A0A087YJ32_POEFO Loading...

NCK interacting protein with SH3 domain

AlphaFold DB , UniProt , Accession A0A087YJ32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 746 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	85.7	Confident	86.9	Confident	30 Å²	30	77.4 Å²	77.4	15%	0.148	38%	0.378	C	S	.	.				0	159.2	0	-68.6	-167.4	-162.8	0	0	110.8	F24 L56 P59 E63 V64	M1-F24 CarbonylContact C-O 3.49Å; M1-F24 VanDerWaalsContact CA-O 3.28Å; M1-F24 WeakPolarHBondContact CA-O 3.38Å; M1-L56 HydrophobicContact CB-CD1 4.04Å; M1-L56 PolarHBondContact O-N 3.19Å; M1-P59 HydrophobicContact CB-CB 4.25Å; M1-P59 HydrophobicContact CB-CG 4.24Å; M1-P59 HydrophobicContact CE-CB 4.35Å; M1-P59 HydrophobicContact CG-CB 4.08Å; M1-P59 HydrophobicContact CG-CG 4.29Å; M1-P59 HydrophobicContact SD-CB 4.16Å; M1-E63 HydrophobicContact CE-CB 3.65Å; M1-E63 WeakPolarHBondContact CE-O 3.34Å; M1-V64 VanDerWaalsContact CE-CA 3.45Å; M1-V64 HydrophobicContact CE-CB 4.18Å; M1-V64 HydrophobicContact CE-CG2 3.7Å; M1-V64 VanDerWaalsContact CE-N 3.29Å; M1-V64 HydrophobicContact CG-CG2 4.2Å
2	Y	90.1	Very high	86.3	Confident	38 Å²	38	80.1 Å²	80.1	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.6	177.3	-69.2	-104.7	0	0	0	109.7	T23 F24 I26 W35 I53 E54 K55	Y2-T23 CarbonylContact O-C 3.55Å; Y2-T23 VanDerWaalsContact O-CA 3.3Å; Y2-T23 WeakPolarHBondContact O-CA 3.49Å; Y2-F24 PolarHBondContact N-O 3.49Å; Y2-F24 PolarHBondContact O-N 3.31Å; Y2-I26 HydrophobicContact CD2-CB 4.15Å; Y2-I26 HydrophobicContact CD2-CD1 4.41Å; Y2-I26 HydrophobicContact CD2-CG1 3.28Å; Y2-I26 HydrophobicContact CE2-CB 4.04Å; Y2-I26 HydrophobicContact CE2-CG1 3.55Å; Y2-I26 HydrophobicContact CG-CG1 3.95Å; Y2-W35 HydrophobicContact CD1-CZ3 4.29Å; Y2-W35 AromaticContact CE1-CZ3 3.77Å; Y2-W35 HydrophobicContact CE1-CZ3 3.77Å; Y2-I53 HydrophobicContact CD1-CD1 4.19Å; Y2-I53 HydrophobicContact CD1-CG1 4.34Å; Y2-I53 HydrophobicContact CG-CD1 4.3Å; Y2-E54 CarbonylContact C-O 3.54Å; Y2-E54 WeakPolarHBondContact CA-O 3.36Å; Y2-E54 WeakPolarHBondContact CB-O 3.15Å; Y2-K55 VanDerWaalsContact CD1-CA 3.49Å; Y2-K55 HydrophobicContact CD1-CB 3.94Å; Y2-K55 HydrophobicContact CE1-CB 3.59Å; Y2-K55 HydrophobicContact CE1-CG 4.06Å
3	R	91.1	Very high	85.2	Confident	110 Å²	110	83.9 Å²	83.9	42%	0.415	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.1	174.3	-166.5	-176.7	89.1	-156.4	4.6	110.1	E22 T23 I53 E54 L56	R3-E22 CarbonylContact C-O 3.54Å; R3-E22 VanDerWaalsContact CA-O 3.23Å; R3-E22 WeakPolarHBondContact CA-O 3.05Å; R3-E22 WeakPolarHBondContact CG-O 3.41Å; R3-T23 HydrophobicContact CB-CG2 4.46Å; R3-T23 HydrophobicContact CG-CG2 4.23Å; R3-I53 CarbonylContact O-C 3.43Å; R3-I53 VanDerWaalsContact O-CA 3.31Å; R3-I53 WeakPolarHBondContact O-CA 3.27Å; R3-E54 PolarHBondContact N-O 2.95Å; R3-E54 PolarHBondContact O-N 2.8Å; R3-L56 HydrophobicContact CB-CD1 4.33Å; R3-L56 HydrophobicContact CB-CD2 3.86Å; R3-L56 HydrophobicContact CB-CG 4.11Å
4	S	90.8	Very high	84.7	Confident	1 Å²	1	83.5 Å²	83.5	1%	0.007	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	136.3	172.7	61.1	0	0	0	0	111.6	A19 A20 G21 E22 Y52	S4-A19 PolarHBondContact OG-O 3.23Å; S4-A20 WeakPolarHBondContact OG-CA 2.89Å; S4-G21 WeakPolarHBondContact O-CA 3.41Å; S4-G21 PolarHBondContact O-N 3.14Å; S4-G21 PolarHBondContact OG-N 3.33Å; S4-E22 PolarHBondContact N-O 3.06Å; S4-E22 PolarHBondContact OG-N 3.34Å; S4-E22 PolarHBondContact OG-O 3.06Å; S4-Y52 CarbonylContact C-O 3.59Å; S4-Y52 WeakPolarHBondContact CA-O 3.38Å
