434 R435 N436 S440 V441 L442 A473 I474 T477	C433-F438 WeakPolarHBondContact O-CA 3.44Å; K434-F438 HydrophobicContact CB-CE1 4.3Å; K434-F438 HydrophobicContact CG-CD1 4.25Å; K434-F438 HydrophobicContact CG-CE1 3.56Å; K434-F438 HydrophobicContact CG-CZ 3.94Å; R435-F438 PolarHBondContact O-N 3.05Å; N436-F438 VanDerWaalsContact C-N 3.26Å; N436-F438 PolarHBondContact O-N 3.17Å; F438-S440 PolarHBondContact O-N 3.3Å; F438-S440 VanDerWaalsContact O-N 3.14Å; F438-V441 HydrophobicContact CB-CB 4.33Å; F438-V441 HydrophobicContact CB-CG2 4.47Å; F438-V441 PolarHBondContact O-N 2.85Å; F438-L442 PolarHBondContact O-N 3.31Å; F438-A473 HydrophobicContact CE1-CB 4.41Å; F438-A473 HydrophobicContact CZ-CB 3.85Å; F438-I474 HydrophobicContact CD1-CG1 4.28Å; F438-I474 HydrophobicContact CE1-CG1 3.85Å; F438-T477 HydrophobicContact CB-CG2 3.74Å; F438-T477 HydrophobicContact CD1-CG2 4.39Å; F438-T477 HydrophobicContact CD2-CG2 4.35Å; F438-T477 WeakPolarHBondContact CD2-OG1 3.47Å; F438-T477 HydrophobicContact CG-CG2 3.96Å
439	E	95.1	Very high	93.7	Very high	110 Å²	110	45.7 Å²	45.7	51%	0.514	22%	0.219	S	C	.	.	H	α-helix	trans	-44.4	-47.2	176.3	-179.2	-178.2	-161.5	0	0	112.9	R435 N436 E437 V441 L442 A443	R435-E439 PolarHBondContact O-N 3Å; N436-E439 HydrophobicContact CB-CB 3.8Å; N436-E439 VanDerWaalsContact CB-OE2 3.3Å; N436-E439 WeakPolarHBondContact CB-OE2 3.45Å; N436-E439 PolarHBondContact ND2-OE2 2.79Å; N436-E439 WeakPolarHBondContact O-CB 3.47Å; N436-E439 PolarHBondContact O-N 2.71Å; E437-E439 VanDerWaalsContact C-N 3.31Å; E437-E439 PolarHBondContact O-N 2.7Å; E439-V441 VanDerWaalsContact C-N 3.32Å; E439-V441 PolarHBondContact O-N 3.42Å; E439-L442 PolarHBondContact O-N 3.39Å; E439-A443 WeakPolarHBondContact O-CB 3.26Å; E439-A443 PolarHBondContact O-N 3.45Å
440	S	93.8	Very high	93.4	Very high	9 Å²	9	48 Å²	48	6%	0.063	23%	0.231	C	C	.	.	H	α-helix	trans	-57.6	-41.8	179	-53.2	0	0	0	0	112.9	M432 F438 L444	M432-S440 PolarHBondContact O-OG 3.44Å; F438-S440 PolarHBondContact O-N 3.3Å; F438-S440 VanDerWaalsContact O-N 3.14Å; S440-L444 WeakPolarHBondContact O-CB 3.31Å; S440-L444 PolarHBondContact O-N 2.62Å
441	V	96.3	Very high	93.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.5	-46.3	-177.8	-177.8	0	0	0	0	109.9	C433 F438 E439 A443 L444 V445 M467 I474 L478	C433-V441 HydrophobicContact CB-CG2 3.94Å; F438-V441 HydrophobicContact CB-CB 4.33Å; F438-V441 HydrophobicContact CB-CG2 4.47Å; F438-V441 PolarHBondContact O-N 2.85Å; E439-V441 VanDerWaalsContact C-N 3.32Å; E439-V441 PolarHBondContact O-N 3.42Å; V441-A443 PolarHBondContact O-N 2.94Å; V441-L444 WeakPolarHBondContact O-CB 3.4Å; V441-L444 PolarHBondContact O-N 2.88Å; V441-L444 VanDerWaalsContact O-N 3.12Å; V441-V445 PolarHBondContact O-N 3.47Å; V441-M467 HydrophobicContact CG1-SD 4.28Å; V441-M467 HydrophobicContact CG2-SD 4.17Å; V441-I474 HydrophobicContact CG1-CG2 4.36Å; V441-I474 HydrophobicContact CG2-CG2 4.4Å; V441-L478 HydrophobicContact CG1-CD2 3.53Å; V441-L478 HydrophobicContact CG1-CG 4.07Å
442	L	95.4	Very high	92.9	Very high	76 Å²	76	49.7 Å²	49.7	40%	0.398	24%	0.24	S	C	.	.	H	α-helix	trans	-65.8	-36.4	179.1	-65.3	175	0	0	0	112.2	F438 E439 L444 V445 A446 T477	F438-L442 PolarHBondContact O-N 3.31Å; E439-L442 PolarHBondContact O-N 3.39Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 2.8Å; L442-V445 PolarHBondContact O-N 2.9Å; L442-A446 WeakPolarHBondContact O-CB 3.48Å; L442-A446 PolarHBondContact O-N 3.32Å; L442-T477 HydrophobicContact CD2-CG2 3.85Å; L442-T477 HydrophobicContact CG-CG2 4.17Å
443	A	92.6	Very high	92.7	Very high	17 Å²	17	51.4 Å²	51.4	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-38.5	171.8	0	0	0	0	0	111.9	A390 E439 V441 A446 Y447	A390-A443 HydrophobicContact CB-CB 4.19Å; E439-A443 WeakPolarHBondContact O-CB 3.26Å; E439-A443 PolarHBondContact O-N 3.45Å; V441-A443 PolarHBondContact O-N 2.94Å; A443-A446 PolarHBondContact O-N 3.16Å; A443-Y447 WeakPolarHBondContact O-CB 3.29Å; A443-Y447 PolarHBondContact O-N 3.41Å
444	L	94.4	Very high	92.4	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-71.1	-37.3	178	-159.4	68.5	0	0	0	112.2	L389 L417 S440 V441 L442 Y447 Y448 L460 C463 F464 M467	L389-L444 HydrophobicContact CD1-CD1 3.84Å; L417-L444 HydrophobicContact CD2-CD2 4.06Å; S440-L444 WeakPolarHBondContact O-CB 3.31Å; S440-L444 PolarHBondContact O-N 2.62Å; V441-L444 WeakPolarHBondContact O-CB 3.4Å; V441-L444 PolarHBondContact O-N 2.88Å; V441-L444 VanDerWaalsContact O-N 3.12Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 2.8Å; L444-Y447 WeakPolarHBondContact O-CB 3.45Å; L444-Y447 PolarHBondContact O-N 3.1Å; L444-Y448 PolarHBondContact O-N 3.04Å; L444-L460 HydrophobicContact CD1-CD2 3.51Å; L444-L460 HydrophobicContact CD2-CD2 4.26Å; L444-L460 HydrophobicContact CG-CD2 3.71Å; L444-C463 HydrophobicContact CD2-CB 4.48Å; L444-F464 HydrophobicContact CB-CE1 4.13Å; L444-F464 HydrophobicContact CB-CZ 4.44Å; L444-F464 HydrophobicContact CD2-CD1 4.48Å; L444-F464 HydrophobicContact CD2-CE1 3.92Å; L444-F464 HydrophobicContact CD2-CZ 4.44Å; L444-F464 HydrophobicContact CG-CE1 4.03Å; L444-F464 HydrophobicContact CG-CZ 4.18Å; L444-M467 HydrophobicContact CD2-CE 3.64Å; L444-M467 HydrophobicContact CD2-SD 4.38Å
445	V	95.7	Very high	92.2	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.036	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-46.9	170.5	170.5	0	0	0	0	111.2	V441 L442 Y447 Y448 Q449 F464 L478 V482 L483	V441-V445 PolarHBondContact O-N 3.47Å; L442-V445 PolarHBondContact O-N 2.9Å; V445-Y447 VanDerWaalsContact C-N 3.29Å; V445-Y447 PolarHBondContact O-N 2.83Å; V445-Y448 WeakPolarHBondContact O-CB 3.46Å; V445-Y448 PolarHBondContact O-N 3.34Å; V445-Q449 PolarHBondContact O-N 3.43Å; V445-Q449 VanDerWaalsContact O-N 3.14Å; V445-F464 HydrophobicContact CG2-CE1 3.81Å; V445-F464 HydrophobicContact CG2-CZ 3.93Å; V445-L478 HydrophobicContact CG2-CD2 3.73Å; V445-V482 HydrophobicContact CG1-CG1 3.78Å; V445-L483 HydrophobicContact CG1-CB 3.84Å; V445-L483 HydrophobicContact CG2-CB 4.11Å; V445-L483 HydrophobicContact CG2-CD2 4.36Å
446	A	92.1	Very high	92.2	Very high	21 Å²	21	47.4 Å²	47.4	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-64.7	-33.1	176.4	0	0	0	0	0	112.3	K393 L442 A443 M450	K393-A446 HydrophobicContact CD-CB 3.72Å; L442-A446 WeakPolarHBondContact O-CB 3.48Å; L442-A446 PolarHBondContact O-N 3.32Å; A443-A446 PolarHBondContact O-N 3.16Å; A446-M450 HydrophobicContact CB-CE 4.41Å; A446-M450 WeakPolarHBondContact O-CE 3.23Å; A446-M450 WeakPolarHBondContact O-CG 3.49Å; A446-M450 PolarHBondContact O-N 3.3Å
447	Y	91.6	Very high	92.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-44.8	171.6	-175.7	-96.7	0	0	0	111.8	R392 K393 I410 A443 L444 V445 Q449 M450 E451 L460	R392-Y447 HydrophobicContact CB-CE2 4.28Å; K393-Y447 HydrophobicContact CB-CD2 3.99Å; I410-Y447 WeakPolarHBondContact CD1-OH 3.46Å; A443-Y447 WeakPolarHBondContact O-CB 3.29Å; A443-Y447 PolarHBondContact O-N 3.41Å; L444-Y447 WeakPolarHBondContact O-CB 3.45Å; L444-Y447 PolarHBondContact O-N 3.1Å; V445-Y447 VanDerWaalsContact C-N 3.29Å; V445-Y447 PolarHBondContact O-N 2.83Å; Y447-Q449 VanDerWaalsContact C-N 3.28Å; Y447-Q449 PolarHBondContact O-N 3.24Å; Y447-M450 PolarHBondContact O-N 3.11Å; Y447-M450 VanDerWaalsContact O-N 3.08Å; Y447-E451 HydrophobicContact CD1-CB 4.47Å; Y447-E451 HydrophobicContact CE1-CB 4.08Å; Y447-E451 HydrophobicContact CE1-CG 4.27Å; Y447-E451 WeakPolarHBondContact O-CB 3.42Å; Y447-E451 PolarHBondContact O-N 2.66Å; Y447-E451 PolarHBondContact OH-OE2 3.36Å; Y447-L460 HydrophobicContact CD1-CD1 3.74Å; Y447-L460 HydrophobicContact CD1-CD2 4.15Å; Y447-L460 HydrophobicContact CE1-CD1 3.95Å
448	Y	93.1	Very high	92.3	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-56.8	-39.5	176.4	-179.8	-93.4	0	0	0	112.9	L444 V445 M450 E451 R457 L460 L461 F464 L483 E486 L487	L444-Y448 PolarHBondContact O-N 3.04Å; V445-Y448 WeakPolarHBondContact O-CB 3.46Å; V445-Y448 PolarHBondContact O-N 3.34Å; Y448-M450 VanDerWaalsContact C-N 3.3Å; Y448-M450 PolarHBondContact O-N 3.26Å; Y448-E451 PolarHBondContact O-N 3.32Å; Y448-R457 HydrophobicContact CD2-CB 4.37Å; Y448-R457 HydrophobicContact CD2-CG 4.08Å; Y448-R457 HydrophobicContact CE2-CB 3.73Å; Y448-R457 HydrophobicContact CE2-CG 3.69Å; Y448-R457 PolarHBondContact O-NH2 3.46Å; Y448-L460 HydrophobicContact CD2-CB 3.77Å; Y448-L460 HydrophobicContact CD2-CD1 3.87Å; Y448-L460 HydrophobicContact CD2-CG 4.47Å; Y448-L460 HydrophobicContact CE2-CB 4.47Å; Y448-L461 HydrophobicContact CE2-CD2 4.12Å; Y448-L461 HydrophobicContact CE2-CG 4.04Å; Y448-F464 HydrophobicContact CD2-CE2 4.13Å; Y448-F464 HydrophobicContact CG-CE2 4.09Å; Y448-L483 HydrophobicContact CD1-CD1 3.93Å; Y448-L483 HydrophobicContact CE1-CD1 4.22Å; Y448-L483 HydrophobicContact CG-CD1 4.48Å; Y448-E486 HydrophobicContact CD1-CG 3.95Å; Y448-E486 HydrophobicContact CE1-CG 3.81Å; Y448-L487 HydrophobicContact CE1-CD2 3.76Å; Y448-L487 VanDerWaalsContact OH-CD2 3.27Å; Y448-L487 WeakPolarHBondContact OH-CD2 3.38Å
449	Q	91	Very high	92.3	Very high	81 Å²	81	34.9 Å²	34.9	38%	0.379	18%	0.184	S	C	.	.	H	α-helix	trans	-63.2	-33.5	177.1	-166.9	-178.2	21.3	0	0	113.1	V445 Y447 E486	V445-Q449 PolarHBondContact O-N 3.43Å; V445-Q449 VanDerWaalsContact O-N 3.14Å; Y447-Q449 VanDerWaalsContact C-N 3.28Å; Y447-Q449 PolarHBondContact O-N 3.24Å; Q449-E486 HydrophobicContact CG-CG 4.45Å
450	M	88	Confident	92.4	Very high	51 Å²	51	29.7 Å²	29.7	25%	0.251	16%	0.159	S	C	.	.	H	α-helix	trans	-92	-22.4	-178.7	-60.1	175.2	-151.3	0	0	113.3	K393 Q397 A446 Y447 Y448	K393-M450 HydrophobicContact CG-CE 4.09Å; K393-M450 HydrophobicContact CG-SD 4.16Å; Q397-M450 HydrophobicContact CG-CE 3.98Å; Q397-M450 HydrophobicContact CG-SD 3.52Å; Q397-M450 VanDerWaalsContact CG-SD 3.52Å; A446-M450 HydrophobicContact CB-CE 4.41Å; A446-M450 WeakPolarHBondContact O-CE 3.23Å; A446-M450 WeakPolarHBondContact O-CG 3.49Å; A446-M450 PolarHBondContact O-N 3.3Å; Y447-M450 PolarHBondContact O-N 3.11Å; Y447-M450 VanDerWaalsContact O-N 3.08Å; Y448-M450 VanDerWaalsContact C-N 3.3Å; Y448-M450 PolarHBondContact O-N 3.26Å
451	E	88.6	Confident	92.6	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.056	16%	0.156	C	C	.	.			trans	-72.4	132.7	177.5	-176.6	56.2	-98.8	0	0	110.7	Y447 Y448 R453 L456 R457 L460	Y447-E451 HydrophobicContact CD1-CB 4.47Å; Y447-E451 HydrophobicContact CE1-CB 4.08Å; Y447-E451 HydrophobicContact CE1-CG 4.27Å; Y447-E451 WeakPolarHBondContact O-CB 3.42Å; Y447-E451 PolarHBondContact O-N 2.66Å; Y447-E451 PolarHBondContact OH-OE2 3.36Å; Y448-E451 PolarHBondContact O-N 3.32Å; E451-R453 WeakPolarHBondContact OE1-CB 3.45Å; E451-R453 WeakPolarHBondContact OE1-CG 3.33Å; E451-R453 IonicContact OE1-CZ 3.61Å; E451-R453 PolarHBondContact OE1-N 3.06Å; E451-R453 IonicContact OE1-NE 3.61Å; E451-R453 PolarHBondContact OE1-NE 2.94Å; E451-R453 IonicContact OE1-NH2 3.08Å; E451-R453 IonicContact OE2-CZ 2.7Å; E451-R453 IonicContact OE2-NE 3.46Å; E451-R453 PolarHBondContact OE2-NE 3.14Å; E451-R453 IonicContact OE2-NH2 3.34Å; E451-R453 PolarHBondContact OE2-NH2 3.4Å; E451-L456 HydrophobicContact CG-CB 3.94Å; E451-L456 VanDerWaalsContact OE2-CD1 3.27Å; E451-L456 WeakPolarHBondContact OE2-CD1 3.27Å; E451-R457 HydrophobicContact CG-CG 4.34Å; E451-R457 PolarHBondContact O-NE 3.42Å; E451-R457 PolarHBondContact O-NH2 3Å; E451-L460 HydrophobicContact CB-CD1 4.5Å
452	H	86.2	Confident	92.6	Very high	161 Å²	161	32.3 Å²	32.3	75%	0.745	17%	0.17	S	C	*	.			trans	-112.9	-11.3	179.7	-62.3	-50.9	0	0	0	113	A454	H452-A454 PolarHBondContact O-N 3.4Å
453	R	88	Confident	92.7	Very high	37 Å²	37	28.7 Å²	28.7	14%	0.14	15%	0.151	C	C	.	.			trans	-80.4	114.7	-179.6	-66.4	167.7	-73.3	-174.8	-0	110.2	L403 D406 E451 S455 L456 R457	L403-R453 PolarHBondContact O-NH1 2.75Å; D406-R453 IonicContact OD1-NH1 3Å; D406-R453 PolarHBondContact OD1-NH1 2.65Å; D406-R453 VanDerWaalsContact OD1-NH1 3.14Å; D406-R453 IonicContact OD1-NH2 2.71Å; E451-R453 WeakPolarHBondContact OE1-CB 3.45Å; E451-R453 WeakPolarHBondContact OE1-CG 3.33Å; E451-R453 IonicContact OE1-CZ 3.61Å; E451-R453 PolarHBondContact OE1-N 3.06Å; E451-R453 IonicContact OE1-NE 3.61Å; E451-R453 PolarHBondContact OE1-NE 2.94Å; E451-R453 IonicContact OE1-NH2 3.08Å; E451-R453 IonicContact OE2-CZ 2.7Å; E451-R453 IonicContact OE2-NE 3.46Å; E451-R453 PolarHBondContact OE2-NE 3.14Å; E451-R453 IonicContact OE2-NH2 3.34Å; E451-R453 PolarHBondContact OE2-NH2 3.4Å; R453-S455 VanDerWaalsContact C-N 3.25Å; R453-S455 PolarHBondContact O-N 3.22Å; R453-L456 HydrophobicContact CB-CB 4.48Å; R453-L456 HydrophobicContact CB-CD1 4.4Å; R453-L456 HydrophobicContact CB-CG 4.31Å; R453-L456 VanDerWaalsContact CZ-CD1 3.43Å; R453-L456 PolarHBondContact O-N 3.39Å; R453-R457 PolarHBondContact O-N 2.94Å
454	A	89.1	Confident	93	Very high	39 Å²	39	27.9 Å²	27.9	32%	0.322	14%	0.144	S	C	.	.	H	α-helix	trans	-54.9	-38.3	-179.1	0	0	0	0	0	113.2	H452 L456 R457 L458	H452-A454 PolarHBondContact O-N 3.4Å; A454-L456 VanDerWaalsContact C-N 3.33Å; A454-L456 PolarHBondContact O-N 2.9Å; A454-R457 PolarHBondContact O-N 3.49Å; A454-L458 VanDerWaalsContact O-CB 3.3Å; A454-L458 WeakPolarHBondContact O-CB 3.5Å; A454-L458 PolarHBondContact O-N 3.38Å
455	S	91.5	Very high	93.1	Very high	45 Å²	45	28 Å²	28	32%	0.315	15%	0.147	S	C	.	.	H	α-helix	trans	-54.1	-44	174.6	51.2	0	0	0	0	113.3	E407 R453 L459	E407-S455 WeakPolarHBondContact OE1-CB 3.28Å; E407-S455 PolarHBondContact OE1-OG 3.25Å; R453-S455 VanDerWaalsContact C-N 3.25Å; R453-S455 PolarHBondContact O-N 3.22Å; S455-L459 PolarHBondContact O-N 3.29Å
456	L	92.1	Very high	93.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-82.8	-37.7	-179.7	-58.7	-176.6	0	0	0	111.6	E407 I410 R411 L414 E451 R453 A454 L458 L459 L460	E407-L456 HydrophobicContact CG-CD1 3.98Å; E407-L456 HydrophobicContact CG-CD2 4.18Å; E407-L456 HydrophobicContact CG-CG 4.1Å; I410-L456 HydrophobicContact CB-CD1 4.01Å; I410-L456 HydrophobicContact CB-CD2 4.36Å; I410-L456 HydrophobicContact CD1-CD1 4.04Å; I410-L456 HydrophobicContact CG2-CD1 3.84Å; I410-L456 HydrophobicContact CG2-CD2 4.17Å; R411-L456 HydrophobicContact CB-CD2 3.99Å; L414-L456 HydrophobicContact CD1-CB 4.24Å; L414-L456 HydrophobicContact CD1-CD2 4.18Å; E451-L456 HydrophobicContact CG-CB 3.94Å; E451-L456 VanDerWaalsContact OE2-CD1 3.27Å; E451-L456 WeakPolarHBondContact OE2-CD1 3.27Å; R453-L456 HydrophobicContact CB-CB 4.48Å; R453-L456 HydrophobicContact CB-CD1 4.4Å; R453-L456 HydrophobicContact CB-CG 4.31Å; R453-L456 VanDerWaalsContact CZ-CD1 3.43Å; R453-L456 PolarHBondContact O-N 3.39Å; A454-L456 VanDerWaalsContact C-N 3.33Å; A454-L456 PolarHBondContact O-N 2.9Å; L456-L458 VanDerWaalsContact C-N 3.28Å; L456-L458 PolarHBondContact O-N 2.96Å; L456-L459 PolarHBondContact O-N 2.93Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.46Å
457	R	93.5	Very high	93.4	Very high	14 Å²	14	27.3 Å²	27.3	5%	0.053	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-44.3	169.8	-80.4	-166.6	169.2	-147.6	-16.4	111.3	Y448 E451 R453 A454 L459 L460 L461 E486 D490	Y448-R457 HydrophobicContact CD2-CB 4.37Å; Y448-R457 HydrophobicContact CD2-CG 4.08Å; Y448-R457 HydrophobicContact CE2-CB 3.73Å; Y448-R457 HydrophobicContact CE2-CG 3.69Å; Y448-R457 PolarHBondContact O-NH2 3.46Å; E451-R457 HydrophobicContact CG-CG 4.34Å; E451-R457 PolarHBondContact O-NE 3.42Å; E451-R457 PolarHBondContact O-NH2 3Å; R453-R457 PolarHBondContact O-N 2.94Å; A454-R457 PolarHBondContact O-N 3.49Å; R457-L459 PolarHBondContact O-N 3.4Å; R457-L460 PolarHBondContact O-N 3.22Å; R457-L461 VanDerWaalsContact O-CG 3.31Å; R457-L461 WeakPolarHBondContact O-CG 3.3Å; R457-L461 PolarHBondContact O-N 3.24Å; R457-E486 IonicContact CZ-OE1 3.81Å; R457-E486 IonicContact NH1-OE1 3.96Å; R457-E486 PolarHBondContact NH1-OE1 3.38Å; R457-E486 IonicContact NH2-OE1 3.68Å; R457-E486 PolarHBondContact NH2-OE1 2.89Å; R457-D490 IonicContact NH1-OD1 3.77Å; R457-D490 PolarHBondContact NH1-OD1 3.35Å; R457-D490 IonicContact NH1-OD2 3.72Å
458	L	94.9	Very high	93.6	Very high	25 Å²	25	27.1 Å²	27.1	13%	0.131	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-38.6	178.2	-177	64.4	0	0	0	112.9	A454 L456 K462 Q499 Y503	A454-L458 VanDerWaalsContact O-CB 3.3Å; A454-L458 WeakPolarHBondContact O-CB 3.5Å; A454-L458 PolarHBondContact O-N 3.38Å; L456-L458 VanDerWaalsContact C-N 3.28Å; L456-L458 PolarHBondContact O-N 2.96Å; L458-K462 WeakPolarHBondContact O-CG 3.38Å; L458-K462 PolarHBondContact O-N 3.41Å; L458-Q499 HydrophobicContact CD1-CG 4.15Å; L458-Q499 HydrophobicContact CD2-CG 4.17Å; L458-Y503 HydrophobicContact CD1-CD2 3.36Å; L458-Y503 HydrophobicContact CD1-CE2 3.88Å; L458-Y503 HydrophobicContact CD1-CG 3.74Å
459	L	96.1	Very high	93.7	Very high	19 Å²	19	30.1 Å²	30.1	10%	0.099	16%	0.162	C	C	.	.	H	α-helix	trans	-70.1	-41.1	174.5	-73.4	170	0	0	0	111.9	R411 L414 E415 S455 L456 R457 L461 K462 C463	R411-L459 HydrophobicContact CG-CD1 3.68Å; L414-L459 HydrophobicContact CB-CB 3.96Å; L414-L459 HydrophobicContact CB-CD1 4.19Å; L414-L459 HydrophobicContact CD1-CB 4Å; E415-L459 HydrophobicContact CG-CD1 4.14Å; E415-L459 HydrophobicContact CG-CD2 4.17Å; S455-L459 PolarHBondContact O-N 3.29Å; L456-L459 PolarHBondContact O-N 2.93Å; R457-L459 PolarHBondContact O-N 3.4Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 PolarHBondContact O-N 3.17Å; L459-K462 WeakPolarHBondContact O-CB 3.32Å; L459-K462 PolarHBondContact O-N 3.21Å; L459-K462 VanDerWaalsContact O-N 3.15Å; L459-C463 PolarHBondContact O-N 2.95Å; L459-C463 PolarHBondContact O-SG 3.49Å
460	L	96.4	Very high	93.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.4	-42.4	174.1	-71.2	162.8	0	0	0	111.8	L414 L444 Y447 Y448 E451 L456 R457 K462 C463 F464	L414-L460 HydrophobicContact CD1-CD2 4.24Å; L414-L460 HydrophobicContact CD1-CG 3.97Å; L414-L460 HydrophobicContact CD2-CD2 3.64Å; L414-L460 HydrophobicContact CD2-CG 4.25Å; L444-L460 HydrophobicContact CD1-CD2 3.51Å; L444-L460 HydrophobicContact CD2-CD2 4.26Å; L444-L460 HydrophobicContact CG-CD2 3.71Å; Y447-L460 HydrophobicContact CD1-CD1 3.74Å; Y447-L460 HydrophobicContact CD1-CD2 4.15Å; Y447-L460 HydrophobicContact CE1-CD1 3.95Å; Y448-L460 HydrophobicContact CD2-CB 3.77Å; Y448-L460 HydrophobicContact CD2-CD1 3.87Å; Y448-L460 HydrophobicContact CD2-CG 4.47Å; Y448-L460 HydrophobicContact CE2-CB 4.47Å; E451-L460 HydrophobicContact CB-CD1 4.5Å; L456-L460 WeakPolarHBondContact O-CG 3.42Å; L456-L460 PolarHBondContact O-N 3.46Å; R457-L460 PolarHBondContact O-N 3.22Å; L460-K462 VanDerWaalsContact C-N 3.34Å; L460-K462 PolarHBondContact O-N 3.28Å; L460-C463 WeakPolarHBondContact O-CB 3.42Å; L460-C463 PolarHBondContact O-N 2.93Å; L460-F464 HydrophobicContact CB-CE2 4.2Å; L460-F464 WeakPolarHBondContact O-CD2 3.47Å; L460-F464 WeakPolarHBondContact O-CG 3.28Å; L460-F464 PolarHBondContact O-N 3.22Å
461	L	97.4	Very high	94.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57	-45.7	173.3	-70.4	171.1	0	0	0	111.5	Y448 R457 L459 C463 F464 G465 L487 K500 I507	Y448-L461 HydrophobicContact CE2-CD2 4.12Å; Y448-L461 HydrophobicContact CE2-CG 4.04Å; R457-L461 VanDerWaalsContact O-CG 3.31Å; R457-L461 WeakPolarHBondContact O-CG 3.3Å; R457-L461 PolarHBondContact O-N 3.24Å; L459-L461 VanDerWaalsContact C-N 3.33Å; L459-L461 PolarHBondContact O-N 3.17Å; L461-C463 PolarHBondContact O-N 2.9Å; L461-F464 PolarHBondContact O-N 2.92Å; L461-G465 PolarHBondContact O-N 3.24Å; L461-L487 HydrophobicContact CD2-CD2 3.52Å; L461-K500 HydrophobicContact CD1-CG 4.47Å; L461-I507 HydrophobicContact CB-CG1 4.04Å; L461-I507 HydrophobicContact CD2-CB 4.16Å; L461-I507 HydrophobicContact CD2-CG1 3.9Å; L461-I507 HydrophobicContact CD2-CG2 4.43Å; L461-I507 VanDerWaalsContact O-CD1 3.23Å; L461-I507 WeakPolarHBondContact O-CD1 3.38Å; L461-I507 WeakPolarHBondContact O-CG1 3.29Å
462	K	97.1	Very high	94.5	Very high	64 Å²	64	26.4 Å²	26.4	28%	0.278	15%	0.149	S	C	.	.	H	α-helix	trans	-62.4	-41.6	175.3	-67.5	174.4	-177.3	-175	0	112.2	L418 L458 L459 L460 G465 A466 Y503	L418-K462 HydrophobicContact CD1-CB 3.87Å; L418-K462 HydrophobicContact CD2-CB 3.74Å; L418-K462 HydrophobicContact CD2-CD 3.94Å; L418-K462 HydrophobicContact CD2-CG 4.47Å; L418-K462 HydrophobicContact CG-CB 4.46Å; L458-K462 WeakPolarHBondContact O-CG 3.38Å; L458-K462 PolarHBondContact O-N 3.41Å; L459-K462 WeakPolarHBondContact O-CB 3.32Å; L459-K462 PolarHBondContact O-N 3.21Å; L459-K462 VanDerWaalsContact O-N 3.15Å; L460-K462 VanDerWaalsContact C-N 3.34Å; L460-K462 PolarHBondContact O-N 3.28Å; K462-G465 PolarHBondContact O-N 3.31Å; K462-A466 PolarHBondContact O-N 2.8Å; K462-Y503 WeakPolarHBondContact CE-OH 3.35Å; K462-Y503 HydrophobicContact CG-CD1 4.28Å; K462-Y503 HydrophobicContact CG-CE1 3.78Å
463	C	97.4	Very high	94.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.6	-42.7	174.6	-65.7	0	0	0	0	111.9	L417 L421 L444 L459 L460 L461 A466 M467	L417-C463 HydrophobicContact CD2-CB 4.33Å; L421-C463 HydrophobicContact CD1-CB 4.24Å; L444-C463 HydrophobicContact CD2-CB 4.48Å; L459-C463 PolarHBondContact O-N 2.95Å; L459-C463 PolarHBondContact O-SG 3.49Å; L460-C463 WeakPolarHBondContact O-CB 3.42Å; L460-C463 PolarHBondContact O-N 2.93Å; L461-C463 PolarHBondContact O-N 2.9Å; C463-A466 PolarHBondContact O-N 3.46Å; C463-M467 WeakPolarHBondContact O-CB 3.26Å; C463-M467 VanDerWaalsContact O-CG 3.29Å; C463-M467 WeakPolarHBondContact O-CG 3.28Å; C463-M467 PolarHBondContact O-N 2.9Å
464	F	98	Very high	95.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-41	174	-63.6	-47.9	0	0	0	111.7	L444 V445 Y448 L460 L461 A466 M467 C468 L478 L483 I507	L444-F464 HydrophobicContact CB-CE1 4.13Å; L444-F464 HydrophobicContact CB-CZ 4.44Å; L444-F464 HydrophobicContact CD2-CD1 4.48Å; L444-F464 HydrophobicContact CD2-CE1 3.92Å; L444-F464 HydrophobicContact CD2-CZ 4.44Å; L444-F464 HydrophobicContact CG-CE1 4.03Å; L444-F464 HydrophobicContact CG-CZ 4.18Å; V445-F464 HydrophobicContact CG2-CE1 3.81Å; V445-F464 HydrophobicContact CG2-CZ 3.93Å; Y448-F464 HydrophobicContact CD2-CE2 4.13Å; Y448-F464 HydrophobicContact CG-CE2 4.09Å; L460-F464 HydrophobicContact CB-CE2 4.2Å; L460-F464 WeakPolarHBondContact O-CD2 3.47Å; L460-F464 WeakPolarHBondContact O-CG 3.28Å; L460-F464 PolarHBondContact O-N 3.22Å; L461-F464 PolarHBondContact O-N 2.92Å; F464-A466 PolarHBondContact O-N 3.06Å; F464-M467 HydrophobicContact CD1-SD 4.28Å; F464-M467 WeakPolarHBondContact O-CB 3.46Å; F464-M467 PolarHBondContact O-N 2.94Å; F464-C468 PolarHBondContact O-N 3.48Å; F464-C468 PolarHBondContact O-SG 2.9Å; F464-L478 HydrophobicContact CD1-CD2 3.95Å; F464-L478 HydrophobicContact CE1-CD2 4.26Å; F464-L483 HydrophobicContact CD1-CD2 4.43Å; F464-L483 HydrophobicContact CD2-CD1 4.2Å; F464-L483 HydrophobicContact CD2-CD2 3.98Å; F464-L483 HydrophobicContact CE2-CD1 3.87Å; F464-L483 HydrophobicContact CE2-CD2 4.24Å; F464-L483 HydrophobicContact CG-CD2 4.1Å; F464-L483 HydrophobicContact CZ-CD1 4.46Å; F464-I507 HydrophobicContact CB-CG2 4.25Å
465	G	96.9	Very high	95.7	Very high	9 Å²	9	16.8 Å²	16.8	9%	0.093	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-42.8	174.6	0	0	0	0	0	113.1	L461 K462 C468 S469 M510	L461-G465 PolarHBondContact O-N 3.24Å; K462-G465 PolarHBondContact O-N 3.31Å; G465-C468 PolarHBondContact O-N 3.26Å; G465-S469 PolarHBondContact O-N 2.76Å; G465-M510 WeakPolarHBondContact O-CE 3.29Å
466	A	97	Very high	96	Very high	11 Å²	11	16.1 Å²	16.1	9%	0.091	10%	0.1	C	C	.	.	H	α-helix	trans	-65.5	-39.8	172.8	0	0	0	0	0	111.9	L418 L421 K462 C463 F464 C468 S469	L418-A466 HydrophobicContact CD1-CB 4.08Å; L421-A466 HydrophobicContact CB-CB 3.83Å; L421-A466 HydrophobicContact CD1-CB 4.41Å; K462-A466 PolarHBondContact O-N 2.8Å; C463-A466 PolarHBondContact O-N 3.46Å; F464-A466 PolarHBondContact O-N 3.06Å; A466-C468 PolarHBondContact O-N 2.89Å; A466-S469 PolarHBondContact O-N 3.32Å; A466-S469 PolarHBondContact O-OG 2.93Å
467	M	96.8	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-39.9	174.1	-75	179	-175.8	0	0	112.8	F386 L421 V441 L444 C463 F464 S469 L470 I474	F386-M467 HydrophobicContact CE1-CE 3.84Å; F386-M467 HydrophobicContact CZ-CE 3.99Å; L421-M467 HydrophobicContact CD1-CE 3.89Å; L421-M467 HydrophobicContact CD1-CG 3.95Å; L421-M467 HydrophobicContact CD2-CG 4.27Å; V441-M467 HydrophobicContact CG1-SD 4.28Å; V441-M467 HydrophobicContact CG2-SD 4.17Å; L444-M467 HydrophobicContact CD2-CE 3.64Å; L444-M467 HydrophobicContact CD2-SD 4.38Å; C463-M467 WeakPolarHBondContact O-CB 3.26Å; C463-M467 VanDerWaalsContact O-CG 3.29Å; C463-M467 WeakPolarHBondContact O-CG 3.28Å; C463-M467 PolarHBondContact O-N 2.9Å; F464-M467 HydrophobicContact CD1-SD 4.28Å; F464-M467 WeakPolarHBondContact O-CB 3.46Å; F464-M467 PolarHBondContact O-N 2.94Å; M467-S469 VanDerWaalsContact C-N 3.27Å; M467-S469 PolarHBondContact O-N 3.46Å; M467-L470 WeakPolarHBondContact O-CB 3.38Å; M467-L470 PolarHBondContact O-N 3.45Å; M467-I474 HydrophobicContact CB-CG2 4.03Å
468	C	96.8	Very high	96.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.9	-29.8	176	-66.9	0	0	0	0	112.8	F464 G465 A466 L470 I475 L478 F604 H606	F464-C468 PolarHBondContact O-N 3.48Å; F464-C468 PolarHBondContact O-SG 2.9Å; G465-C468 PolarHBondContact O-N 3.26Å; A466-C468 PolarHBondContact O-N 2.89Å; C468-L470 VanDerWaalsContact C-N 3.28Å; C468-L470 PolarHBondContact O-N 3.34Å; C468-I475 HydrophobicContact CB-CD1 4.24Å; C468-I475 HydrophobicContact CB-CG1 3.92Å; C468-L478 VanDerWaalsContact SG-CD1 3.54Å; C468-F604 HydrophobicContact CB-CE1 4.28Å; C468-F604 HydrophobicContact CB-CE2 3.83Å; C468-F604 HydrophobicContact CB-CZ 3.43Å; C468-F604 VanDerWaalsContact CB-CZ 3.43Å; C468-H606 PolarHBondContact O-NE2 3.41Å