5	L	87.8	Confident	84.7	Confident	69 Å²	69	78.6 Å²	78.6	36%	0.361	40%	0.401	S	S	.	.	S	Bend	trans	-91	-31.6	171.6	-65.1	179.4	0	0	0	111.7	Y52 E54	L5-Y52 PolarHBondContact N-O 3.43Å; L5-E54 HydrophobicContact CD1-CB 4.13Å; L5-E54 HydrophobicContact CD2-CB 4.15Å; L5-E54 HydrophobicContact CG-CB 4.09Å
6	Y	88.7	Confident	84.9	Confident	143 Å²	143	73.9 Å²	73.9	56%	0.561	38%	0.377	S	S	*	.	S	Bend	trans	-129.8	155.8	-177.1	-53.8	-73	0	0	0	110.6	F18	Y6-F18 WeakPolarHBondContact O-CE2 3.32Å
7	A	88.4	Confident	85.1	Confident	64 Å²	64	74.7 Å²	74.7	53%	0.529	38%	0.378	S	S	.	.			trans	-76	141.3	171	0	0	0	0	0	110	F18	A7-F18 CarbonylContact C-O 3.56Å; A7-F18 WeakPolarHBondContact CA-O 3.43Å
8	F	89.8	Confident	85.3	Confident	21 Å²	21	71.1 Å²	71.1	9%	0.092	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-128.3	133.1	-179.5	175.7	-105.6	0	0	0	110.8	S10 L16 F18 W34 P49 Y52	F8-S10 VanDerWaalsContact CZ-CB 3.44Å; F8-L16 VanDerWaalsContact CD1-O 3.26Å; F8-L16 WeakPolarHBondContact CD1-O 3.48Å; F8-F18 HydrophobicContact CB-CD1 4.15Å; F8-F18 HydrophobicContact CB-CD2 4.04Å; F8-F18 HydrophobicContact CB-CE1 3.63Å; F8-F18 HydrophobicContact CB-CE2 3.54Å; F8-F18 HydrophobicContact CB-CG 4.33Å; F8-F18 HydrophobicContact CB-CZ 3.3Å; F8-F18 HydrophobicContact CD1-CD1 4.19Å; F8-F18 AromaticContact CD1-CE1 3.59Å; F8-F18 HydrophobicContact CD1-CE1 3.59Å; F8-F18 HydrophobicContact CD1-CZ 4.06Å; F8-F18 AromaticContact CG-CE1 3.95Å; F8-F18 HydrophobicContact CG-CE1 3.95Å; F8-F18 AromaticContact CG-CZ 3.92Å; F8-F18 HydrophobicContact CG-CZ 3.92Å; F8-F18 PolarHBondContact N-O 3.39Å; F8-F18 PolarHBondContact O-N 3.16Å; F8-W34 HydrophobicContact CE1-CH2 4.43Å; F8-W34 HydrophobicContact CE1-CZ3 4.11Å; F8-W34 AromaticContact CE2-CH2 3.98Å; F8-W34 HydrophobicContact CE2-CH2 3.98Å; F8-W34 HydrophobicContact CE2-CZ3 4.33Å; F8-W34 AromaticContact CZ-CH2 3.49Å; F8-W34 HydrophobicContact CZ-CH2 3.49Å; F8-W34 VanDerWaalsContact CZ-CH2 3.49Å; F8-W34 AromaticContact CZ-CZ3 3.59Å; F8-W34 HydrophobicContact CZ-CZ3 3.59Å; F8-P49 HydrophobicContact CD1-CG 4.21Å; F8-P49 HydrophobicContact CD2-CG 3.58Å; F8-P49 HydrophobicContact CE1-CG 4.12Å; F8-P49 HydrophobicContact CE2-CG 3.46Å; F8-P49 VanDerWaalsContact CE2-CG 3.46Å; F8-P49 HydrophobicContact CG-CG 3.97Å; F8-P49 HydrophobicContact CZ-CG 3.76Å; F8-Y52 HydrophobicContact CB-CD1 3.93Å; F8-Y52 HydrophobicContact CB-CE1 4.24Å; F8-Y52 HydrophobicContact CD2-CD1 4.46Å; F8-Y52 HydrophobicContact CD2-CE1 4.3Å
9	R	86.4	Confident	85.5	Confident	224 Å²	224	70 Å²	70	85%	0.845	36%	0.363	S	S	*	.			trans	-137.9	134.6	173.5	-64.2	-175.2	176.9	-173.8	-1.1	108.7	H17	R9-H17 WeakPolarHBondContact CA-ND1 3.26Å
10	S	82.6	Confident	85.7	Confident	27 Å²	27	69.5 Å²	69.5	19%	0.189	37%	0.369	C	S	.	.			trans	-136.4	161.6	177.4	168.2	0	0	0	0	110.1	F8 E12 S15 H17	F8-S10 VanDerWaalsContact CZ-CB 3.44Å; S10-E12 PolarHBondContact OG-N 2.89Å; S10-E12 VanDerWaalsContact OG-N 3.14Å; S10-S15 WeakPolarHBondContact CB-OG 3.27Å; S10-S15 PolarHBondContact OG-OG 2.64Å; S10-S15 VanDerWaalsContact OG-OG 3.11Å; S10-H17 PolarHBondContact N-CE1 3.33Å; S10-H17 PolarHBondContact O-CE1 2.74Å; S10-H17 PolarHBondContact O-NE2 3.27Å; S10-H17 VanDerWaalsContact O-NE2 3.09Å
11	S	75.2	Confident	85.6	Confident	124 Å²	124	68.3 Å²	68.3	87%	0.867	37%	0.373	S	S	*	.	S	Bend	trans	-95.4	1.1	174.3	50.5	0	0	0	0	112.3