469	S	95	Very high	96.5	Very high	65 Å²	65	15.6 Å²	15.6	46%	0.455	10%	0.099	S	C	.	.	H	α-helix	trans	-72.5	-20.9	177.9	77.8	0	0	0	0	113.5	G465 A466 M467	G465-S469 PolarHBondContact O-N 2.76Å; A466-S469 PolarHBondContact O-N 3.32Å; A466-S469 PolarHBondContact O-OG 2.93Å; M467-S469 VanDerWaalsContact C-N 3.27Å; M467-S469 PolarHBondContact O-N 3.46Å
470	L	93.8	Very high	96.5	Very high	16 Å²	16	17.6 Å²	17.6	8%	0.084	12%	0.115	C	C	.	.	H	α-helix	trans	-74	-50.1	-176.9	-64.5	173.7	0	0	0	113	L421 P426 C429 K430 M467 C468 I474	L421-L470 HydrophobicContact CD2-CD1 3.97Å; P426-L470 HydrophobicContact CB-CD2 4.12Å; C429-L470 HydrophobicContact CB-CD1 3.57Å; C429-L470 HydrophobicContact CB-CD2 3.98Å; C429-L470 HydrophobicContact CB-CG 4.46Å; K430-L470 WeakPolarHBondContact CE-O 3.38Å; K430-L470 HydrophobicContact CG-CB 3.93Å; M467-L470 WeakPolarHBondContact O-CB 3.38Å; M467-L470 PolarHBondContact O-N 3.45Å; C468-L470 VanDerWaalsContact C-N 3.28Å; C468-L470 PolarHBondContact O-N 3.34Å; L470-I474 HydrophobicContact CB-CD1 4.06Å; L470-I474 HydrophobicContact CD1-CD1 4.42Å
471	D	94.4	Very high	96.6	Very high	31 Å²	31	18.2 Å²	18.2	17%	0.166	12%	0.119	C	C	.	.			trans	-162.3	138.3	-167.2	-166.3	-92.1	0	0	0	114.1	K430 K434 A473 I474 I475	K430-D471 HydrophobicContact CD-CB 4.29Å; K430-D471 HydrophobicContact CG-CB 4.17Å; K434-D471 WeakPolarHBondContact CE-OD1 3.28Å; K434-D471 WeakPolarHBondContact CE-OD2 3.47Å; K434-D471 IonicContact NZ-OD1 3.47Å; K434-D471 PolarHBondContact NZ-OD1 2.88Å; K434-D471 IonicContact NZ-OD2 2.71Å; K434-D471 PolarHBondContact NZ-OD2 3.18Å; D471-A473 VanDerWaalsContact C-N 3.31Å; D471-A473 PolarHBondContact O-N 3.4Å; D471-A473 VanDerWaalsContact OD1-CB 3.3Å; D471-A473 WeakPolarHBondContact OD1-CB 3.27Å; D471-A473 PolarHBondContact OD1-N 3.23Å; D471-I474 HydrophobicContact CB-CD1 3.94Å; D471-I474 HydrophobicContact CB-CG1 4.17Å; D471-I474 WeakPolarHBondContact O-CB 3.2Å; D471-I474 PolarHBondContact O-N 2.85Å; D471-I474 VanDerWaalsContact O-N 3.11Å; D471-I475 PolarHBondContact O-N 3.3Å
472	A	95.3	Very high	96.5	Very high	18 Å²	18	20.8 Å²	20.8	15%	0.149	14%	0.135	C	C	.	.	H	α-helix	trans	-55.4	-39.7	178.2	0	0	0	0	0	113.7	I474 I475 S476 M514 H606	A472-I474 PolarHBondContact O-N 3.46Å; A472-I475 WeakPolarHBondContact O-CA 3.36Å; A472-I475 VanDerWaalsContact O-CB 3.29Å; A472-I475 WeakPolarHBondContact O-CB 3.38Å; A472-I475 PolarHBondContact O-N 3.31Å; A472-S476 PolarHBondContact O-N 2.9Å; A472-S476 PolarHBondContact O-OG 3.35Å; A472-M514 HydrophobicContact CB-CE 4.28Å; A472-H606 HydrophobicContact CB-CB 4.08Å
473	A	96.2	Very high	96.5	Very high	35 Å²	35	17.8 Å²	17.8	29%	0.289	12%	0.122	S	C	.	.	H	α-helix	trans	-68.8	-21	-177.3	0	0	0	0	0	112.7	F438 D471 T477	F438-A473 HydrophobicContact CE1-CB 4.41Å; F438-A473 HydrophobicContact CZ-CB 3.85Å; D471-A473 VanDerWaalsContact C-N 3.31Å; D471-A473 PolarHBondContact O-N 3.4Å; D471-A473 VanDerWaalsContact OD1-CB 3.3Å; D471-A473 WeakPolarHBondContact OD1-CB 3.27Å; D471-A473 PolarHBondContact OD1-N 3.23Å; A473-T477 WeakPolarHBondContact O-CB 3.3Å; A473-T477 PolarHBondContact O-N 2.61Å; A473-T477 VanDerWaalsContact O-N 3.09Å; A473-T477 PolarHBondContact O-OG1 2.66Å
474	I	96.8	Very high	96.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.7	-39.4	170.3	-56.4	167.6	0	0	0	109.6	C433 F438 V441 M467 L470 D471 A472 T477 L478	C433-I474 HydrophobicContact CB-CD1 3.75Å; C433-I474 HydrophobicContact CB-CG1 4.34Å; F438-I474 HydrophobicContact CD1-CG1 4.28Å; F438-I474 HydrophobicContact CE1-CG1 3.85Å; V441-I474 HydrophobicContact CG1-CG2 4.36Å; V441-I474 HydrophobicContact CG2-CG2 4.4Å; M467-I474 HydrophobicContact CB-CG2 4.03Å; L470-I474 HydrophobicContact CB-CD1 4.06Å; L470-I474 HydrophobicContact CD1-CD1 4.42Å; D471-I474 HydrophobicContact CB-CD1 3.94Å; D471-I474 HydrophobicContact CB-CG1 4.17Å; D471-I474 WeakPolarHBondContact O-CB 3.2Å; D471-I474 PolarHBondContact O-N 2.85Å; D471-I474 VanDerWaalsContact O-N 3.11Å; A472-I474 PolarHBondContact O-N 3.46Å; I474-T477 WeakPolarHBondContact O-CB 3.46Å; I474-T477 PolarHBondContact O-N 3.14Å; I474-L478 HydrophobicContact CG2-CD1 3.99Å; I474-L478 HydrophobicContact CG2-CG 4.31Å; I474-L478 WeakPolarHBondContact O-CB 3.27Å; I474-L478 VanDerWaalsContact O-CG 3.26Å; I474-L478 WeakPolarHBondContact O-CG 3.22Å; I474-L478 PolarHBondContact O-N 2.8Å
475	I	96.9	Very high	96.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-49.4	171.8	-62.3	174.7	0	0	0	110.6	C468 D471 A472 T477 L478 V479 V511 M514 F604	C468-I475 HydrophobicContact CB-CD1 4.24Å; C468-I475 HydrophobicContact CB-CG1 3.92Å; D471-I475 PolarHBondContact O-N 3.3Å; A472-I475 WeakPolarHBondContact O-CA 3.36Å; A472-I475 VanDerWaalsContact O-CB 3.29Å; A472-I475 WeakPolarHBondContact O-CB 3.38Å; A472-I475 PolarHBondContact O-N 3.31Å; I475-T477 PolarHBondContact O-N 3.24Å; I475-L478 PolarHBondContact O-N 3.12Å; I475-L478 VanDerWaalsContact O-N 3.07Å; I475-V479 WeakPolarHBondContact O-CG1 3.29Å; I475-V479 PolarHBondContact O-N 3.38Å; I475-V511 WeakPolarHBondContact CG2-O 3.19Å; I475-M514 HydrophobicContact CB-CG 4.27Å; I475-M514 HydrophobicContact CD1-CG 4Å; I475-M514 HydrophobicContact CD1-SD 4.39Å; I475-M514 HydrophobicContact CG2-CB 4.46Å; I475-M514 HydrophobicContact CG2-CG 3.81Å; I475-F604 HydrophobicContact CD1-CD2 3.73Å; I475-F604 HydrophobicContact CD1-CE2 3.77Å
476	S	96.7	Very high	96.4	Very high	30 Å²	30	18.6 Å²	18.6	21%	0.21	13%	0.125	C	C	.	.	H	α-helix	trans	-54.4	-39.5	175.8	-46.8	0	0	0	0	112.5	A472 S480 E516	A472-S476 PolarHBondContact O-N 2.9Å; A472-S476 PolarHBondContact O-OG 3.35Å; S476-S480 VanDerWaalsContact O-CB 3.25Å; S476-S480 WeakPolarHBondContact O-CB 3.47Å; S476-S480 PolarHBondContact O-N 3.07Å; S476-S480 PolarHBondContact O-OG 2.84Å; S476-E516 WeakPolarHBondContact CA-OE2 3.11Å; S476-E516 WeakPolarHBondContact CB-OE2 3.23Å; S476-E516 VanDerWaalsContact OG-CD 3.27Å; S476-E516 PolarHBondContact OG-OE1 3.46Å; S476-E516 VanDerWaalsContact OG-OE1 3.07Å; S476-E516 PolarHBondContact OG-OE2 3.48Å
477	T	97.6	Very high	96.4	Very high	24 Å²	24	18.1 Å²	18.1	15%	0.147	12%	0.121	C	C	.	.	H	α-helix	trans	-68.6	-46.1	176.1	-59	0	0	0	0	111.6	F438 L442 A473 I474 I475 S480 S481	F438-T477 HydrophobicContact CB-CG2 3.74Å; F438-T477 HydrophobicContact CD1-CG2 4.39Å; F438-T477 HydrophobicContact CD2-CG2 4.35Å; F438-T477 WeakPolarHBondContact CD2-OG1 3.47Å; F438-T477 HydrophobicContact CG-CG2 3.96Å; L442-T477 HydrophobicContact CD2-CG2 3.85Å; L442-T477 HydrophobicContact CG-CG2 4.17Å; A473-T477 WeakPolarHBondContact O-CB 3.3Å; A473-T477 PolarHBondContact O-N 2.61Å; A473-T477 VanDerWaalsContact O-N 3.09Å; A473-T477 PolarHBondContact O-OG1 2.66Å; I474-T477 WeakPolarHBondContact O-CB 3.46Å; I474-T477 PolarHBondContact O-N 3.14Å; I475-T477 PolarHBondContact O-N 3.24Å; T477-S480 PolarHBondContact O-N 3.38Å; T477-S481 WeakPolarHBondContact O-CB 3.35Å; T477-S481 PolarHBondContact O-N 2.98Å; T477-S481 VanDerWaalsContact O-N 3.11Å
478	L	97.6	Very high	96.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-43.6	-179	-72.2	170.4	0	0	0	111.8	V441 V445 F464 C468 I474 I475 S480 S481 L483 V511	V441-L478 HydrophobicContact CG1-CD2 3.53Å; V441-L478 HydrophobicContact CG1-CG 4.07Å; V445-L478 HydrophobicContact CG2-CD2 3.73Å; F464-L478 HydrophobicContact CD1-CD2 3.95Å; F464-L478 HydrophobicContact CE1-CD2 4.26Å; C468-L478 VanDerWaalsContact SG-CD1 3.54Å; I474-L478 HydrophobicContact CG2-CD1 3.99Å; I474-L478 HydrophobicContact CG2-CG 4.31Å; I474-L478 WeakPolarHBondContact O-CB 3.27Å; I474-L478 VanDerWaalsContact O-CG 3.26Å; I474-L478 WeakPolarHBondContact O-CG 3.22Å; I474-L478 PolarHBondContact O-N 2.8Å; I475-L478 PolarHBondContact O-N 3.12Å; I475-L478 VanDerWaalsContact O-N 3.07Å; L478-S480 VanDerWaalsContact C-N 3.33Å; L478-S480 PolarHBondContact O-N 3.24Å; L478-S481 WeakPolarHBondContact O-CB 3.28Å; L478-S481 PolarHBondContact O-N 2.99Å; L478-S481 PolarHBondContact O-OG 3.37Å; L478-L483 HydrophobicContact CD2-CD2 3.87Å; L478-V511 HydrophobicContact CB-CG1 3.9Å; L478-V511 HydrophobicContact CD1-CG1 4.33Å
479	V	96.9	Very high	96.3	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-70.3	-28.3	178.9	78.3	0	0	0	0	112.7	I475 S481 P484 V511 F512 V518	I475-V479 WeakPolarHBondContact O-CG1 3.29Å; I475-V479 PolarHBondContact O-N 3.38Å; V479-S481 VanDerWaalsContact C-N 3.34Å; V479-P484 HydrophobicContact CG2-CG 4.43Å; V479-V511 HydrophobicContact CB-CB 4.36Å; V479-F512 HydrophobicContact CG2-CD1 4.07Å; V479-F512 HydrophobicContact CG2-CE1 3.88Å; V479-F512 HydrophobicContact CG2-CE2 4.41Å; V479-F512 HydrophobicContact CG2-CG 4.43Å; V479-F512 HydrophobicContact CG2-CZ 4.03Å; V479-V518 HydrophobicContact CG2-CG2 3.63Å
480	S	96.4	Very high	96.2	Very high	62 Å²	62	20.9 Å²	20.9	43%	0.434	12%	0.122	S	C	.	.	H	α-helix	trans	-80	-14.8	173.4	-59.3	0	0	0	0	113.8	S476 T477 L478 H522	S476-S480 VanDerWaalsContact O-CB 3.25Å; S476-S480 WeakPolarHBondContact O-CB 3.47Å; S476-S480 PolarHBondContact O-N 3.07Å; S476-S480 PolarHBondContact O-OG 2.84Å; T477-S480 PolarHBondContact O-N 3.38Å; L478-S480 VanDerWaalsContact C-N 3.33Å; L478-S480 PolarHBondContact O-N 3.24Å; S480-H522 PolarHBondContact O-NE2 3.11Å
481	S	96.6	Very high	96.2	Very high	12 Å²	12	20.1 Å²	20.1	8%	0.084	12%	0.118	C	C	.	.	S	Bend	trans	-81.9	179.2	-178.9	82	0	0	0	0	112.5	T477 L478 V479 L483 P484 H522	T477-S481 WeakPolarHBondContact O-CB 3.35Å; T477-S481 PolarHBondContact O-N 2.98Å; T477-S481 VanDerWaalsContact O-N 3.11Å; L478-S481 WeakPolarHBondContact O-CB 3.28Å; L478-S481 PolarHBondContact O-N 2.99Å; L478-S481 PolarHBondContact O-OG 3.37Å; V479-S481 VanDerWaalsContact C-N 3.34Å; S481-L483 PolarHBondContact O-N 3.42Å; S481-L483 WeakPolarHBondContact OG-CB 3.25Å; S481-L483 PolarHBondContact OG-N 2.96Å; S481-L483 VanDerWaalsContact OG-N 3.11Å; S481-P484 WeakPolarHBondContact O-CD 3.29Å; S481-H522 PolarHBondContact O-NE2 2.97Å
482	V	96.2	Very high	96.2	Very high	55 Å²	55	22.2 Å²	22.2	33%	0.333	13%	0.127	S	C	.	.	S	Bend	trans	-71.2	-8.1	172.9	71.4	0	0	0	0	113.7	V445 V485 E486	V445-V482 HydrophobicContact CG1-CG1 3.78Å; V482-V485 HydrophobicContact CG2-CB 4.45Å; V482-V485 PolarHBondContact O-N 2.91Å; V482-E486 PolarHBondContact O-N 3.25Å
483	L	97.3	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-54.5	-48.8	-175.2	-177.3	64.1	0	0	0	113.3	V445 Y448 F464 L478 S481 V485 E486 L487	V445-L483 HydrophobicContact CG1-CB 3.84Å; V445-L483 HydrophobicContact CG2-CB 4.11Å; V445-L483 HydrophobicContact CG2-CD2 4.36Å; Y448-L483 HydrophobicContact CD1-CD1 3.93Å; Y448-L483 HydrophobicContact CE1-CD1 4.22Å; Y448-L483 HydrophobicContact CG-CD1 4.48Å; F464-L483 HydrophobicContact CD1-CD2 4.43Å; F464-L483 HydrophobicContact CD2-CD1 4.2Å; F464-L483 HydrophobicContact CD2-CD2 3.98Å; F464-L483 HydrophobicContact CE2-CD1 3.87Å; F464-L483 HydrophobicContact CE2-CD2 4.24Å; F464-L483 HydrophobicContact CG-CD2 4.1Å; F464-L483 HydrophobicContact CZ-CD1 4.46Å; L478-L483 HydrophobicContact CD2-CD2 3.87Å; S481-L483 PolarHBondContact O-N 3.42Å; S481-L483 WeakPolarHBondContact OG-CB 3.25Å; S481-L483 PolarHBondContact OG-N 2.96Å; S481-L483 VanDerWaalsContact OG-N 3.11Å; L483-V485 VanDerWaalsContact C-N 3.27Å; L483-V485 PolarHBondContact O-N 3.44Å; L483-E486 PolarHBondContact O-N 2.93Å; L483-L487 HydrophobicContact CD1-CD1 4.02Å; L483-L487 HydrophobicContact CD1-CD2 4.25Å; L483-L487 HydrophobicContact CD1-CG 3.92Å; L483-L487 HydrophobicContact CD2-CD1 4.44Å; L483-L487 HydrophobicContact CG-CD1 3.86Å; L483-L487 HydrophobicContact CG-CG 4.18Å; L483-L487 VanDerWaalsContact O-CG 3.29Å; L483-L487 WeakPolarHBondContact O-CG 3.25Å; L483-L487 PolarHBondContact O-N 2.84Å
484	P	97.5	Very high	95.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-34.3	-176.7	-21.2	35	0	0	0	113	V479 S481 A488 L508 V511 F512 L526	V479-P484 HydrophobicContact CG2-CG 4.43Å; S481-P484 WeakPolarHBondContact O-CD 3.29Å; P484-A488 WeakPolarHBondContact O-CB 3.47Å; P484-A488 PolarHBondContact O-N 2.86Å; P484-L508 HydrophobicContact CB-CD2 3.9Å; P484-V511 HydrophobicContact CG-CG2 4.37Å; P484-F512 HydrophobicContact CB-CE2 3.92Å; P484-F512 HydrophobicContact CB-CZ 4.25Å; P484-F512 HydrophobicContact CG-CE2 4.5Å; P484-L526 HydrophobicContact CB-CD1 3.74Å
485	V	96.8	Very high	95.1	Very high	21 Å²	21	29.1 Å²	29.1	13%	0.127	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-45.5	176.5	170.8	0	0	0	0	111.1	V482 L483 A488 R489 H522 H525	V482-V485 HydrophobicContact CG2-CB 4.45Å; V482-V485 PolarHBondContact O-N 2.91Å; L483-V485 VanDerWaalsContact C-N 3.27Å; L483-V485 PolarHBondContact O-N 3.44Å; V485-A488 PolarHBondContact O-N 3.1Å; V485-R489 WeakPolarHBondContact O-CB 3.49Å; V485-R489 PolarHBondContact O-N 3.43Å; V485-H522 HydrophobicContact CG2-CB 4.11Å; V485-H525 HydrophobicContact CG1-CB 3.98Å
486	E	95.6	Very high	94.4	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-65.7	-39.1	177.4	178.8	60.6	-169.7	0	0	111.8	Y448 Q449 R457 V482 L483 R489 D490	Y448-E486 HydrophobicContact CD1-CG 3.95Å; Y448-E486 HydrophobicContact CE1-CG 3.81Å; Q449-E486 HydrophobicContact CG-CG 4.45Å; R457-E486 IonicContact CZ-OE1 3.81Å; R457-E486 IonicContact NH1-OE1 3.96Å; R457-E486 PolarHBondContact NH1-OE1 3.38Å; R457-E486 IonicContact NH2-OE1 3.68Å; R457-E486 PolarHBondContact NH2-OE1 2.89Å; V482-E486 PolarHBondContact O-N 3.25Å; L483-E486 PolarHBondContact O-N 2.93Å; E486-R489 PolarHBondContact O-N 3.29Å; E486-R489 IonicContact OE1-CZ 3.91Å; E486-R489 IonicContact OE1-NH2 3.42Å; E486-R489 PolarHBondContact OE1-NH2 3.07Å; E486-R489 IonicContact OE2-CZ 3.51Å; E486-R489 IonicContact OE2-NE 2.84Å; E486-R489 PolarHBondContact OE2-NE 3.49Å; E486-R489 IonicContact OE2-NH2 3.14Å; E486-R489 PolarHBondContact OE2-NH2 2.96Å; E486-D490 VanDerWaalsContact O-CB 3.24Å; E486-D490 WeakPolarHBondContact O-CB 3.38Å; E486-D490 PolarHBondContact O-N 3Å
487	L	96.9	Very high	94	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-48.2	175.3	-67.2	177.7	0	0	0	111.7	Y448 L461 L483 R489 D490 M491 I507 L508	Y448-L487 HydrophobicContact CE1-CD2 3.76Å; Y448-L487 VanDerWaalsContact OH-CD2 3.27Å; Y448-L487 WeakPolarHBondContact OH-CD2 3.38Å; L461-L487 HydrophobicContact CD2-CD2 3.52Å; L483-L487 HydrophobicContact CD1-CD1 4.02Å; L483-L487 HydrophobicContact CD1-CD2 4.25Å; L483-L487 HydrophobicContact CD1-CG 3.92Å; L483-L487 HydrophobicContact CD2-CD1 4.44Å; L483-L487 HydrophobicContact CG-CD1 3.86Å; L483-L487 HydrophobicContact CG-CG 4.18Å; L483-L487 VanDerWaalsContact O-CG 3.29Å; L483-L487 WeakPolarHBondContact O-CG 3.25Å; L483-L487 PolarHBondContact O-N 2.84Å; L487-R489 VanDerWaalsContact C-N 3.31Å; L487-R489 PolarHBondContact O-N 3.47Å; L487-D490 PolarHBondContact O-N 3.36Å; L487-M491 WeakPolarHBondContact O-CB 3.25Å; L487-M491 VanDerWaalsContact O-CG 3.23Å; L487-M491 WeakPolarHBondContact O-CG 3.27Å; L487-M491 PolarHBondContact O-N 3.17Å; L487-I507 HydrophobicContact CD1-CB 4.28Å; L487-I507 HydrophobicContact CD1-CG2 3.87Å; L487-L508 HydrophobicContact CB-CD1 3.98Å; L487-L508 HydrophobicContact CB-CD2 3.84Å; L487-L508 HydrophobicContact CB-CG 3.77Å; L487-L508 HydrophobicContact CD1-CD2 3.87Å; L487-L508 HydrophobicContact CD1-CG 3.84Å; L487-L508 HydrophobicContact CG-CD2 4.47Å; L487-L508 HydrophobicContact CG-CG 4.46Å
488	A	96.1	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.7	-44.8	177.2	0	0	0	0	0	112	P484 V485 M491 Q492 L526 F530	P484-A488 WeakPolarHBondContact O-CB 3.47Å; P484-A488 PolarHBondContact O-N 2.86Å; V485-A488 PolarHBondContact O-N 3.1Å; A488-M491 PolarHBondContact O-N 2.73Å; A488-Q492 WeakPolarHBondContact O-CG 3.42Å; A488-Q492 PolarHBondContact O-N 2.98Å; A488-Q492 VanDerWaalsContact O-N 3.12Å; A488-L526 HydrophobicContact CB-CD2 3.61Å; A488-L526 HydrophobicContact CB-CG 4.06Å; A488-F530 HydrophobicContact CB-CD2 3.94Å; A488-F530 HydrophobicContact CB-CE1 4.36Å; A488-F530 HydrophobicContact CB-CE2 3.68Å; A488-F530 HydrophobicContact CB-CG 4.41Å; A488-F530 HydrophobicContact CB-CZ 3.9Å
489	R	95.1	Very high	93.3	Very high	108 Å²	108	42.1 Å²	42.1	41%	0.408	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-44.8	176.4	-171.4	-177.1	77.4	92.7	-0.2	112.2	V485 E486 L487 Q492 T493	V485-R489 WeakPolarHBondContact O-CB 3.49Å; V485-R489 PolarHBondContact O-N 3.43Å; E486-R489 PolarHBondContact O-N 3.29Å; E486-R489 IonicContact OE1-CZ 3.91Å; E486-R489 IonicContact OE1-NH2 3.42Å; E486-R489 PolarHBondContact OE1-NH2 3.07Å; E486-R489 IonicContact OE2-CZ 3.51Å; E486-R489 IonicContact OE2-NE 2.84Å; E486-R489 PolarHBondContact OE2-NE 3.49Å; E486-R489 IonicContact OE2-NH2 3.14Å; E486-R489 PolarHBondContact OE2-NH2 2.96Å; L487-R489 VanDerWaalsContact C-N 3.31Å; L487-R489 PolarHBondContact O-N 3.47Å; R489-Q492 PolarHBondContact O-N 2.9Å; R489-T493 VanDerWaalsContact O-CB 3.29Å; R489-T493 WeakPolarHBondContact O-CB 3.44Å; R489-T493 PolarHBondContact O-N 3.24Å; R489-T493 PolarHBondContact O-OG1 3.11Å
490	D	93.9	Very high	93.1	Very high	15 Å²	15	42.1 Å²	42.1	8%	0.08	22%	0.219	C	C	.	.	H	α-helix	trans	-65.8	-41.9	179.1	-176.8	56.9	0	0	0	111.7	R457 E486 L487 Q492 T493 D494 K500	R457-D490 IonicContact NH1-OD1 3.77Å; R457-D490 PolarHBondContact NH1-OD1 3.35Å; R457-D490 IonicContact NH1-OD2 3.72Å; E486-D490 VanDerWaalsContact O-CB 3.24Å; E486-D490 WeakPolarHBondContact O-CB 3.38Å; E486-D490 PolarHBondContact O-N 3Å; L487-D490 PolarHBondContact O-N 3.36Å; D490-Q492 VanDerWaalsContact C-N 3.35Å; D490-Q492 PolarHBondContact O-N 3.23Å; D490-T493 PolarHBondContact O-N 3.22Å; D490-D494 PolarHBondContact O-N 3.27Å; D490-K500 IonicContact OD1-NZ 2.81Å; D490-K500 PolarHBondContact OD1-NZ 3.15Å; D490-K500 WeakPolarHBondContact OD2-CD 3.24Å; D490-K500 IonicContact OD2-NZ 2.68Å; D490-K500 PolarHBondContact OD2-NZ 2.88Å
491	M	94.3	Very high	92.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-39.6	175.2	-69.3	-179.7	67.2	0	0	112.8	L487 A488 T495 L501 A505 L508 F530 F533 L534 L557	L487-M491 WeakPolarHBondContact O-CB 3.25Å; L487-M491 VanDerWaalsContact O-CG 3.23Å; L487-M491 WeakPolarHBondContact O-CG 3.27Å; L487-M491 PolarHBondContact O-N 3.17Å; A488-M491 PolarHBondContact O-N 2.73Å; M491-T495 VanDerWaalsContact O-CG2 3.26Å; M491-T495 WeakPolarHBondContact O-CG2 3.43Å; M491-L501 HydrophobicContact CB-CD1 3.69Å; M491-L501 HydrophobicContact CE-CD1 3.84Å; M491-L501 HydrophobicContact CG-CD1 3.72Å; M491-A505 HydrophobicContact CE-CB 3.77Å; M491-L508 HydrophobicContact SD-CD1 3.58Å; M491-L508 VanDerWaalsContact SD-CD1 3.58Å; M491-F530 HydrophobicContact SD-CZ 4.18Å; M491-F533 HydrophobicContact CB-CE1 4.16Å; M491-F533 WeakPolarHBondContact O-CZ 3.43Å; M491-L534 HydrophobicContact CE-CD2 4.1Å; M491-L557 HydrophobicContact CE-CD2 4.3Å
492	Q	93.1	Very high	92.8	Very high	76 Å²	76	39.1 Å²	39.1	36%	0.355	20%	0.198	S	C	.	.	H	α-helix	trans	-77.2	-25.7	177.9	-71	179.2	-42.8	0	0	113.5	A488 R489 D490 F530 F533	A488-Q492 WeakPolarHBondContact O-CG 3.42Å; A488-Q492 PolarHBondContact O-N 2.98Å; A488-Q492 VanDerWaalsContact O-N 3.12Å; R489-Q492 PolarHBondContact O-N 2.9Å; D490-Q492 VanDerWaalsContact C-N 3.35Å; D490-Q492 PolarHBondContact O-N 3.23Å; Q492-F530 HydrophobicContact CG-CD2 4.03Å; Q492-F530 HydrophobicContact CG-CE2 4.34Å; Q492-F533 HydrophobicContact CG-CD1 3.84Å; Q492-F533 HydrophobicContact CG-CD2 4.38Å; Q492-F533 HydrophobicContact CG-CE1 3.91Å; Q492-F533 HydrophobicContact CG-CE2 4.44Å; Q492-F533 HydrophobicContact CG-CG 4.07Å; Q492-F533 HydrophobicContact CG-CZ 4.21Å
493	T	91.6	Very high	92.8	Very high	106 Å²	106	40 Å²	40	65%	0.65	20%	0.196	S	C	*	.	H	α-helix	trans	-90.5	-43	-175.3	-54.7	0	0	0	0	112.4	R489 D490	R489-T493 VanDerWaalsContact O-CB 3.29Å; R489-T493 WeakPolarHBondContact O-CB 3.44Å; R489-T493 PolarHBondContact O-N 3.24Å; R489-T493 PolarHBondContact O-OG1 3.11Å; D490-T493 PolarHBondContact O-N 3.22Å
494	D	86.9	Confident	92.7	Very high	54 Å²	54	40 Å²	40	29%	0.289	20%	0.196	S	C	.	.			trans	-121.9	85.9	-178.2	177.4	19.9	0	0	0	110.6	D490 Q496 K500	D490-D494 PolarHBondContact O-N 3.27Å; D494-Q496 PolarHBondContact OD1-N 3.04Å; D494-K500 PolarHBondContact O-NZ 3.24Å; D494-K500 WeakPolarHBondContact OD2-CE 3.48Å; D494-K500 IonicContact OD2-NZ 2.67Å; D494-K500 PolarHBondContact OD2-NZ 3.47Å
495	T	86.3	Confident	92.7	Very high	37 Å²	37	40 Å²	40	23%	0.227	20%	0.196	C	C	.	.			trans	-88.5	1.1	175.8	54.7	0	0	0	0	113.6	M491 F533	M491-T495 VanDerWaalsContact O-CG2 3.26Å; M491-T495 WeakPolarHBondContact O-CG2 3.43Å; T495-F533 HydrophobicContact CG2-CE2 4.16Å; T495-F533 HydrophobicContact CG2-CZ 4.19Å
496	Q	83.9	Confident	92.7	Very high	137 Å²	137	41.6 Å²	41.6	64%	0.64	20%	0.204	S	C	*	.	S	Bend	trans	-87.4	-32.8	-175.8	-59.2	-59.8	-71.4	0	0	112	D494 H498	D494-Q496 PolarHBondContact OD1-N 3.04Å; Q496-H498 PolarHBondContact O-N 2.93Å; Q496-H498 VanDerWaalsContact O-N 3.14Å
497	D	87.3	Confident	92.8	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.251	20%	0.203	S	C	.	.			trans	-81.6	86.9	171.4	-172.8	-17.8	0	0	0	110.6	Q499 K500 L501	D497-Q499 PolarHBondContact O-N 3.37Å; D497-Q499 PolarHBondContact OD1-N 3.4Å; D497-Q499 VanDerWaalsContact OD1-N 3.14Å; D497-K500 HydrophobicContact CB-CB 3.93Å; D497-K500 PolarHBondContact O-N 3.02Å; D497-K500 PolarHBondContact OD1-N 3.37Å; D497-K500 WeakPolarHBondContact OD2-CB 3.46Å; D497-L501 VanDerWaalsContact O-CB 3.29Å; D497-L501 WeakPolarHBondContact O-CB 3.47Å; D497-L501 PolarHBondContact O-N 3.4Å
498	H	89.4	Confident	92.9	Very high	43 Å²	43	41.5 Å²	41.5	20%	0.199	20%	0.203	C	C	.	.	H	α-helix	trans	-54.6	-38.3	176.7	169.3	88.6	0	0	0	112.5	Q496 L501 C502 D545	Q496-H498 PolarHBondContact O-N 2.93Å; Q496-H498 VanDerWaalsContact O-N 3.14Å; H498-L501 PolarHBondContact O-N 3.18Å; H498-C502 PolarHBondContact CE1-SG 2.88Å; H498-C502 WeakPolarHBondContact O-CB 3.4Å; H498-C502 PolarHBondContact O-N 3.07Å; H498-C502 PolarHBondContact O-SG 3.29Å; H498-C502 VanDerWaalsContact O-SG 3.35Å; H498-D545 VanDerWaalsContact CE1-CG 3.41Å; H498-D545 IonicContact CE1-OD1 2.72Å; H498-D545 PolarHBondContact CE1-OD1 2.86Å; H498-D545 VanDerWaalsContact CE1-OD1 3.26Å; H498-D545 IonicContact CE1-OD2 3.18Å
499	Q	91.4	Very high	92.9	Very high	102 Å²	102	41.7 Å²	41.7	48%	0.477	20%	0.204	S	C	.	.	H	α-helix	trans	-68.5	-47.5	-178.2	-173.6	174.7	22.2	0	0	110.9	L458 D497 L501 C502 Y503	L458-Q499 HydrophobicContact CD1-CG 4.15Å; L458-Q499 HydrophobicContact CD2-CG 4.17Å; D497-Q499 PolarHBondContact O-N 3.37Å; D497-Q499 PolarHBondContact OD1-N 3.4Å; D497-Q499 VanDerWaalsContact OD1-N 3.14Å; Q499-L501 VanDerWaalsContact C-N 3.3Å; Q499-L501 PolarHBondContact O-N 3.44Å; Q499-C502 PolarHBondContact O-N 3.23Å; Q499-Y503 HydrophobicContact CG-CD2 4.14Å; Q499-Y503 HydrophobicContact CG-CE2 4.24Å; Q499-Y503 WeakPolarHBondContact O-CD2 3.48Å; Q499-Y503 PolarHBondContact O-N 2.89Å; Q499-Y503 VanDerWaalsContact O-N 3.09Å
500	K	91.4	Very high	93	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	19%	0.19	C	C	.	.	H	α-helix	trans	-58.8	-43.6	173.3	-178.7	179.1	65.1	78	0	111	L461 D490 D494 D497 Y503 S504	L461-K500 HydrophobicContact CD1-CG 4.47Å; D490-K500 IonicContact OD1-NZ 2.81Å; D490-K500 PolarHBondContact OD1-NZ 3.15Å; D490-K500 WeakPolarHBondContact OD2-CD 3.24Å; D490-K500 IonicContact OD2-NZ 2.68Å; D490-K500 PolarHBondContact OD2-NZ 2.88Å; D494-K500 PolarHBondContact O-NZ 3.24Å; D494-K500 WeakPolarHBondContact OD2-CE 3.48Å; D494-K500 IonicContact OD2-NZ 2.67Å; D494-K500 PolarHBondContact OD2-NZ 3.47Å; D497-K500 HydrophobicContact CB-CB 3.93Å; D497-K500 PolarHBondContact O-N 3.02Å; D497-K500 PolarHBondContact OD1-N 3.37Å; D497-K500 WeakPolarHBondContact OD2-CB 3.46Å; K500-Y503 PolarHBondContact O-N 3.18Å; K500-S504 WeakPolarHBondContact O-CB 3.3Å; K500-S504 PolarHBondContact O-N 2.9Å; K500-S504 PolarHBondContact O-OG 3.09Å; K500-S504 VanDerWaalsContact O-OG 3.06Å
501	L	93.1	Very high	93.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-45.9	-179.4	-173.6	58.1	0	0	0	112.4	M491 D497 H498 Q499 S504 A505 L542 L550	M491-L501 HydrophobicContact CB-CD1 3.69Å; M491-L501 HydrophobicContact CE-CD1 3.84Å; M491-L501 HydrophobicContact CG-CD1 3.72Å; D497-L501 VanDerWaalsContact O-CB 3.29Å; D497-L501 WeakPolarHBondContact O-CB 3.47Å; D497-L501 PolarHBondContact O-N 3.4Å; H498-L501 PolarHBondContact O-N 3.18Å; Q499-L501 VanDerWaalsContact C-N 3.3Å; Q499-L501 PolarHBondContact O-N 3.44Å; L501-S504 PolarHBondContact O-N 2.85Å; L501-A505 PolarHBondContact O-N 3.26Å; L501-L542 HydrophobicContact CD2-CD1 3.5Å; L501-L542 VanDerWaalsContact CD2-CD1 3.5Å; L501-L550 HydrophobicContact CD2-CD2 3.48Å; L501-L550 VanDerWaalsContact CD2-CD2 3.48Å; L501-L550 HydrophobicContact CG-CD1 3.99Å; L501-L550 HydrophobicContact CG-CD2 3.9Å
502	C	94.5	Very high	93.3	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.081	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-45.4	174.3	-72.3	0	0	0	0	112.4	H498 Q499 A505 L506 L553	H498-C502 PolarHBondContact CE1-SG 2.88Å; H498-C502 WeakPolarHBondContact O-CB 3.4Å; H498-C502 PolarHBondContact O-N 3.07Å; H498-C502 PolarHBondContact O-SG 3.29Å; H498-C502 VanDerWaalsContact O-SG 3.35Å; Q499-C502 PolarHBondContact O-N 3.23Å; C502-A505 PolarHBondContact O-N 2.89Å; C502-L506 WeakPolarHBondContact O-CB 3.35Å; C502-L506 PolarHBondContact O-N 2.97Å; C502-L553 HydrophobicContact CB-CD1 3.73Å
503	Y	95.8	Very high	93.5	Very high	72 Å²	72	33.8 Å²	33.8	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-65.9	-37.3	175.6	-87.4	-83.6	0	0	0	112.5	L458 K462 Q499 K500 L506 I507	L458-Y503 HydrophobicContact CD1-CD2 3.36Å; L458-Y503 HydrophobicContact CD1-CE2 3.88Å; L458-Y503 HydrophobicContact CD1-CG 3.74Å; K462-Y503 WeakPolarHBondContact CE-OH 3.35Å; K462-Y503 HydrophobicContact CG-CD1 4.28Å; K462-Y503 HydrophobicContact CG-CE1 3.78Å; Q499-Y503 HydrophobicContact CG-CD2 4.14Å; Q499-Y503 HydrophobicContact CG-CE2 4.24Å; Q499-Y503 WeakPolarHBondContact O-CD2 3.48Å; Q499-Y503 PolarHBondContact O-N 2.89Å; Q499-Y503 VanDerWaalsContact O-N 3.09Å; K500-Y503 PolarHBondContact O-N 3.18Å; Y503-L506 PolarHBondContact O-N 3.07Å; Y503-I507 WeakPolarHBondContact O-CG1 3.33Å; Y503-I507 PolarHBondContact O-N 2.78Å