12	E	79.6	Confident	85.9	Confident	110 Å²	110	69.2 Å²	69.2	51%	0.514	38%	0.377	S	S	.	.			trans	-82.4	132.1	-176.7	-66.6	-179.1	173.7	0	0	111.9	S10 N14 S15	S10-E12 PolarHBondContact OG-N 2.89Å; S10-E12 VanDerWaalsContact OG-N 3.14Å; E12-N14 VanDerWaalsContact C-N 3.26Å; E12-N14 PolarHBondContact O-N 3.14Å; E12-S15 PolarHBondContact O-N 2.78Å; E12-S15 VanDerWaalsContact O-N 3.14Å; E12-S15 PolarHBondContact O-OG 3.37Å
13	P	71.9	Confident	85.9	Confident	130 Å²	130	69.7 Å²	69.7	84%	0.844	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.9	-171.3	24	-33.9	0	0	0	114.4
14	N	77.6	Confident	85.8	Confident	78 Å²	78	64.5 Å²	64.5	42%	0.417	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	3.9	-177.6	-66.2	2	0	0	0	112.7	E12 Y47	E12-N14 VanDerWaalsContact C-N 3.26Å; E12-N14 PolarHBondContact O-N 3.14Å; N14-Y47 HydrophobicContact CB-CD2 4.08Å; N14-Y47 HydrophobicContact CB-CE2 4.43Å; N14-Y47 WeakPolarHBondContact O-CD2 3.26Å; N14-Y47 PolarHBondContact O-N 3.45Å
15	S	84.8	Confident	85.8	Confident	10 Å²	10	64.6 Å²	64.6	7%	0.07	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-95	136	-179.3	70.5	0	0	0	0	111.3	S10 E12	S10-S15 WeakPolarHBondContact CB-OG 3.27Å; S10-S15 PolarHBondContact OG-OG 2.64Å; S10-S15 VanDerWaalsContact OG-OG 3.11Å; E12-S15 PolarHBondContact O-N 2.78Å; E12-S15 VanDerWaalsContact O-N 3.14Å; E12-S15 PolarHBondContact O-OG 3.37Å
16	L	87.6	Confident	85.9	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.021	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-90.4	120.7	-176.7	-170.6	67.3	0	0	0	110	F8 F18 F24 R39 E44 Y47 I48	F8-L16 VanDerWaalsContact CD1-O 3.26Å; F8-L16 WeakPolarHBondContact CD1-O 3.48Å; L16-F18 WeakPolarHBondContact O-CD1 3.45Å; L16-F18 WeakPolarHBondContact O-CE1 3.38Å; L16-F24 HydrophobicContact CD2-CD1 4.02Å; L16-F24 HydrophobicContact CD2-CE1 3.7Å; L16-R39 HydrophobicContact CD2-CB 4.33Å; L16-E44 HydrophobicContact CD1-CB 4.11Å; L16-E44 VanDerWaalsContact CD1-CD 3.44Å; L16-E44 HydrophobicContact CD1-CG 3.57Å; L16-Y47 PolarHBondContact N-O 2.84Å; L16-I48 HydrophobicContact CB-CG1 4.05Å; L16-I48 HydrophobicContact CD2-CD1 3.91Å; L16-I48 HydrophobicContact CD2-CG1 4.13Å
17	H	88.8	Confident	85.8	Confident	87 Å²	87	56.8 Å²	56.8	40%	0.403	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-79.4	140.8	175.3	-64.6	-107.2	0	0	0	111.4	R9 S10 R39	R9-H17 WeakPolarHBondContact CA-ND1 3.26Å; S10-H17 PolarHBondContact N-CE1 3.33Å; S10-H17 PolarHBondContact O-CE1 2.74Å; S10-H17 PolarHBondContact O-NE2 3.27Å; S10-H17 VanDerWaalsContact O-NE2 3.09Å; H17-R39 PolarHBondContact O-NH2 3.04Å
18	F	88.6	Confident	85.7	Confident	10 Å²	10	57.1 Å²	57.1	4%	0.044	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-156	153.7	178.5	51.8	-94.1	0	0	0	113.8	Y6 A7 F8 L16 E22 F24 I48	Y6-F18 WeakPolarHBondContact O-CE2 3.32Å; A7-F18 CarbonylContact C-O 3.56Å; A7-F18 WeakPolarHBondContact CA-O 3.43Å; F8-F18 HydrophobicContact CB-CD1 4.15Å; F8-F18 HydrophobicContact CB-CD2 4.04Å; F8-F18 HydrophobicContact CB-CE1 3.63Å; F8-F18 HydrophobicContact CB-CE2 3.54Å; F8-F18 HydrophobicContact CB-CG 4.33Å; F8-F18 HydrophobicContact CB-CZ 3.3Å; F8-F18 HydrophobicContact CD1-CD1 4.19Å; F8-F18 AromaticContact CD1-CE1 3.59Å; F8-F18 HydrophobicContact CD1-CE1 3.59Å; F8-F18 HydrophobicContact CD1-CZ 4.06Å; F8-F18 AromaticContact CG-CE1 3.95Å; F8-F18 HydrophobicContact CG-CE1 3.95Å; F8-F18 AromaticContact CG-CZ 3.92Å; F8-F18 HydrophobicContact CG-CZ 3.92Å; F8-F18 PolarHBondContact N-O 3.39Å; F8-F18 PolarHBondContact O-N 3.16Å; L16-F18 WeakPolarHBondContact O-CD1 3.45Å; L16-F18 WeakPolarHBondContact O-CE1 3.38Å; F18-E22 HydrophobicContact CB-CB 4.47Å; F18-E22 WeakPolarHBondContact CB-OE2 3.45Å; F18-F24 HydrophobicContact CB-CE1 4.29Å; F18-F24 HydrophobicContact CB-CE2 4.37Å; F18-F24 HydrophobicContact CB-CZ 3.5Å; F18-F24 HydrophobicContact CD1-CE1 4.38Å; F18-F24 AromaticContact CD1-CZ 3.9Å; F18-F24 HydrophobicContact CD1-CZ 3.9Å; F18-F24 HydrophobicContact CD2-CE2 4.27Å; F18-F24 HydrophobicContact CD2-CZ 4.17Å; F18-F24 HydrophobicContact CG-CE1 4.45Å; F18-F24 HydrophobicContact CG-CE2 4.15Å; F18-F24 AromaticContact CG-CZ 3.6Å; F18-F24 HydrophobicContact CG-CZ 3.6Å; F18-I48 HydrophobicContact CE1-CB 4.21Å; F18-I48 HydrophobicContact CE1-CG1 4.07Å; F18-I48 HydrophobicContact CE1-CG2 3.56Å; F18-I48 HydrophobicContact CZ-CG2 3.68Å
19	A	90.1	Very high	85.6	Confident	50 Å²	50	63.7 Å²	63.7	41%	0.413	35%	0.348	S	S	.	.			trans	-81.6	165.3	168.1	0	0	0	0	0	111.7	S4 E22	S4-A19 PolarHBondContact OG-O 3.23Å; A19-E22 HydrophobicContact CB-CG 4.47Å; A19-E22 PolarHBondContact N-OE1 3.48Å
20	A	87.9	Confident	85.5	Confident	60 Å²	60	55 Å²	55	50%	0.496	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	139.2	170.8	0	0	0	0	0	110.2	S4	S4-A20 WeakPolarHBondContact OG-CA 2.89Å
21	G	85.2	Confident	85.5	Confident	44 Å²	44	57.5 Å²	57.5	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-0.5	-179	0	0	0	0	0	115.7	S4	S4-G21 WeakPolarHBondContact O-CA 3.41Å; S4-G21 PolarHBondContact O-N 3.14Å; S4-G21 PolarHBondContact OG-N 3.33Å
22	E	90.2	Very high	85.6	Confident	50 Å²	50	60.4 Å²	60.4	23%	0.234	33%	0.33	C	S	.	.			trans	-75	151.6	175.9	-73.1	-176	-153.6	0	0	112.2	R3 S4 F18 A19 F24 R39	R3-E22 CarbonylContact C-O 3.54Å; R3-E22 VanDerWaalsContact CA-O 3.23Å; R3-E22 WeakPolarHBondContact CA-O 3.05Å; R3-E22 WeakPolarHBondContact CG-O 3.41Å; S4-E22 PolarHBondContact N-O 3.06Å; S4-E22 PolarHBondContact OG-N 3.34Å; S4-E22 PolarHBondContact OG-O 3.06Å; F18-E22 HydrophobicContact CB-CB 4.47Å; F18-E22 WeakPolarHBondContact CB-OE2 3.45Å; A19-E22 HydrophobicContact CB-CG 4.47Å; A19-E22 PolarHBondContact N-OE1 3.48Å; E22-F24 HydrophobicContact CB-CE2 3.64Å; E22-F24 HydrophobicContact CB-CZ 3.55Å; E22-F24 WeakPolarHBondContact O-CE2 3.39Å; E22-R39 VanDerWaalsContact OE2-CD 3.29Å; E22-R39 WeakPolarHBondContact OE2-CD 3.43Å; E22-R39 IonicContact OE2-CZ 3.35Å; E22-R39 IonicContact OE2-NE 2.69Å; E22-R39 PolarHBondContact OE2-NE 2.99Å
23	T	90.4	Very high	85.8	Confident	48 Å²	48	61.3 Å²	61.3	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.1	-177.8	54.1	0	0	0	0	112.7	Y2 R3 C40 L56	Y2-T23 CarbonylContact O-C 3.55Å; Y2-T23 VanDerWaalsContact O-CA 3.3Å; Y2-T23 WeakPolarHBondContact O-CA 3.49Å; R3-T23 HydrophobicContact CB-CG2 4.46Å; R3-T23 HydrophobicContact CG-CG2 4.23Å; T23-C40 PolarHBondContact O-N 2.87Å; T23-C40 WeakPolarHBondContact OG1-CB 3.45Å; T23-L56 HydrophobicContact CG2-CD1 4.02Å