504	S	96.6	Very high	93.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-41.6	175.7	-65.6	0	0	0	0	111.8	K500 L501 L508	K500-S504 WeakPolarHBondContact O-CB 3.3Å; K500-S504 PolarHBondContact O-N 2.9Å; K500-S504 PolarHBondContact O-OG 3.09Å; K500-S504 VanDerWaalsContact O-OG 3.06Å; L501-S504 PolarHBondContact O-N 2.85Å; S504-L508 WeakPolarHBondContact O-CB 3.3Å; S504-L508 WeakPolarHBondContact O-CG 3.36Å; S504-L508 PolarHBondContact O-N 3.28Å
505	A	96.9	Very high	93.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-44	173.7	0	0	0	0	0	112	M491 L501 C502 L508 A509 L550 L553 L557	M491-A505 HydrophobicContact CE-CB 3.77Å; L501-A505 PolarHBondContact O-N 3.26Å; C502-A505 PolarHBondContact O-N 2.89Å; A505-L508 PolarHBondContact O-N 3.1Å; A505-A509 WeakPolarHBondContact O-CB 3.46Å; A505-A509 PolarHBondContact O-N 3.49Å; A505-L550 HydrophobicContact CB-CD1 4.37Å; A505-L553 HydrophobicContact CB-CB 4.04Å; A505-L557 HydrophobicContact CB-CD2 4.45Å
506	L	97.2	Very high	94.2	Very high	56 Å²	56	29.4 Å²	29.4	29%	0.293	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-48	177.3	177.7	61.2	0	0	0	112.2	C502 Y503 L508 A509 M510 L553 I603	C502-L506 WeakPolarHBondContact O-CB 3.35Å; C502-L506 PolarHBondContact O-N 2.97Å; Y503-L506 PolarHBondContact O-N 3.07Å; L506-L508 VanDerWaalsContact C-N 3.35Å; L506-L508 PolarHBondContact O-N 3.07Å; L506-A509 PolarHBondContact O-N 2.94Å; L506-M510 HydrophobicContact CD1-CG 4.36Å; L506-M510 HydrophobicContact CD1-SD 4.02Å; L506-M510 HydrophobicContact CD2-SD 4.47Å; L506-M510 HydrophobicContact CG-SD 3.79Å; L506-M510 VanDerWaalsContact O-CG 3.28Å; L506-M510 WeakPolarHBondContact O-CG 3.19Å; L506-M510 PolarHBondContact O-N 2.86Å; L506-L553 HydrophobicContact CB-CD2 4.31Å; L506-L553 HydrophobicContact CD1-CD2 4.33Å; L506-I603 HydrophobicContact CD1-CD1 4.47Å
507	I	97.9	Very high	94.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-65.6	-38.5	178.6	-63.5	-46.3	0	0	0	111.2	L461 F464 L487 Y503 M510 V511	L461-I507 HydrophobicContact CB-CG1 4.04Å; L461-I507 HydrophobicContact CD2-CB 4.16Å; L461-I507 HydrophobicContact CD2-CG1 3.9Å; L461-I507 HydrophobicContact CD2-CG2 4.43Å; L461-I507 VanDerWaalsContact O-CD1 3.23Å; L461-I507 WeakPolarHBondContact O-CD1 3.38Å; L461-I507 WeakPolarHBondContact O-CG1 3.29Å; F464-I507 HydrophobicContact CB-CG2 4.25Å; L487-I507 HydrophobicContact CD1-CB 4.28Å; L487-I507 HydrophobicContact CD1-CG2 3.87Å; Y503-I507 WeakPolarHBondContact O-CG1 3.33Å; Y503-I507 PolarHBondContact O-N 2.78Å; I507-M510 HydrophobicContact CD1-SD 3.69Å; I507-M510 PolarHBondContact O-N 3.3Å; I507-V511 HydrophobicContact CG2-CG1 4.43Å; I507-V511 PolarHBondContact O-N 3.46Å
508	L	97.6	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-46	171.6	-78.8	177	0	0	0	111.7	P484 L487 M491 S504 A505 L506 M510 V511 F512 F530 L557	P484-L508 HydrophobicContact CB-CD2 3.9Å; L487-L508 HydrophobicContact CB-CD1 3.98Å; L487-L508 HydrophobicContact CB-CD2 3.84Å; L487-L508 HydrophobicContact CB-CG 3.77Å; L487-L508 HydrophobicContact CD1-CD2 3.87Å; L487-L508 HydrophobicContact CD1-CG 3.84Å; L487-L508 HydrophobicContact CG-CD2 4.47Å; L487-L508 HydrophobicContact CG-CG 4.46Å; M491-L508 HydrophobicContact SD-CD1 3.58Å; M491-L508 VanDerWaalsContact SD-CD1 3.58Å; S504-L508 WeakPolarHBondContact O-CB 3.3Å; S504-L508 WeakPolarHBondContact O-CG 3.36Å; S504-L508 PolarHBondContact O-N 3.28Å; A505-L508 PolarHBondContact O-N 3.1Å; L506-L508 VanDerWaalsContact C-N 3.35Å; L506-L508 PolarHBondContact O-N 3.07Å; L508-M510 VanDerWaalsContact C-N 3.29Å; L508-M510 PolarHBondContact O-N 3.37Å; L508-V511 WeakPolarHBondContact O-CG2 3.37Å; L508-V511 PolarHBondContact O-N 3.3Å; L508-F512 HydrophobicContact CD2-CE2 4.2Å; L508-F512 WeakPolarHBondContact O-CD2 3.38Å; L508-F512 PolarHBondContact O-N 3.21Å; L508-F512 VanDerWaalsContact O-N 3.07Å; L508-F530 HydrophobicContact CD1-CE1 4.39Å; L508-F530 HydrophobicContact CD1-CZ 3.95Å; L508-L557 HydrophobicContact CB-CD1 3.41Å; L508-L557 VanDerWaalsContact CB-CD1 3.41Å; L508-L557 HydrophobicContact CB-CD2 4.09Å; L508-L557 HydrophobicContact CB-CG 4.41Å; L508-L557 HydrophobicContact CD1-CD1 4.38Å; L508-L557 HydrophobicContact CD1-CD2 3.93Å; L508-L557 HydrophobicContact CG-CD1 4.5Å
509	A	97.6	Very high	95	Very high	4 Å²	4	26 Å²	26	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-61.3	-38	176.6	0	0	0	0	0	112.1	A505 L506 S513 A560	A505-A509 WeakPolarHBondContact O-CB 3.46Å; A505-A509 PolarHBondContact O-N 3.49Å; L506-A509 PolarHBondContact O-N 2.94Å; A509-S513 WeakPolarHBondContact O-CB 3.49Å; A509-S513 PolarHBondContact O-N 3.29Å; A509-S513 VanDerWaalsContact O-N 3.1Å; A509-A560 HydrophobicContact CB-CB 4.33Å
510	M	97.4	Very high	94.9	Very high	21 Å²	21	30.9 Å²	30.9	10%	0.103	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-38.8	176	-70.5	163.3	93.3	0	0	113.3	G465 L506 I507 L508 S513 I603 F604	G465-M510 WeakPolarHBondContact O-CE 3.29Å; L506-M510 HydrophobicContact CD1-CG 4.36Å; L506-M510 HydrophobicContact CD1-SD 4.02Å; L506-M510 HydrophobicContact CD2-SD 4.47Å; L506-M510 HydrophobicContact CG-SD 3.79Å; L506-M510 VanDerWaalsContact O-CG 3.28Å; L506-M510 WeakPolarHBondContact O-CG 3.19Å; L506-M510 PolarHBondContact O-N 2.86Å; I507-M510 HydrophobicContact CD1-SD 3.69Å; I507-M510 PolarHBondContact O-N 3.3Å; L508-M510 VanDerWaalsContact C-N 3.29Å; L508-M510 PolarHBondContact O-N 3.37Å; M510-S513 PolarHBondContact O-OG 3.11Å; M510-S513 VanDerWaalsContact O-OG 3.11Å; M510-I603 HydrophobicContact CG-CD1 3.62Å; M510-F604 HydrophobicContact CB-CE2 3.94Å; M510-F604 HydrophobicContact CB-CZ 3.99Å; M510-F604 HydrophobicContact CE-CE1 3.92Å; M510-F604 HydrophobicContact CE-CZ 3.48Å; M510-F604 VanDerWaalsContact CE-CZ 3.48Å; M510-F604 HydrophobicContact CG-CE2 4.17Å; M510-F604 HydrophobicContact CG-CZ 3.9Å
511	V	96.9	Very high	95	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-77.8	-26.6	178.9	-59.6	0	0	0	0	113.1	I475 L478 V479 P484 I507 L508	I475-V511 WeakPolarHBondContact CG2-O 3.19Å; L478-V511 HydrophobicContact CB-CG1 3.9Å; L478-V511 HydrophobicContact CD1-CG1 4.33Å; V479-V511 HydrophobicContact CB-CB 4.36Å; P484-V511 HydrophobicContact CG-CG2 4.37Å; I507-V511 HydrophobicContact CG2-CG1 4.43Å; I507-V511 PolarHBondContact O-N 3.46Å; L508-V511 WeakPolarHBondContact O-CG2 3.37Å; L508-V511 PolarHBondContact O-N 3.3Å
512	F	96.8	Very high	95	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.022	19%	0.194	C	C	.	.	H	α-helix	trans	-87.3	-5.2	174.6	-80.2	-78.5	0	0	0	113.9	V479 P484 L508 M514 G515 V518 L526 A560 L561 H564	V479-F512 HydrophobicContact CG2-CD1 4.07Å; V479-F512 HydrophobicContact CG2-CE1 3.88Å; V479-F512 HydrophobicContact CG2-CE2 4.41Å; V479-F512 HydrophobicContact CG2-CG 4.43Å; V479-F512 HydrophobicContact CG2-CZ 4.03Å; P484-F512 HydrophobicContact CB-CE2 3.92Å; P484-F512 HydrophobicContact CB-CZ 4.25Å; P484-F512 HydrophobicContact CG-CE2 4.5Å; L508-F512 HydrophobicContact CD2-CE2 4.2Å; L508-F512 WeakPolarHBondContact O-CD2 3.38Å; L508-F512 PolarHBondContact O-N 3.21Å; L508-F512 VanDerWaalsContact O-N 3.07Å; F512-M514 PolarHBondContact O-N 3.33Å; F512-M514 VanDerWaalsContact O-N 3.11Å; F512-G515 PolarHBondContact O-N 3.03Å; F512-G515 VanDerWaalsContact O-N 3.1Å; F512-V518 HydrophobicContact CD1-CG2 4.38Å; F512-V518 HydrophobicContact CE1-CG2 3.63Å; F512-V518 HydrophobicContact CZ-CG2 4.35Å; F512-L526 HydrophobicContact CE2-CD1 4.04Å; F512-L526 HydrophobicContact CZ-CD1 3.79Å; F512-A560 HydrophobicContact CB-CB 3.85Å; F512-L561 HydrophobicContact CD1-CD2 3.98Å; F512-L561 HydrophobicContact CD2-CD2 3.58Å; F512-L561 HydrophobicContact CD2-CG 4.39Å; F512-L561 HydrophobicContact CE1-CD2 3.83Å; F512-L561 HydrophobicContact CE2-CD2 3.45Å; F512-L561 VanDerWaalsContact CE2-CD2 3.45Å; F512-L561 HydrophobicContact CG-CD2 3.86Å; F512-L561 HydrophobicContact CZ-CD2 3.61Å; F512-H564 AromaticContact CD1-CE1 3.71Å; F512-H564 AromaticContact CD1-ND1 3.44Å; F512-H564 WeakPolarHBondContact CD1-ND1 3.48Å; F512-H564 AromaticContact CE1-CE1 3.42Å; F512-H564 VanDerWaalsContact CE1-CE1 3.42Å; F512-H564 WeakPolarHBondContact CE1-CE1 3.4Å; F512-H564 AromaticContact CE1-ND1 3.6Å
513	S	96.3	Very high	94.9	Very high	5 Å²	5	37 Å²	37	4%	0.035	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	-172.5	73.9	0	0	0	0	114.3	A509 M510 G515 L563 V601 P610	A509-S513 WeakPolarHBondContact O-CB 3.49Å; A509-S513 PolarHBondContact O-N 3.29Å; A509-S513 VanDerWaalsContact O-N 3.1Å; M510-S513 PolarHBondContact O-OG 3.11Å; M510-S513 VanDerWaalsContact O-OG 3.11Å; S513-G515 VanDerWaalsContact C-N 3.34Å; S513-L563 WeakPolarHBondContact O-CD1 3.46Å; S513-V601 WeakPolarHBondContact CB-O 3.45Å; S513-P610 WeakPolarHBondContact O-CG 3.48Å
514	M	95.1	Very high	94.7	Very high	19 Å²	19	41.2 Å²	41.2	9%	0.094	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.4	-179.5	-61.3	-55.4	-61.3	0	0	113.7	A472 I475 F512 E516 H606 P608	A472-M514 HydrophobicContact CB-CE 4.28Å; I475-M514 HydrophobicContact CB-CG 4.27Å; I475-M514 HydrophobicContact CD1-CG 4Å; I475-M514 HydrophobicContact CD1-SD 4.39Å; I475-M514 HydrophobicContact CG2-CB 4.46Å; I475-M514 HydrophobicContact CG2-CG 3.81Å; F512-M514 PolarHBondContact O-N 3.33Å; F512-M514 VanDerWaalsContact O-N 3.11Å; M514-E516 HydrophobicContact CB-CG 3.99Å; M514-E516 PolarHBondContact O-N 2.93Å; M514-H606 HydrophobicContact CE-CB 3.81Å; M514-H606 HydrophobicContact SD-CB 3.74Å; M514-P608 WeakPolarHBondContact CE-O 3.4Å
515	G	93.6	Very high	94.5	Very high	24 Å²	24	44.6 Å²	44.6	25%	0.247	24%	0.239	C	C	.	.			trans	66.9	19.6	-179.3	0	0	0	0	0	115.2	F512 S513 H564	F512-G515 PolarHBondContact O-N 3.03Å; F512-G515 VanDerWaalsContact O-N 3.1Å; S513-G515 VanDerWaalsContact C-N 3.34Å; G515-H564 WeakPolarHBondContact O-CA 3.41Å; G515-H564 WeakPolarHBondContact O-CB 3.4Å
516	E	92.6	Very high	94.4	Very high	63 Å²	63	45.1 Å²	45.1	29%	0.294	24%	0.242	S	C	.	.			trans	-74	149.1	-179.7	-66.1	179.8	-175.1	0	0	112.5	S476 M514 V518 H564	S476-E516 WeakPolarHBondContact CA-OE2 3.11Å; S476-E516 WeakPolarHBondContact CB-OE2 3.23Å; S476-E516 VanDerWaalsContact OG-CD 3.27Å; S476-E516 PolarHBondContact OG-OE1 3.46Å; S476-E516 VanDerWaalsContact OG-OE1 3.07Å; S476-E516 PolarHBondContact OG-OE2 3.48Å; M514-E516 HydrophobicContact CB-CG 3.99Å; M514-E516 PolarHBondContact O-N 2.93Å; E516-V518 WeakPolarHBondContact O-CG2 3.46Å; E516-H564 WeakPolarHBondContact O-CB 3.29Å
517	A	90.1	Very high	94.2	Very high	89 Å²	89	42.7 Å²	42.7	74%	0.736	23%	0.231	S	C	*	.			trans	-68.5	141.2	179.2	0	0	0	0	0	112.1
518	V	93.1	Very high	94	Very high	13 Å²	13	43.7 Å²	43.7	8%	0.079	24%	0.237	C	C	.	.			trans	-118.3	147.4	-169.4	-179	0	0	0	0	111.2	V479 F512 E516 Y520 H522	V479-V518 HydrophobicContact CG2-CG2 3.63Å; F512-V518 HydrophobicContact CD1-CG2 4.38Å; F512-V518 HydrophobicContact CE1-CG2 3.63Å; F512-V518 HydrophobicContact CZ-CG2 4.35Å; E516-V518 WeakPolarHBondContact O-CG2 3.46Å; V518-Y520 PolarHBondContact O-N 3.08Å; V518-H522 HydrophobicContact CG1-CB 3.73Å; V518-H522 WeakPolarHBondContact CG1-CD2 3.5Å; V518-H522 VanDerWaalsContact CG1-CG 3.45Å
519	P	94	Very high	93.8	Very high	53 Å²	53	48 Å²	48	34%	0.344	27%	0.265	S	S	.	.			trans	-58.4	134.5	-179.2	-24.9	34.3	0	0	0	113.2	A521 H522	P519-A521 PolarHBondContact O-N 3.11Å; P519-H522 WeakPolarHBondContact CB-CE1 3.34Å; P519-H522 VanDerWaalsContact O-CB 3.27Å; P519-H522 WeakPolarHBondContact O-CB 3.35Å; P519-H522 PolarHBondContact O-CE1 2.92Å; P519-H522 PolarHBondContact O-N 3.43Å; P519-H522 PolarHBondContact O-ND1 2.98Å
520	Y	89.4	Confident	93.8	Very high	204 Å²	204	47.9 Å²	47.9	80%	0.8	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-53.2	-30.5	-173.3	-70.9	-75.2	0	0	0	115.6	V518 H522 Y523	V518-Y520 PolarHBondContact O-N 3.08Å; Y520-H522 PolarHBondContact O-N 3.16Å; Y520-H522 VanDerWaalsContact O-N 3.15Å; Y520-Y523 HydrophobicContact CD1-CD2 4.27Å; Y520-Y523 HydrophobicContact CD1-CE2 4.18Å; Y520-Y523 WeakPolarHBondContact O-CD2 3.44Å; Y520-Y523 PolarHBondContact O-N 3.18Å
521	A	93.3	Very high	93.7	Very high	61 Å²	61	47 Å²	47	50%	0.504	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-59.4	-23.1	175.8	0	0	0	0	0	113.4	P519 Y523 E524	P519-A521 PolarHBondContact O-N 3.11Å; A521-Y523 VanDerWaalsContact C-N 3.29Å; A521-Y523 PolarHBondContact O-N 2.95Å; A521-E524 WeakPolarHBondContact O-CB 3.42Å; A521-E524 PolarHBondContact O-N 3.43Å
522	H	93.1	Very high	93.5	Very high	21 Å²	21	49.4 Å²	49.4	10%	0.097	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-64.9	-33.8	178.2	-72.1	48.1	0	0	0	112	S480 S481 V485 V518 P519 Y520 E524 H525 L526	S480-H522 PolarHBondContact O-NE2 3.11Å; S481-H522 PolarHBondContact O-NE2 2.97Å; V485-H522 HydrophobicContact CG2-CB 4.11Å; V518-H522 HydrophobicContact CG1-CB 3.73Å; V518-H522 WeakPolarHBondContact CG1-CD2 3.5Å; V518-H522 VanDerWaalsContact CG1-CG 3.45Å; P519-H522 WeakPolarHBondContact CB-CE1 3.34Å; P519-H522 VanDerWaalsContact O-CB 3.27Å; P519-H522 WeakPolarHBondContact O-CB 3.35Å; P519-H522 PolarHBondContact O-CE1 2.92Å; P519-H522 PolarHBondContact O-N 3.43Å; P519-H522 PolarHBondContact O-ND1 2.98Å; Y520-H522 PolarHBondContact O-N 3.16Å; Y520-H522 VanDerWaalsContact O-N 3.15Å; H522-E524 PolarHBondContact O-N 3.24Å; H522-E524 VanDerWaalsContact O-N 3.16Å; H522-H525 PolarHBondContact O-N 2.85Å; H522-L526 HydrophobicContact CB-CD1 4.27Å; H522-L526 WeakPolarHBondContact O-CB 3.35Å; H522-L526 PolarHBondContact O-N 2.86Å
523	Y	91.3	Very high	93.4	Very high	62 Å²	62	51 Å²	51	24%	0.243	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-68.2	-11.1	-179.8	-60.6	-64.3	0	0	0	114.1	Y520 A521 H525 G527 H564 L565	Y520-Y523 HydrophobicContact CD1-CD2 4.27Å; Y520-Y523 HydrophobicContact CD1-CE2 4.18Å; Y520-Y523 WeakPolarHBondContact O-CD2 3.44Å; Y520-Y523 PolarHBondContact O-N 3.18Å; A521-Y523 VanDerWaalsContact C-N 3.29Å; A521-Y523 PolarHBondContact O-N 2.95Å; Y523-H525 PolarHBondContact O-N 3.24Å; Y523-G527 VanDerWaalsContact O-CA 3.25Å; Y523-G527 WeakPolarHBondContact O-CA 3.46Å; Y523-G527 PolarHBondContact O-N 3.2Å; Y523-G527 VanDerWaalsContact O-N 3.1Å; Y523-H564 AromaticContact CE1-NE2 3.67Å; Y523-H564 AromaticContact CZ-NE2 3.81Å; Y523-H564 PolarHBondContact OH-CD2 3.38Å; Y523-H564 VanDerWaalsContact OH-CD2 3.27Å; Y523-H564 PolarHBondContact OH-NE2 2.82Å; Y523-H564 VanDerWaalsContact OH-NE2 3.15Å; Y523-L565 HydrophobicContact CE1-CD2 3.95Å
524	E	91.6	Very high	93.4	Very high	161 Å²	161	50.7 Å²	50.7	75%	0.752	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-63.1	-32.5	168.7	-63.9	-173.8	169.1	0	0	111.7	A521 H522	A521-E524 WeakPolarHBondContact O-CB 3.42Å; A521-E524 PolarHBondContact O-N 3.43Å; H522-E524 PolarHBondContact O-N 3.24Å; H522-E524 VanDerWaalsContact O-N 3.16Å
525	H	93.5	Very high	93.4	Very high	70 Å²	70	49.9 Å²	49.9	32%	0.324	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-32.3	-177.2	-62.6	78.1	0	0	0	112.5	V485 H522 Y523 F530	V485-H525 HydrophobicContact CG1-CB 3.98Å; H522-H525 PolarHBondContact O-N 2.85Å; Y523-H525 PolarHBondContact O-N 3.24Å; H525-F530 VanDerWaalsContact O-CB 3.3Å; H525-F530 WeakPolarHBondContact O-CB 3.42Å
526	L	93.9	Very high	93.3	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.058	27%	0.274	C	S	.	.	S	Bend	trans	-98	18.4	177.9	-71.1	165.2	0	0	0	113.1	P484 A488 F512 H522 F530 L561	P484-L526 HydrophobicContact CB-CD1 3.74Å; A488-L526 HydrophobicContact CB-CD2 3.61Å; A488-L526 HydrophobicContact CB-CG 4.06Å; F512-L526 HydrophobicContact CE2-CD1 4.04Å; F512-L526 HydrophobicContact CZ-CD1 3.79Å; H522-L526 HydrophobicContact CB-CD1 4.27Å; H522-L526 WeakPolarHBondContact O-CB 3.35Å; H522-L526 PolarHBondContact O-N 2.86Å; L526-F530 HydrophobicContact CD2-CD1 3.6Å; L526-F530 HydrophobicContact CD2-CE1 3.51Å; L526-F530 HydrophobicContact CD2-CG 4.35Å; L526-F530 HydrophobicContact CD2-CZ 4.24Å; L526-L561 HydrophobicContact CD2-CD2 4.23Å
527	G	92.6	Very high	93.3	Very high	6 Å²	6	47.8 Å²	47.8	6%	0.062	26%	0.261	C	S	.	.	S	Bend	trans	-77.8	-169	178.8	0	0	0	0	0	114.4	Y523 P529 F530 A531	Y523-G527 VanDerWaalsContact O-CA 3.25Å; Y523-G527 WeakPolarHBondContact O-CA 3.46Å; Y523-G527 PolarHBondContact O-N 3.2Å; Y523-G527 VanDerWaalsContact O-N 3.1Å; G527-P529 VanDerWaalsContact C-N 3.32Å; G527-P529 VanDerWaalsContact O-N 3.15Å; G527-F530 WeakPolarHBondContact O-CB 3.32Å; G527-F530 PolarHBondContact O-N 3.08Å; G527-A531 PolarHBondContact O-N 3.4Å
528	T	94	Very high	93.5	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-46.9	-42.2	178.5	-59.5	0	0	0	0	114.6	F530 A531 Q532 V572 A576	T528-F530 VanDerWaalsContact C-N 3.27Å; T528-F530 PolarHBondContact O-N 3.39Å; T528-A531 PolarHBondContact O-N 3.19Å; T528-Q532 HydrophobicContact CG2-CG 4.19Å; T528-Q532 VanDerWaalsContact O-CG 3.29Å; T528-Q532 WeakPolarHBondContact O-CG 3.37Å; T528-Q532 PolarHBondContact O-N 3.45Å; T528-V572 PolarHBondContact OG1-O 2.99Å; T528-A576 HydrophobicContact CG2-CB 3.94Å
529	P	94.6	Very high	93.5	Very high	91 Å²	91	44.5 Å²	44.5	59%	0.591	23%	0.229	S	C	*	.	H	α-helix	trans	-60.2	-33.2	177.7	-24	35.1	0	0	0	113.9	G527 F533	G527-P529 VanDerWaalsContact C-N 3.32Å; G527-P529 VanDerWaalsContact O-N 3.15Å; P529-F533 PolarHBondContact O-N 3.35Å
530	F	96.1	Very high	93.3	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-73.8	-42	176	-175.9	-108.6	0	0	0	111.6	A488 M491 Q492 L508 H525 L526 G527 T528 Q532 F533 L534 L557 L561	A488-F530 HydrophobicContact CB-CD2 3.94Å; A488-F530 HydrophobicContact CB-CE1 4.36Å; A488-F530 HydrophobicContact CB-CE2 3.68Å; A488-F530 HydrophobicContact CB-CG 4.41Å; A488-F530 HydrophobicContact CB-CZ 3.9Å; M491-F530 HydrophobicContact SD-CZ 4.18Å; Q492-F530 HydrophobicContact CG-CD2 4.03Å; Q492-F530 HydrophobicContact CG-CE2 4.34Å; L508-F530 HydrophobicContact CD1-CE1 4.39Å; L508-F530 HydrophobicContact CD1-CZ 3.95Å; H525-F530 VanDerWaalsContact O-CB 3.3Å; H525-F530 WeakPolarHBondContact O-CB 3.42Å; L526-F530 HydrophobicContact CD2-CD1 3.6Å; L526-F530 HydrophobicContact CD2-CE1 3.51Å; L526-F530 HydrophobicContact CD2-CG 4.35Å; L526-F530 HydrophobicContact CD2-CZ 4.24Å; G527-F530 WeakPolarHBondContact O-CB 3.32Å; G527-F530 PolarHBondContact O-N 3.08Å; T528-F530 VanDerWaalsContact C-N 3.27Å; T528-F530 PolarHBondContact O-N 3.39Å; F530-Q532 VanDerWaalsContact C-N 3.29Å; F530-Q532 PolarHBondContact O-N 2.93Å; F530-F533 HydrophobicContact CD2-CD1 4.03Å; F530-F533 AromaticContact CE2-CD1 3.99Å; F530-F533 HydrophobicContact CE2-CD1 3.99Å; F530-F533 HydrophobicContact CE2-CE1 4.21Å; F530-F533 WeakPolarHBondContact O-CB 3.03Å; F530-F533 PolarHBondContact O-N 3.05Å; F530-F533 VanDerWaalsContact O-N 3.13Å; F530-L534 HydrophobicContact CD1-CD1 4.03Å; F530-L534 HydrophobicContact CD1-CG 4.37Å; F530-L534 HydrophobicContact CE1-CD1 3.65Å; F530-L534 HydrophobicContact CE1-CD2 4.35Å; F530-L534 HydrophobicContact CE1-CG 4.08Å; F530-L534 HydrophobicContact CE2-CD2 4.49Å; F530-L534 HydrophobicContact CZ-CD1 4.2Å; F530-L534 HydrophobicContact CZ-CD2 4.05Å; F530-L534 HydrophobicContact CZ-CG 4.23Å; F530-L534 WeakPolarHBondContact O-CG 3.46Å; F530-L534 PolarHBondContact O-N 3.06Å; F530-L557 HydrophobicContact CE1-CD2 4.23Å; F530-L557 HydrophobicContact CZ-CD2 4.22Å; F530-L561 HydrophobicContact CD1-CD1 4.25Å; F530-L561 HydrophobicContact CE1-CD1 3.99Å
531	A	95.1	Very high	93.1	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-39.5	172.2	0	0	0	0	0	112.1	G527 T528 L534 L535 L558 I573 A576	G527-A531 PolarHBondContact O-N 3.4Å; T528-A531 PolarHBondContact O-N 3.19Å; A531-L534 PolarHBondContact O-N 3.49Å; A531-L535 VanDerWaalsContact O-CG 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.23Å; A531-L535 PolarHBondContact O-N 3.1Å; A531-L558 HydrophobicContact CB-CD2 4.25Å; A531-I573 HydrophobicContact CB-CG1 4.25Å; A531-A576 HydrophobicContact CB-CB 3.79Å
532	Q	94.3	Very high	92.7	Very high	52 Å²	52	39.3 Å²	39.3	24%	0.243	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-38.7	173.9	-68	-177.7	-61.4	0	0	112.6	T528 F530 L535 S536 A576 H580	T528-Q532 HydrophobicContact CG2-CG 4.19Å; T528-Q532 VanDerWaalsContact O-CG 3.29Å; T528-Q532 WeakPolarHBondContact O-CG 3.37Å; T528-Q532 PolarHBondContact O-N 3.45Å; F530-Q532 VanDerWaalsContact C-N 3.29Å; F530-Q532 PolarHBondContact O-N 2.93Å; Q532-L535 PolarHBondContact O-N 3.06Å; Q532-S536 PolarHBondContact O-N 3.24Å; Q532-A576 HydrophobicContact CG-CB 3.81Å; Q532-H580 WeakPolarHBondContact CB-NE2 3.44Å; Q532-H580 WeakPolarHBondContact CG-NE2 3.3Å; Q532-H580 PolarHBondContact NE2-NE2 3.33Å
533	F	94.5	Very high	92.1	Very high	37 Å²	37	44.8 Å²	44.8	16%	0.162	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-47	173.2	164.3	-103.2	0	0	0	111.8	M491 Q492 T495 P529 F530 L535 S536 I537	M491-F533 HydrophobicContact CB-CE1 4.16Å; M491-F533 WeakPolarHBondContact O-CZ 3.43Å; Q492-F533 HydrophobicContact CG-CD1 3.84Å; Q492-F533 HydrophobicContact CG-CD2 4.38Å; Q492-F533 HydrophobicContact CG-CE1 3.91Å; Q492-F533 HydrophobicContact CG-CE2 4.44Å; Q492-F533 HydrophobicContact CG-CG 4.07Å; Q492-F533 HydrophobicContact CG-CZ 4.21Å; T495-F533 HydrophobicContact CG2-CE2 4.16Å; T495-F533 HydrophobicContact CG2-CZ 4.19Å; P529-F533 PolarHBondContact O-N 3.35Å; F530-F533 HydrophobicContact CD2-CD1 4.03Å; F530-F533 AromaticContact CE2-CD1 3.99Å; F530-F533 HydrophobicContact CE2-CD1 3.99Å; F530-F533 HydrophobicContact CE2-CE1 4.21Å; F530-F533 WeakPolarHBondContact O-CB 3.03Å; F530-F533 PolarHBondContact O-N 3.05Å; F530-F533 VanDerWaalsContact O-N 3.13Å; F533-L535 PolarHBondContact O-N 3.26Å; F533-S536 PolarHBondContact O-N 3.48Å; F533-S536 PolarHBondContact O-OG 3.05Å; F533-I537 HydrophobicContact CD1-CD1 4.32Å; F533-I537 HydrophobicContact CD2-CD1 4.38Å; F533-I537 HydrophobicContact CE1-CD1 3.76Å; F533-I537 HydrophobicContact CE2-CD1 3.83Å; F533-I537 HydrophobicContact CZ-CD1 3.49Å; F533-I537 VanDerWaalsContact CZ-CD1 3.49Å; F533-I537 PolarHBondContact O-N 2.84Å; F533-I537 VanDerWaalsContact O-N 3.12Å
534	L	95.6	Very high	91.3	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-44.2	175.5	-64.5	179.1	0	0	0	111.9	M491 F530 A531 S536 I537 V538 C554 L557 L558 L561	M491-L534 HydrophobicContact CE-CD2 4.1Å; F530-L534 HydrophobicContact CD1-CD1 4.03Å; F530-L534 HydrophobicContact CD1-CG 4.37Å; F530-L534 HydrophobicContact CE1-CD1 3.65Å; F530-L534 HydrophobicContact CE1-CD2 4.35Å; F530-L534 HydrophobicContact CE1-CG 4.08Å; F530-L534 HydrophobicContact CE2-CD2 4.49Å; F530-L534 HydrophobicContact CZ-CD1 4.2Å; F530-L534 HydrophobicContact CZ-CD2 4.05Å; F530-L534 HydrophobicContact CZ-CG 4.23Å; F530-L534 WeakPolarHBondContact O-CG 3.46Å; F530-L534 PolarHBondContact O-N 3.06Å; A531-L534 PolarHBondContact O-N 3.49Å; L534-S536 VanDerWaalsContact C-N 3.34Å; L534-S536 PolarHBondContact O-N 3Å; L534-I537 PolarHBondContact O-N 3.36Å; L534-V538 WeakPolarHBondContact O-CG2 3.4Å; L534-V538 PolarHBondContact O-N 3.47Å; L534-V538 VanDerWaalsContact O-N 3.1Å; L534-C554 HydrophobicContact CD2-CB 4.42Å; L534-L557 HydrophobicContact CD1-CB 4.46Å; L534-L557 HydrophobicContact CD1-CD2 3.68Å; L534-L557 HydrophobicContact CD1-CG 3.75Å; L534-L557 HydrophobicContact CD2-CD2 3.79Å; L534-L557 HydrophobicContact CG-CD2 4.4Å; L534-L558 HydrophobicContact CB-CD1 4.14Å; L534-L558 HydrophobicContact CB-CD2 4.06Å; L534-L558 HydrophobicContact CB-CG 4.02Å; L534-L558 HydrophobicContact CD1-CD2 3.91Å; L534-L558 HydrophobicContact CD1-CG 4Å; L534-L561 HydrophobicContact CD1-CD1 3.98Å
535	L	94.5	Very high	90.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-40.5	175.5	-72.3	167.4	0	0	0	112.1	A531 Q532 F533 I537 V538 E539 L558 A576 L577 V583 F586	A531-L535 VanDerWaalsContact O-CG 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.23Å; A531-L535 PolarHBondContact O-N 3.1Å; Q532-L535 PolarHBondContact O-N 3.06Å; F533-L535 PolarHBondContact O-N 3.26Å; L535-I537 VanDerWaalsContact C-N 3.3Å; L535-I537 PolarHBondContact O-N 3.43Å; L535-V538 PolarHBondContact O-N 3.07Å; L535-V538 VanDerWaalsContact O-N 3.11Å; L535-E539 PolarHBondContact O-N 3.01Å; L535-L558 HydrophobicContact CD2-CD1 3.74Å; L535-L558 HydrophobicContact CG-CD1 4.04Å; L535-A576 HydrophobicContact CD1-CB 4.16Å; L535-L577 HydrophobicContact CD1-CD2 3.88Å; L535-L577 HydrophobicContact CD1-CG 4.46Å; L535-L577 HydrophobicContact CD2-CD2 4.01Å; L535-V583 HydrophobicContact CD2-CG1 4.2Å; L535-F586 HydrophobicContact CD2-CB 4.34Å; L535-F586 HydrophobicContact CD2-CD1 3.98Å; L535-F586 HydrophobicContact CD2-CD2 3.95Å; L535-F586 HydrophobicContact CD2-CE1 4.29Å; L535-F586 HydrophobicContact CD2-CE2 4.3Å; L535-F586 HydrophobicContact CD2-CG 3.81Å; L535-F586 HydrophobicContact CD2-CZ 4.46Å
536	S	92.9	Very high	89.6	Confident	39 Å²	39	42.1 Å²	42.1	27%	0.273	25%	0.25	S	C	.	.	H	α-helix	trans	-63.4	-34.2	175.5	65.3	0	0	0	0	113	Q532 F533 L534 V538 D540	Q532-S536 PolarHBondContact O-N 3.24Å; F533-S536 PolarHBondContact O-N 3.48Å; F533-S536 PolarHBondContact O-OG 3.05Å; L534-S536 VanDerWaalsContact C-N 3.34Å; L534-S536 PolarHBondContact O-N 3Å; S536-V538 VanDerWaalsContact C-N 3.34Å; S536-D540 WeakPolarHBondContact O-CB 3.43Å; S536-D540 PolarHBondContact O-N 2.6Å