24	F	90.5	Very high	86.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.7	-173.7	-55.4	-82.6	0	0	0	112.3	M1 Y2 L16 F18 E22 S38 R39 I48 I53	M1-F24 CarbonylContact C-O 3.49Å; M1-F24 VanDerWaalsContact CA-O 3.28Å; M1-F24 WeakPolarHBondContact CA-O 3.38Å; Y2-F24 PolarHBondContact N-O 3.49Å; Y2-F24 PolarHBondContact O-N 3.31Å; L16-F24 HydrophobicContact CD2-CD1 4.02Å; L16-F24 HydrophobicContact CD2-CE1 3.7Å; F18-F24 HydrophobicContact CB-CE1 4.29Å; F18-F24 HydrophobicContact CB-CE2 4.37Å; F18-F24 HydrophobicContact CB-CZ 3.5Å; F18-F24 HydrophobicContact CD1-CE1 4.38Å; F18-F24 AromaticContact CD1-CZ 3.9Å; F18-F24 HydrophobicContact CD1-CZ 3.9Å; F18-F24 HydrophobicContact CD2-CE2 4.27Å; F18-F24 HydrophobicContact CD2-CZ 4.17Å; F18-F24 HydrophobicContact CG-CE1 4.45Å; F18-F24 HydrophobicContact CG-CE2 4.15Å; F18-F24 AromaticContact CG-CZ 3.6Å; F18-F24 HydrophobicContact CG-CZ 3.6Å; E22-F24 HydrophobicContact CB-CE2 3.64Å; E22-F24 HydrophobicContact CB-CZ 3.55Å; E22-F24 WeakPolarHBondContact O-CE2 3.39Å; F24-S38 CarbonylContact C-O 3.51Å; F24-S38 VanDerWaalsContact CA-O 3.27Å; F24-S38 WeakPolarHBondContact CA-O 3.41Å; F24-R39 HydrophobicContact CD1-CB 4.08Å; F24-R39 HydrophobicContact CD1-CG 4.35Å; F24-R39 HydrophobicContact CE1-CB 3.86Å; F24-R39 HydrophobicContact CE1-CG 3.85Å; F24-I48 HydrophobicContact CB-CD1 4.06Å; F24-I48 HydrophobicContact CD1-CD1 3.38Å; F24-I48 HydrophobicContact CD2-CD1 4.37Å; F24-I48 HydrophobicContact CE1-CD1 3.93Å; F24-I48 HydrophobicContact CG-CD1 3.65Å; F24-I53 HydrophobicContact CD2-CG2 4.39Å
25	L	89.8	Confident	87.3	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	165.6	-175.6	71.7	0	0	0	108.7	L27 G37 S38 V64 I68 L97	L25-L27 HydrophobicContact CD2-CD2 4.02Å; L25-L27 HydrophobicContact CG-CD2 4.28Å; L25-G37 CarbonylContact O-C 3.46Å; L25-G37 WeakPolarHBondContact O-CA 3.26Å; L25-S38 PolarHBondContact N-O 3.3Å; L25-S38 PolarHBondContact O-N 3.35Å; L25-V64 HydrophobicContact CD1-CG1 3.96Å; L25-I68 HydrophobicContact CD2-CB 4.43Å; L25-I68 HydrophobicContact CD2-CD1 4.24Å; L25-I68 HydrophobicContact CD2-CG1 3.31Å; L25-L97 HydrophobicContact CD2-CD2 4.41Å
26	I	90.4	Very high	87.5	Confident	21 Å²	21	56.1 Å²	56.1	11%	0.108	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	121.1	180	-59.8	-60.1	0	0	0	108.9	Y2 R29 W35 I53	Y2-I26 HydrophobicContact CD2-CB 4.15Å; Y2-I26 HydrophobicContact CD2-CD1 4.41Å; Y2-I26 HydrophobicContact CD2-CG1 3.28Å; Y2-I26 HydrophobicContact CE2-CB 4.04Å; Y2-I26 HydrophobicContact CE2-CG1 3.55Å; Y2-I26 HydrophobicContact CG-CG1 3.95Å; I26-R29 HydrophobicContact CG2-CG 4.16Å; I26-W35 HydrophobicContact CD1-CB 4.31Å; I26-W35 HydrophobicContact CD1-CE3 4.24Å; I26-W35 HydrophobicContact CG1-CE3 4.21Å; I26-W35 HydrophobicContact CG2-CB 4.15Å; I26-W35 HydrophobicContact CG2-CE3 4.27Å; I26-I53 HydrophobicContact CD1-CD1 3.77Å; I26-I53 HydrophobicContact CG1-CD1 4.38Å
27	L	85.8	Confident	87.6	Confident	28 Å²	28	55.9 Å²	55.9	15%	0.147	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-38.3	-178.2	-54.7	179.5	0	0	0	111	L25 L36 T45 V93 L97	L25-L27 HydrophobicContact CD2-CD2 4.02Å; L25-L27 HydrophobicContact CG-CD2 4.28Å; L27-L36 HydrophobicContact CB-CG 4.5Å; L27-L36 PolarHBondContact N-O 3.28Å; L27-T45 HydrophobicContact CD1-CG2 4.47Å; L27-V93 HydrophobicContact CD1-CG1 3.7Å; L27-L97 HydrophobicContact CD1-CD2 4.03Å; L27-L97 HydrophobicContact CD1-CG 4Å; L27-L97 HydrophobicContact CD2-CD2 3.42Å; L27-L97 VanDerWaalsContact CD2-CD2 3.42Å; L27-L97 HydrophobicContact CD2-CG 4.01Å; L27-L97 HydrophobicContact CG-CD2 4.38Å