537	I	92.8	Very high	88.9	Confident	3 Å²	3	45.1 Å²	45.1	2%	0.015	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-34.4	173.6	-67.1	170.5	0	0	0	111.4	F533 L534 L535 G541 L550	F533-I537 HydrophobicContact CD1-CD1 4.32Å; F533-I537 HydrophobicContact CD2-CD1 4.38Å; F533-I537 HydrophobicContact CE1-CD1 3.76Å; F533-I537 HydrophobicContact CE2-CD1 3.83Å; F533-I537 HydrophobicContact CZ-CD1 3.49Å; F533-I537 VanDerWaalsContact CZ-CD1 3.49Å; F533-I537 PolarHBondContact O-N 2.84Å; F533-I537 VanDerWaalsContact O-N 3.12Å; L534-I537 PolarHBondContact O-N 3.36Å; L535-I537 VanDerWaalsContact C-N 3.3Å; L535-I537 PolarHBondContact O-N 3.43Å; I537-G541 VanDerWaalsContact O-CA 3.25Å; I537-G541 WeakPolarHBondContact O-CA 3.08Å; I537-G541 PolarHBondContact O-N 2.69Å; I537-G541 VanDerWaalsContact O-N 3.16Å; I537-L550 HydrophobicContact CD1-CD2 4.49Å; I537-L550 HydrophobicContact CG2-CD2 3.66Å; I537-L550 HydrophobicContact CG2-CG 3.76Å
538	V	94.4	Very high	88.4	Confident	3 Å²	3	52 Å²	52	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-71	-38.6	177.4	177.9	0	0	0	0	112.2	L534 L535 S536 C554 V555 I585 F586 K589	L534-V538 WeakPolarHBondContact O-CG2 3.4Å; L534-V538 PolarHBondContact O-N 3.47Å; L534-V538 VanDerWaalsContact O-N 3.1Å; L535-V538 PolarHBondContact O-N 3.07Å; L535-V538 VanDerWaalsContact O-N 3.11Å; S536-V538 VanDerWaalsContact C-N 3.34Å; V538-C554 HydrophobicContact CG2-CB 3.69Å; V538-V555 HydrophobicContact CG1-CG2 4.03Å; V538-V555 HydrophobicContact CG2-CG2 3.95Å; V538-I585 HydrophobicContact CG1-CG2 4.24Å; V538-I585 WeakPolarHBondContact O-CG2 3.26Å; V538-F586 HydrophobicContact CG1-CB 3.94Å; V538-F586 HydrophobicContact CG1-CD2 4.23Å; V538-K589 HydrophobicContact CG1-CD 4.29Å
539	E	92.4	Very high	88.2	Confident	30 Å²	30	56.3 Å²	56.3	14%	0.14	32%	0.318	C	S	.	.	H	α-helix	trans	-86.9	-45.2	-177	-61.8	-61.1	139.3	0	0	113.8	L535 V583 K584 I585 F586	L535-E539 PolarHBondContact O-N 3.01Å; E539-V583 VanDerWaalsContact CD-C 3.49Å; E539-V583 VanDerWaalsContact CD-CA 3.43Å; E539-V583 HydrophobicContact CG-CG1 4.49Å; E539-V583 VanDerWaalsContact OE1-CA 3.23Å; E539-V583 WeakPolarHBondContact OE1-CA 3.5Å; E539-K584 VanDerWaalsContact CD-N 3.34Å; E539-K584 PolarHBondContact OE1-N 3.41Å; E539-K584 PolarHBondContact OE2-N 3.04Å; E539-I585 WeakPolarHBondContact O-CD1 3.38Å; E539-I585 PolarHBondContact OE1-N 3.15Å; E539-I585 PolarHBondContact OE2-N 3.05Å; E539-F586 VanDerWaalsContact OE1-CB 3.27Å; E539-F586 WeakPolarHBondContact OE1-CB 3.38Å; E539-F586 PolarHBondContact OE1-N 2.99Å
540	D	89.5	Confident	88.1	Confident	140 Å²	140	52 Å²	52	75%	0.749	29%	0.289	S	S	*	.	H	α-helix	trans	-97	-19.2	-174.2	-60.7	-52.4	0	0	0	112.9	S536	S536-D540 WeakPolarHBondContact O-CB 3.43Å; S536-D540 PolarHBondContact O-N 2.6Å
541	G	86.2	Confident	88	Confident	27 Å²	27	52.5 Å²	52.5	28%	0.278	29%	0.293	S	S	.	.			trans	67.9	-171.1	-173.4	0	0	0	0	0	113.7	I537	I537-G541 VanDerWaalsContact O-CA 3.25Å; I537-G541 WeakPolarHBondContact O-CA 3.08Å; I537-G541 PolarHBondContact O-N 2.69Å; I537-G541 VanDerWaalsContact O-N 3.16Å
542	L	84.8	Confident	88	Confident	43 Å²	43	56 Å²	56	23%	0.225	31%	0.311	C	S	.	.			trans	-124.4	137.2	167.4	-70.3	-179.2	0	0	0	109.8	L501 L544 D545 L550	L501-L542 HydrophobicContact CD2-CD1 3.5Å; L501-L542 VanDerWaalsContact CD2-CD1 3.5Å; L542-L544 PolarHBondContact O-N 2.93Å; L542-D545 HydrophobicContact CB-CB 4.45Å; L542-D545 PolarHBondContact O-N 3.39Å; L542-L550 HydrophobicContact CD1-CD2 3.61Å; L542-L550 HydrophobicContact CG-CD2 4.33Å
543	P	78.6	Confident	88.1	Confident	136 Å²	136	55 Å²	55	88%	0.883	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.6	179.2	-25.3	34.5	0	0	0	115.5
544	L	75.6	Confident	88.1	Confident	86 Å²	86	53.3 Å²	53.3	45%	0.45	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-13.8	177.8	-67.3	165.6	0	0	0	112.8	L542 T546	L542-L544 PolarHBondContact O-N 2.93Å; L544-T546 PolarHBondContact O-N 3.29Å
545	D	77.3	Confident	88.2	Confident	19 Å²	19	53.4 Å²	53.4	10%	0.102	30%	0.301	C	S	.	.			trans	-85.3	90.7	177.2	-173.5	0.5	0	0	0	110.2	H498 L542 T547 E548 Q549 L550 P551	H498-D545 VanDerWaalsContact CE1-CG 3.41Å; H498-D545 IonicContact CE1-OD1 2.72Å; H498-D545 PolarHBondContact CE1-OD1 2.86Å; H498-D545 VanDerWaalsContact CE1-OD1 3.26Å; H498-D545 IonicContact CE1-OD2 3.18Å; L542-D545 HydrophobicContact CB-CB 4.45Å; L542-D545 PolarHBondContact O-N 3.39Å; D545-T547 VanDerWaalsContact C-N 3.32Å; D545-T547 PolarHBondContact OD1-N 3.26Å; D545-T547 PolarHBondContact OD1-OG1 3.47Å; D545-T547 VanDerWaalsContact OD1-OG1 3.12Å; D545-E548 PolarHBondContact OD1-N 2.89Å; D545-Q549 PolarHBondContact OD2-N 2.86Å; D545-L550 VanDerWaalsContact OD2-CB 3.23Å; D545-L550 WeakPolarHBondContact OD2-CB 3.37Å; D545-L550 PolarHBondContact OD2-N 3.48Å; D545-P551 VanDerWaalsContact OD2-CD 3.26Å; D545-P551 WeakPolarHBondContact OD2-CD 3.26Å
546	T	72.6	Confident	88.4	Confident	132 Å²	132	55 Å²	55	81%	0.81	31%	0.309	S	S	*	.	S	Bend	trans	-84.7	-4.4	174.6	54.1	0	0	0	0	113.6	L544	L544-T546 PolarHBondContact O-N 3.29Å
547	T	78.1	Confident	88.6	Confident	73 Å²	73	53.1 Å²	53.1	45%	0.448	30%	0.296	S	S	.	.	S	Bend	trans	-106.5	-9.4	-177.8	57.7	0	0	0	0	113.1	D545 Q549	D545-T547 VanDerWaalsContact C-N 3.32Å; D545-T547 PolarHBondContact OD1-N 3.26Å; D545-T547 PolarHBondContact OD1-OG1 3.47Å; D545-T547 VanDerWaalsContact OD1-OG1 3.12Å; T547-Q549 PolarHBondContact O-N 2.74Å; T547-Q549 VanDerWaalsContact O-N 3.17Å
548	E	82.6	Confident	88.8	Confident	150 Å²	150	53 Å²	53	70%	0.701	30%	0.295	S	S	*	.			trans	55.9	22.4	-175.5	-60.4	-176.6	-179.1	0	0	113.5	D545	D545-E548 PolarHBondContact OD1-N 2.89Å
549	Q	89.7	Confident	89	Confident	114 Å²	114	52.9 Å²	52.9	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-81.4	-28.7	-176.5	-72.5	177.1	-8	0	0	112.9	D545 T547 D552 L553	D545-Q549 PolarHBondContact OD2-N 2.86Å; T547-Q549 PolarHBondContact O-N 2.74Å; T547-Q549 VanDerWaalsContact O-N 3.17Å; Q549-D552 PolarHBondContact O-N 2.99Å; Q549-L553 WeakPolarHBondContact O-CG 3.21Å; Q549-L553 PolarHBondContact O-N 2.75Å
550	L	92.6	Very high	89.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.6	-41.4	-176	-176.4	67.3	0	0	0	112.8	L501 A505 I537 L542 D545 D552 L553 C554	L501-L550 HydrophobicContact CD2-CD2 3.48Å; L501-L550 VanDerWaalsContact CD2-CD2 3.48Å; L501-L550 HydrophobicContact CG-CD1 3.99Å; L501-L550 HydrophobicContact CG-CD2 3.9Å; A505-L550 HydrophobicContact CB-CD1 4.37Å; I537-L550 HydrophobicContact CD1-CD2 4.49Å; I537-L550 HydrophobicContact CG2-CD2 3.66Å; I537-L550 HydrophobicContact CG2-CG 3.76Å; L542-L550 HydrophobicContact CD1-CD2 3.61Å; L542-L550 HydrophobicContact CG-CD2 4.33Å; D545-L550 VanDerWaalsContact OD2-CB 3.23Å; D545-L550 WeakPolarHBondContact OD2-CB 3.37Å; D545-L550 PolarHBondContact OD2-N 3.48Å; L550-D552 VanDerWaalsContact C-N 3.3Å; L550-D552 PolarHBondContact O-N 3.28Å; L550-L553 PolarHBondContact O-N 2.96Å; L550-C554 WeakPolarHBondContact O-CB 3.1Å; L550-C554 PolarHBondContact O-N 3.43Å; L550-C554 PolarHBondContact O-SG 2.79Å; L550-C554 VanDerWaalsContact O-SG 3.4Å
551	P	93.9	Very high	89.5	Confident	13 Å²	13	45.1 Å²	45.1	8%	0.084	25%	0.254	C	S	.	.	H	α-helix	trans	-51.9	-44.3	172.5	-31.1	37	0	0	0	113.7	D545 C554 V555	D545-P551 VanDerWaalsContact OD2-CD 3.26Å; D545-P551 WeakPolarHBondContact OD2-CD 3.26Å; P551-C554 PolarHBondContact O-N 3.32Å; P551-V555 WeakPolarHBondContact O-CG2 3.47Å; P551-V555 PolarHBondContact O-N 2.99Å
552	D	94.4	Very high	90	Very high	76 Å²	76	43.9 Å²	43.9	41%	0.406	24%	0.241	S	C	.	.	H	α-helix	trans	-68.2	-39.1	179.3	-73.1	-16.9	0	0	0	111.9	Q549 L550 C554 V555 N556 K589	Q549-D552 PolarHBondContact O-N 2.99Å; L550-D552 VanDerWaalsContact C-N 3.3Å; L550-D552 PolarHBondContact O-N 3.28Å; D552-C554 VanDerWaalsContact C-N 3.33Å; D552-C554 PolarHBondContact O-N 3.15Å; D552-V555 PolarHBondContact O-N 3.43Å; D552-N556 PolarHBondContact O-N 2.92Å; D552-N556 PolarHBondContact O-ND2 3.5Å; D552-N556 PolarHBondContact O-OD1 2.84Å; D552-K589 IonicContact OD1-NZ 2.77Å; D552-K589 PolarHBondContact OD1-NZ 3.28Å
553	L	96.3	Very high	90.5	Very high	33 Å²	33	42.5 Å²	42.5	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-36.5	172.5	-68.1	171.5	0	0	0	112.3	C502 A505 L506 Q549 L550 N556 L557	C502-L553 HydrophobicContact CB-CD1 3.73Å; A505-L553 HydrophobicContact CB-CB 4.04Å; L506-L553 HydrophobicContact CB-CD2 4.31Å; L506-L553 HydrophobicContact CD1-CD2 4.33Å; Q549-L553 WeakPolarHBondContact O-CG 3.21Å; Q549-L553 PolarHBondContact O-N 2.75Å; L550-L553 PolarHBondContact O-N 2.96Å; L553-N556 PolarHBondContact O-N 3.45Å; L553-L557 WeakPolarHBondContact O-CB 3.28Å; L553-L557 PolarHBondContact O-N 3.17Å
554	C	96.5	Very high	91.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.8	-36.5	174.7	-72.4	0	0	0	0	112.6	L534 V538 L550 P551 D552 L557 L558	L534-C554 HydrophobicContact CD2-CB 4.42Å; V538-C554 HydrophobicContact CG2-CB 3.69Å; L550-C554 WeakPolarHBondContact O-CB 3.1Å; L550-C554 PolarHBondContact O-N 3.43Å; L550-C554 PolarHBondContact O-SG 2.79Å; L550-C554 VanDerWaalsContact O-SG 3.4Å; P551-C554 PolarHBondContact O-N 3.32Å; D552-C554 VanDerWaalsContact C-N 3.33Å; D552-C554 PolarHBondContact O-N 3.15Å; C554-L557 PolarHBondContact O-N 3.27Å; C554-L558 WeakPolarHBondContact O-CG 3.46Å; C554-L558 PolarHBondContact O-N 2.76Å
555	V	96.9	Very high	91.8	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-49.7	169.9	172.3	0	0	0	0	110.3	V538 P551 D552 L557 L558 L559 F586 K589 L593	V538-V555 HydrophobicContact CG1-CG2 4.03Å; V538-V555 HydrophobicContact CG2-CG2 3.95Å; P551-V555 WeakPolarHBondContact O-CG2 3.47Å; P551-V555 PolarHBondContact O-N 2.99Å; D552-V555 PolarHBondContact O-N 3.43Å; V555-L557 VanDerWaalsContact C-N 3.28Å; V555-L557 PolarHBondContact O-N 3.09Å; V555-L558 PolarHBondContact O-N 2.76Å; V555-L558 VanDerWaalsContact O-N 3.16Å; V555-L559 HydrophobicContact CG1-CD1 4.12Å; V555-L559 HydrophobicContact CG1-CG 4.48Å; V555-L559 WeakPolarHBondContact O-CG 3.44Å; V555-L559 PolarHBondContact O-N 2.91Å; V555-F586 HydrophobicContact CG1-CE2 4.41Å; V555-F586 HydrophobicContact CG2-CD2 3.95Å; V555-F586 HydrophobicContact CG2-CE2 4.21Å; V555-K589 HydrophobicContact CG2-CB 4.3Å; V555-K589 HydrophobicContact CG2-CD 3.89Å; V555-L593 HydrophobicContact CG1-CD1 3.81Å
556	N	97.4	Very high	92.2	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	21%	0.211	C	C	.	.	H	α-helix	trans	-61.1	-38	179.5	-63.7	-11.5	0	0	0	111.9	D552 L553 L559 A560 P600 V601	D552-N556 PolarHBondContact O-N 2.92Å; D552-N556 PolarHBondContact O-ND2 3.5Å; D552-N556 PolarHBondContact O-OD1 2.84Å; L553-N556 PolarHBondContact O-N 3.45Å; N556-L559 PolarHBondContact O-N 2.7Å; N556-A560 WeakPolarHBondContact O-CB 3.47Å; N556-A560 PolarHBondContact O-N 3.15Å; N556-P600 VanDerWaalsContact OD1-CB 3.32Å; N556-P600 WeakPolarHBondContact OD1-CB 3.37Å; N556-P600 WeakPolarHBondContact OD1-CG 3.44Å; N556-V601 WeakPolarHBondContact O-CG2 3.48Å
557	L	97.8	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-42.8	174.5	176.7	54.8	0	0	0	112.5	M491 A505 L508 F530 L534 L553 C554 V555 L559 A560 L561	M491-L557 HydrophobicContact CE-CD2 4.3Å; A505-L557 HydrophobicContact CB-CD2 4.45Å; L508-L557 HydrophobicContact CB-CD1 3.41Å; L508-L557 VanDerWaalsContact CB-CD1 3.41Å; L508-L557 HydrophobicContact CB-CD2 4.09Å; L508-L557 HydrophobicContact CB-CG 4.41Å; L508-L557 HydrophobicContact CD1-CD1 4.38Å; L508-L557 HydrophobicContact CD1-CD2 3.93Å; L508-L557 HydrophobicContact CG-CD1 4.5Å; F530-L557 HydrophobicContact CE1-CD2 4.23Å; F530-L557 HydrophobicContact CZ-CD2 4.22Å; L534-L557 HydrophobicContact CD1-CB 4.46Å; L534-L557 HydrophobicContact CD1-CD2 3.68Å; L534-L557 HydrophobicContact CD1-CG 3.75Å; L534-L557 HydrophobicContact CD2-CD2 3.79Å; L534-L557 HydrophobicContact CG-CD2 4.4Å; L553-L557 WeakPolarHBondContact O-CB 3.28Å; L553-L557 PolarHBondContact O-N 3.17Å; C554-L557 PolarHBondContact O-N 3.27Å; V555-L557 VanDerWaalsContact C-N 3.28Å; V555-L557 PolarHBondContact O-N 3.09Å; L557-L559 VanDerWaalsContact C-N 3.31Å; L557-L559 PolarHBondContact O-N 3.15Å; L557-A560 PolarHBondContact O-N 3.31Å; L557-L561 HydrophobicContact CD1-CD1 3.78Å; L557-L561 HydrophobicContact CD1-CG 3.81Å; L557-L561 HydrophobicContact CG-CD1 3.86Å; L557-L561 HydrophobicContact CG-CG 4.37Å; L557-L561 WeakPolarHBondContact O-CB 3.42Å; L557-L561 VanDerWaalsContact O-CG 3.3Å; L557-L561 WeakPolarHBondContact O-CG 3.39Å; L557-L561 PolarHBondContact O-N 3.07Å
558	L	97.3	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-40.6	174.4	-76.2	166.6	0	0	0	111.5	A531 L534 L535 C554 V555 N562 I573 F586	A531-L558 HydrophobicContact CB-CD2 4.25Å; L534-L558 HydrophobicContact CB-CD1 4.14Å; L534-L558 HydrophobicContact CB-CD2 4.06Å; L534-L558 HydrophobicContact CB-CG 4.02Å; L534-L558 HydrophobicContact CD1-CD2 3.91Å; L534-L558 HydrophobicContact CD1-CG 4Å; L535-L558 HydrophobicContact CD2-CD1 3.74Å; L535-L558 HydrophobicContact CG-CD1 4.04Å; C554-L558 WeakPolarHBondContact O-CG 3.46Å; C554-L558 PolarHBondContact O-N 2.76Å; V555-L558 PolarHBondContact O-N 2.76Å; V555-L558 VanDerWaalsContact O-N 3.16Å; L558-N562 VanDerWaalsContact O-CB 3.3Å; L558-N562 WeakPolarHBondContact O-CB 3.32Å; L558-N562 PolarHBondContact O-N 2.93Å; L558-I573 HydrophobicContact CD2-CG2 4.07Å; L558-I573 WeakPolarHBondContact O-CD1 3.4Å; L558-F586 HydrophobicContact CB-CE2 4.29Å; L558-F586 HydrophobicContact CD1-CD2 4.09Å; L558-F586 HydrophobicContact CD1-CE2 3.57Å; L558-F586 HydrophobicContact CD1-CZ 4.19Å
559	L	97.9	Very high	92.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-45.8	174.3	-69.2	174.2	0	0	0	111.9	V555 N556 L557 N562 L563 L590 L593 P600 V601 V614 F617	V555-L559 HydrophobicContact CG1-CD1 4.12Å; V555-L559 HydrophobicContact CG1-CG 4.48Å; V555-L559 WeakPolarHBondContact O-CG 3.44Å; V555-L559 PolarHBondContact O-N 2.91Å; N556-L559 PolarHBondContact O-N 2.7Å; L557-L559 VanDerWaalsContact C-N 3.31Å; L557-L559 PolarHBondContact O-N 3.15Å; L559-N562 WeakPolarHBondContact O-CB 3.48Å; L559-N562 PolarHBondContact O-N 2.93Å; L559-L563 PolarHBondContact O-N 3.38Å; L559-L590 HydrophobicContact CD2-CD2 3.91Å; L559-L593 HydrophobicContact CD1-CD1 3.9Å; L559-P600 HydrophobicContact CD1-CG 3.72Å; L559-V601 HydrophobicContact CB-CG2 3.54Å; L559-V614 HydrophobicContact CD1-CG2 3.92Å; L559-V614 HydrophobicContact CD2-CG2 4.47Å; L559-F617 HydrophobicContact CD2-CB 3.57Å; L559-F617 HydrophobicContact CD2-CD1 4.45Å; L559-F617 HydrophobicContact CD2-CD2 3.76Å; L559-F617 HydrophobicContact CD2-CG 3.68Å
560	A	97.4	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-46.6	179.4	0	0	0	0	0	112.5	A509 F512 N556 L557 N562 L563 V601	A509-A560 HydrophobicContact CB-CB 4.33Å; F512-A560 HydrophobicContact CB-CB 3.85Å; N556-A560 WeakPolarHBondContact O-CB 3.47Å; N556-A560 PolarHBondContact O-N 3.15Å; L557-A560 PolarHBondContact O-N 3.31Å; A560-N562 PolarHBondContact O-N 3.24Å; A560-L563 WeakPolarHBondContact O-CB 3.46Å; A560-L563 PolarHBondContact O-N 3.3Å; A560-L563 VanDerWaalsContact O-N 3.14Å; A560-V601 HydrophobicContact CB-CG1 3.68Å; A560-V601 HydrophobicContact CB-CG2 4.1Å
561	L	96.3	Very high	92.5	Very high	8 Å²	8	35 Å²	35	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-29.2	173.4	-72.8	167.5	0	0	0	112	F512 L526 F530 L534 L557 H564 I573	F512-L561 HydrophobicContact CD1-CD2 3.98Å; F512-L561 HydrophobicContact CD2-CD2 3.58Å; F512-L561 HydrophobicContact CD2-CG 4.39Å; F512-L561 HydrophobicContact CE1-CD2 3.83Å; F512-L561 HydrophobicContact CE2-CD2 3.45Å; F512-L561 VanDerWaalsContact CE2-CD2 3.45Å; F512-L561 HydrophobicContact CG-CD2 3.86Å; F512-L561 HydrophobicContact CZ-CD2 3.61Å; L526-L561 HydrophobicContact CD2-CD2 4.23Å; F530-L561 HydrophobicContact CD1-CD1 4.25Å; F530-L561 HydrophobicContact CE1-CD1 3.99Å; L534-L561 HydrophobicContact CD1-CD1 3.98Å; L557-L561 HydrophobicContact CD1-CD1 3.78Å; L557-L561 HydrophobicContact CD1-CG 3.81Å; L557-L561 HydrophobicContact CG-CD1 3.86Å; L557-L561 HydrophobicContact CG-CG 4.37Å; L557-L561 WeakPolarHBondContact O-CB 3.42Å; L557-L561 VanDerWaalsContact O-CG 3.3Å; L557-L561 WeakPolarHBondContact O-CG 3.39Å; L557-L561 PolarHBondContact O-N 3.07Å; L561-H564 PolarHBondContact O-CE1 2.78Å; L561-H564 PolarHBondContact O-ND1 3.34Å; L561-I573 HydrophobicContact CB-CD1 3.82Å
562	N	96.4	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-74.5	-26.5	178.8	-164.5	70.2	0	0	0	113.6	L558 L559 A560 H564 L565 N571 I573 K616 F617 D620	L558-N562 VanDerWaalsContact O-CB 3.3Å; L558-N562 WeakPolarHBondContact O-CB 3.32Å; L558-N562 PolarHBondContact O-N 2.93Å; L559-N562 WeakPolarHBondContact O-CB 3.48Å; L559-N562 PolarHBondContact O-N 2.93Å; A560-N562 PolarHBondContact O-N 3.24Å; N562-H564 VanDerWaalsContact C-N 3.33Å; N562-H564 PolarHBondContact O-N 3.14Å; N562-L565 PolarHBondContact O-N 3.22Å; N562-N571 PolarHBondContact OD1-ND2 3.1Å; N562-I573 HydrophobicContact CB-CD1 3.8Å; N562-K616 WeakPolarHBondContact ND2-CD 3.41Å; N562-K616 PolarHBondContact ND2-NZ 3.16Å; N562-K616 PolarHBondContact O-NZ 3.17Å; N562-F617 HydrophobicContact CB-CD2 3.5Å; N562-F617 HydrophobicContact CB-CE2 3.96Å; N562-F617 VanDerWaalsContact CG-CD2 3.49Å; N562-F617 WeakPolarHBondContact ND2-CA 3.23Å; N562-D620 PolarHBondContact ND2-OD2 3.44Å; N562-D620 PolarHBondContact OD1-OD2 2.73Å
563	L	94.7	Very high	92.4	Very high	14 Å²	14	32.4 Å²	32.4	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-43.8	-175	-75.4	174.8	0	0	0	113	S513 L559 A560 L565 V601 P610 P611	S513-L563 WeakPolarHBondContact O-CD1 3.46Å; L559-L563 PolarHBondContact O-N 3.38Å; A560-L563 WeakPolarHBondContact O-CB 3.46Å; A560-L563 PolarHBondContact O-N 3.3Å; A560-L563 VanDerWaalsContact O-N 3.14Å; L563-L565 VanDerWaalsContact C-N 3.34Å; L563-L565 PolarHBondContact O-N 3.21Å; L563-V601 HydrophobicContact CD1-CG1 3.69Å; L563-P610 HydrophobicContact CD1-CB 4.45Å; L563-P611 HydrophobicContact CD2-CG 4.18Å
564	H	91.4	Very high	92.4	Very high	19 Å²	19	31.1 Å²	31.1	9%	0.088	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.3	-174.6	73.6	-88.1	0	0	0	115	F512 G515 E516 Y523 L561 N562 P566	F512-H564 AromaticContact CD1-CE1 3.71Å; F512-H564 AromaticContact CD1-ND1 3.44Å; F512-H564 WeakPolarHBondContact CD1-ND1 3.48Å; F512-H564 AromaticContact CE1-CE1 3.42Å; F512-H564 VanDerWaalsContact CE1-CE1 3.42Å; F512-H564 WeakPolarHBondContact CE1-CE1 3.4Å; F512-H564 AromaticContact CE1-ND1 3.6Å; G515-H564 WeakPolarHBondContact O-CA 3.41Å; G515-H564 WeakPolarHBondContact O-CB 3.4Å; E516-H564 WeakPolarHBondContact O-CB 3.29Å; Y523-H564 AromaticContact CE1-NE2 3.67Å; Y523-H564 AromaticContact CZ-NE2 3.81Å; Y523-H564 PolarHBondContact OH-CD2 3.38Å; Y523-H564 VanDerWaalsContact OH-CD2 3.27Å; Y523-H564 PolarHBondContact OH-NE2 2.82Å; Y523-H564 VanDerWaalsContact OH-NE2 3.15Å; L561-H564 PolarHBondContact O-CE1 2.78Å; L561-H564 PolarHBondContact O-ND1 3.34Å; N562-H564 VanDerWaalsContact C-N 3.33Å; N562-H564 PolarHBondContact O-N 3.14Å; H564-P566 WeakPolarHBondContact O-CD 3.46Å
565	L	90.8	Very high	92.2	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.047	19%	0.189	C	C	.	.			trans	-89.3	108.8	-178.4	-64.9	174.4	0	0	0	109.8	Y523 N562 L563 A567 N571 V572 I573 K616	Y523-L565 HydrophobicContact CE1-CD2 3.95Å; N562-L565 PolarHBondContact O-N 3.22Å; L563-L565 VanDerWaalsContact C-N 3.34Å; L563-L565 PolarHBondContact O-N 3.21Å; L565-A567 PolarHBondContact O-N 3.1Å; L565-N571 HydrophobicContact CB-CB 4.48Å; L565-N571 HydrophobicContact CD1-CB 4.36Å; L565-N571 VanDerWaalsContact CD1-OD1 3.26Å; L565-N571 WeakPolarHBondContact CD1-OD1 3.43Å; L565-V572 HydrophobicContact CD1-CG2 3.99Å; L565-I573 HydrophobicContact CD1-CD1 4.14Å; L565-I573 HydrophobicContact CD1-CG1 4.19Å; L565-K616 PolarHBondContact O-NZ 3.31Å
566	P	85	Confident	92	Very high	128 Å²	128	32.7 Å²	32.7	83%	0.831	19%	0.189	S	C	*	.			trans	-81.9	-16.8	-165.2	32.1	-37.1	0	0	0	115	H564	H564-P566 WeakPolarHBondContact O-CD 3.46Å
567	A	84.6	Confident	91.8	Very high	35 Å²	35	31.1 Å²	31.1	29%	0.289	18%	0.18	S	C	.	.			trans	-138.8	134.2	-174.7	0	0	0	0	0	111.5	L565 D569 Q570 N571	L565-A567 PolarHBondContact O-N 3.1Å; A567-D569 VanDerWaalsContact C-N 3.33Å; A567-D569 PolarHBondContact O-N 3.11Å; A567-Q570 PolarHBondContact O-N 2.94Å; A567-N571 WeakPolarHBondContact O-CB 3.26Å; A567-N571 PolarHBondContact O-N 3.45Å
568	P	79.5	Confident	91.5	Very high	45 Å²	45	34 Å²	34	29%	0.292	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-65.3	-33	-175.7	25.7	-34.6	0	0	0	113	Q570 N571	P568-Q570 VanDerWaalsContact C-N 3.26Å; P568-Q570 PolarHBondContact O-N 2.69Å; P568-N571 VanDerWaalsContact O-CB 3.29Å; P568-N571 WeakPolarHBondContact O-CB 3.3Å; P568-N571 PolarHBondContact O-N 3.33Å; P568-N571 VanDerWaalsContact O-N 3.15Å
569	D	80.8	Confident	90.9	Very high	149 Å²	149	40.6 Å²	40.6	80%	0.797	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.5	-25.7	-178	-59.7	-35.7	0	0	0	113.8	A567	A567-D569 VanDerWaalsContact C-N 3.33Å; A567-D569 PolarHBondContact O-N 3.11Å
570	Q	85	Confident	89.7	Confident	167 Å²	167	44.1 Å²	44.1	78%	0.78	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-105.9	4.6	178.1	-61.7	-177.8	10.4	0	0	112	A567 P568 V572	A567-Q570 PolarHBondContact O-N 2.94Å; P568-Q570 VanDerWaalsContact C-N 3.26Å; P568-Q570 PolarHBondContact O-N 2.69Å; Q570-V572 PolarHBondContact O-N 2.85Å
571	N	92.1	Very high	88	Confident	1 Å²	1	49 Å²	49	1%	0.005	29%	0.286	C	S	.	.			trans	-78.9	113.5	-173.4	-177.2	-36.3	0	0	0	110.7	N562 L565 A567 P568 I573 M574 A575	N562-N571 PolarHBondContact OD1-ND2 3.1Å; L565-N571 HydrophobicContact CB-CB 4.48Å; L565-N571 HydrophobicContact CD1-CB 4.36Å; L565-N571 VanDerWaalsContact CD1-OD1 3.26Å; L565-N571 WeakPolarHBondContact CD1-OD1 3.43Å; A567-N571 WeakPolarHBondContact O-CB 3.26Å; A567-N571 PolarHBondContact O-N 3.45Å; P568-N571 VanDerWaalsContact O-CB 3.29Å; P568-N571 WeakPolarHBondContact O-CB 3.3Å; P568-N571 PolarHBondContact O-N 3.33Å; P568-N571 VanDerWaalsContact O-N 3.15Å; N571-I573 PolarHBondContact O-N 2.87Å; N571-I573 WeakPolarHBondContact OD1-CA 3.38Å; N571-I573 VanDerWaalsContact OD1-CB 3.3Å; N571-I573 WeakPolarHBondContact OD1-CB 3.13Å; N571-I573 PolarHBondContact OD1-N 2.67Å; N571-M574 HydrophobicContact CB-CB 3.96Å; N571-M574 HydrophobicContact CB-CG 3.77Å; N571-M574 VanDerWaalsContact CG-CG 3.49Å; N571-M574 PolarHBondContact O-N 2.89Å; N571-M574 VanDerWaalsContact O-N 3.17Å; N571-M574 PolarHBondContact OD1-N 3.06Å; N571-M574 VanDerWaalsContact OD1-N 3.09Å; N571-A575 WeakPolarHBondContact O-CB 3.32Å; N571-A575 PolarHBondContact O-N 3.38Å
572	V	93.1	Very high	86.9	Confident	31 Å²	31	53.6 Å²	53.6	19%	0.188	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.1	-177.8	-65	0	0	0	0	113.9	T528 L565 Q570 A576	T528-V572 PolarHBondContact OG1-O 2.99Å; L565-V572 HydrophobicContact CD1-CG2 3.99Å; Q570-V572 PolarHBondContact O-N 2.85Å; V572-A576 PolarHBondContact O-N 2.55Å
573	I	94.4	Very high	86.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.015	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-42.6	176.7	-52.4	172.7	0	0	0	110	A531 L558 L561 N562 L565 N571 A575 A576 L577 F617	A531-I573 HydrophobicContact CB-CG1 4.25Å; L558-I573 HydrophobicContact CD2-CG2 4.07Å; L558-I573 WeakPolarHBondContact O-CD1 3.4Å; L561-I573 HydrophobicContact CB-CD1 3.82Å; N562-I573 HydrophobicContact CB-CD1 3.8Å; L565-I573 HydrophobicContact CD1-CD1 4.14Å; L565-I573 HydrophobicContact CD1-CG1 4.19Å; N571-I573 PolarHBondContact O-N 2.87Å; N571-I573 WeakPolarHBondContact OD1-CA 3.38Å; N571-I573 VanDerWaalsContact OD1-CB 3.3Å; N571-I573 WeakPolarHBondContact OD1-CB 3.13Å; N571-I573 PolarHBondContact OD1-N 2.67Å; I573-A575 VanDerWaalsContact C-N 3.27Å; I573-A575 PolarHBondContact O-N 3.01Å; I573-A576 CarbonylContact O-C 3.56Å; I573-A576 WeakPolarHBondContact O-CA 3.35Å; I573-A576 VanDerWaalsContact O-CB 3.24Å; I573-A576 WeakPolarHBondContact O-CB 3.3Å; I573-A576 PolarHBondContact O-N 3.17Å; I573-L577 PolarHBondContact O-N 3.14Å; I573-F617 HydrophobicContact CG2-CE2 3.99Å; I573-F617 HydrophobicContact CG2-CZ 4.08Å
574	M	94.9	Very high	86.4	Confident	7 Å²	7	57 Å²	57	3%	0.034	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-35.3	172.9	-60.7	-55.7	136.4	0	0	111.4	N571 A576 L577 S578 F617 D620 V621 T627	N571-M574 HydrophobicContact CB-CB 3.96Å; N571-M574 HydrophobicContact CB-CG 3.77Å; N571-M574 VanDerWaalsContact CG-CG 3.49Å; N571-M574 PolarHBondContact O-N 2.89Å; N571-M574 VanDerWaalsContact O-N 3.17Å; N571-M574 PolarHBondContact OD1-N 3.06Å; N571-M574 VanDerWaalsContact OD1-N 3.09Å; M574-A576 PolarHBondContact O-N 2.84Å; M574-L577 HydrophobicContact CE-CD1 4.15Å; M574-L577 PolarHBondContact O-N 3.24Å; M574-L577 HydrophobicContact SD-CD1 3.89Å; M574-S578 WeakPolarHBondContact O-CB 3.49Å; M574-S578 PolarHBondContact O-N 3.46Å; M574-S578 PolarHBondContact O-OG 3.02Å; M574-F617 HydrophobicContact CE-CD1 4.39Å; M574-F617 HydrophobicContact CE-CD2 4.33Å; M574-F617 HydrophobicContact CE-CE1 4.07Å; M574-F617 HydrophobicContact CE-CE2 4.03Å; M574-F617 HydrophobicContact CE-CG 4.49Å; M574-F617 HydrophobicContact CE-CZ 3.88Å; M574-D620 HydrophobicContact CE-CB 3.6Å; M574-D620 HydrophobicContact CG-CB 4.17Å; M574-D620 HydrophobicContact SD-CB 3.96Å; M574-V621 HydrophobicContact CE-CG2 3.97Å; M574-V621 HydrophobicContact SD-CG2 3.86Å; M574-T627 HydrophobicContact CB-CG2 3.95Å; M574-T627 WeakPolarHBondContact O-CG2 3.08Å; M574-T627 HydrophobicContact SD-CG2 4.1Å
575	A	93.4	Very high	86.5	Confident	35 Å²	35	59.1 Å²	59.1	29%	0.289	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-15.8	170	0	0	0	0	0	114.3	N571 I573 K579	N571-A575 WeakPolarHBondContact O-CB 3.32Å; N571-A575 PolarHBondContact O-N 3.38Å; I573-A575 VanDerWaalsContact C-N 3.27Å; I573-A575 PolarHBondContact O-N 3.01Å; A575-K579 VanDerWaalsContact O-CD 3.29Å; A575-K579 WeakPolarHBondContact O-CD 3.46Å; A575-K579 VanDerWaalsContact O-CE 3.28Å; A575-K579 WeakPolarHBondContact O-CE 3.44Å; A575-K579 WeakPolarHBondContact O-CG 3.41Å