28	E	86.6	Confident	87.7	Confident	70 Å²	70	51.8 Å²	51.8	33%	0.327	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	143.6	179.8	-164.5	-162.9	121.3	0	0	111.4	S30 W35 L36 K96	E28-S30 VanDerWaalsContact CD-OG 3.3Å; E28-S30 PolarHBondContact O-N 3.33Å; E28-S30 WeakPolarHBondContact OE1-CA 3.46Å; E28-S30 WeakPolarHBondContact OE1-CB 3.18Å; E28-S30 PolarHBondContact OE1-OG 2.9Å; E28-W35 CarbonylContact O-C 3.55Å; E28-W35 WeakPolarHBondContact O-CA 3.29Å; E28-W35 WeakPolarHBondContact O-CB 3.27Å; E28-L36 HydrophobicContact CB-CB 4.11Å; E28-L36 PolarHBondContact N-O 2.95Å; E28-L36 PolarHBondContact O-N 2.91Å; E28-K96 VanDerWaalsContact OE2-CE 3.3Å; E28-K96 WeakPolarHBondContact OE2-CE 3.15Å; E28-K96 IonicContact OE2-NZ 3.61Å; E28-K96 PolarHBondContact OE2-NZ 3.29Å
29	R	87.7	Confident	87.7	Confident	159 Å²	159	52.8 Å²	52.8	60%	0.6	27%	0.274	S	S	*	.			trans	-99.8	70.5	173.5	-58	178	91.3	-176.3	6.7	109.8	I26 N31 W35	I26-R29 HydrophobicContact CG2-CG 4.16Å; R29-N31 VanDerWaalsContact C-N 3.31Å; R29-N31 PolarHBondContact O-N 3.11Å; R29-W35 HydrophobicContact CB-CD2 4.47Å; R29-W35 HydrophobicContact CB-CG 4.19Å; R29-W35 HydrophobicContact CG-CD2 4.04Å; R29-W35 HydrophobicContact CG-CG 4.12Å
30	S	83.8	Confident	87.5	Confident	43 Å²	43	51.1 Å²	51.1	30%	0.301	26%	0.259	S	S	.	.			trans	-59.1	-36.1	-168.9	-54.6	0	0	0	0	114.1	E28	E28-S30 VanDerWaalsContact CD-OG 3.3Å; E28-S30 PolarHBondContact O-N 3.33Å; E28-S30 WeakPolarHBondContact OE1-CA 3.46Å; E28-S30 WeakPolarHBondContact OE1-CB 3.18Å; E28-S30 PolarHBondContact OE1-OG 2.9Å
31	N	82.4	Confident	87.3	Confident	79 Å²	79	51.7 Å²	51.7	42%	0.422	26%	0.26	S	S	.	.	S	Bend	trans	-150.4	-176.6	167.7	66.1	54.1	0	0	0	112.5	R29 H33 W34 W35	R29-N31 VanDerWaalsContact C-N 3.31Å; R29-N31 PolarHBondContact O-N 3.11Å; N31-H33 PolarHBondContact O-N 2.93Å; N31-H33 WeakPolarHBondContact OD1-CA 3.43Å; N31-H33 PolarHBondContact OD1-N 3.14Å; N31-W34 PolarHBondContact N-O 3.41Å; N31-W34 VanDerWaalsContact N-O 3.09Å; N31-W34 PolarHBondContact OD1-N 3.02Å; N31-W35 VanDerWaalsContact O-CD1 3.23Å; N31-W35 PolarHBondContact O-NE1 3.46Å; N31-W35 VanDerWaalsContact O-NE1 3.08Å
32	K	77.4	Confident	87.1	Confident	184 Å²	184	52.1 Å²	52.1	80%	0.8	26%	0.256	S	S	*	.	S	Bend	trans	-61.7	-23.7	-177.8	-69.7	-175	-179.7	179.4	0	113.8
33	H	84.8	Confident	86.6	Confident	129 Å²	129	49.8 Å²	49.8	60%	0.597	25%	0.245	S	C	*	.	S	Bend	trans	-114.4	-25.4	-172.6	-59.9	-62.2	0	0	0	113.6	N31 P49 A50	N31-H33 PolarHBondContact O-N 2.93Å; N31-H33 WeakPolarHBondContact OD1-CA 3.43Å; N31-H33 PolarHBondContact OD1-N 3.14Å; H33-P49 CarbonylContact O-C 3.59Å; H33-P49 VanDerWaalsContact O-CA 3.25Å; H33-P49 WeakPolarHBondContact O-CA 3.37Å; H33-A50 PolarHBondContact O-N 3.15Å
34	W	89.1	Confident	86.4	Confident	75 Å²	75	52.4 Å²	52.4	28%	0.284	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.6	-172.8	-63.1	95.1	0	0	0	111.3	F8 N31 Y47 P49	F8-W34 HydrophobicContact CE1-CH2 4.43Å; F8-W34 HydrophobicContact CE1-CZ3 4.11Å; F8-W34 AromaticContact CE2-CH2 3.98Å; F8-W34 HydrophobicContact CE2-CH2 3.98Å; F8-W34 HydrophobicContact CE2-CZ3 4.33Å; F8-W34 AromaticContact CZ-CH2 3.49Å; F8-W34 HydrophobicContact CZ-CH2 3.49Å; F8-W34 VanDerWaalsContact CZ-CH2 3.49Å; F8-W34 AromaticContact CZ-CZ3 3.59Å; F8-W34 HydrophobicContact CZ-CZ3 3.59Å; N31-W34 PolarHBondContact N-O 3.41Å; N31-W34 VanDerWaalsContact N-O 3.09Å; N31-W34 PolarHBondContact OD1-N 3.02Å; W34-Y47 HydrophobicContact CB-CD1 4.49Å; W34-P49 HydrophobicContact CE3-CG 4.09Å; W34-P49 HydrophobicContact CH2-CG 3.94Å; W34-P49 HydrophobicContact CZ3-CG 3.61Å