576	A	92.9	Very high	86.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-84.3	-52	168.7	0	0	0	0	0	110.7	T528 A531 Q532 L535 V572 I573 M574 S578 K579 H580	T528-A576 HydrophobicContact CG2-CB 3.94Å; A531-A576 HydrophobicContact CB-CB 3.79Å; Q532-A576 HydrophobicContact CG-CB 3.81Å; L535-A576 HydrophobicContact CD1-CB 4.16Å; V572-A576 PolarHBondContact O-N 2.55Å; I573-A576 CarbonylContact O-C 3.56Å; I573-A576 WeakPolarHBondContact O-CA 3.35Å; I573-A576 VanDerWaalsContact O-CB 3.24Å; I573-A576 WeakPolarHBondContact O-CB 3.3Å; I573-A576 PolarHBondContact O-N 3.17Å; M574-A576 PolarHBondContact O-N 2.84Å; A576-S578 PolarHBondContact O-N 3.46Å; A576-K579 WeakPolarHBondContact O-CB 3.38Å; A576-K579 PolarHBondContact O-N 3.11Å; A576-H580 PolarHBondContact O-CD2 2.89Å; A576-H580 PolarHBondContact O-N 3.48Å
577	L	92.6	Very high	87.1	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-46.5	-179.5	-71	173.4	0	0	0	112.3	L535 I573 M574 K579 H580 V583 F586 F617 V621 T627 I630	L535-L577 HydrophobicContact CD1-CD2 3.88Å; L535-L577 HydrophobicContact CD1-CG 4.46Å; L535-L577 HydrophobicContact CD2-CD2 4.01Å; I573-L577 PolarHBondContact O-N 3.14Å; M574-L577 HydrophobicContact CE-CD1 4.15Å; M574-L577 PolarHBondContact O-N 3.24Å; M574-L577 HydrophobicContact SD-CD1 3.89Å; L577-K579 PolarHBondContact O-N 2.82Å; L577-H580 PolarHBondContact O-N 3.34Å; L577-V583 HydrophobicContact CD2-CG1 4.48Å; L577-V583 HydrophobicContact CD2-CG2 4.28Å; L577-F586 HydrophobicContact CD2-CD1 4.15Å; L577-F586 HydrophobicContact CD2-CE1 4Å; L577-F617 HydrophobicContact CD1-CE1 4.03Å; L577-F617 HydrophobicContact CD1-CZ 3.89Å; L577-V621 HydrophobicContact CD1-CG2 3.99Å; L577-T627 HydrophobicContact CB-CG2 4.1Å; L577-I630 HydrophobicContact CB-CG2 4.47Å; L577-I630 HydrophobicContact CD1-CD1 4.34Å; L577-I630 HydrophobicContact CD2-CD1 4.4Å
578	S	90.9	Very high	87.6	Confident	61 Å²	61	55 Å²	55	43%	0.427	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.7	177.4	52.2	0	0	0	0	115.1	M574 A576	M574-S578 WeakPolarHBondContact O-CB 3.49Å; M574-S578 PolarHBondContact O-N 3.46Å; M574-S578 PolarHBondContact O-OG 3.02Å; A576-S578 PolarHBondContact O-N 3.46Å
579	K	85.9	Confident	88.4	Confident	139 Å²	139	55.1 Å²	55.1	60%	0.604	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-16.7	174.5	-64.5	173.6	-174	165	0	113.3	A575 A576 L577	A575-K579 VanDerWaalsContact O-CD 3.29Å; A575-K579 WeakPolarHBondContact O-CD 3.46Å; A575-K579 VanDerWaalsContact O-CE 3.28Å; A575-K579 WeakPolarHBondContact O-CE 3.44Å; A575-K579 WeakPolarHBondContact O-CG 3.41Å; A576-K579 WeakPolarHBondContact O-CB 3.38Å; A576-K579 PolarHBondContact O-N 3.11Å; L577-K579 PolarHBondContact O-N 2.82Å
580	H	72.5	Confident	89.1	Confident	73 Å²	73	48 Å²	48	34%	0.338	26%	0.258	S	S	.	.			trans	-108.3	99.8	-174.2	-83.5	-87.9	0	0	0	110.8	Q532 A576 L577 N582 V583	Q532-H580 WeakPolarHBondContact CB-NE2 3.44Å; Q532-H580 WeakPolarHBondContact CG-NE2 3.3Å; Q532-H580 PolarHBondContact NE2-NE2 3.33Å; A576-H580 PolarHBondContact O-CD2 2.89Å; A576-H580 PolarHBondContact O-N 3.48Å; L577-H580 PolarHBondContact O-N 3.34Å; H580-N582 PolarHBondContact O-N 3.41Å; H580-V583 HydrophobicContact CB-CG1 3.88Å
581	A	60.6	Low	89.6	Confident	103 Å²	103	40.9 Å²	40.9	85%	0.851	23%	0.225	S	C	*	.	S	Bend	trans	-76.9	4.1	-177.7	0	0	0	0	0	115
582	N	73.6	Confident	89.7	Confident	104 Å²	104	45.1 Å²	45.1	56%	0.556	25%	0.247	S	C	*	.			trans	-143.9	77.2	-176.7	-171.2	55.5	0	0	0	110.4	H580	H580-N582 PolarHBondContact O-N 3.41Å
583	V	89	Confident	89.9	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.024	24%	0.244	C	C	.	.			trans	-119.9	55.8	177.4	-74.5	0	0	0	0	110	L535 E539 L577 H580 F586 S587 I630	L535-V583 HydrophobicContact CD2-CG1 4.2Å; E539-V583 VanDerWaalsContact CD-C 3.49Å; E539-V583 VanDerWaalsContact CD-CA 3.43Å; E539-V583 HydrophobicContact CG-CG1 4.49Å; E539-V583 VanDerWaalsContact OE1-CA 3.23Å; E539-V583 WeakPolarHBondContact OE1-CA 3.5Å; L577-V583 HydrophobicContact CD2-CG1 4.48Å; L577-V583 HydrophobicContact CD2-CG2 4.28Å; H580-V583 HydrophobicContact CB-CG1 3.88Å; V583-F586 HydrophobicContact CB-CB 4.27Å; V583-S587 PolarHBondContact O-N 3.44Å; V583-S587 VanDerWaalsContact O-N 3.11Å; V583-S587 PolarHBondContact O-OG 2.94Å; V583-I630 HydrophobicContact CG2-CB 3.62Å; V583-I630 HydrophobicContact CG2-CG2 3.43Å; V583-I630 VanDerWaalsContact CG2-CG2 3.43Å
584	K	91.6	Very high	90	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.357	24%	0.244	S	C	.	.	H	α-helix	trans	-76.3	-43.7	-168.9	-178.3	179.4	178.3	-69.8	0	111.8	E539 F586 S587 E588 Y632	E539-K584 VanDerWaalsContact CD-N 3.34Å; E539-K584 PolarHBondContact OE1-N 3.41Å; E539-K584 PolarHBondContact OE2-N 3.04Å; K584-F586 VanDerWaalsContact C-N 3.3Å; K584-S587 PolarHBondContact O-N 2.91Å; K584-S587 PolarHBondContact O-OG 2.8Å; K584-S587 VanDerWaalsContact O-OG 3.08Å; K584-E588 WeakPolarHBondContact CE-OE1 3.26Å; K584-E588 IonicContact NZ-OE1 3.2Å; K584-E588 PolarHBondContact NZ-OE1 3.36Å; K584-E588 IonicContact NZ-OE2 3.79Å; K584-E588 PolarHBondContact NZ-OE2 3.15Å; K584-E588 VanDerWaalsContact NZ-OE2 3.14Å; K584-E588 WeakPolarHBondContact O-CB 3.1Å; K584-E588 WeakPolarHBondContact O-CG 3.37Å; K584-E588 PolarHBondContact O-N 3.07Å; K584-Y632 HydrophobicContact CB-CE2 4.29Å; K584-Y632 HydrophobicContact CD-CE2 4.45Å; K584-Y632 HydrophobicContact CG-CE2 4.19Å
585	I	93.4	Very high	90	Very high	64 Å²	64	48.2 Å²	48.2	33%	0.328	26%	0.263	S	S	.	.	H	α-helix	trans	-67.8	-38.1	179.8	-57.9	-172.7	0	0	0	109.5	V538 E539 K589	V538-I585 HydrophobicContact CG1-CG2 4.24Å; V538-I585 WeakPolarHBondContact O-CG2 3.26Å; E539-I585 WeakPolarHBondContact O-CD1 3.38Å; E539-I585 PolarHBondContact OE1-N 3.15Å; E539-I585 PolarHBondContact OE2-N 3.05Å; I585-K589 HydrophobicContact CG2-CD 4.08Å; I585-K589 HydrophobicContact CG2-CG 4.46Å; I585-K589 WeakPolarHBondContact O-CB 3.33Å; I585-K589 VanDerWaalsContact O-CG 3.32Å; I585-K589 WeakPolarHBondContact O-CG 3.48Å; I585-K589 PolarHBondContact O-N 3.15Å
586	F	95.1	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-48.4	174.7	-176.4	-106.1	0	0	0	112.1	L535 V538 E539 V555 L558 L577 V583 K584 K589 L590 F617	L535-F586 HydrophobicContact CD2-CB 4.34Å; L535-F586 HydrophobicContact CD2-CD1 3.98Å; L535-F586 HydrophobicContact CD2-CD2 3.95Å; L535-F586 HydrophobicContact CD2-CE1 4.29Å; L535-F586 HydrophobicContact CD2-CE2 4.3Å; L535-F586 HydrophobicContact CD2-CG 3.81Å; L535-F586 HydrophobicContact CD2-CZ 4.46Å; V538-F586 HydrophobicContact CG1-CB 3.94Å; V538-F586 HydrophobicContact CG1-CD2 4.23Å; E539-F586 VanDerWaalsContact OE1-CB 3.27Å; E539-F586 WeakPolarHBondContact OE1-CB 3.38Å; E539-F586 PolarHBondContact OE1-N 2.99Å; V555-F586 HydrophobicContact CG1-CE2 4.41Å; V555-F586 HydrophobicContact CG2-CD2 3.95Å; V555-F586 HydrophobicContact CG2-CE2 4.21Å; L558-F586 HydrophobicContact CB-CE2 4.29Å; L558-F586 HydrophobicContact CD1-CD2 4.09Å; L558-F586 HydrophobicContact CD1-CE2 3.57Å; L558-F586 HydrophobicContact CD1-CZ 4.19Å; L577-F586 HydrophobicContact CD2-CD1 4.15Å; L577-F586 HydrophobicContact CD2-CE1 4Å; V583-F586 HydrophobicContact CB-CB 4.27Å; K584-F586 VanDerWaalsContact C-N 3.3Å; F586-K589 PolarHBondContact O-N 3.39Å; F586-L590 HydrophobicContact CD1-CD1 4.01Å; F586-L590 HydrophobicContact CE1-CD1 3.48Å; F586-L590 VanDerWaalsContact CE1-CD1 3.48Å; F586-L590 HydrophobicContact CE1-CG 4.18Å; F586-L590 HydrophobicContact CZ-CD1 3.81Å; F586-L590 HydrophobicContact CZ-CD2 4.32Å; F586-L590 HydrophobicContact CZ-CG 4.15Å; F586-L590 WeakPolarHBondContact O-CG 3.41Å; F586-L590 PolarHBondContact O-N 3.27Å; F586-F617 AromaticContact CE1-CE1 3.69Å; F586-F617 HydrophobicContact CE1-CE1 3.69Å; F586-F617 AromaticContact CE1-CZ 3.75Å; F586-F617 HydrophobicContact CE1-CZ 3.75Å; F586-F617 AromaticContact CZ-CE1 3.7Å; F586-F617 HydrophobicContact CZ-CE1 3.7Å; F586-F617 HydrophobicContact CZ-CE2 4.25Å; F586-F617 AromaticContact CZ-CZ 3.46Å; F586-F617 HydrophobicContact CZ-CZ 3.46Å; F586-F617 VanDerWaalsContact CZ-CZ 3.46Å
587	S	94.1	Very high	89.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.6	-37.8	177.7	61.7	0	0	0	0	112.8	V583 K584 L590 L591	V583-S587 PolarHBondContact O-N 3.44Å; V583-S587 VanDerWaalsContact O-N 3.11Å; V583-S587 PolarHBondContact O-OG 2.94Å; K584-S587 PolarHBondContact O-N 2.91Å; K584-S587 PolarHBondContact O-OG 2.8Å; K584-S587 VanDerWaalsContact O-OG 3.08Å; S587-L590 PolarHBondContact O-N 3.32Å; S587-L591 WeakPolarHBondContact O-CG 3.41Å; S587-L591 PolarHBondContact O-N 3.45Å
588	E	94.5	Very high	89.7	Confident	84 Å²	84	60.4 Å²	60.4	39%	0.393	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-41.7	173.1	-73.9	176	160.3	0	0	112.1	K584 L591 L592	K584-E588 WeakPolarHBondContact CE-OE1 3.26Å; K584-E588 IonicContact NZ-OE1 3.2Å; K584-E588 PolarHBondContact NZ-OE1 3.36Å; K584-E588 IonicContact NZ-OE2 3.79Å; K584-E588 PolarHBondContact NZ-OE2 3.15Å; K584-E588 VanDerWaalsContact NZ-OE2 3.14Å; K584-E588 WeakPolarHBondContact O-CB 3.1Å; K584-E588 WeakPolarHBondContact O-CG 3.37Å; K584-E588 PolarHBondContact O-N 3.07Å; E588-L591 PolarHBondContact O-N 3.34Å; E588-L592 PolarHBondContact O-N 2.92Å
589	K	94.9	Very high	89.9	Confident	49 Å²	49	58.5 Å²	58.5	21%	0.213	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-39.7	174.7	-75.2	175.8	-175.6	-75.2	0	112.1	V538 D552 V555 I585 F586 L591 L592 L593	V538-K589 HydrophobicContact CG1-CD 4.29Å; D552-K589 IonicContact OD1-NZ 2.77Å; D552-K589 PolarHBondContact OD1-NZ 3.28Å; V555-K589 HydrophobicContact CG2-CB 4.3Å; V555-K589 HydrophobicContact CG2-CD 3.89Å; I585-K589 HydrophobicContact CG2-CD 4.08Å; I585-K589 HydrophobicContact CG2-CG 4.46Å; I585-K589 WeakPolarHBondContact O-CB 3.33Å; I585-K589 VanDerWaalsContact O-CG 3.32Å; I585-K589 WeakPolarHBondContact O-CG 3.48Å; I585-K589 PolarHBondContact O-N 3.15Å; F586-K589 PolarHBondContact O-N 3.39Å; K589-L591 PolarHBondContact O-N 3.12Å; K589-L592 PolarHBondContact O-N 3.32Å; K589-L593 WeakPolarHBondContact O-CG 3.31Å; K589-L593 PolarHBondContact O-N 2.94Å
590	L	95.8	Very high	90.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-41.2	173.4	-75.1	179.8	0	0	0	112.4	L559 F586 S587 L593 L594 F617 L618	L559-L590 HydrophobicContact CD2-CD2 3.91Å; F586-L590 HydrophobicContact CD1-CD1 4.01Å; F586-L590 HydrophobicContact CE1-CD1 3.48Å; F586-L590 VanDerWaalsContact CE1-CD1 3.48Å; F586-L590 HydrophobicContact CE1-CG 4.18Å; F586-L590 HydrophobicContact CZ-CD1 3.81Å; F586-L590 HydrophobicContact CZ-CD2 4.32Å; F586-L590 HydrophobicContact CZ-CG 4.15Å; F586-L590 WeakPolarHBondContact O-CG 3.41Å; F586-L590 PolarHBondContact O-N 3.27Å; S587-L590 PolarHBondContact O-N 3.32Å; L590-L593 PolarHBondContact O-N 3.21Å; L590-L594 WeakPolarHBondContact O-CB 3.48Å; L590-L594 PolarHBondContact O-N 2.85Å; L590-F617 HydrophobicContact CD1-CD1 3.96Å; L590-F617 HydrophobicContact CD1-CE1 3.85Å; L590-F617 HydrophobicContact CD2-CD1 4.42Å; L590-L618 HydrophobicContact CD1-CD2 4.32Å
591	L	95.4	Very high	91.4	Very high	17 Å²	17	50 Å²	50	9%	0.089	27%	0.267	C	S	.	.	H	α-helix	trans	-64.3	-39.1	174.4	-72.9	-179.2	0	0	0	112.7	S587 E588 K589 L594 N595 F631 D635 A638 L639 I642	S587-L591 WeakPolarHBondContact O-CG 3.41Å; S587-L591 PolarHBondContact O-N 3.45Å; E588-L591 PolarHBondContact O-N 3.34Å; K589-L591 PolarHBondContact O-N 3.12Å; L591-L594 PolarHBondContact O-N 3.37Å; L591-N595 WeakPolarHBondContact O-CB 3.39Å; L591-N595 PolarHBondContact O-N 2.95Å; L591-F631 HydrophobicContact CD2-CE1 4.2Å; L591-F631 HydrophobicContact CG-CE1 4.12Å; L591-D635 HydrophobicContact CD1-CB 3.77Å; L591-A638 HydrophobicContact CD1-CB 4.33Å; L591-L639 HydrophobicContact CD2-CB 3.8Å; L591-L639 HydrophobicContact CD2-CD1 3.56Å; L591-L639 HydrophobicContact CD2-CG 4.31Å; L591-I642 HydrophobicContact CD2-CD1 4.4Å
592	L	95.9	Very high	92.9	Very high	89 Å²	89	50.2 Å²	50.2	47%	0.466	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-43.7	176.1	179.9	62.1	0	0	0	111.7	E588 K589 N595 R596	E588-L592 PolarHBondContact O-N 2.92Å; K589-L592 PolarHBondContact O-N 3.32Å; L592-N595 PolarHBondContact O-N 3.23Å; L592-R596 WeakPolarHBondContact O-CG 3.39Å; L592-R596 PolarHBondContact O-N 2.96Å; L592-R596 VanDerWaalsContact O-N 3.15Å
593	L	96.1	Very high	93.8	Very high	26 Å²	26	48.8 Å²	48.8	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-48.1	175.4	-69.3	171.7	0	0	0	111.4	V555 L559 K589 L590 N595 R596 G597 P600 V614	V555-L593 HydrophobicContact CG1-CD1 3.81Å; L559-L593 HydrophobicContact CD1-CD1 3.9Å; K589-L593 WeakPolarHBondContact O-CG 3.31Å; K589-L593 PolarHBondContact O-N 2.94Å; L590-L593 PolarHBondContact O-N 3.21Å; L593-N595 VanDerWaalsContact C-N 3.29Å; L593-N595 PolarHBondContact O-N 3.21Å; L593-R596 PolarHBondContact O-N 3.42Å; L593-R596 VanDerWaalsContact O-N 3.15Å; L593-G597 PolarHBondContact O-N 3.29Å; L593-P600 HydrophobicContact CD1-CG 4.12Å; L593-P600 HydrophobicContact CD2-CB 4.4Å; L593-P600 HydrophobicContact CD2-CG 4.04Å; L593-V614 HydrophobicContact CB-CG1 4.4Å; L593-V614 HydrophobicContact CB-CG2 4.07Å; L593-V614 HydrophobicContact CD1-CG2 4.39Å
594	L	96.3	Very high	93.9	Very high	3 Å²	3	50 Å²	50	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-38.1	176.7	-171.8	70.6	0	0	0	112.4	L590 L591 R596 G597 V614 L615 L618 L639 I642 H646 Y660 L663	L590-L594 WeakPolarHBondContact O-CB 3.48Å; L590-L594 PolarHBondContact O-N 2.85Å; L591-L594 PolarHBondContact O-N 3.37Å; L594-R596 VanDerWaalsContact C-N 3.34Å; L594-G597 PolarHBondContact O-N 3.31Å; L594-V614 HydrophobicContact CB-CG1 4.35Å; L594-V614 HydrophobicContact CD1-CG1 4.38Å; L594-L615 HydrophobicContact CD1-CD2 3.41Å; L594-L615 VanDerWaalsContact CD1-CD2 3.41Å; L594-L618 HydrophobicContact CB-CD1 4.38Å; L594-L618 HydrophobicContact CD1-CD1 3.77Å; L594-L618 HydrophobicContact CD2-CD1 3.85Å; L594-L618 HydrophobicContact CG-CD1 4.21Å; L594-L639 HydrophobicContact CD2-CD1 3.49Å; L594-L639 VanDerWaalsContact CD2-CD1 3.49Å; L594-L639 HydrophobicContact CD2-CG 4.43Å; L594-I642 HydrophobicContact CB-CG2 4.47Å; L594-I642 HydrophobicContact CD2-CB 4.38Å; L594-I642 HydrophobicContact CD2-CG2 3.89Å; L594-I642 HydrophobicContact CG-CG2 3.77Å; L594-H646 PolarHBondContact O-CE1 3.04Å; L594-H646 VanDerWaalsContact O-CE1 3.25Å; L594-Y660 HydrophobicContact CD1-CE1 3.74Å; L594-Y660 HydrophobicContact CG-CE1 4.48Å; L594-L663 HydrophobicContact CD1-CD2 4.5Å
595	N	95.6	Very high	93.9	Very high	78 Å²	78	57.8 Å²	57.8	42%	0.417	27%	0.269	S	S	.	.	H	α-helix	trans	-70.9	-28.9	178.9	-172.6	54.5	0	0	0	113.2	L591 L592 L593 I642 R645	L591-N595 WeakPolarHBondContact O-CB 3.39Å; L591-N595 PolarHBondContact O-N 2.95Å; L592-N595 PolarHBondContact O-N 3.23Å; L593-N595 VanDerWaalsContact C-N 3.29Å; L593-N595 PolarHBondContact O-N 3.21Å; N595-I642 HydrophobicContact CB-CD1 3.86Å; N595-I642 HydrophobicContact CB-CG1 4.21Å; N595-I642 HydrophobicContact CB-CG2 4.46Å; N595-R645 PolarHBondContact O-NH2 3.42Å; N595-R645 PolarHBondContact OD1-NH2 3.14Å
596	R	94.3	Very high	93.9	Very high	160 Å²	160	56 Å²	56	60%	0.604	26%	0.26	S	S	*	.	H	α-helix	trans	-72.2	-37.3	171.5	-72.7	179.3	178.8	174.2	0.7	111.9	L592 L593 L594 D598	L592-R596 WeakPolarHBondContact O-CG 3.39Å; L592-R596 PolarHBondContact O-N 2.96Å; L592-R596 VanDerWaalsContact O-N 3.15Å; L593-R596 PolarHBondContact O-N 3.42Å; L593-R596 VanDerWaalsContact O-N 3.15Å; L594-R596 VanDerWaalsContact C-N 3.34Å; R596-D598 VanDerWaalsContact C-N 3.26Å
597	G	89.6	Confident	93.6	Very high	24 Å²	24	61.9 Å²	61.9	25%	0.247	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	7.8	-176.7	0	0	0	0	0	114.2	L593 L594 H612	L593-G597 PolarHBondContact O-N 3.29Å; L594-G597 PolarHBondContact O-N 3.31Å; G597-H612 PolarHBondContact O-NE2 2.88Å
598	D	89.2	Confident	93.6	Very high	109 Å²	109	66.6 Å²	66.6	58%	0.583	32%	0.318	S	S	*	.			trans	-89.4	145	175.7	-62.9	-46.9	0	0	0	111.1	R596 P600	R596-D598 VanDerWaalsContact C-N 3.26Å; D598-P600 WeakPolarHBondContact O-CD 3.35Å
599	D	94.4	Very high	93.3	Very high	21 Å²	21	67.3 Å²	67.3	11%	0.112	32%	0.321	C	S	.	.			trans	-96.8	105.1	174.2	-171.8	-14.6	0	0	0	110.7	V601 R602 H612 S613	D599-V601 PolarHBondContact O-N 2.85Å; D599-V601 PolarHBondContact OD1-N 3.5Å; D599-R602 HydrophobicContact CB-CB 3.86Å; D599-R602 WeakPolarHBondContact O-CB 3.23Å; D599-R602 PolarHBondContact O-N 3.03Å; D599-R602 IonicContact OD2-NE 3.8Å; D599-R602 IonicContact OD2-NH2 2.72Å; D599-H612 WeakPolarHBondContact OD2-CA 3.25Å; D599-H612 IonicContact OD2-CG 2.82Å; D599-H612 IonicContact OD2-ND1 3.55Å; D599-S613 WeakPolarHBondContact OD1-CB 3.5Å; D599-S613 PolarHBondContact OD1-OG 3.44Å; D599-S613 PolarHBondContact OD2-N 3.09Å
600	P	94.7	Very high	93.2	Very high	32 Å²	32	66.1 Å²	66.1	21%	0.208	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-12.7	-176.4	33.3	-38.1	0	0	0	113.5	N556 L559 L593 D598 V614	N556-P600 VanDerWaalsContact OD1-CB 3.32Å; N556-P600 WeakPolarHBondContact OD1-CB 3.37Å; N556-P600 WeakPolarHBondContact OD1-CG 3.44Å; L559-P600 HydrophobicContact CD1-CG 3.72Å; L593-P600 HydrophobicContact CD1-CG 4.12Å; L593-P600 HydrophobicContact CD2-CB 4.4Å; L593-P600 HydrophobicContact CD2-CG 4.04Å; D598-P600 WeakPolarHBondContact O-CD 3.35Å; P600-V614 HydrophobicContact CG-CG2 4.5Å
601	V	95.6	Very high	93.1	Very high	2 Å²	2	69.1 Å²	69.1	1%	0.012	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.1	175.7	-179.2	0	0	0	0	111.2	S513 N556 L559 A560 L563 D599 I603 S613	S513-V601 WeakPolarHBondContact CB-O 3.45Å; N556-V601 WeakPolarHBondContact O-CG2 3.48Å; L559-V601 HydrophobicContact CB-CG2 3.54Å; A560-V601 HydrophobicContact CB-CG1 3.68Å; A560-V601 HydrophobicContact CB-CG2 4.1Å; L563-V601 HydrophobicContact CD1-CG1 3.69Å; D599-V601 PolarHBondContact O-N 2.85Å; D599-V601 PolarHBondContact OD1-N 3.5Å; V601-I603 PolarHBondContact O-N 3.22Å; V601-S613 WeakPolarHBondContact CG2-OG 3.3Å
602	R	92	Very high	93.1	Very high	107 Å²	107	68.6 Å²	68.6	40%	0.404	34%	0.335	S	S	.	.			trans	-79	60.3	179.9	-163.9	177.1	-63.5	-169.5	-2.7	112.2	D599	D599-R602 HydrophobicContact CB-CB 3.86Å; D599-R602 WeakPolarHBondContact O-CB 3.23Å; D599-R602 PolarHBondContact O-N 3.03Å; D599-R602 IonicContact OD2-NE 3.8Å; D599-R602 IonicContact OD2-NH2 2.72Å
603	I	91.3	Very high	93.2	Very high	73 Å²	73	64.4 Å²	64.4	37%	0.374	31%	0.313	S	S	.	.			trans	-71.5	-32.5	-179.3	-57.8	169.1	0	0	0	111.1	L506 M510 V601	L506-I603 HydrophobicContact CD1-CD1 4.47Å; M510-I603 HydrophobicContact CG-CD1 3.62Å; V601-I603 PolarHBondContact O-N 3.22Å
604	F	92.6	Very high	93.2	Very high	29 Å²	29	63.1 Å²	63.1	13%	0.127	31%	0.307	C	S	.	.			trans	-115.2	160.1	-175.2	-50	-62.6	0	0	0	113.1	C468 I475 M510 H606	C468-F604 HydrophobicContact CB-CE1 4.28Å; C468-F604 HydrophobicContact CB-CE2 3.83Å; C468-F604 HydrophobicContact CB-CZ 3.43Å; C468-F604 VanDerWaalsContact CB-CZ 3.43Å; I475-F604 HydrophobicContact CD1-CD2 3.73Å; I475-F604 HydrophobicContact CD1-CE2 3.77Å; M510-F604 HydrophobicContact CB-CE2 3.94Å; M510-F604 HydrophobicContact CB-CZ 3.99Å; M510-F604 HydrophobicContact CE-CE1 3.92Å; M510-F604 HydrophobicContact CE-CZ 3.48Å; M510-F604 VanDerWaalsContact CE-CZ 3.48Å; M510-F604 HydrophobicContact CG-CE2 4.17Å; M510-F604 HydrophobicContact CG-CZ 3.9Å; F604-H606 VanDerWaalsContact CB-CD2 3.41Å; F604-H606 WeakPolarHBondContact CB-CD2 3.42Å; F604-H606 AromaticContact CD2-CD2 3.98Å; F604-H606 AromaticContact CG-CD2 3.8Å; F604-H606 AromaticContact CG-NE2 3.84Å
605	R	91.4	Very high	93.2	Very high	246 Å²	246	63 Å²	63	93%	0.928	31%	0.306	S	S	*	.			trans	-103.1	37.8	175.4	-59.4	-177.6	-177.4	172.5	1.8	111.8
606	H	92.8	Very high	93.3	Very high	27 Å²	27	60.4 Å²	60.4	13%	0.125	29%	0.291	C	S	.	.			trans	-78.3	154	178.9	-68.6	-35.8	0	0	0	111.3	C468 A472 M514 F604	C468-H606 PolarHBondContact O-NE2 3.41Å; A472-H606 HydrophobicContact CB-CB 4.08Å; M514-H606 HydrophobicContact CE-CB 3.81Å; M514-H606 HydrophobicContact SD-CB 3.74Å; F604-H606 VanDerWaalsContact CB-CD2 3.41Å; F604-H606 WeakPolarHBondContact CB-CD2 3.42Å; F604-H606 AromaticContact CD2-CD2 3.98Å; F604-H606 AromaticContact CG-CD2 3.8Å; F604-H606 AromaticContact CG-NE2 3.84Å
607	E	89.7	Confident	93.4	Very high	123 Å²	123	52.8 Å²	52.8	58%	0.575	26%	0.262	S	S	*	.	S	Bend	trans	-116.4	144.5	175.3	-68.9	-65.6	165.3	0	0	110.1	Q609	E607-Q609 PolarHBondContact OE1-NE2 3.26Å; E607-Q609 PolarHBondContact OE2-N 3.12Å; E607-Q609 VanDerWaalsContact OE2-N 3.13Å
608	P	93	Very high	93.7	Very high	100 Å²	100	51.7 Å²	51.7	65%	0.649	25%	0.25	S	S	*	.	S	Bend	cis	-73.6	141.9	-0.7	31.4	-35.2	0	0	0	112.6	M514	M514-P608 WeakPolarHBondContact CE-O 3.4Å
609	Q	89.6	Confident	94.1	Very high	99 Å²	99	49 Å²	49	46%	0.463	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-66.1	129.4	176.7	-71.2	174.8	33.8	0	0	112.4	E607	E607-Q609 PolarHBondContact OE1-NE2 3.26Å; E607-Q609 PolarHBondContact OE2-N 3.12Å; E607-Q609 VanDerWaalsContact OE2-N 3.13Å
610	P	92.8	Very high	94.1	Very high	24 Å²	24	48.9 Å²	48.9	16%	0.156	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-71.1	162	174.8	32	-37.7	0	0	0	112.1	S513 L563	S513-P610 WeakPolarHBondContact O-CG 3.48Å; L563-P610 HydrophobicContact CD1-CB 4.45Å
611	P	92.8	Very high	94.2	Very high	63 Å²	63	47.3 Å²	47.3	41%	0.409	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-62.1	159	172.3	29.1	-36.2	0	0	0	111.4	L563 S613 K616	L563-P611 HydrophobicContact CD2-CG 4.18Å; P611-S613 PolarHBondContact O-N 3.29Å; P611-S613 VanDerWaalsContact O-N 3.16Å; P611-K616 HydrophobicContact CG-CG 4.22Å
612	H	95.8	Very high	94.2	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.028	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-64	119.3	-178.4	-171.3	-43.6	0	0	0	110.6	G597 D599 V614 L615 K616 L656 E659	G597-H612 PolarHBondContact O-NE2 2.88Å; D599-H612 WeakPolarHBondContact OD2-CA 3.25Å; D599-H612 IonicContact OD2-CG 2.82Å; D599-H612 IonicContact OD2-ND1 3.55Å; H612-V614 PolarHBondContact ND1-N 3.36Å; H612-V614 PolarHBondContact O-N 3.08Å; H612-L615 HydrophobicContact CB-CB 4.19Å; H612-L615 HydrophobicContact CB-CD1 4.03Å; H612-L615 HydrophobicContact CB-CG 4.16Å; H612-L615 PolarHBondContact O-N 3.2Å; H612-L615 VanDerWaalsContact O-N 3.17Å; H612-K616 WeakPolarHBondContact O-CB 3.47Å; H612-K616 PolarHBondContact O-N 3.48Å; H612-L656 HydrophobicContact CB-CD2 4.09Å; H612-E659 VanDerWaalsContact CB-OE2 3.29Å; H612-E659 WeakPolarHBondContact CB-OE2 3.44Å; H612-E659 PolarHBondContact N-OE2 3.17Å
613	S	96.8	Very high	94.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-46.9	-168.4	70.2	0	0	0	0	113.6	D599 V601 P611 F617	D599-S613 WeakPolarHBondContact OD1-CB 3.5Å; D599-S613 PolarHBondContact OD1-OG 3.44Å; D599-S613 PolarHBondContact OD2-N 3.09Å; V601-S613 WeakPolarHBondContact CG2-OG 3.3Å; P611-S613 PolarHBondContact O-N 3.29Å; P611-S613 VanDerWaalsContact O-N 3.16Å; S613-F617 VanDerWaalsContact O-CB 3.26Å; S613-F617 WeakPolarHBondContact O-CB 3.44Å; S613-F617 PolarHBondContact O-N 3.36Å
614	V	97.5	Very high	94.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.3	-47.2	176.8	-173.7	0	0	0	0	112.3	L559 L593 L594 P600 H612 F617 L618	L559-V614 HydrophobicContact CD1-CG2 3.92Å; L559-V614 HydrophobicContact CD2-CG2 4.47Å; L593-V614 HydrophobicContact CB-CG1 4.4Å; L593-V614 HydrophobicContact CB-CG2 4.07Å; L593-V614 HydrophobicContact CD1-CG2 4.39Å; L594-V614 HydrophobicContact CB-CG1 4.35Å; L594-V614 HydrophobicContact CD1-CG1 4.38Å; P600-V614 HydrophobicContact CG-CG2 4.5Å; H612-V614 PolarHBondContact ND1-N 3.36Å; H612-V614 PolarHBondContact O-N 3.08Å; V614-F617 PolarHBondContact O-N 2.71Å; V614-L618 HydrophobicContact CG1-CD1 3.98Å; V614-L618 HydrophobicContact CG1-CG 4.48Å; V614-L618 VanDerWaalsContact O-CG 3.29Å; V614-L618 WeakPolarHBondContact O-CG 3.16Å; V614-L618 PolarHBondContact O-N 3.26Å
615	L	96.7	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-44.2	-179	-62	178.9	0	0	0	111.2	L594 H612 F617 L618 Q619 L656 E659 Y660 L663	L594-L615 HydrophobicContact CD1-CD2 3.41Å; L594-L615 VanDerWaalsContact CD1-CD2 3.41Å; H612-L615 HydrophobicContact CB-CB 4.19Å; H612-L615 HydrophobicContact CB-CD1 4.03Å; H612-L615 HydrophobicContact CB-CG 4.16Å; H612-L615 PolarHBondContact O-N 3.2Å; H612-L615 VanDerWaalsContact O-N 3.17Å; L615-F617 VanDerWaalsContact C-N 3.35Å; L615-F617 PolarHBondContact O-N 3.44Å; L615-L618 PolarHBondContact O-N 3.18Å; L615-Q619 WeakPolarHBondContact O-CB 3.28Å; L615-Q619 VanDerWaalsContact O-CG 3.25Å; L615-Q619 WeakPolarHBondContact O-CG 3.34Å; L615-Q619 PolarHBondContact O-N 3.27Å; L615-L656 HydrophobicContact CD1-CD2 4.24Å; L615-E659 HydrophobicContact CB-CB 4.23Å; L615-E659 HydrophobicContact CD1-CB 3.62Å; L615-Y660 HydrophobicContact CD1-CD2 4.07Å; L615-Y660 HydrophobicContact CD1-CE2 3.86Å; L615-Y660 HydrophobicContact CD2-CD1 3.89Å; L615-Y660 HydrophobicContact CD2-CE1 3.6Å; L615-Y660 HydrophobicContact CD2-CE2 4.31Å; L615-Y660 HydrophobicContact CD2-CG 4.38Å; L615-L663 HydrophobicContact CD2-CD2 4.1Å
616	K	95.9	Very high	94.4	Very high	24 Å²	24	36.4 Å²	36.4	10%	0.104	22%	0.219	C	C	.	.	H	α-helix	trans	-57.8	-46.4	173.3	-166	-79.6	-179.7	-167.8	0	111	N562 L565 P611 H612 Q619 D620	N562-K616 WeakPolarHBondContact ND2-CD 3.41Å; N562-K616 PolarHBondContact ND2-NZ 3.16Å; N562-K616 PolarHBondContact O-NZ 3.17Å; L565-K616 PolarHBondContact O-NZ 3.31Å; P611-K616 HydrophobicContact CG-CG 4.22Å; H612-K616 WeakPolarHBondContact O-CB 3.47Å; H612-K616 PolarHBondContact O-N 3.48Å; K616-Q619 PolarHBondContact O-N 2.99Å; K616-D620 IonicContact NZ-OD1 2.87Å; K616-D620 IonicContact NZ-OD2 3.48Å; K616-D620 PolarHBondContact NZ-OD2 3.41Å; K616-D620 PolarHBondContact O-N 2.69Å; K616-D620 VanDerWaalsContact O-N 3.09Å
617	F	97.1	Very high	94.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-45.8	177.5	-166.7	-78.5	0	0	0	112.4	L559 N562 I573 M574 L577 F586 L590 S613 V614 L615 D620 V621	L559-F617 HydrophobicContact CD2-CB 3.57Å; L559-F617 HydrophobicContact CD2-CD1 4.45Å; L559-F617 HydrophobicContact CD2-CD2 3.76Å; L559-F617 HydrophobicContact CD2-CG 3.68Å; N562-F617 HydrophobicContact CB-CD2 3.5Å; N562-F617 HydrophobicContact CB-CE2 3.96Å; N562-F617 VanDerWaalsContact CG-CD2 3.49Å; N562-F617 WeakPolarHBondContact ND2-CA 3.23Å; I573-F617 HydrophobicContact CG2-CE2 3.99Å; I573-F617 HydrophobicContact CG2-CZ 4.08Å; M574-F617 HydrophobicContact CE-CD1 4.39Å; M574-F617 HydrophobicContact CE-CD2 4.33Å; M574-F617 HydrophobicContact CE-CE1 4.07Å; M574-F617 HydrophobicContact CE-CE2 4.03Å; M574-F617 HydrophobicContact CE-CG 4.49Å; M574-F617 HydrophobicContact CE-CZ 3.88Å; L577-F617 HydrophobicContact CD1-CE1 4.03Å; L577-F617 HydrophobicContact CD1-CZ 3.89Å; F586-F617 AromaticContact CE1-CE1 3.69Å; F586-F617 HydrophobicContact CE1-CE1 3.69Å; F586-F617 AromaticContact CE1-CZ 3.75Å; F586-F617 HydrophobicContact CE1-CZ 3.75Å; F586-F617 AromaticContact CZ-CE1 3.7Å; F586-F617 HydrophobicContact CZ-CE1 3.7Å; F586-F617 HydrophobicContact CZ-CE2 4.25Å; F586-F617 AromaticContact CZ-CZ 3.46Å; F586-F617 HydrophobicContact CZ-CZ 3.46Å; F586-F617 VanDerWaalsContact CZ-CZ 3.46Å; L590-F617 HydrophobicContact CD1-CD1 3.96Å; L590-F617 HydrophobicContact CD1-CE1 3.85Å; L590-F617 HydrophobicContact CD2-CD1 4.42Å; S613-F617 VanDerWaalsContact O-CB 3.26Å; S613-F617 WeakPolarHBondContact O-CB 3.44Å; S613-F617 PolarHBondContact O-N 3.36Å; V614-F617 PolarHBondContact O-N 2.71Å; L615-F617 VanDerWaalsContact C-N 3.35Å; L615-F617 PolarHBondContact O-N 3.44Å; F617-D620 PolarHBondContact O-N 3.42Å; F617-V621 HydrophobicContact CD1-CG2 3.69Å; F617-V621 HydrophobicContact CE1-CG2 3.49Å; F617-V621 VanDerWaalsContact CE1-CG2 3.49Å; F617-V621 WeakPolarHBondContact O-CG2 3.25Å; F617-V621 PolarHBondContact O-N 3.43Å
618	L	96.9	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-38.6	178.2	-68.2	169.5	0	0	0	111.8	L590 L594 V614 L615 D620 V621 F622 F631 L639 L663	L590-L618 HydrophobicContact CD1-CD2 4.32Å; L594-L618 HydrophobicContact CB-CD1 4.38Å; L594-L618 HydrophobicContact CD1-CD1 3.77Å; L594-L618 HydrophobicContact CD2-CD1 3.85Å; L594-L618 HydrophobicContact CG-CD1 4.21Å; V614-L618 HydrophobicContact CG1-CD1 3.98Å; V614-L618 HydrophobicContact CG1-CG 4.48Å; V614-L618 VanDerWaalsContact O-CG 3.29Å; V614-L618 WeakPolarHBondContact O-CG 3.16Å; V614-L618 PolarHBondContact O-N 3.26Å; L615-L618 PolarHBondContact O-N 3.18Å; L618-D620 VanDerWaalsContact C-N 3.32Å; L618-D620 PolarHBondContact O-N 3.2Å; L618-V621 PolarHBondContact O-N 3.27Å; L618-F622 HydrophobicContact CD2-CE2 4.49Å; L618-F622 WeakPolarHBondContact O-CD2 3.48Å; L618-F622 PolarHBondContact O-N 2.68Å; L618-F631 HydrophobicContact CD2-CE2 3.99Å; L618-F631 HydrophobicContact CD2-CZ 3.6Å; L618-L639 HydrophobicContact CD1-CD1 4.24Å; L618-L639 HydrophobicContact CD2-CD1 4.4Å; L618-L663 HydrophobicContact CB-CD1 3.58Å; L618-L663 HydrophobicContact CB-CD2 4.2Å; L618-L663 HydrophobicContact CD1-CD2 4.05Å
619	Q	95.8	Very high	94.5	Very high	54 Å²	54	28.7 Å²	28.7	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-58.6	-41.9	173.3	-72.8	166.3	15.3	0	0	111.8	L615 K616 F622 G623 E659 L663	L615-Q619 WeakPolarHBondContact O-CB 3.28Å; L615-Q619 VanDerWaalsContact O-CG 3.25Å; L615-Q619 WeakPolarHBondContact O-CG 3.34Å; L615-Q619 PolarHBondContact O-N 3.27Å; K616-Q619 PolarHBondContact O-N 2.99Å; Q619-F622 CarbonylContact O-C 3.49Å; Q619-F622 PolarHBondContact O-N 3.15Å; Q619-G623 PolarHBondContact O-N 2.9Å; Q619-E659 PolarHBondContact NE2-O 2.98Å; Q619-L663 HydrophobicContact CG-CB 4.17Å
620	D	96	Very high	94.6	Very high	17 Å²	17	24.6 Å²	24.6	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-42.2	173.7	-70.1	-35.1	0	0	0	112.4	N562 M574 K616 F617 L618 F622 G623	N562-D620 PolarHBondContact ND2-OD2 3.44Å; N562-D620 PolarHBondContact OD1-OD2 2.73Å; M574-D620 HydrophobicContact CE-CB 3.6Å; M574-D620 HydrophobicContact CG-CB 4.17Å; M574-D620 HydrophobicContact SD-CB 3.96Å; K616-D620 IonicContact NZ-OD1 2.87Å; K616-D620 IonicContact NZ-OD2 3.48Å; K616-D620 PolarHBondContact NZ-OD2 3.41Å; K616-D620 PolarHBondContact O-N 2.69Å; K616-D620 VanDerWaalsContact O-N 3.09Å; F617-D620 PolarHBondContact O-N 3.42Å; L618-D620 VanDerWaalsContact C-N 3.32Å; L618-D620 PolarHBondContact O-N 3.2Å; D620-F622 VanDerWaalsContact C-N 3.3Å; D620-F622 PolarHBondContact O-N 2.96Å; D620-G623 WeakPolarHBondContact O-CA 3.35Å; D620-G623 PolarHBondContact O-N 2.92Å
621	V	95.5	Very high	94.6	Very high	0 Å²	0	24 Å²	24	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.3	-42.1	176.5	169.4	0	0	0	0	111	M574 L577 F617 L618 G623 T627 A628 I630 F631	M574-V621 HydrophobicContact CE-CG2 3.97Å; M574-V621 HydrophobicContact SD-CG2 3.86Å; L577-V621 HydrophobicContact CD1-CG2 3.99Å; F617-V621 HydrophobicContact CD1-CG2 3.69Å; F617-V621 HydrophobicContact CE1-CG2 3.49Å; F617-V621 VanDerWaalsContact CE1-CG2 3.49Å; F617-V621 WeakPolarHBondContact O-CG2 3.25Å; F617-V621 PolarHBondContact O-N 3.43Å; L618-V621 PolarHBondContact O-N 3.27Å; V621-G623 PolarHBondContact O-N 3.09Å; V621-T627 WeakPolarHBondContact CG1-O 3.29Å; V621-T627 CarbonylContact O-C 3.45Å; V621-T627 WeakPolarHBondContact O-CB 3.29Å; V621-T627 PolarHBondContact O-OG1 2.92Å; V621-A628 PolarHBondContact O-N 2.99Å; V621-A628 VanDerWaalsContact O-N 3.15Å; V621-I630 HydrophobicContact CG1-CD1 3.79Å; V621-I630 HydrophobicContact CG1-CG1 4.16Å; V621-I630 HydrophobicContact CG2-CD1 4.23Å; V621-F631 HydrophobicContact CG1-CD2 4.36Å; V621-F631 HydrophobicContact CG1-CE2 3.9Å
622	F	95.8	Very high	94.6	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	9.6	173.4	-66	-69	0	0	0	113.8	L618 Q619 D620 S624 A628 F631 M636 L639 L663 A666 V667 T670 T671	L618-F622 HydrophobicContact CD2-CE2 4.49Å; L618-F622 WeakPolarHBondContact O-CD2 3.48Å; L618-F622 PolarHBondContact O-N 2.68Å; Q619-F622 CarbonylContact O-C 3.49Å; Q619-F622 PolarHBondContact O-N 3.15Å; D620-F622 VanDerWaalsContact C-N 3.3Å; D620-F622 PolarHBondContact O-N 2.96Å; F622-S624 VanDerWaalsContact C-N 3.34Å; F622-A628 HydrophobicContact CD1-CB 3.6Å; F622-A628 HydrophobicContact CE1-CB 3.74Å; F622-F631 HydrophobicContact CE1-CD2 4.25Å; F622-F631 HydrophobicContact CE2-CD2 4.14Å; F622-F631 AromaticContact CE2-CE2 3.8Å; F622-F631 HydrophobicContact CE2-CE2 3.8Å; F622-F631 AromaticContact CZ-CD2 3.46Å; F622-F631 HydrophobicContact CZ-CD2 3.46Å; F622-F631 VanDerWaalsContact CZ-CD2 3.46Å; F622-F631 AromaticContact CZ-CE2 3.63Å; F622-F631 HydrophobicContact CZ-CE2 3.63Å; F622-F631 HydrophobicContact CZ-CG 4.42Å; F622-M636 HydrophobicContact CE1-CE 3.83Å; F622-M636 HydrophobicContact CE1-SD 3.66Å; F622-M636 HydrophobicContact CZ-CE 3.94Å; F622-M636 HydrophobicContact CZ-SD 3.62Å; F622-L639 HydrophobicContact CD2-CD2 4.44Å; F622-L639 HydrophobicContact CE1-CD2 4.43Å; F622-L639 HydrophobicContact CE2-CD2 3.36Å; F622-L639 HydrophobicContact CZ-CD2 3.36Å; F622-L663 HydrophobicContact CD2-CD1 3.76Å; F622-L663 HydrophobicContact CE2-CD1 4.32Å; F622-A666 HydrophobicContact CB-CB 3.65Å; F622-V667 HydrophobicContact CB-CG2 4.48Å; F622-V667 HydrophobicContact CD1-CG2 3.93Å; F622-V667 HydrophobicContact CD2-CG2 3.63Å; F622-V667 HydrophobicContact CE1-CG2 4.09Å; F622-V667 HydrophobicContact CE2-CG2 3.83Å; F622-V667 HydrophobicContact CG-CG2 3.72Å; F622-V667 HydrophobicContact CZ-CG2 4.06Å; F622-T670 VanDerWaalsContact O-CB 3.23Å; F622-T670 WeakPolarHBondContact O-CB 3.49Å; F622-T670 WeakPolarHBondContact O-CG2 3.31Å; F622-T670 PolarHBondContact O-OG1 2.96Å; F622-T671 HydrophobicContact CD1-CG2 3.79Å; F622-T671 HydrophobicContact CE1-CG2 3.66Å
623	G	93.4	Very high	94.4	Very high	40 Å²	40	32 Å²	32	41%	0.412	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-23.8	168.3	0	0	0	0	0	113.4	Q619 D620 V621	Q619-G623 PolarHBondContact O-N 2.9Å; D620-G623 WeakPolarHBondContact O-CA 3.35Å; D620-G623 PolarHBondContact O-N 2.92Å; V621-G623 PolarHBondContact O-N 3.09Å
624	S	93.5	Very high	94.2	Very high	42 Å²	42	37.1 Å²	37.1	29%	0.294	23%	0.225	S	C	.	.	S	Bend	trans	-140.1	139.2	-179.7	178.3	0	0	0	0	112.6	F622 A626 T627 A628 T670	F622-S624 VanDerWaalsContact C-N 3.34Å; S624-A626 PolarHBondContact O-N 2.92Å; S624-A626 PolarHBondContact OG-N 3.36Å; S624-T627 PolarHBondContact O-N 3.32Å; S624-T627 VanDerWaalsContact O-N 3.16Å; S624-T627 PolarHBondContact O-OG1 3.16Å; S624-A628 PolarHBondContact O-N 3.17Å; S624-T670 WeakPolarHBondContact O-CG2 3.5Å
625	P	92.7	Very high	94.1	Very high	88 Å²	88	38.2 Å²	38.2	57%	0.571	23%	0.23	S	C	*	.	H	α-helix	trans	-60.2	-27.1	176.5	-25.1	34.4	0	0	0	113.4	A629 T670	P625-A629 PolarHBondContact O-N 2.9Å; P625-T670 HydrophobicContact CB-CG2 4.34Å; P625-T670 HydrophobicContact CG-CG2 4.04Å
626	A	91.9	Very high	94	Very high	57 Å²	57	38.9 Å²	38.9	47%	0.471	23%	0.234	S	C	.	.	H	α-helix	trans	-69.6	-32.3	179.1	0	0	0	0	0	112.8	S624	S624-A626 PolarHBondContact O-N 2.92Å; S624-A626 PolarHBondContact OG-N 3.36Å
627	T	92.9	Very high	93.9	Very high	4 Å²	4	39 Å²	39	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-88.9	-34.3	175.5	41.8	0	0	0	0	112.1	M574 L577 V621 S624 A629 I630	M574-T627 HydrophobicContact CB-CG2 3.95Å; M574-T627 WeakPolarHBondContact O-CG2 3.08Å; M574-T627 HydrophobicContact SD-CG2 4.1Å; L577-T627 HydrophobicContact CB-CG2 4.1Å; V621-T627 WeakPolarHBondContact CG1-O 3.29Å; V621-T627 CarbonylContact O-C 3.45Å; V621-T627 WeakPolarHBondContact O-CB 3.29Å; V621-T627 PolarHBondContact O-OG1 2.92Å; S624-T627 PolarHBondContact O-N 3.32Å; S624-T627 VanDerWaalsContact O-N 3.16Å; S624-T627 PolarHBondContact O-OG1 3.16Å; T627-A629 PolarHBondContact O-N 3.47Å; T627-A629 VanDerWaalsContact O-N 3.17Å; T627-I630 VanDerWaalsContact O-CG1 3.3Å; T627-I630 WeakPolarHBondContact O-CG1 3.36Å; T627-I630 WeakPolarHBondContact O-CG2 3.34Å; T627-I630 PolarHBondContact O-N 3.34Å
628	A	93.3	Very high	93.9	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-24.8	173.9	0	0	0	0	0	113.2	V621 F622 S624 I630 F631 T670 T671	V621-A628 PolarHBondContact O-N 2.99Å; V621-A628 VanDerWaalsContact O-N 3.15Å; F622-A628 HydrophobicContact CD1-CB 3.6Å; F622-A628 HydrophobicContact CE1-CB 3.74Å; S624-A628 PolarHBondContact O-N 3.17Å; A628-I630 PolarHBondContact O-N 3.29Å; A628-I630 VanDerWaalsContact O-N 3.1Å; A628-F631 PolarHBondContact O-N 3.37Å; A628-T670 HydrophobicContact CB-CG2 3.66Å; A628-T671 HydrophobicContact CB-CG2 4.28Å
629	A	91.6	Very high	93.9	Very high	77 Å²	77	40.8 Å²	40.8	64%	0.636	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-7.7	177.3	0	0	0	0	0	115.2	P625 T627 F631	P625-A629 PolarHBondContact O-N 2.9Å; T627-A629 PolarHBondContact O-N 3.47Å; T627-A629 VanDerWaalsContact O-N 3.17Å; A629-F631 VanDerWaalsContact C-N 3.25Å; A629-F631 PolarHBondContact O-N 3.13Å
630	I	92.2	Very high	94	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.067	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.9	174.7	70.4	-179.2	0	0	0	113.4	L577 V583 V621 T627 A628	L577-I630 HydrophobicContact CB-CG2 4.47Å; L577-I630 HydrophobicContact CD1-CD1 4.34Å; L577-I630 HydrophobicContact CD2-CD1 4.4Å; V583-I630 HydrophobicContact CG2-CB 3.62Å; V583-I630 HydrophobicContact CG2-CG2 3.43Å; V583-I630 VanDerWaalsContact CG2-CG2 3.43Å; V621-I630 HydrophobicContact CG1-CD1 3.79Å; V621-I630 HydrophobicContact CG1-CG1 4.16Å; V621-I630 HydrophobicContact CG2-CD1 4.23Å; T627-I630 VanDerWaalsContact O-CG1 3.3Å; T627-I630 WeakPolarHBondContact O-CG1 3.36Å; T627-I630 WeakPolarHBondContact O-CG2 3.34Å; T627-I630 PolarHBondContact O-N 3.34Å; A628-I630 PolarHBondContact O-N 3.29Å; A628-I630 VanDerWaalsContact O-N 3.1Å
631	F	93.1	Very high	94	Very high	12 Å²	12	39.9 Å²	39.9	5%	0.053	25%	0.246	C	C	.	.	S	Bend	trans	-91	124.3	178.1	-70.6	-74.3	0	0	0	110.5	L591 L618 V621 F622 A628 A629 D635 M636	L591-F631 HydrophobicContact CD2-CE1 4.2Å; L591-F631 HydrophobicContact CG-CE1 4.12Å; L618-F631 HydrophobicContact CD2-CE2 3.99Å; L618-F631 HydrophobicContact CD2-CZ 3.6Å; V621-F631 HydrophobicContact CG1-CD2 4.36Å; V621-F631 HydrophobicContact CG1-CE2 3.9Å; F622-F631 HydrophobicContact CE1-CD2 4.25Å; F622-F631 HydrophobicContact CE2-CD2 4.14Å; F622-F631 AromaticContact CE2-CE2 3.8Å; F622-F631 HydrophobicContact CE2-CE2 3.8Å; F622-F631 AromaticContact CZ-CD2 3.46Å; F622-F631 HydrophobicContact CZ-CD2 3.46Å; F622-F631 VanDerWaalsContact CZ-CD2 3.46Å; F622-F631 AromaticContact CZ-CE2 3.63Å; F622-F631 HydrophobicContact CZ-CE2 3.63Å; F622-F631 HydrophobicContact CZ-CG 4.42Å; A628-F631 PolarHBondContact O-N 3.37Å; A629-F631 VanDerWaalsContact C-N 3.25Å; A629-F631 PolarHBondContact O-N 3.13Å; F631-D635 HydrophobicContact CB-CB 4.34Å; F631-D635 HydrophobicContact CD1-CB 4.02Å; F631-M636 HydrophobicContact CB-CG 3.72Å; F631-M636 HydrophobicContact CB-SD 3.5Å; F631-M636 VanDerWaalsContact CB-SD 3.5Å; F631-M636 HydrophobicContact CD2-SD 4.2Å; F631-M636 HydrophobicContact CG-SD 4.03Å
632	Y	91.6	Very high	94.1	Very high	107 Å²	107	40.7 Å²	40.7	42%	0.42	25%	0.251	S	S	.	.			trans	-70.2	166	171.7	-64.5	-88.3	0	0	0	110.7	K584 T634 D635 M636	K584-Y632 HydrophobicContact CB-CE2 4.29Å; K584-Y632 HydrophobicContact CD-CE2 4.45Å; K584-Y632 HydrophobicContact CG-CE2 4.19Å; Y632-T634 VanDerWaalsContact C-N 3.29Å; Y632-T634 PolarHBondContact O-N 2.75Å; Y632-D635 WeakPolarHBondContact CB-OD2 3.24Å; Y632-D635 WeakPolarHBondContact CD2-OD2 3.26Å; Y632-D635 PolarHBondContact N-OD2 3.47Å; Y632-D635 WeakPolarHBondContact O-CB 3.39Å; Y632-D635 PolarHBondContact O-N 2.87Å; Y632-M636 PolarHBondContact O-N 3.22Å
633	H	91.8	Very high	94.2	Very high	128 Å²	128	40.7 Å²	40.7	59%	0.593	25%	0.251	S	S	*	.	H	α-helix	trans	-55.6	-42.2	-177.3	-176.5	62	0	0	0	113	M636 M637	H633-M636 PolarHBondContact O-N 2.73Å; H633-M637 WeakPolarHBondContact O-CE 3.44Å; H633-M637 WeakPolarHBondContact O-CG 3.47Å; H633-M637 PolarHBondContact O-N 2.91Å; H633-M637 VanDerWaalsContact O-N 3.13Å
634	T	93.6	Very high	94.4	Very high	109 Å²	109	38.8 Å²	38.8	67%	0.669	23%	0.231	S	C	*	.	H	α-helix	trans	-63	-43.8	176.2	-49	0	0	0	0	111.9	Y632 M636 M637 A638	Y632-T634 VanDerWaalsContact C-N 3.29Å; Y632-T634 PolarHBondContact O-N 2.75Å; T634-M636 VanDerWaalsContact C-N 3.33Å; T634-M636 PolarHBondContact O-N 2.87Å; T634-M637 PolarHBondContact O-N 3.48Å; T634-M637 VanDerWaalsContact O-N 3.11Å; T634-A638 PolarHBondContact O-N 3.13Å
635	D	94.4	Very high	94.5	Very high	22 Å²	22	40.6 Å²	40.6	12%	0.118	23%	0.231	C	C	.	.	H	α-helix	trans	-66.1	-38.3	-178.7	-51.8	-24.4	0	0	0	110.8	L591 F631 Y632 A638 L639	L591-D635 HydrophobicContact CD1-CB 3.77Å; F631-D635 HydrophobicContact CB-CB 4.34Å; F631-D635 HydrophobicContact CD1-CB 4.02Å; Y632-D635 WeakPolarHBondContact CB-OD2 3.24Å; Y632-D635 WeakPolarHBondContact CD2-OD2 3.26Å; Y632-D635 PolarHBondContact N-OD2 3.47Å; Y632-D635 WeakPolarHBondContact O-CB 3.39Å; Y632-D635 PolarHBondContact O-N 2.87Å; D635-A638 PolarHBondContact O-N 3.09Å; D635-L639 WeakPolarHBondContact O-CB 3.32Å; D635-L639 PolarHBondContact O-N 3.41Å
636	M	94.3	Very high	94.6	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.069	21%	0.209	C	C	.	.	H	α-helix	trans	-61.6	-39.6	171	-77	-56.3	-46.2	0	0	112.6	F622 F631 Y632 H633 T634 L639 I640 V667 T671	F622-M636 HydrophobicContact CE1-CE 3.83Å; F622-M636 HydrophobicContact CE1-SD 3.66Å; F622-M636 HydrophobicContact CZ-CE 3.94Å; F622-M636 HydrophobicContact CZ-SD 3.62Å; F631-M636 HydrophobicContact CB-CG 3.72Å; F631-M636 HydrophobicContact CB-SD 3.5Å; F631-M636 VanDerWaalsContact CB-SD 3.5Å; F631-M636 HydrophobicContact CD2-SD 4.2Å; F631-M636 HydrophobicContact CG-SD 4.03Å; Y632-M636 PolarHBondContact O-N 3.22Å; H633-M636 PolarHBondContact O-N 2.73Å; T634-M636 VanDerWaalsContact C-N 3.33Å; T634-M636 PolarHBondContact O-N 2.87Å; M636-L639 HydrophobicContact CE-CD2 3.9Å; M636-L639 HydrophobicContact SD-CD2 4.21Å; M636-I640 HydrophobicContact CE-CD1 4.44Å; M636-I640 VanDerWaalsContact O-CD1 3.32Å; M636-I640 WeakPolarHBondContact O-CD1 3.33Å; M636-I640 VanDerWaalsContact O-CG1 3.24Å; M636-I640 WeakPolarHBondContact O-CG1 3.18Å; M636-I640 PolarHBondContact O-N 3.24Å; M636-I640 VanDerWaalsContact O-N 3.09Å; M636-V667 HydrophobicContact CE-CG1 3.79Å; M636-T671 HydrophobicContact CE-CG2 3.84Å; M636-T671 HydrophobicContact SD-CG2 4.39Å
637	M	95.1	Very high	94.8	Very high	28 Å²	28	34.7 Å²	34.7	14%	0.138	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-45.3	176.4	-60.9	-45.7	95.5	0	0	110.2	H633 T634 L639 I640 D641 H676 H678	H633-M637 WeakPolarHBondContact O-CE 3.44Å; H633-M637 WeakPolarHBondContact O-CG 3.47Å; H633-M637 PolarHBondContact O-N 2.91Å; H633-M637 VanDerWaalsContact O-N 3.13Å; T634-M637 PolarHBondContact O-N 3.48Å; T634-M637 VanDerWaalsContact O-N 3.11Å; M637-L639 PolarHBondContact O-N 3.25Å; M637-I640 HydrophobicContact CE-CD1 4.42Å; M637-I640 PolarHBondContact O-N 3.48Å; M637-D641 PolarHBondContact O-N 2.82Å; M637-D641 VanDerWaalsContact O-OD2 3.11Å; M637-H676 WeakPolarHBondContact CE-CE1 3.48Å; M637-H678 HydrophobicContact SD-CB 3.5Å; M637-H678 VanDerWaalsContact SD-CB 3.5Å; M637-H678 VanDerWaalsContact SD-CG 3.59Å
638	A	96.7	Very high	94.9	Very high	37 Å²	37	35.9 Å²	35.9	31%	0.306	20%	0.196	S	C	.	.	H	α-helix	trans	-60.9	-43.2	176.4	0	0	0	0	0	112.3	L591 T634 D635 I640 D641 I642	L591-A638 HydrophobicContact CD1-CB 4.33Å; T634-A638 PolarHBondContact O-N 3.13Å; D635-A638 PolarHBondContact O-N 3.09Å; A638-I640 VanDerWaalsContact C-N 3.32Å; A638-I640 PolarHBondContact O-N 3.03Å; A638-D641 PolarHBondContact O-N 2.81Å; A638-I642 WeakPolarHBondContact O-CB 3.46Å; A638-I642 WeakPolarHBondContact O-CD1 3.32Å; A638-I642 WeakPolarHBondContact O-CG1 3.47Å; A638-I642 PolarHBondContact O-N 2.97Å
639	L	97.3	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.6	-47.1	174.1	-173.4	82.3	0	0	0	111.6	L591 L594 L618 F622 D635 M636 M637 I642 T643 V667	L591-L639 HydrophobicContact CD2-CB 3.8Å; L591-L639 HydrophobicContact CD2-CD1 3.56Å; L591-L639 HydrophobicContact CD2-CG 4.31Å; L594-L639 HydrophobicContact CD2-CD1 3.49Å; L594-L639 VanDerWaalsContact CD2-CD1 3.49Å; L594-L639 HydrophobicContact CD2-CG 4.43Å; L618-L639 HydrophobicContact CD1-CD1 4.24Å; L618-L639 HydrophobicContact CD2-CD1 4.4Å; F622-L639 HydrophobicContact CD2-CD2 4.44Å; F622-L639 HydrophobicContact CE1-CD2 4.43Å; F622-L639 HydrophobicContact CE2-CD2 3.36Å; F622-L639 HydrophobicContact CZ-CD2 3.36Å; D635-L639 WeakPolarHBondContact O-CB 3.32Å; D635-L639 PolarHBondContact O-N 3.41Å; M636-L639 HydrophobicContact CE-CD2 3.9Å; M636-L639 HydrophobicContact SD-CD2 4.21Å; M637-L639 PolarHBondContact O-N 3.25Å; L639-I642 PolarHBondContact O-N 3.12Å; L639-T643 VanDerWaalsContact O-CB 3.26Å; L639-T643 WeakPolarHBondContact O-CB 3.28Å; L639-T643 PolarHBondContact O-N 2.63Å; L639-T643 PolarHBondContact O-OG1 3.25Å; L639-V667 HydrophobicContact CD2-CG2 3.9Å
640	I	97	Very high	95.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-43.3	178.8	-69	161.7	0	0	0	110.1	M636 M637 A638 I642 T643 V644 M664 V667 Y673 R679	M636-I640 HydrophobicContact CE-CD1 4.44Å; M636-I640 VanDerWaalsContact O-CD1 3.32Å; M636-I640 WeakPolarHBondContact O-CD1 3.33Å; M636-I640 VanDerWaalsContact O-CG1 3.24Å; M636-I640 WeakPolarHBondContact O-CG1 3.18Å; M636-I640 PolarHBondContact O-N 3.24Å; M636-I640 VanDerWaalsContact O-N 3.09Å; M637-I640 HydrophobicContact CE-CD1 4.42Å; M637-I640 PolarHBondContact O-N 3.48Å; A638-I640 VanDerWaalsContact C-N 3.32Å; A638-I640 PolarHBondContact O-N 3.03Å; I640-I642 VanDerWaalsContact C-N 3.34Å; I640-I642 PolarHBondContact O-N 3.46Å; I640-T643 PolarHBondContact O-N 2.79Å; I640-V644 HydrophobicContact CG2-CG2 4.05Å; I640-V644 VanDerWaalsContact O-CB 3.3Å; I640-V644 WeakPolarHBondContact O-CB 3.43Å; I640-V644 VanDerWaalsContact O-CG2 3.25Å; I640-V644 WeakPolarHBondContact O-CG2 3.47Å; I640-V644 PolarHBondContact O-N 3.08Å; I640-M664 HydrophobicContact CG1-CE 4.45Å; I640-V667 HydrophobicContact CD1-CG1 4.42Å; I640-V667 HydrophobicContact CG1-CG1 4.22Å; I640-Y673 HydrophobicContact CD1-CD2 3.75Å; I640-Y673 HydrophobicContact CD1-CE2 3.91Å; I640-Y673 HydrophobicContact CG2-CE2 4.21Å; I640-R679 HydrophobicContact CG2-CB 4.16Å; I640-R679 HydrophobicContact CG2-CG 4.29Å
641	D	97.4	Very high	95.1	Very high	50 Å²	50	41.6 Å²	41.6	27%	0.267	22%	0.222	S	C	.	.	H	α-helix	trans	-59	-44.4	176.7	-77.7	-47.6	0	0	0	112.3	M637 A638 R645 H678 R679	M637-D641 PolarHBondContact O-N 2.82Å; M637-D641 VanDerWaalsContact O-OD2 3.11Å; A638-D641 PolarHBondContact O-N 2.81Å; D641-R645 WeakPolarHBondContact O-CB 3.23Å; D641-R645 PolarHBondContact O-N 3Å; D641-R645 VanDerWaalsContact O-N 3.07Å; D641-H678 IonicContact OD1-CE1 2.8Å; D641-H678 IonicContact OD1-NE2 3.37Å; D641-H678 PolarHBondContact OD1-NE2 3.24Å; D641-H678 IonicContact OD2-CD2 3.32Å; D641-H678 IonicContact OD2-CE1 2.71Å; D641-H678 IonicContact OD2-NE2 3.21Å; D641-H678 PolarHBondContact OD2-NE2 3.48Å; D641-R679 WeakPolarHBondContact OD1-CD 3.4Å; D641-R679 WeakPolarHBondContact OD1-CG 3.33Å; D641-R679 IonicContact OD1-CZ 3.09Å; D641-R679 IonicContact OD1-NE 2.73Å; D641-R679 IonicContact OD1-NH1 3.78Å; D641-R679 PolarHBondContact OD1-NH1 2.72Å
642	I	97.3	Very high	95	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.087	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-45	176.6	-64.7	159.1	0	0	0	110.8	L591 L594 N595 A638 L639 I640 R645 H646	L591-I642 HydrophobicContact CD2-CD1 4.4Å; L594-I642 HydrophobicContact CB-CG2 4.47Å; L594-I642 HydrophobicContact CD2-CB 4.38Å; L594-I642 HydrophobicContact CD2-CG2 3.89Å; L594-I642 HydrophobicContact CG-CG2 3.77Å; N595-I642 HydrophobicContact CB-CD1 3.86Å; N595-I642 HydrophobicContact CB-CG1 4.21Å; N595-I642 HydrophobicContact CB-CG2 4.46Å; A638-I642 WeakPolarHBondContact O-CB 3.46Å; A638-I642 WeakPolarHBondContact O-CD1 3.32Å; A638-I642 WeakPolarHBondContact O-CG1 3.47Å; A638-I642 PolarHBondContact O-N 2.97Å; L639-I642 PolarHBondContact O-N 3.12Å; I640-I642 VanDerWaalsContact C-N 3.34Å; I640-I642 PolarHBondContact O-N 3.46Å; I642-R645 PolarHBondContact O-N 3.45Å; I642-H646 WeakPolarHBondContact CG2-ND1 3.28Å; I642-H646 PolarHBondContact O-N 3.31Å; I642-H646 PolarHBondContact O-ND1 3.28Å
643	T	97.3	Very high	94.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-49	-177.8	-59.5	0	0	0	0	111.3	L639 I640 R645 H646 I647 Y660 M664	L639-T643 VanDerWaalsContact O-CB 3.26Å; L639-T643 WeakPolarHBondContact O-CB 3.28Å; L639-T643 PolarHBondContact O-N 2.63Å; L639-T643 PolarHBondContact O-OG1 3.25Å; I640-T643 PolarHBondContact O-N 2.79Å; T643-R645 VanDerWaalsContact C-N 3.3Å; T643-R645 PolarHBondContact O-N 2.65Å; T643-H646 PolarHBondContact O-N 3.33Å; T643-I647 HydrophobicContact CG2-CD1 3.88Å; T643-I647 VanDerWaalsContact O-CG1 3.28Å; T643-I647 WeakPolarHBondContact O-CG1 3.4Å; T643-I647 PolarHBondContact O-N 2.92Å; T643-Y660 HydrophobicContact CG2-CD1 4.32Å; T643-M664 HydrophobicContact CG2-CB 3.99Å; T643-M664 HydrophobicContact CG2-SD 4.12Å
644	V	97	Very high	94.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-39.7	177.1	172.9	0	0	0	0	110.9	I640 A648 M664 R679 D682 L683 I686	I640-V644 HydrophobicContact CG2-CG2 4.05Å; I640-V644 VanDerWaalsContact O-CB 3.3Å; I640-V644 WeakPolarHBondContact O-CB 3.43Å; I640-V644 VanDerWaalsContact O-CG2 3.25Å; I640-V644 WeakPolarHBondContact O-CG2 3.47Å; I640-V644 PolarHBondContact O-N 3.08Å; V644-A648 WeakPolarHBondContact O-CB 3.31Å; V644-A648 PolarHBondContact O-N 3.4Å; V644-M664 HydrophobicContact CG2-SD 4.38Å; V644-R679 HydrophobicContact CG1-CB 4.44Å; V644-R679 HydrophobicContact CG2-CB 4.21Å; V644-D682 HydrophobicContact CG1-CB 4.07Å; V644-L683 HydrophobicContact CG2-CB 4.38Å; V644-L683 HydrophobicContact CG2-CD1 4.47Å; V644-I686 HydrophobicContact CG1-CD1 3.62Å
645	R	96.4	Very high	94.5	Very high	80 Å²	80	37.2 Å²	37.2	30%	0.302	21%	0.209	S	C	.	.	H	α-helix	trans	-59.4	-52.8	173.6	179.2	178.5	63.8	66.8	-6.6	111.5	N595 D641 I642 T643 I647 A648 D649	N595-R645 PolarHBondContact O-NH2 3.42Å; N595-R645 PolarHBondContact OD1-NH2 3.14Å; D641-R645 WeakPolarHBondContact O-CB 3.23Å; D641-R645 PolarHBondContact O-N 3Å; D641-R645 VanDerWaalsContact O-N 3.07Å; I642-R645 PolarHBondContact O-N 3.45Å; T643-R645 VanDerWaalsContact C-N 3.3Å; T643-R645 PolarHBondContact O-N 2.65Å; R645-I647 PolarHBondContact O-N 3.28Å; R645-A648 WeakPolarHBondContact O-CA 3.3Å; R645-A648 WeakPolarHBondContact O-CB 3.44Å; R645-A648 PolarHBondContact O-N 2.95Å; R645-D649 WeakPolarHBondContact CG-OD2 3.4Å; R645-D649 IonicContact NH1-OD2 3.54Å; R645-D649 WeakPolarHBondContact O-CB 3.38Å; R645-D649 VanDerWaalsContact O-CG 3.23Å; R645-D649 PolarHBondContact O-N 3.28Å
646	H	95.6	Very high	94.5	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.102	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-39	-179.5	-71.9	117.8	0	0	0	113.2	L594 I642 T643 A648 D649 L650 Y660	L594-H646 PolarHBondContact O-CE1 3.04Å; L594-H646 VanDerWaalsContact O-CE1 3.25Å; I642-H646 WeakPolarHBondContact CG2-ND1 3.28Å; I642-H646 PolarHBondContact O-N 3.31Å; I642-H646 PolarHBondContact O-ND1 3.28Å; T643-H646 PolarHBondContact O-N 3.33Å; H646-A648 VanDerWaalsContact C-N 3.25Å; H646-A648 PolarHBondContact O-N 3Å; H646-D649 PolarHBondContact O-N 3.24Å; H646-L650 VanDerWaalsContact O-CB 3.29Å; H646-L650 WeakPolarHBondContact O-CB 3.46Å; H646-L650 WeakPolarHBondContact O-CG 3.41Å; H646-L650 PolarHBondContact O-N 2.92Å; H646-Y660 HydrophobicContact CB-CD1 3.91Å; H646-Y660 HydrophobicContact CB-CD2 4.04Å; H646-Y660 HydrophobicContact CB-CE1 3.68Å; H646-Y660 HydrophobicContact CB-CE2 3.85Å; H646-Y660 HydrophobicContact CB-CG 4.08Å; H646-Y660 AromaticContact CG-CE1 3.83Å; H646-Y660 AromaticContact CG-CZ 3.64Å; H646-Y660 AromaticContact ND1-CE1 3.63Å; H646-Y660 AromaticContact ND1-CZ 3.71Å