35	W	91.9	Very high	86.3	Confident	25 Å²	25	54.6 Å²	54.6	10%	0.095	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.8	177.8	-59.7	-13.3	0	0	0	109.9	Y2 I26 E28 R29 N31 Y47 I48 A50 I53	Y2-W35 HydrophobicContact CD1-CZ3 4.29Å; Y2-W35 AromaticContact CE1-CZ3 3.77Å; Y2-W35 HydrophobicContact CE1-CZ3 3.77Å; I26-W35 HydrophobicContact CD1-CB 4.31Å; I26-W35 HydrophobicContact CD1-CE3 4.24Å; I26-W35 HydrophobicContact CG1-CE3 4.21Å; I26-W35 HydrophobicContact CG2-CB 4.15Å; I26-W35 HydrophobicContact CG2-CE3 4.27Å; E28-W35 CarbonylContact O-C 3.55Å; E28-W35 WeakPolarHBondContact O-CA 3.29Å; E28-W35 WeakPolarHBondContact O-CB 3.27Å; R29-W35 HydrophobicContact CB-CD2 4.47Å; R29-W35 HydrophobicContact CB-CG 4.19Å; R29-W35 HydrophobicContact CG-CD2 4.04Å; R29-W35 HydrophobicContact CG-CG 4.12Å; N31-W35 VanDerWaalsContact O-CD1 3.23Å; N31-W35 PolarHBondContact O-NE1 3.46Å; N31-W35 VanDerWaalsContact O-NE1 3.08Å; W35-Y47 CarbonylContact O-C 3.45Å; W35-Y47 WeakPolarHBondContact O-CA 3.37Å; W35-I48 PolarHBondContact N-O 3.25Å; W35-I48 PolarHBondContact O-N 3.14Å; W35-A50 HydrophobicContact CD2-CB 3.8Å; W35-A50 HydrophobicContact CE3-CB 4.3Å; W35-A50 HydrophobicContact CG-CB 4.3Å; W35-A50 HydrophobicContact CH2-CB 3.92Å; W35-A50 HydrophobicContact CZ2-CB 3.43Å; W35-A50 VanDerWaalsContact CZ2-CB 3.43Å; W35-A50 HydrophobicContact CZ3-CB 4.35Å; W35-I53 HydrophobicContact CE3-CD1 3.6Å; W35-I53 HydrophobicContact CE3-CG1 4.49Å; W35-I53 HydrophobicContact CZ3-CD1 3.81Å; W35-I53 HydrophobicContact CZ3-CG1 4.31Å
36	L	89.3	Confident	86.2	Confident	9 Å²	9	54.8 Å²	54.8	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123	173.9	-176.8	65	0	0	0	108.9	L27 E28 Y47 V93	L27-L36 HydrophobicContact CB-CG 4.5Å; L27-L36 PolarHBondContact N-O 3.28Å; E28-L36 HydrophobicContact CB-CB 4.11Å; E28-L36 PolarHBondContact N-O 2.95Å; E28-L36 PolarHBondContact O-N 2.91Å; L36-Y47 HydrophobicContact CB-CD1 4.26Å; L36-Y47 HydrophobicContact CB-CE1 4.01Å; L36-Y47 HydrophobicContact CD1-CD1 4.49Å; L36-Y47 HydrophobicContact CD1-CE1 4.36Å; L36-Y47 HydrophobicContact CD1-CE2 4.44Å; L36-V93 HydrophobicContact CD2-CG2 4.01Å
37	G	89.8	Confident	86.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161	-179.8	0	0	0	0	0	113.5	L25 T45 G46	L25-G37 CarbonylContact O-C 3.46Å; L25-G37 WeakPolarHBondContact O-CA 3.26Å; G37-T45 WeakPolarHBondContact O-CA 3.21Å; G37-G46 PolarHBondContact N-O 3.37Å; G37-G46 PolarHBondContact O-N 3.33Å
38	S	89.9	Confident	86.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.1	172	-176.9	0	0	0	0	110.6	F24 L25 C40 G43 E44 A71	F24-S38 CarbonylContact C-O 3.51Å; F24-S38 VanDerWaalsContact CA-O 3.27Å; F24-S38 WeakPolarHBondContact CA-O 3.41Å; L25-S38 PolarHBondContact N-O 3.3Å; L25-S38 PolarHBondContact O-N 3.35Å; S38-C40 PolarHBondContact O-N 3.46Å; S38-G43 PolarHBondContact OG-O 3.06Å; S38-E44 CarbonylContact C-O 3.54Å; S38-E44 WeakPolarHBondContact CA-O 3.45Å; S38-A71 WeakPolarHBondContact OG-CB 3.38Å