647	I	95.7	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-32.5	174.7	-56.4	160.8	0	0	0	111.2	T643 R645 L661 M664 I686 R689 I690	T643-I647 HydrophobicContact CG2-CD1 3.88Å; T643-I647 VanDerWaalsContact O-CG1 3.28Å; T643-I647 WeakPolarHBondContact O-CG1 3.4Å; T643-I647 PolarHBondContact O-N 2.92Å; R645-I647 PolarHBondContact O-N 3.28Å; I647-L661 HydrophobicContact CD1-CD2 4.23Å; I647-L661 HydrophobicContact CG2-CD2 3.76Å; I647-L661 HydrophobicContact CG2-CG 4.22Å; I647-M664 HydrophobicContact CD1-CB 4.1Å; I647-I686 HydrophobicContact CB-CG2 4.33Å; I647-I686 HydrophobicContact CG2-CG2 3.59Å; I647-R689 PolarHBondContact O-NH2 3.39Å; I647-I690 HydrophobicContact CG2-CD1 3.74Å
648	A	95.1	Very high	94.4	Very high	28 Å²	28	38.4 Å²	38.4	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-71.9	-43.8	176.5	0	0	0	0	0	112.9	V644 R645 H646 I686 R689	V644-A648 WeakPolarHBondContact O-CB 3.31Å; V644-A648 PolarHBondContact O-N 3.4Å; R645-A648 WeakPolarHBondContact O-CA 3.3Å; R645-A648 WeakPolarHBondContact O-CB 3.44Å; R645-A648 PolarHBondContact O-N 2.95Å; H646-A648 VanDerWaalsContact C-N 3.25Å; H646-A648 PolarHBondContact O-N 3Å; A648-I686 HydrophobicContact CB-CD1 3.71Å; A648-I686 HydrophobicContact CB-CG1 4.11Å; A648-R689 PolarHBondContact O-NH1 2.92Å; A648-R689 PolarHBondContact O-NH2 2.79Å
649	D	94.3	Very high	94.3	Very high	105 Å²	105	38.3 Å²	38.3	56%	0.561	21%	0.208	S	C	*	.	H	α-helix	trans	-80.8	-31.4	-172.5	-64.6	-17.9	0	0	0	113.3	R645 H646 S651	R645-D649 WeakPolarHBondContact CG-OD2 3.4Å; R645-D649 IonicContact NH1-OD2 3.54Å; R645-D649 WeakPolarHBondContact O-CB 3.38Å; R645-D649 VanDerWaalsContact O-CG 3.23Å; R645-D649 PolarHBondContact O-N 3.28Å; H646-D649 PolarHBondContact O-N 3.24Å; D649-S651 PolarHBondContact O-N 3.05Å
650	L	94.1	Very high	94.3	Very high	30 Å²	30	38.6 Å²	38.6	16%	0.157	21%	0.209	C	C	.	.	S	Bend	trans	-68.1	132.1	-178.1	-74.3	171.9	0	0	0	111.9	H646 L656 R657 Y660	H646-L650 VanDerWaalsContact O-CB 3.29Å; H646-L650 WeakPolarHBondContact O-CB 3.46Å; H646-L650 WeakPolarHBondContact O-CG 3.41Å; H646-L650 PolarHBondContact O-N 2.92Å; L650-L656 HydrophobicContact CD1-CB 4.1Å; L650-R657 HydrophobicContact CB-CB 4.3Å; L650-R657 HydrophobicContact CB-CG 4.32Å; L650-R657 HydrophobicContact CD1-CB 4.18Å; L650-Y660 HydrophobicContact CD1-CD2 3.62Å; L650-Y660 HydrophobicContact CD1-CE2 3.93Å
651	S	91.7	Very high	94.3	Very high	82 Å²	82	38.5 Å²	38.5	57%	0.573	21%	0.209	S	C	*	.	P	Polyproline II helix	trans	-65.6	148.8	178.3	-66	0	0	0	0	111.8	D649 G653 D654	D649-S651 PolarHBondContact O-N 3.05Å; S651-G653 PolarHBondContact O-N 3.45Å; S651-D654 WeakPolarHBondContact O-CB 3.28Å; S651-D654 PolarHBondContact O-N 3.43Å
652	P	91	Very high	94.2	Very high	50 Å²	50	38 Å²	38	33%	0.325	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	136.3	164.2	-28.1	37.5	0	0	0	112.2	E695	P652-E695 VanDerWaalsContact CB-OE1 3.28Å; P652-E695 WeakPolarHBondContact CB-OE1 3.25Å; P652-E695 WeakPolarHBondContact CB-OE2 3.3Å
653	G	86.1	Confident	94.2	Very high	25 Å²	25	37.2 Å²	37.2	26%	0.258	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-10.1	-179.4	0	0	0	0	0	115.4	S651 K655 Q699 C700	S651-G653 PolarHBondContact O-N 3.45Å; G653-K655 PolarHBondContact O-N 3.06Å; G653-Q699 WeakPolarHBondContact O-CG 3.24Å; G653-C700 PolarHBondContact N-SG 2.88Å
654	D	91.9	Very high	94.2	Very high	59 Å²	59	37.2 Å²	37.2	32%	0.316	21%	0.205	S	C	.	.			trans	-66	132.7	175.6	-162	-45.8	0	0	0	111.3	S651 L656 R657	S651-D654 WeakPolarHBondContact O-CB 3.28Å; S651-D654 PolarHBondContact O-N 3.43Å; D654-L656 VanDerWaalsContact C-N 3.29Å; D654-L656 PolarHBondContact O-N 3.35Å; D654-L656 PolarHBondContact OD1-N 3.12Å; D654-R657 PolarHBondContact O-N 3.3Å
655	K	89.8	Confident	94.2	Very high	131 Å²	131	38.1 Å²	38.1	57%	0.57	21%	0.209	S	C	*	.	H	α-helix	trans	-62.9	-34.7	178.2	-64.2	-178.6	-177	177.5	0	112.2	G653 R657 M658	G653-K655 PolarHBondContact O-N 3.06Å; K655-R657 PolarHBondContact O-N 3.34Å; K655-M658 WeakPolarHBondContact O-CG 3.37Å
656	L	93	Very high	94.2	Very high	40 Å²	40	34.9 Å²	34.9	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-23.6	-177.1	-64.3	178.3	0	0	0	112.5	H612 L615 L650 D654 M658 E659 Y660	H612-L656 HydrophobicContact CB-CD2 4.09Å; L615-L656 HydrophobicContact CD1-CD2 4.24Å; L650-L656 HydrophobicContact CD1-CB 4.1Å; D654-L656 VanDerWaalsContact C-N 3.29Å; D654-L656 PolarHBondContact O-N 3.35Å; D654-L656 PolarHBondContact OD1-N 3.12Å; L656-M658 VanDerWaalsContact C-N 3.3Å; L656-M658 PolarHBondContact O-N 3.44Å; L656-E659 WeakPolarHBondContact O-CB 3.49Å; L656-E659 PolarHBondContact O-N 2.84Å; L656-Y660 HydrophobicContact CB-CD2 4.4Å; L656-Y660 HydrophobicContact CB-CE2 4.34Å; L656-Y660 VanDerWaalsContact O-CD2 3.31Å; L656-Y660 WeakPolarHBondContact O-CD2 3.1Å; L656-Y660 PolarHBondContact O-N 2.72Å
657	R	94.4	Very high	94.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-38.9	-177.1	-164.2	168.2	71.2	155.3	6.8	112	L650 D654 K655 E659 Y660 L661 E693 D703	L650-R657 HydrophobicContact CB-CB 4.3Å; L650-R657 HydrophobicContact CB-CG 4.32Å; L650-R657 HydrophobicContact CD1-CB 4.18Å; D654-R657 PolarHBondContact O-N 3.3Å; K655-R657 PolarHBondContact O-N 3.34Å; R657-E659 VanDerWaalsContact C-N 3.31Å; R657-E659 PolarHBondContact O-N 3.4Å; R657-Y660 PolarHBondContact O-N 2.74Å; R657-L661 WeakPolarHBondContact O-CB 3.47Å; R657-L661 VanDerWaalsContact O-CG 3.31Å; R657-L661 WeakPolarHBondContact O-CG 3.15Å; R657-L661 PolarHBondContact O-N 3.07Å; R657-E693 IonicContact CZ-OE1 2.73Å; R657-E693 IonicContact CZ-OE2 3.26Å; R657-E693 VanDerWaalsContact CZ-OE2 3.32Å; R657-E693 VanDerWaalsContact NH1-CD 3.32Å; R657-E693 IonicContact NH1-OE1 2.82Å; R657-E693 PolarHBondContact NH1-OE1 3.31Å; R657-E693 IonicContact NH1-OE2 3.12Å; R657-E693 PolarHBondContact NH1-OE2 3.27Å; R657-E693 IonicContact NH2-OE1 3.28Å; R657-E693 IonicContact NH2-OE2 3.91Å; R657-E693 PolarHBondContact NH2-OE2 3.41Å; R657-D703 IonicContact CZ-OD2 2.79Å; R657-D703 IonicContact NE-OD2 3.83Å; R657-D703 PolarHBondContact NE-OD2 3.02Å; R657-D703 IonicContact NH2-OD2 3.06Å; R657-D703 PolarHBondContact NH2-OD2 3.21Å
658	M	94	Very high	94.2	Very high	49 Å²	49	34.2 Å²	34.2	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-31.8	176.1	86.9	-174.2	74	0	0	112.5	K655 L656 S662 Q699 M702 D703 I706	K655-M658 WeakPolarHBondContact O-CG 3.37Å; L656-M658 VanDerWaalsContact C-N 3.3Å; L656-M658 PolarHBondContact O-N 3.44Å; M658-S662 WeakPolarHBondContact O-CB 3.29Å; M658-S662 PolarHBondContact O-N 2.98Å; M658-S662 PolarHBondContact O-OG 3.4Å; M658-Q699 HydrophobicContact CE-CB 4.45Å; M658-Q699 HydrophobicContact CE-CG 4.14Å; M658-M702 HydrophobicContact SD-CG 4.05Å; M658-D703 WeakPolarHBondContact CA-OD1 3.09Å; M658-D703 WeakPolarHBondContact CB-OD1 3.17Å; M658-D703 PolarHBondContact N-OD1 2.85Å; M658-I706 HydrophobicContact CB-CD1 3.84Å
659	E	94.8	Very high	94.2	Very high	35 Å²	35	39.4 Å²	39.4	16%	0.164	21%	0.211	C	C	.	.	H	α-helix	trans	-72.2	-41	178.1	-63.5	-175.3	-139.4	0	0	111.3	H612 L615 Q619 L656 R657 S662 L663	H612-E659 VanDerWaalsContact CB-OE2 3.29Å; H612-E659 WeakPolarHBondContact CB-OE2 3.44Å; H612-E659 PolarHBondContact N-OE2 3.17Å; L615-E659 HydrophobicContact CB-CB 4.23Å; L615-E659 HydrophobicContact CD1-CB 3.62Å; Q619-E659 PolarHBondContact NE2-O 2.98Å; L656-E659 WeakPolarHBondContact O-CB 3.49Å; L656-E659 PolarHBondContact O-N 2.84Å; R657-E659 VanDerWaalsContact C-N 3.31Å; R657-E659 PolarHBondContact O-N 3.4Å; E659-S662 PolarHBondContact O-N 3.18Å; E659-L663 WeakPolarHBondContact O-CB 3.11Å; E659-L663 PolarHBondContact O-N 2.9Å
660	Y	96.9	Very high	94.3	Very high	5 Å²	5	35.5 Å²	35.5	2%	0.02	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-38.6	172.7	-78	-76.6	0	0	0	112.7	L594 L615 T643 H646 L650 L656 R657 L663 M664	L594-Y660 HydrophobicContact CD1-CE1 3.74Å; L594-Y660 HydrophobicContact CG-CE1 4.48Å; L615-Y660 HydrophobicContact CD1-CD2 4.07Å; L615-Y660 HydrophobicContact CD1-CE2 3.86Å; L615-Y660 HydrophobicContact CD2-CD1 3.89Å; L615-Y660 HydrophobicContact CD2-CE1 3.6Å; L615-Y660 HydrophobicContact CD2-CE2 4.31Å; L615-Y660 HydrophobicContact CD2-CG 4.38Å; T643-Y660 HydrophobicContact CG2-CD1 4.32Å; H646-Y660 HydrophobicContact CB-CD1 3.91Å; H646-Y660 HydrophobicContact CB-CD2 4.04Å; H646-Y660 HydrophobicContact CB-CE1 3.68Å; H646-Y660 HydrophobicContact CB-CE2 3.85Å; H646-Y660 HydrophobicContact CB-CG 4.08Å; H646-Y660 AromaticContact CG-CE1 3.83Å; H646-Y660 AromaticContact CG-CZ 3.64Å; H646-Y660 AromaticContact ND1-CE1 3.63Å; H646-Y660 AromaticContact ND1-CZ 3.71Å; L650-Y660 HydrophobicContact CD1-CD2 3.62Å; L650-Y660 HydrophobicContact CD1-CE2 3.93Å; L656-Y660 HydrophobicContact CB-CD2 4.4Å; L656-Y660 HydrophobicContact CB-CE2 4.34Å; L656-Y660 VanDerWaalsContact O-CD2 3.31Å; L656-Y660 WeakPolarHBondContact O-CD2 3.1Å; L656-Y660 PolarHBondContact O-N 2.72Å; R657-Y660 PolarHBondContact O-N 2.74Å; Y660-L663 PolarHBondContact O-N 3.45Å; Y660-M664 PolarHBondContact O-N 3.39Å
661	L	96.6	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-44.8	172.9	-75.3	169.6	0	0	0	111.5	I647 R657 M664 H665 L687 I690 D703 I706 V707	I647-L661 HydrophobicContact CD1-CD2 4.23Å; I647-L661 HydrophobicContact CG2-CD2 3.76Å; I647-L661 HydrophobicContact CG2-CG 4.22Å; R657-L661 WeakPolarHBondContact O-CB 3.47Å; R657-L661 VanDerWaalsContact O-CG 3.31Å; R657-L661 WeakPolarHBondContact O-CG 3.15Å; R657-L661 PolarHBondContact O-N 3.07Å; L661-M664 PolarHBondContact O-N 3.36Å; L661-H665 PolarHBondContact O-N 2.74Å; L661-L687 HydrophobicContact CD2-CD2 3.92Å; L661-I690 HydrophobicContact CD1-CD1 4.4Å; L661-I690 HydrophobicContact CD2-CD1 4.21Å; L661-D703 HydrophobicContact CD1-CB 3.81Å; L661-I706 HydrophobicContact CB-CG2 3.92Å; L661-V707 HydrophobicContact CD1-CG2 4.08Å; L661-V707 HydrophobicContact CD2-CG2 3.85Å
662	S	95.8	Very high	94.4	Very high	40 Å²	40	35.2 Å²	35.2	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-64.3	-39.4	177.1	-57.9	0	0	0	0	112.1	M658 E659 H665 A666	M658-S662 WeakPolarHBondContact O-CB 3.29Å; M658-S662 PolarHBondContact O-N 2.98Å; M658-S662 PolarHBondContact O-OG 3.4Å; E659-S662 PolarHBondContact O-N 3.18Å; S662-H665 WeakPolarHBondContact O-CB 3.5Å; S662-H665 PolarHBondContact O-N 3.05Å; S662-A666 PolarHBondContact O-N 3.37Å
663	L	97.1	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-47.7	172.2	173.6	58.4	0	0	0	111.5	L594 L615 L618 Q619 F622 E659 Y660 H665 A666 V667	L594-L663 HydrophobicContact CD1-CD2 4.5Å; L615-L663 HydrophobicContact CD2-CD2 4.1Å; L618-L663 HydrophobicContact CB-CD1 3.58Å; L618-L663 HydrophobicContact CB-CD2 4.2Å; L618-L663 HydrophobicContact CD1-CD2 4.05Å; Q619-L663 HydrophobicContact CG-CB 4.17Å; F622-L663 HydrophobicContact CD2-CD1 3.76Å; F622-L663 HydrophobicContact CE2-CD1 4.32Å; E659-L663 WeakPolarHBondContact O-CB 3.11Å; E659-L663 PolarHBondContact O-N 2.9Å; Y660-L663 PolarHBondContact O-N 3.45Å; L663-H665 VanDerWaalsContact C-N 3.3Å; L663-H665 PolarHBondContact O-N 2.97Å; L663-A666 PolarHBondContact O-N 2.71Å; L663-V667 HydrophobicContact CD1-CG2 4.22Å; L663-V667 WeakPolarHBondContact O-CG2 3.34Å; L663-V667 PolarHBondContact O-N 3.33Å
664	M	97.3	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-39.7	177.2	-168.7	67	-114.8	0	0	111.4	I640 T643 V644 I647 Y660 L661 V667 V668 Y673 L683 M710	I640-M664 HydrophobicContact CG1-CE 4.45Å; T643-M664 HydrophobicContact CG2-CB 3.99Å; T643-M664 HydrophobicContact CG2-SD 4.12Å; V644-M664 HydrophobicContact CG2-SD 4.38Å; I647-M664 HydrophobicContact CD1-CB 4.1Å; Y660-M664 PolarHBondContact O-N 3.39Å; L661-M664 PolarHBondContact O-N 3.36Å; M664-V667 HydrophobicContact CE-CB 4.05Å; M664-V667 HydrophobicContact CE-CG1 3.78Å; M664-V667 PolarHBondContact O-N 2.82Å; M664-V668 HydrophobicContact CE-CG2 3.62Å; M664-V668 WeakPolarHBondContact O-CG2 3.26Å; M664-V668 PolarHBondContact O-N 2.99Å; M664-Y673 HydrophobicContact CE-CD2 4.19Å; M664-Y673 HydrophobicContact CE-CE2 4.05Å; M664-L683 HydrophobicContact CE-CD2 4.28Å; M664-L683 HydrophobicContact CG-CD1 4.06Å; M664-L683 HydrophobicContact CG-CD2 3.99Å; M664-L683 HydrophobicContact SD-CD2 4.19Å; M664-M710 HydrophobicContact CB-CE 4.2Å; M664-M710 HydrophobicContact CG-CE 4.05Å
665	H	96.6	Very high	95	Very high	19 Å²	19	39.8 Å²	39.8	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-46.9	174.9	-167.3	-177.8	0	0	0	112	L661 S662 L663 V668 R669 M710 E713	L661-H665 PolarHBondContact O-N 2.74Å; S662-H665 WeakPolarHBondContact O-CB 3.5Å; S662-H665 PolarHBondContact O-N 3.05Å; L663-H665 VanDerWaalsContact C-N 3.3Å; L663-H665 PolarHBondContact O-N 2.97Å; H665-V668 PolarHBondContact O-N 3.23Å; H665-R669 PolarHBondContact CE1-NH2 2.73Å; H665-R669 VanDerWaalsContact CE1-NH2 3.33Å; H665-R669 PolarHBondContact NE2-NH2 3.14Å; H665-R669 VanDerWaalsContact NE2-NH2 3.18Å; H665-R669 PolarHBondContact O-N 3.02Å; H665-R669 VanDerWaalsContact O-N 3.07Å; H665-M710 HydrophobicContact CB-CE 4.26Å; H665-M710 HydrophobicContact CB-CG 3.7Å; H665-M710 HydrophobicContact CB-SD 4Å; H665-M710 VanDerWaalsContact CG-CG 3.49Å; H665-E713 IonicContact CD2-OE2 2.71Å; H665-E713 IonicContact CE1-OE2 3.88Å; H665-E713 PolarHBondContact CE1-OE2 2.93Å; H665-E713 IonicContact NE2-OE2 3.75Å; H665-E713 PolarHBondContact NE2-OE2 3.37Å
666	A	96.2	Very high	95.1	Very high	13 Å²	13	36.4 Å²	36.4	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-43.2	176	0	0	0	0	0	112	F622 S662 L663 V668 R669 T670	F622-A666 HydrophobicContact CB-CB 3.65Å; S662-A666 PolarHBondContact O-N 3.37Å; L663-A666 PolarHBondContact O-N 2.71Å; A666-V668 PolarHBondContact O-N 3.47Å; A666-R669 PolarHBondContact O-N 3.18Å; A666-T670 VanDerWaalsContact O-CB 3.28Å; A666-T670 WeakPolarHBondContact O-CB 3.36Å; A666-T670 PolarHBondContact O-N 2.92Å; A666-T670 PolarHBondContact O-OG1 2.99Å
667	V	96.7	Very high	95.2	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.199	C	C	.	.	H	α-helix	trans	-58.8	-45.5	175.4	168.7	0	0	0	0	111.5	F622 M636 L639 I640 L663 M664 R669 T671	F622-V667 HydrophobicContact CB-CG2 4.48Å; F622-V667 HydrophobicContact CD1-CG2 3.93Å; F622-V667 HydrophobicContact CD2-CG2 3.63Å; F622-V667 HydrophobicContact CE1-CG2 4.09Å; F622-V667 HydrophobicContact CE2-CG2 3.83Å; F622-V667 HydrophobicContact CG-CG2 3.72Å; F622-V667 HydrophobicContact CZ-CG2 4.06Å; M636-V667 HydrophobicContact CE-CG1 3.79Å; L639-V667 HydrophobicContact CD2-CG2 3.9Å; I640-V667 HydrophobicContact CD1-CG1 4.42Å; I640-V667 HydrophobicContact CG1-CG1 4.22Å; L663-V667 HydrophobicContact CD1-CG2 4.22Å; L663-V667 WeakPolarHBondContact O-CG2 3.34Å; L663-V667 PolarHBondContact O-N 3.33Å; M664-V667 HydrophobicContact CE-CB 4.05Å; M664-V667 HydrophobicContact CE-CG1 3.78Å; M664-V667 PolarHBondContact O-N 2.82Å; V667-R669 PolarHBondContact O-N 3.07Å; V667-T671 WeakPolarHBondContact O-CB 3.49Å; V667-T671 PolarHBondContact O-N 3.45Å; V667-T671 VanDerWaalsContact O-N 3.08Å; V667-T671 PolarHBondContact O-OG1 3.32Å
668	V	95.9	Very high	95.3	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.036	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-38.8	178.6	178.9	0	0	0	0	112.1	M664 H665 A666 Y673 F714 L717	M664-V668 HydrophobicContact CE-CG2 3.62Å; M664-V668 WeakPolarHBondContact O-CG2 3.26Å; M664-V668 PolarHBondContact O-N 2.99Å; H665-V668 PolarHBondContact O-N 3.23Å; A666-V668 PolarHBondContact O-N 3.47Å; V668-Y673 HydrophobicContact CB-CD1 4.37Å; V668-Y673 HydrophobicContact CG1-CD1 4.13Å; V668-Y673 HydrophobicContact CG2-CD1 3.63Å; V668-Y673 HydrophobicContact CG2-CE1 4.08Å; V668-Y673 HydrophobicContact CG2-CG 4.04Å; V668-F714 HydrophobicContact CB-CD2 4.4Å; V668-F714 HydrophobicContact CB-CE2 4.27Å; V668-F714 HydrophobicContact CG1-CD1 4.01Å; V668-F714 HydrophobicContact CG1-CD2 3.62Å; V668-F714 HydrophobicContact CG1-CE1 4.12Å; V668-F714 HydrophobicContact CG1-CE2 3.75Å; V668-F714 HydrophobicContact CG1-CG 3.77Å; V668-F714 HydrophobicContact CG1-CZ 4Å; V668-L717 HydrophobicContact CG1-CD1 4.42Å; V668-L717 HydrophobicContact CG2-CD1 4.38Å
669	R	95.1	Very high	95.3	Very high	137 Å²	137	44.6 Å²	44.6	52%	0.517	21%	0.212	S	C	.	.	H	α-helix	trans	-69.8	-37.5	-179.5	-173.8	-178.8	-69.1	141.6	-2.2	112.8	H665 A666 V667 E713 F714	H665-R669 PolarHBondContact CE1-NH2 2.73Å; H665-R669 VanDerWaalsContact CE1-NH2 3.33Å; H665-R669 PolarHBondContact NE2-NH2 3.14Å; H665-R669 VanDerWaalsContact NE2-NH2 3.18Å; H665-R669 PolarHBondContact O-N 3.02Å; H665-R669 VanDerWaalsContact O-N 3.07Å; A666-R669 PolarHBondContact O-N 3.18Å; V667-R669 PolarHBondContact O-N 3.07Å; R669-E713 IonicContact CZ-OE1 2.71Å; R669-E713 IonicContact CZ-OE2 3.72Å; R669-E713 IonicContact NE-OE1 2.69Å; R669-E713 PolarHBondContact NE-OE1 3.37Å; R669-E713 IonicContact NE-OE2 2.95Å; R669-E713 IonicContact NH2-OE1 3.23Å; R669-E713 PolarHBondContact NH2-OE1 3.16Å; R669-E713 IonicContact NH2-OE2 3.93Å; R669-E713 PolarHBondContact NH2-OE2 2.83Å; R669-F714 HydrophobicContact CB-CE2 4.45Å; R669-F714 HydrophobicContact CB-CZ 4.14Å
670	T	94.9	Very high	95.4	Very high	23 Å²	23	43.3 Å²	43.3	14%	0.141	21%	0.207	C	C	.	.	H	α-helix	trans	-103.7	-16	-164.1	-61.8	0	0	0	0	113.8	F622 S624 P625 A628 A666	F622-T670 VanDerWaalsContact O-CB 3.23Å; F622-T670 WeakPolarHBondContact O-CB 3.49Å; F622-T670 WeakPolarHBondContact O-CG2 3.31Å; F622-T670 PolarHBondContact O-OG1 2.96Å; S624-T670 WeakPolarHBondContact O-CG2 3.5Å; P625-T670 HydrophobicContact CB-CG2 4.34Å; P625-T670 HydrophobicContact CG-CG2 4.04Å; A628-T670 HydrophobicContact CB-CG2 3.66Å; A666-T670 VanDerWaalsContact O-CB 3.28Å; A666-T670 WeakPolarHBondContact O-CB 3.36Å; A666-T670 PolarHBondContact O-N 2.92Å; A666-T670 PolarHBondContact O-OG1 2.99Å
671	T	94.6	Very high	95.3	Very high	20 Å²	20	45.9 Å²	45.9	12%	0.123	22%	0.224	C	C	.	.	S	Bend	trans	-117.8	161.4	-179.7	75.2	0	0	0	0	111.3	F622 A628 M636 V667 Y673	F622-T671 HydrophobicContact CD1-CG2 3.79Å; F622-T671 HydrophobicContact CE1-CG2 3.66Å; A628-T671 HydrophobicContact CB-CG2 4.28Å; M636-T671 HydrophobicContact CE-CG2 3.84Å; M636-T671 HydrophobicContact SD-CG2 4.39Å; V667-T671 WeakPolarHBondContact O-CB 3.49Å; V667-T671 PolarHBondContact O-N 3.45Å; V667-T671 VanDerWaalsContact O-N 3.08Å; V667-T671 PolarHBondContact O-OG1 3.32Å; T671-Y673 PolarHBondContact O-N 3.24Å
672	P	93.9	Very high	95.2	Very high	86 Å²	86	49.2 Å²	49.2	56%	0.558	24%	0.242	S	C	*	.			trans	-73.6	42	176.9	31.8	-36.8	0	0	0	113.6	L674 Q675 H676	P672-L674 VanDerWaalsContact C-N 3.32Å; P672-L674 PolarHBondContact O-N 3.35Å; P672-Q675 HydrophobicContact CB-CB 4.4Å; P672-Q675 VanDerWaalsContact O-CB 3.3Å; P672-Q675 WeakPolarHBondContact O-CB 3.33Å; P672-Q675 PolarHBondContact O-N 3.15Å; P672-H676 PolarHBondContact O-CD2 3.25Å; P672-H676 VanDerWaalsContact O-CD2 3.28Å
673	Y	95	Very high	95.2	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-51.9	-46.1	-175.1	179.2	-102.9	0	0	0	113.3	I640 M664 V668 T671 Q675 H676 R677 H678 L680 L683 L717	I640-Y673 HydrophobicContact CD1-CD2 3.75Å; I640-Y673 HydrophobicContact CD1-CE2 3.91Å; I640-Y673 HydrophobicContact CG2-CE2 4.21Å; M664-Y673 HydrophobicContact CE-CD2 4.19Å; M664-Y673 HydrophobicContact CE-CE2 4.05Å; V668-Y673 HydrophobicContact CB-CD1 4.37Å; V668-Y673 HydrophobicContact CG1-CD1 4.13Å; V668-Y673 HydrophobicContact CG2-CD1 3.63Å; V668-Y673 HydrophobicContact CG2-CE1 4.08Å; V668-Y673 HydrophobicContact CG2-CG 4.04Å; T671-Y673 PolarHBondContact O-N 3.24Å; Y673-Q675 PolarHBondContact O-N 3.02Å; Y673-Q675 VanDerWaalsContact O-N 3.14Å; Y673-H676 WeakPolarHBondContact CA-NE2 3.39Å; Y673-H676 AromaticContact CD2-CE1 3.81Å; Y673-H676 PolarHBondContact O-N 3.35Å; Y673-R677 WeakPolarHBondContact O-CA 3.35Å; Y673-R677 PolarHBondContact O-N 3.39Å; Y673-H678 VanDerWaalsContact CE2-O 3.26Å; Y673-H678 WeakPolarHBondContact CE2-O 3.41Å; Y673-H678 PolarHBondContact OH-O 3.27Å; Y673-L680 HydrophobicContact CE1-CD1 4.14Å; Y673-L680 WeakPolarHBondContact OH-CA 3.36Å; Y673-L683 HydrophobicContact CE1-CD2 4.31Å; Y673-L717 HydrophobicContact CE1-CD2 4.19Å
674	L	93.1	Very high	95.2	Very high	61 Å²	61	47.8 Å²	47.8	32%	0.319	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-13.8	-177.9	-61.3	177.3	0	0	0	114.2	P672 R677 F714	P672-L674 VanDerWaalsContact C-N 3.32Å; P672-L674 PolarHBondContact O-N 3.35Å; L674-R677 VanDerWaalsContact O-CG 3.26Å; L674-R677 WeakPolarHBondContact O-CG 3.42Å; L674-R677 PolarHBondContact O-NE 2.84Å; L674-R677 VanDerWaalsContact O-NE 3.16Å; L674-F714 HydrophobicContact CD1-CD1 3.95Å
675	Q	93	Very high	95.1	Very high	169 Å²	169	49.8 Å²	49.8	79%	0.79	25%	0.247	S	C	*	.	H	α-helix	trans	-82	-44.3	176	-172.6	178.2	-1.2	0	0	111.9	P672 Y673	P672-Q675 HydrophobicContact CB-CB 4.4Å; P672-Q675 VanDerWaalsContact O-CB 3.3Å; P672-Q675 WeakPolarHBondContact O-CB 3.33Å; P672-Q675 PolarHBondContact O-N 3.15Å; Y673-Q675 PolarHBondContact O-N 3.02Å; Y673-Q675 VanDerWaalsContact O-N 3.14Å
676	H	93.3	Very high	95	Very high	59 Å²	59	49.6 Å²	49.6	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-96	-21.7	-178	66.5	84.5	0	0	0	113.7	M637 P672 Y673 H678	M637-H676 WeakPolarHBondContact CE-CE1 3.48Å; P672-H676 PolarHBondContact O-CD2 3.25Å; P672-H676 VanDerWaalsContact O-CD2 3.28Å; Y673-H676 WeakPolarHBondContact CA-NE2 3.39Å; Y673-H676 AromaticContact CD2-CE1 3.81Å; Y673-H676 PolarHBondContact O-N 3.35Å; H676-H678 WeakPolarHBondContact ND1-CB 3.25Å; H676-H678 PolarHBondContact ND1-N 2.99Å; H676-H678 PolarHBondContact O-N 3.39Å; H676-H678 VanDerWaalsContact O-N 3.12Å
677	R	93.6	Very high	95	Very high	137 Å²	137	49 Å²	49	52%	0.517	24%	0.242	S	C	.	.			trans	54.1	31.9	170.8	-56.7	-176.3	174.3	-157.9	-4	114.7	Y673 L674 R679 L680	Y673-R677 WeakPolarHBondContact O-CA 3.35Å; Y673-R677 PolarHBondContact O-N 3.39Å; L674-R677 VanDerWaalsContact O-CG 3.26Å; L674-R677 WeakPolarHBondContact O-CG 3.42Å; L674-R677 PolarHBondContact O-NE 2.84Å; L674-R677 VanDerWaalsContact O-NE 3.16Å; R677-R679 PolarHBondContact O-N 3.5Å; R677-L680 HydrophobicContact CB-CB 4.04Å; R677-L680 HydrophobicContact CB-CD2 3.88Å; R677-L680 HydrophobicContact CG-CD2 3.93Å; R677-L680 VanDerWaalsContact O-CB 3.25Å; R677-L680 WeakPolarHBondContact O-CB 3.26Å; R677-L680 PolarHBondContact O-N 3.29Å; R677-L680 VanDerWaalsContact O-N 3.15Å
678	H	96.2	Very high	94.8	Very high	50 Å²	50	51.9 Å²	51.9	23%	0.231	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	131.6	-178.6	-171.7	53.3	0	0	0	110.6	M637 D641 Y673 H676 L680	M637-H678 HydrophobicContact SD-CB 3.5Å; M637-H678 VanDerWaalsContact SD-CB 3.5Å; M637-H678 VanDerWaalsContact SD-CG 3.59Å; D641-H678 IonicContact OD1-CE1 2.8Å; D641-H678 IonicContact OD1-NE2 3.37Å; D641-H678 PolarHBondContact OD1-NE2 3.24Å; D641-H678 IonicContact OD2-CD2 3.32Å; D641-H678 IonicContact OD2-CE1 2.71Å; D641-H678 IonicContact OD2-NE2 3.21Å; D641-H678 PolarHBondContact OD2-NE2 3.48Å; Y673-H678 VanDerWaalsContact CE2-O 3.26Å; Y673-H678 WeakPolarHBondContact CE2-O 3.41Å; Y673-H678 PolarHBondContact OH-O 3.27Å; H676-H678 WeakPolarHBondContact ND1-CB 3.25Å; H676-H678 PolarHBondContact ND1-N 2.99Å; H676-H678 PolarHBondContact O-N 3.39Å; H676-H678 VanDerWaalsContact O-N 3.12Å; H678-L680 PolarHBondContact O-N 3.06Å
679	R	95.4	Very high	94.8	Very high	74 Å²	74	56.8 Å²	56.8	28%	0.279	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	18.3	-174.4	-54.9	-64.7	-65.5	-72.8	-4.7	115.6	I640 D641 V644 R677 D682 L683	I640-R679 HydrophobicContact CG2-CB 4.16Å; I640-R679 HydrophobicContact CG2-CG 4.29Å; D641-R679 WeakPolarHBondContact OD1-CD 3.4Å; D641-R679 WeakPolarHBondContact OD1-CG 3.33Å; D641-R679 IonicContact OD1-CZ 3.09Å; D641-R679 IonicContact OD1-NE 2.73Å; D641-R679 IonicContact OD1-NH1 3.78Å; D641-R679 PolarHBondContact OD1-NH1 2.72Å; V644-R679 HydrophobicContact CG1-CB 4.44Å; V644-R679 HydrophobicContact CG2-CB 4.21Å; R677-R679 PolarHBondContact O-N 3.5Å; R679-D682 IonicContact CZ-OD2 2.64Å; R679-D682 IonicContact NE-OD2 2.99Å; R679-D682 PolarHBondContact NE-OD2 2.94Å; R679-D682 IonicContact NH2-OD2 2.95Å; R679-D682 PolarHBondContact NH2-OD2 3.48Å; R679-D682 PolarHBondContact O-N 3.47Å; R679-L683 PolarHBondContact O-N 3.5Å
680	L	95.4	Very high	94.7	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-57.3	-45.1	-176.8	176.4	66.1	0	0	0	113.9	Y673 R677 H678 D682 L683 Q684 V716 L717	Y673-L680 HydrophobicContact CE1-CD1 4.14Å; Y673-L680 WeakPolarHBondContact OH-CA 3.36Å; R677-L680 HydrophobicContact CB-CB 4.04Å; R677-L680 HydrophobicContact CB-CD2 3.88Å; R677-L680 HydrophobicContact CG-CD2 3.93Å; R677-L680 VanDerWaalsContact O-CB 3.25Å; R677-L680 WeakPolarHBondContact O-CB 3.26Å; R677-L680 PolarHBondContact O-N 3.29Å; R677-L680 VanDerWaalsContact O-N 3.15Å; H678-L680 PolarHBondContact O-N 3.06Å; L680-D682 VanDerWaalsContact C-N 3.33Å; L680-D682 PolarHBondContact O-N 3.41Å; L680-L683 PolarHBondContact O-N 2.88Å; L680-Q684 HydrophobicContact CD1-CG 3.87Å; L680-Q684 HydrophobicContact CG-CG 4.21Å; L680-Q684 VanDerWaalsContact O-CG 3.28Å; L680-Q684 WeakPolarHBondContact O-CG 3.33Å; L680-Q684 PolarHBondContact O-N 3.23Å; L680-V716 HydrophobicContact CD2-CG1 4.13Å; L680-L717 HydrophobicContact CD1-CD2 3.7Å
681	P	95.1	Very high	94.7	Very high	59 Å²	59	51.6 Å²	51.6	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-40.9	179.7	-24.3	35.6	0	0	0	113	A685 P721	P681-A685 WeakPolarHBondContact O-CB 3.47Å; P681-A685 PolarHBondContact O-N 2.88Å; P681-P721 HydrophobicContact CB-CB 4.2Å
682	D	95.8	Very high	94.6	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-48.6	176.4	-62	4.1	0	0	0	110.4	V644 R679 L680 Q684 A685 I686	V644-D682 HydrophobicContact CG1-CB 4.07Å; R679-D682 IonicContact CZ-OD2 2.64Å; R679-D682 IonicContact NE-OD2 2.99Å; R679-D682 PolarHBondContact NE-OD2 2.94Å; R679-D682 IonicContact NH2-OD2 2.95Å; R679-D682 PolarHBondContact NH2-OD2 3.48Å; R679-D682 PolarHBondContact O-N 3.47Å; L680-D682 VanDerWaalsContact C-N 3.33Å; L680-D682 PolarHBondContact O-N 3.41Å; D682-Q684 PolarHBondContact O-N 2.96Å; D682-A685 WeakPolarHBondContact O-CB 3.39Å; D682-A685 PolarHBondContact O-N 2.93Å; D682-A685 VanDerWaalsContact O-N 3.14Å; D682-I686 WeakPolarHBondContact O-CD1 3.28Å; D682-I686 VanDerWaalsContact O-CG1 3.24Å; D682-I686 WeakPolarHBondContact O-CG1 3.4Å; D682-I686 PolarHBondContact O-N 3.31Å
683	L	95.8	Very high	94.5	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-50.1	178.1	179.2	60.4	0	0	0	110.9	V644 M664 Y673 R679 L680 A685 I686 L687 L717	V644-L683 HydrophobicContact CG2-CB 4.38Å; V644-L683 HydrophobicContact CG2-CD1 4.47Å; M664-L683 HydrophobicContact CE-CD2 4.28Å; M664-L683 HydrophobicContact CG-CD1 4.06Å; M664-L683 HydrophobicContact CG-CD2 3.99Å; M664-L683 HydrophobicContact SD-CD2 4.19Å; Y673-L683 HydrophobicContact CE1-CD2 4.31Å; R679-L683 PolarHBondContact O-N 3.5Å; L680-L683 PolarHBondContact O-N 2.88Å; L683-A685 VanDerWaalsContact C-N 3.26Å; L683-A685 PolarHBondContact O-N 3.47Å; L683-I686 PolarHBondContact O-N 3.16Å; L683-L687 HydrophobicContact CD1-CD1 4.02Å; L683-L687 HydrophobicContact CD1-CD2 4.19Å; L683-L687 HydrophobicContact CD1-CG 3.92Å; L683-L687 HydrophobicContact CG-CD1 3.9Å; L683-L687 HydrophobicContact CG-CG 4.23Å; L683-L687 WeakPolarHBondContact O-CB 3.23Å; L683-L687 VanDerWaalsContact O-CG 3.23Å; L683-L687 WeakPolarHBondContact O-CG 3.47Å; L683-L687 PolarHBondContact O-N 3.35Å; L683-L717 HydrophobicContact CD2-CD2 4.09Å
684	Q	96.1	Very high	94.2	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-39.1	176.5	-64	168	-36.8	0	0	111.8	L680 D682 R688 V716	L680-Q684 HydrophobicContact CD1-CG 3.87Å; L680-Q684 HydrophobicContact CG-CG 4.21Å; L680-Q684 VanDerWaalsContact O-CG 3.28Å; L680-Q684 WeakPolarHBondContact O-CG 3.33Å; L680-Q684 PolarHBondContact O-N 3.23Å; D682-Q684 PolarHBondContact O-N 2.96Å; Q684-R688 VanDerWaalsContact C-NH2 3.29Å; Q684-R688 WeakPolarHBondContact O-CB 3.39Å; Q684-R688 PolarHBondContact O-N 2.97Å; Q684-R688 PolarHBondContact O-NE 3.02Å; Q684-R688 PolarHBondContact O-NH2 3.4Å; Q684-V716 PolarHBondContact NE2-O 3.15Å
685	A	95.3	Very high	94	Very high	42 Å²	42	63.8 Å²	63.8	35%	0.347	30%	0.302	S	S	.	.	H	α-helix	trans	-65.3	-43	176.9	0	0	0	0	0	112.6	P681 D682 L683 R689	P681-A685 WeakPolarHBondContact O-CB 3.47Å; P681-A685 PolarHBondContact O-N 2.88Å; D682-A685 WeakPolarHBondContact O-CB 3.39Å; D682-A685 PolarHBondContact O-N 2.93Å; D682-A685 VanDerWaalsContact O-N 3.14Å; L683-A685 VanDerWaalsContact C-N 3.26Å; L683-A685 PolarHBondContact O-N 3.47Å; A685-R689 WeakPolarHBondContact O-CB 3.46Å; A685-R689 PolarHBondContact O-N 2.92Å
686	I	95.6	Very high	93.7	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.082	30%	0.299	C	S	.	.	H	α-helix	trans	-67.5	-44.3	177.5	-65	155.5	0	0	0	111.1	V644 I647 A648 D682 L683 R688 R689 I690	V644-I686 HydrophobicContact CG1-CD1 3.62Å; I647-I686 HydrophobicContact CB-CG2 4.33Å; I647-I686 HydrophobicContact CG2-CG2 3.59Å; A648-I686 HydrophobicContact CB-CD1 3.71Å; A648-I686 HydrophobicContact CB-CG1 4.11Å; D682-I686 WeakPolarHBondContact O-CD1 3.28Å; D682-I686 VanDerWaalsContact O-CG1 3.24Å; D682-I686 WeakPolarHBondContact O-CG1 3.4Å; D682-I686 PolarHBondContact O-N 3.31Å; L683-I686 PolarHBondContact O-N 3.16Å; I686-R688 VanDerWaalsContact C-N 3.34Å; I686-R688 PolarHBondContact O-N 3.23Å; I686-R689 WeakPolarHBondContact O-CB 3.47Å; I686-R689 PolarHBondContact O-N 2.98Å; I686-R689 VanDerWaalsContact O-N 3.14Å; I686-I690 HydrophobicContact CG2-CD1 3.92Å; I686-I690 WeakPolarHBondContact O-CG1 3.4Å; I686-I690 PolarHBondContact O-N 3.37Å
687	L	95.3	Very high	93.6	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-43	176.9	-65.8	175.4	0	0	0	111.1	L661 L683 I690 L691 V707 M710 L717	L661-L687 HydrophobicContact CD2-CD2 3.92Å; L683-L687 HydrophobicContact CD1-CD1 4.02Å; L683-L687 HydrophobicContact CD1-CD2 4.19Å; L683-L687 HydrophobicContact CD1-CG 3.92Å; L683-L687 HydrophobicContact CG-CD1 3.9Å; L683-L687 HydrophobicContact CG-CG 4.23Å; L683-L687 WeakPolarHBondContact O-CB 3.23Å; L683-L687 VanDerWaalsContact O-CG 3.23Å; L683-L687 WeakPolarHBondContact O-CG 3.47Å; L683-L687 PolarHBondContact O-N 3.35Å; L687-I690 PolarHBondContact O-N 2.91Å; L687-L691 WeakPolarHBondContact O-CG 3.45Å; L687-L691 PolarHBondContact O-N 3.18Å; L687-V707 HydrophobicContact CB-CG1 3.8Å; L687-V707 HydrophobicContact CD2-CB 4.3Å; L687-V707 HydrophobicContact CD2-CG1 3.81Å; L687-V707 HydrophobicContact CD2-CG2 3.65Å; L687-V707 HydrophobicContact CG-CG1 4.3Å; L687-M710 HydrophobicContact CD2-CE 4.37Å; L687-M710 HydrophobicContact CD2-SD 4.31Å; L687-L717 HydrophobicContact CD1-CB 3.95Å
688	R	93.3	Very high	93.6	Very high	60 Å²	60	57.8 Å²	57.8	23%	0.226	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-35.2	173.3	-81.3	-177.6	-87.9	90.4	4.7	113.3	Q684 I686 N692 E719 P721	Q684-R688 VanDerWaalsContact C-NH2 3.29Å; Q684-R688 WeakPolarHBondContact O-CB 3.39Å; Q684-R688 PolarHBondContact O-N 2.97Å; Q684-R688 PolarHBondContact O-NE 3.02Å; Q684-R688 PolarHBondContact O-NH2 3.4Å; I686-R688 VanDerWaalsContact C-N 3.34Å; I686-R688 PolarHBondContact O-N 3.23Å; R688-N692 VanDerWaalsContact O-CG 3.27Å; R688-N692 PolarHBondContact O-N 2.86Å; R688-N692 PolarHBondContact O-ND2 3.29Å; R688-E719 VanDerWaalsContact CZ-O 3.25Å; R688-E719 PolarHBondContact NE-O 2.78Å; R688-E719 PolarHBondContact NH2-O 3.39Å; R688-P721 VanDerWaalsContact NH2-N 3.13Å
689	R	94.5	Very high	93.4	Very high	109 Å²	109	58.1 Å²	58.1	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-57.5	-52.8	171.3	-174	-173.4	74.4	179.5	3.4	110	I647 A648 A685 I686 L691 N692 E693	I647-R689 PolarHBondContact O-NH2 3.39Å; A648-R689 PolarHBondContact O-NH1 2.92Å; A648-R689 PolarHBondContact O-NH2 2.79Å; A685-R689 WeakPolarHBondContact O-CB 3.46Å; A685-R689 PolarHBondContact O-N 2.92Å; I686-R689 WeakPolarHBondContact O-CB 3.47Å; I686-R689 PolarHBondContact O-N 2.98Å; I686-R689 VanDerWaalsContact O-N 3.14Å; R689-L691 PolarHBondContact O-N 3.29Å; R689-N692 CarbonylContact O-C 3.5Å; R689-N692 PolarHBondContact O-N 2.87Å; R689-N692 VanDerWaalsContact O-N 3.08Å; R689-E693 PolarHBondContact O-N 3.1Å
690	I	94.1	Very high	93.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-40.6	-178	-66.2	166.5	0	0	0	112	I647 L661 I686 L687 N692 E693 D703 R704 V707	I647-I690 HydrophobicContact CG2-CD1 3.74Å; L661-I690 HydrophobicContact CD1-CD1 4.4Å; L661-I690 HydrophobicContact CD2-CD1 4.21Å; I686-I690 HydrophobicContact CG2-CD1 3.92Å; I686-I690 WeakPolarHBondContact O-CG1 3.4Å; I686-I690 PolarHBondContact O-N 3.37Å; L687-I690 PolarHBondContact O-N 2.91Å; I690-N692 PolarHBondContact O-N 3.49Å; I690-E693 PolarHBondContact O-N 2.9Å; I690-D703 HydrophobicContact CG2-CB 4.03Å; I690-R704 HydrophobicContact CG2-CG 4.2Å; I690-R704 WeakPolarHBondContact O-CD 3.34Å; I690-R704 VanDerWaalsContact O-CG 3.27Å; I690-R704 WeakPolarHBondContact O-CG 3.44Å; I690-V707 HydrophobicContact CB-CG2 4.46Å; I690-V707 HydrophobicContact CG2-CG2 4.02Å
691	L	93.4	Very high	93	Very high	52 Å²	52	59.2 Å²	59.2	27%	0.272	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-29	175.8	-73.2	173.7	0	0	0	113.7	L687 R689 V707 R708	L687-L691 WeakPolarHBondContact O-CG 3.45Å; L687-L691 PolarHBondContact O-N 3.18Å; R689-L691 PolarHBondContact O-N 3.29Å; L691-V707 HydrophobicContact CD1-CG1 3.89Å; L691-V707 HydrophobicContact CD2-CB 4.16Å; L691-V707 HydrophobicContact CD2-CG1 3.84Å; L691-V707 HydrophobicContact CG-CB 4.4Å; L691-V707 HydrophobicContact CG-CG1 3.62Å; L691-R708 HydrophobicContact CD2-CG 3.76Å
692	N	92.8	Very high	92.9	Very high	128 Å²	128	60.2 Å²	60.2	68%	0.684	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	2.2	-178.9	-65.2	-19.5	0	0	0	113.4	R688 R689 I690 E694	R688-N692 VanDerWaalsContact O-CG 3.27Å; R688-N692 PolarHBondContact O-N 2.86Å; R688-N692 PolarHBondContact O-ND2 3.29Å; R689-N692 CarbonylContact O-C 3.5Å; R689-N692 PolarHBondContact O-N 2.87Å; R689-N692 VanDerWaalsContact O-N 3.08Å; I690-N692 PolarHBondContact O-N 3.49Å; N692-E694 PolarHBondContact O-N 2.71Å
693	E	92.6	Very high	92.8	Very high	24 Å²	24	56.9 Å²	56.9	11%	0.112	29%	0.292	C	S	.	.			trans	-65.5	123.6	175.7	-74.7	170.8	-168.3	0	0	110.6	R657 R689 I690 E695 R704	R657-E693 IonicContact CZ-OE1 2.73Å; R657-E693 IonicContact CZ-OE2 3.26Å; R657-E693 VanDerWaalsContact CZ-OE2 3.32Å; R657-E693 VanDerWaalsContact NH1-CD 3.32Å; R657-E693 IonicContact NH1-OE1 2.82Å; R657-E693 PolarHBondContact NH1-OE1 3.31Å; R657-E693 IonicContact NH1-OE2 3.12Å; R657-E693 PolarHBondContact NH1-OE2 3.27Å; R657-E693 IonicContact NH2-OE1 3.28Å; R657-E693 IonicContact NH2-OE2 3.91Å; R657-E693 PolarHBondContact NH2-OE2 3.41Å; R689-E693 PolarHBondContact O-N 3.1Å; I690-E693 PolarHBondContact O-N 2.9Å; E693-E695 PolarHBondContact O-N 3.16Å; E693-R704 PolarHBondContact O-NH1 3.05Å
694	E	89.4	Confident	92.8	Very high	187 Å²	187	58.3 Å²	58.3	87%	0.874	30%	0.297	S	S	*	.			trans	-74	-14.9	-177.8	-61.2	-172.5	166	0	0	113.1	N692	N692-E694 PolarHBondContact O-N 2.71Å
695	E	88.2	Confident	92.7	Very high	85 Å²	85	63 Å²	63	40%	0.397	32%	0.32	S	S	.	.			trans	-62.2	144.9	-175.2	-66.5	-174.2	-170.2	0	0	113.3	P652 E693 C700 R704	P652-E695 VanDerWaalsContact CB-OE1 3.28Å; P652-E695 WeakPolarHBondContact CB-OE1 3.25Å; P652-E695 WeakPolarHBondContact CB-OE2 3.3Å; E693-E695 PolarHBondContact O-N 3.16Å; E695-C700 HydrophobicContact CB-CB 4.3Å; E695-C700 PolarHBondContact OE2-SG 3.06Å; E695-R704 PolarHBondContact O-NH1 3.16Å; E695-R704 PolarHBondContact O-NH2 2.96Å
696	T	86.4	Confident	92.7	Very high	116 Å²	116	62 Å²	62	71%	0.712	31%	0.309	S	S	*	.			trans	-108.9	5.5	-174.9	54.2	0	0	0	0	113.7	Q701	T696-Q701 PolarHBondContact O-NE2 2.95Å
697	S	91.8	Very high	92.7	Very high	31 Å²	31	61.3 Å²	61.3	22%	0.217	31%	0.305	C	S	.	.			trans	-56.8	147	177.8	74.3	0	0	0	0	111.7	Q699 C700 Q701	S697-Q699 PolarHBondContact O-N 2.89Å; S697-C700 PolarHBondContact O-N 2.71Å; S697-C700 VanDerWaalsContact OG-CB 3.3Å; S697-C700 WeakPolarHBondContact OG-CB 3.33Å; S697-C700 PolarHBondContact OG-N 3.14Å; S697-C700 VanDerWaalsContact OG-N 3.16Å; S697-C700 PolarHBondContact OG-SG 3.48Å; S697-Q701 WeakPolarHBondContact O-CG 3.28Å; S697-Q701 PolarHBondContact O-N 2.82Å
698	P	92	Very high	92.7	Very high	91 Å²	91	68.3 Å²	68.3	59%	0.591	33%	0.332	S	S	*	.	H	α-helix	trans	-64.1	-29.4	-178.3	23	-29.7	0	0	0	112.2	Q701 M702	P698-Q701 PolarHBondContact O-N 3.44Å; P698-M702 PolarHBondContact O-N 3.01Å
699	Q	92.1	Very high	92.8	Very high	57 Å²	57	69.8 Å²	69.8	27%	0.266	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-52.2	171.4	-67.2	77.4	9.1	0	0	111.2	G653 M658 S697 Q701 M702 D703	G653-Q699 WeakPolarHBondContact O-CG 3.24Å; M658-Q699 HydrophobicContact CE-CB 4.45Å; M658-Q699 HydrophobicContact CE-CG 4.14Å; S697-Q699 PolarHBondContact O-N 2.89Å; Q699-Q701 PolarHBondContact O-N 3.14Å; Q699-M702 WeakPolarHBondContact O-CA 3.06Å; Q699-M702 WeakPolarHBondContact O-CB 3.17Å; Q699-M702 PolarHBondContact O-N 2.95Å; Q699-D703 PolarHBondContact O-N 3.44Å
700	C	91.3	Very high	92.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.7	-26.6	176.6	-66.3	0	0	0	0	112.8	G653 E695 S697 R704	G653-C700 PolarHBondContact N-SG 2.88Å; E695-C700 HydrophobicContact CB-CB 4.3Å; E695-C700 PolarHBondContact OE2-SG 3.06Å; S697-C700 PolarHBondContact O-N 2.71Å; S697-C700 VanDerWaalsContact OG-CB 3.3Å; S697-C700 WeakPolarHBondContact OG-CB 3.33Å; S697-C700 PolarHBondContact OG-N 3.14Å; S697-C700 VanDerWaalsContact OG-N 3.16Å; S697-C700 PolarHBondContact OG-SG 3.48Å; C700-R704 WeakPolarHBondContact O-CG 3.5Å; C700-R704 PolarHBondContact O-N 3.48Å; C700-R704 PolarHBondContact O-NE 2.92Å; C700-R704 PolarHBondContact O-NH2 2.79Å
701	Q	92.3	Very high	92.9	Very high	107 Å²	107	65.7 Å²	65.7	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-41.3	169.7	-68.3	-179.7	40.3	0	0	112	T696 S697 P698 Q699 M705	T696-Q701 PolarHBondContact O-NE2 2.95Å; S697-Q701 WeakPolarHBondContact O-CG 3.28Å; S697-Q701 PolarHBondContact O-N 2.82Å; P698-Q701 PolarHBondContact O-N 3.44Å; Q699-Q701 PolarHBondContact O-N 3.14Å; Q701-M705 PolarHBondContact O-N 3.34Å
702	M	93.3	Very high	93	Very high	80 Å²	80	70.7 Å²	70.7	39%	0.394	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-46	175.9	-166.1	62.6	72.1	0	0	111.7	M658 P698 Q699 R704 M705 I706	M658-M702 HydrophobicContact SD-CG 4.05Å; P698-M702 PolarHBondContact O-N 3.01Å; Q699-M702 WeakPolarHBondContact O-CA 3.06Å; Q699-M702 WeakPolarHBondContact O-CB 3.17Å; Q699-M702 PolarHBondContact O-N 2.95Å; M702-R704 VanDerWaalsContact C-N 3.34Å; M702-R704 PolarHBondContact O-N 3.16Å; M702-M705 WeakPolarHBondContact O-CA 3.48Å; M702-M705 VanDerWaalsContact O-CB 3.28Å; M702-M705 WeakPolarHBondContact O-CB 3.13Å; M702-M705 PolarHBondContact O-N 3.02Å; M702-M705 HydrophobicContact SD-CE 4.11Å; M702-M705 HydrophobicContact SD-SD 4.27Å; M702-I706 HydrophobicContact CG-CD1 4.15Å; M702-I706 WeakPolarHBondContact O-CG1 3.29Å; M702-I706 PolarHBondContact O-N 3.03Å
703	D	94.1	Very high	93.1	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-54.2	-50.4	175.8	-64.8	-32.2	0	0	0	111	R657 M658 L661 I690 Q699 M705 I706 V707	R657-D703 IonicContact CZ-OD2 2.79Å; R657-D703 IonicContact NE-OD2 3.83Å; R657-D703 PolarHBondContact NE-OD2 3.02Å; R657-D703 IonicContact NH2-OD2 3.06Å; R657-D703 PolarHBondContact NH2-OD2 3.21Å; M658-D703 WeakPolarHBondContact CA-OD1 3.09Å; M658-D703 WeakPolarHBondContact CB-OD1 3.17Å; M658-D703 PolarHBondContact N-OD1 2.85Å; L661-D703 HydrophobicContact CD1-CB 3.81Å; I690-D703 HydrophobicContact CG2-CB 4.03Å; Q699-D703 PolarHBondContact O-N 3.44Å; D703-M705 VanDerWaalsContact C-N 3.26Å; D703-M705 PolarHBondContact O-N 3.01Å; D703-I706 PolarHBondContact O-N 3.24Å; D703-V707 WeakPolarHBondContact O-CG2 3.41Å; D703-V707 PolarHBondContact O-N 2.83Å
704	R	94.1	Very high	93.2	Very high	31 Å²	31	68.8 Å²	68.8	12%	0.117	34%	0.335	C	S	.	.	H	α-helix	trans	-64.8	-26.9	176.9	-72	175.5	-64	-165.9	-4.3	113.1	I690 E693 E695 C700 M702 R708	I690-R704 HydrophobicContact CG2-CG 4.2Å; I690-R704 WeakPolarHBondContact O-CD 3.34Å; I690-R704 VanDerWaalsContact O-CG 3.27Å; I690-R704 WeakPolarHBondContact O-CG 3.44Å; E693-R704 PolarHBondContact O-NH1 3.05Å; E695-R704 PolarHBondContact O-NH1 3.16Å; E695-R704 PolarHBondContact O-NH2 2.96Å; C700-R704 WeakPolarHBondContact O-CG 3.5Å; C700-R704 PolarHBondContact O-N 3.48Å; C700-R704 PolarHBondContact O-NE 2.92Å; C700-R704 PolarHBondContact O-NH2 2.79Å; M702-R704 VanDerWaalsContact C-N 3.34Å; M702-R704 PolarHBondContact O-N 3.16Å; R704-R708 WeakPolarHBondContact O-CB 3.36Å; R704-R708 VanDerWaalsContact O-CD 3.29Å; R704-R708 WeakPolarHBondContact O-CD 3.28Å; R704-R708 WeakPolarHBondContact O-CG 3.38Å; R704-R708 PolarHBondContact O-N 3.19Å; R704-R708 VanDerWaalsContact O-N 3.16Å
705	M	94.8	Very high	93.3	Very high	105 Å²	105	64 Å²	64	52%	0.517	32%	0.321	S	S	.	.	H	α-helix	trans	-68.7	-49.6	172.8	-167.7	-169.8	-52.7	0	0	110.7	Q701 M702 D703 V707 R708 E709	Q701-M705 PolarHBondContact O-N 3.34Å; M702-M705 WeakPolarHBondContact O-CA 3.48Å; M702-M705 VanDerWaalsContact O-CB 3.28Å; M702-M705 WeakPolarHBondContact O-CB 3.13Å; M702-M705 PolarHBondContact O-N 3.02Å; M702-M705 HydrophobicContact SD-CE 4.11Å; M702-M705 HydrophobicContact SD-SD 4.27Å; D703-M705 VanDerWaalsContact C-N 3.26Å; D703-M705 PolarHBondContact O-N 3.01Å; M705-V707 PolarHBondContact O-N 3Å; M705-R708 PolarHBondContact O-N 3.16Å; M705-E709 PolarHBondContact O-N 2.81Å
706	I	95.2	Very high	93.5	Very high	23 Å²	23	61.7 Å²	61.7	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-46.6	178.7	-62.3	161.3	0	0	0	110.2	M658 L661 M702 D703 R708 E709 M710	M658-I706 HydrophobicContact CB-CD1 3.84Å; L661-I706 HydrophobicContact CB-CG2 3.92Å; M702-I706 HydrophobicContact CG-CD1 4.15Å; M702-I706 WeakPolarHBondContact O-CG1 3.29Å; M702-I706 PolarHBondContact O-N 3.03Å; D703-I706 PolarHBondContact O-N 3.24Å; I706-R708 VanDerWaalsContact C-N 3.32Å; I706-R708 PolarHBondContact O-N 2.96Å; I706-E709 PolarHBondContact O-N 3.43Å; I706-E709 VanDerWaalsContact O-N 3.16Å; I706-M710 HydrophobicContact CG2-CG 4.39Å; I706-M710 HydrophobicContact CG2-SD 4.13Å; I706-M710 WeakPolarHBondContact O-CG 3.44Å; I706-M710 PolarHBondContact O-N 3.5Å
707	V	95.7	Very high	93.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-37.4	177.9	177.3	0	0	0	0	112.2	L661 L687 I690 L691 D703 M705 M710 C711	L661-V707 HydrophobicContact CD1-CG2 4.08Å; L661-V707 HydrophobicContact CD2-CG2 3.85Å; L687-V707 HydrophobicContact CB-CG1 3.8Å; L687-V707 HydrophobicContact CD2-CB 4.3Å; L687-V707 HydrophobicContact CD2-CG1 3.81Å; L687-V707 HydrophobicContact CD2-CG2 3.65Å; L687-V707 HydrophobicContact CG-CG1 4.3Å; I690-V707 HydrophobicContact CB-CG2 4.46Å; I690-V707 HydrophobicContact CG2-CG2 4.02Å; L691-V707 HydrophobicContact CD1-CG1 3.89Å; L691-V707 HydrophobicContact CD2-CB 4.16Å; L691-V707 HydrophobicContact CD2-CG1 3.84Å; L691-V707 HydrophobicContact CG-CB 4.4Å; L691-V707 HydrophobicContact CG-CG1 3.62Å; D703-V707 WeakPolarHBondContact O-CG2 3.41Å; D703-V707 PolarHBondContact O-N 2.83Å; M705-V707 PolarHBondContact O-N 3Å; V707-M710 PolarHBondContact O-N 3.45Å; V707-C711 WeakPolarHBondContact O-CB 3.49Å; V707-C711 PolarHBondContact O-N 3.44Å; V707-C711 PolarHBondContact O-SG 3.05Å; V707-C711 VanDerWaalsContact O-SG 3.34Å
708	R	95.2	Very high	93.3	Very high	149 Å²	149	56.3 Å²	56.3	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-66	-40.4	174.6	-74.3	166.5	-169.1	155.4	3.7	112.2	L691 R704 M705 I706 K712	L691-R708 HydrophobicContact CD2-CG 3.76Å; R704-R708 WeakPolarHBondContact O-CB 3.36Å; R704-R708 VanDerWaalsContact O-CD 3.29Å; R704-R708 WeakPolarHBondContact O-CD 3.28Å; R704-R708 WeakPolarHBondContact O-CG 3.38Å; R704-R708 PolarHBondContact O-N 3.19Å; R704-R708 VanDerWaalsContact O-N 3.16Å; M705-R708 PolarHBondContact O-N 3.16Å; I706-R708 VanDerWaalsContact C-N 3.32Å; I706-R708 PolarHBondContact O-N 2.96Å; R708-K712 WeakPolarHBondContact O-CB 3.27Å; R708-K712 PolarHBondContact O-N 3.37Å
709	E	96.4	Very high	93.1	Very high	91 Å²	91	57 Å²	57	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-46.8	174.4	-76.7	-85	105.9	0	0	111	M705 I706 C711 K712 E713	M705-E709 PolarHBondContact O-N 2.81Å; I706-E709 PolarHBondContact O-N 3.43Å; I706-E709 VanDerWaalsContact O-N 3.16Å; E709-C711 PolarHBondContact O-N 2.86Å; E709-K712 PolarHBondContact O-N 3.28Å; E709-K712 VanDerWaalsContact O-N 3.16Å; E709-K712 IonicContact OE1-NZ 2.71Å; E709-K712 PolarHBondContact OE1-NZ 3.24Å; E709-E713 PolarHBondContact O-N 2.71Å
710	M	95.5	Very high	92.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.5	-50.1	175.3	-71.3	175.5	75	0	0	112.4	M664 H665 L687 I706 V707 K712 E713 F714 L717	M664-M710 HydrophobicContact CB-CE 4.2Å; M664-M710 HydrophobicContact CG-CE 4.05Å; H665-M710 HydrophobicContact CB-CE 4.26Å; H665-M710 HydrophobicContact CB-CG 3.7Å; H665-M710 HydrophobicContact CB-SD 4Å; H665-M710 VanDerWaalsContact CG-CG 3.49Å; L687-M710 HydrophobicContact CD2-CE 4.37Å; L687-M710 HydrophobicContact CD2-SD 4.31Å; I706-M710 HydrophobicContact CG2-CG 4.39Å; I706-M710 HydrophobicContact CG2-SD 4.13Å; I706-M710 WeakPolarHBondContact O-CG 3.44Å; I706-M710 PolarHBondContact O-N 3.5Å; V707-M710 PolarHBondContact O-N 3.45Å; M710-K712 VanDerWaalsContact C-N 3.29Å; M710-K712 PolarHBondContact O-N 3.01Å; M710-E713 PolarHBondContact O-N 3.43Å; M710-F714 PolarHBondContact O-N 3.34Å; M710-L717 HydrophobicContact CB-CD1 4.27Å; M710-L717 HydrophobicContact CE-CD1 4.18Å
711	C	94.3	Very high	91.6	Very high	23 Å²	23	60.8 Å²	60.8	16%	0.155	32%	0.316	C	S	.	.	H	α-helix	trans	-70.6	-23	179.9	-67	0	0	0	0	113.4	V707 E709 F714 P715	V707-C711 WeakPolarHBondContact O-CB 3.49Å; V707-C711 PolarHBondContact O-N 3.44Å; V707-C711 PolarHBondContact O-SG 3.05Å; V707-C711 VanDerWaalsContact O-SG 3.34Å; E709-C711 PolarHBondContact O-N 2.86Å; C711-F714 CarbonylContact O-C 3.57Å; C711-P715 WeakPolarHBondContact O-CA 3.3Å
712	K	95	Very high	89.9	Confident	156 Å²	156	64.1 Å²	64.1	68%	0.678	35%	0.351	S	S	*	.	H	α-helix	trans	-78.7	-38.9	175.8	171.7	-177.7	152.1	-150.3	0	112	R708 E709 M710	R708-K712 WeakPolarHBondContact O-CB 3.27Å; R708-K712 PolarHBondContact O-N 3.37Å; E709-K712 PolarHBondContact O-N 3.28Å; E709-K712 VanDerWaalsContact O-N 3.16Å; E709-K712 IonicContact OE1-NZ 2.71Å; E709-K712 PolarHBondContact OE1-NZ 3.24Å; M710-K712 VanDerWaalsContact C-N 3.29Å; M710-K712 PolarHBondContact O-N 3.01Å
713	E	95.4	Very high	89.8	Confident	80 Å²	80	63.4 Å²	63.4	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-75.1	-37.9	174.6	-167.9	177.6	170.9	0	0	111.5	H665 R669 E709 M710	H665-E713 IonicContact CD2-OE2 2.71Å; H665-E713 IonicContact CE1-OE2 3.88Å; H665-E713 PolarHBondContact CE1-OE2 2.93Å; H665-E713 IonicContact NE2-OE2 3.75Å; H665-E713 PolarHBondContact NE2-OE2 3.37Å; R669-E713 IonicContact CZ-OE1 2.71Å; R669-E713 IonicContact CZ-OE2 3.72Å; R669-E713 IonicContact NE-OE1 2.69Å; R669-E713 PolarHBondContact NE-OE1 3.37Å; R669-E713 IonicContact NE-OE2 2.95Å; R669-E713 IonicContact NH2-OE1 3.23Å; R669-E713 PolarHBondContact NH2-OE1 3.16Å; R669-E713 IonicContact NH2-OE2 3.93Å; R669-E713 PolarHBondContact NH2-OE2 2.83Å; E709-E713 PolarHBondContact O-N 2.71Å; M710-E713 PolarHBondContact O-N 3.43Å
714	F	94.7	Very high	89.5	Confident	32 Å²	32	66.7 Å²	66.7	14%	0.14	37%	0.367	C	S	.	.			trans	-126.9	84.8	-178.3	-53.1	-71.5	0	0	0	111.2	V668 R669 L674 M710 C711 V716 L717	V668-F714 HydrophobicContact CB-CD2 4.4Å; V668-F714 HydrophobicContact CB-CE2 4.27Å; V668-F714 HydrophobicContact CG1-CD1 4.01Å; V668-F714 HydrophobicContact CG1-CD2 3.62Å; V668-F714 HydrophobicContact CG1-CE1 4.12Å; V668-F714 HydrophobicContact CG1-CE2 3.75Å; V668-F714 HydrophobicContact CG1-CG 3.77Å; V668-F714 HydrophobicContact CG1-CZ 4Å; R669-F714 HydrophobicContact CB-CE2 4.45Å; R669-F714 HydrophobicContact CB-CZ 4.14Å; L674-F714 HydrophobicContact CD1-CD1 3.95Å; M710-F714 PolarHBondContact O-N 3.34Å; C711-F714 CarbonylContact O-C 3.57Å; F714-V716 PolarHBondContact O-N 3.23Å; F714-L717 HydrophobicContact CB-CD1 3.85Å; F714-L717 HydrophobicContact CB-CG 3.9Å; F714-L717 HydrophobicContact CD2-CD1 4.31Å; F714-L717 HydrophobicContact CG-CD1 4.46Å; F714-L717 WeakPolarHBondContact O-CB 3.44Å; F714-L717 PolarHBondContact O-N 3.23Å
715	P	91.8	Very high	89.3	Confident	88 Å²	88	68.7 Å²	68.7	57%	0.571	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-52.6	-33.6	-175.2	-30.9	36.9	0	0	0	115.2	C711 L717 G718	C711-P715 WeakPolarHBondContact O-CA 3.3Å; P715-L717 PolarHBondContact O-N 2.84Å; P715-L717 VanDerWaalsContact O-N 3.15Å; P715-G718 PolarHBondContact O-N 3.44Å
716	V	91.5	Very high	89	Confident	35 Å²	35	66.5 Å²	66.5	21%	0.212	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-57.4	-27.8	177.5	-177.5	0	0	0	0	112.4	L680 Q684 F714 G718 E719	L680-V716 HydrophobicContact CD2-CG1 4.13Å; Q684-V716 PolarHBondContact NE2-O 3.15Å; F714-V716 PolarHBondContact O-N 3.23Å; V716-G718 VanDerWaalsContact C-N 3.29Å; V716-G718 PolarHBondContact O-N 3.08Å; V716-E719 PolarHBondContact O-N 3.29Å
717	L	90.4	Very high	88.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-71.3	-23	176.7	-60.4	-176.9	0	0	0	113.2	V668 Y673 L680 L683 L687 M710 F714 P715	V668-L717 HydrophobicContact CG1-CD1 4.42Å; V668-L717 HydrophobicContact CG2-CD1 4.38Å; Y673-L717 HydrophobicContact CE1-CD2 4.19Å; L680-L717 HydrophobicContact CD1-CD2 3.7Å; L683-L717 HydrophobicContact CD2-CD2 4.09Å; L687-L717 HydrophobicContact CD1-CB 3.95Å; M710-L717 HydrophobicContact CB-CD1 4.27Å; M710-L717 HydrophobicContact CE-CD1 4.18Å; F714-L717 HydrophobicContact CB-CD1 3.85Å; F714-L717 HydrophobicContact CB-CG 3.9Å; F714-L717 HydrophobicContact CD2-CD1 4.31Å; F714-L717 HydrophobicContact CG-CD1 4.46Å; F714-L717 WeakPolarHBondContact O-CB 3.44Å; F714-L717 PolarHBondContact O-N 3.23Å; P715-L717 PolarHBondContact O-N 2.84Å; P715-L717 VanDerWaalsContact O-N 3.15Å
718	G	84.2	Confident	88.1	Confident	34 Å²	34	73.9 Å²	73.9	35%	0.351	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-87.9	-11.1	178.7	0	0	0	0	0	114.5	P715 V716	P715-G718 PolarHBondContact O-N 3.44Å; V716-G718 VanDerWaalsContact C-N 3.29Å; V716-G718 PolarHBondContact O-N 3.08Å
719	E	87.6	Confident	87.6	Confident	106 Å²	106	68.5 Å²	68.5	50%	0.495	40%	0.404	S	S	.	.	S	Bend	trans	-67.5	157	-176.7	-67.9	175.4	-179	0	0	112.5	R688 V716	R688-E719 VanDerWaalsContact CZ-O 3.25Å; R688-E719 PolarHBondContact NE-O 2.78Å; R688-E719 PolarHBondContact NH2-O 3.39Å; V716-E719 PolarHBondContact O-N 3.29Å
720	A	79.2	Confident	86.9	Confident	74 Å²	74	66.8 Å²	66.8	61%	0.612	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-64.6	150.2	169.5	0	0	0	0	0	110	S722	A720-S722 PolarHBondContact O-N 3.33Å
721	P	72.5	Confident	86.2	Confident	63 Å²	63	72.3 Å²	72.3	41%	0.409	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-74.5	126.4	180	21.9	-6.5	0	0	0	107.8	P681 R688	P681-P721 HydrophobicContact CB-CB 4.2Å; R688-P721 VanDerWaalsContact NH2-N 3.13Å
722	S	57.8	Low	85.5	Confident	177 Å²	177	76.8 Å²	76.8	100%	1.238	46%	0.462	S	S	*	.			trans	-77.5	0	-178.8	61.8	0	0	0	0	112.7	A720	A720-S722 PolarHBondContact O-N 3.33Å

Retrieved 722 of 722 residues in 432.4 ms (Link to these results)

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