39	R	89.5	Confident	86.7	Confident	32 Å²	32	53.3 Å²	53.3	12%	0.121	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.8	175.3	-169.8	-172.8	-61.1	115.8	2	110	L16 H17 E22 F24 S41 S42 G43 E44	L16-R39 HydrophobicContact CD2-CB 4.33Å; H17-R39 PolarHBondContact O-NH2 3.04Å; E22-R39 VanDerWaalsContact OE2-CD 3.29Å; E22-R39 WeakPolarHBondContact OE2-CD 3.43Å; E22-R39 IonicContact OE2-CZ 3.35Å; E22-R39 IonicContact OE2-NE 2.69Å; E22-R39 PolarHBondContact OE2-NE 2.99Å; F24-R39 HydrophobicContact CD1-CB 4.08Å; F24-R39 HydrophobicContact CD1-CG 4.35Å; F24-R39 HydrophobicContact CE1-CB 3.86Å; F24-R39 HydrophobicContact CE1-CG 3.85Å; R39-S41 WeakPolarHBondContact CD-OG 3.37Å; R39-S41 WeakPolarHBondContact CG-OG 3.38Å; R39-S41 PolarHBondContact O-N 3.01Å; R39-S41 VanDerWaalsContact O-N 3.09Å; R39-S42 WeakPolarHBondContact CD-OG 3.47Å; R39-S42 PolarHBondContact NH1-OG 3.37Å; R39-S42 PolarHBondContact O-N 3.47Å; R39-S42 VanDerWaalsContact O-N 3.16Å; R39-G43 WeakPolarHBondContact O-CA 3.41Å; R39-G43 PolarHBondContact O-N 3.06Å; R39-E44 IonicContact CZ-OE2 3.6Å; R39-E44 PolarHBondContact N-O 3.28Å; R39-E44 IonicContact NH1-OE2 2.78Å; R39-E44 PolarHBondContact NH1-OE2 2.87Å; R39-E44 IonicContact NH2-OE2 3.96Å; R39-E44 PolarHBondContact NH2-OE2 3.49Å
40	C	85.9	Confident	86.8	Confident	14 Å²	14	46.5 Å²	46.5	10%	0.095	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30	-175.1	-61.1	0	0	0	0	113.6	T23 S38 S67 R70	T23-C40 PolarHBondContact O-N 2.87Å; T23-C40 WeakPolarHBondContact OG1-CB 3.45Å; S38-C40 PolarHBondContact O-N 3.46Å; C40-S67 WeakPolarHBondContact CA-OG 3.2Å; C40-S67 WeakPolarHBondContact CB-OG 3.43Å; C40-S67 PolarHBondContact SG-OG 3.01Å; C40-R70 WeakPolarHBondContact O-CD 3.4Å
41	S	83.3	Confident	87	Confident	73 Å²	73	48.6 Å²	48.6	51%	0.51	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.4	-178.2	60	0	0	0	0	114.3	R39 R70	R39-S41 WeakPolarHBondContact CD-OG 3.37Å; R39-S41 WeakPolarHBondContact CG-OG 3.38Å; R39-S41 PolarHBondContact O-N 3.01Å; R39-S41 VanDerWaalsContact O-N 3.09Å; S41-R70 WeakPolarHBondContact O-CD 3.13Å; S41-R70 PolarHBondContact O-NH1 2.82Å
42	S	80.3	Confident	87.3	Confident	53 Å²	53	48.8 Å²	48.8	37%	0.371	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-16	-169.9	61.4	0	0	0	0	114.5	R39 E44	R39-S42 WeakPolarHBondContact CD-OG 3.47Å; R39-S42 PolarHBondContact NH1-OG 3.37Å; R39-S42 PolarHBondContact O-N 3.47Å; R39-S42 VanDerWaalsContact O-N 3.16Å; S42-E44 PolarHBondContact O-N 3.43Å
43	G	81.1	Confident	88	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.213	C	C	.	.			trans	77.3	-0.4	-175.3	0	0	0	0	0	115.1	S38 R39 A71	S38-G43 PolarHBondContact OG-O 3.06Å; R39-G43 WeakPolarHBondContact O-CA 3.41Å; R39-G43 PolarHBondContact O-N 3.06Å; G43-A71 VanDerWaalsContact CA-CA 3.47Å; G43-A71 WeakPolarHBondContact O-CA 3.38Å
44	E	85.5	Confident	88.2	Confident	103 Å²	103	39.8 Å²	39.8	48%	0.481	21%	0.209	S	C	.	.			trans	-65.4	133.1	178.5	-167.5	-177.4	-165.9	0	0	111.5	L16 S38 R39 S42	L16-E44 HydrophobicContact CD1-CB 4.11Å; L16-E44 VanDerWaalsContact CD1-CD 3.44Å; L16-E44 HydrophobicContact CD1-CG 3.57Å; S38-E44 CarbonylContact C-O 3.54Å; S38-E44 WeakPolarHBondContact CA-O 3.45Å; R39-E44 IonicContact CZ-OE2 3.6Å; R39-E44 PolarHBondContact N-O 3.28Å; R39-E44 IonicContact NH1-OE2 2.78Å; R39-E44 PolarHBondContact NH1-OE2 2.87Å; R39-E44 IonicContact NH2-OE2 3.96Å; R39-E44 PolarHBondContact NH2-OE2 3.49Å; S42-E44 PolarHBondContact O-N 3.43Å
45	T	87.9	Confident	88.1	Confident	45 Å²	45	43.2 Å²	43.2	28%	0.276	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.6	-175	60.3	0	0	0	0	112	L27 G37 I75 V93	L27-T45 HydrophobicContact CD1-CG2 4.47Å; G37-T45 WeakPolarHBondContact O-CA 3.21Å; T45-I75 HydrophobicContact CG2-CD1 4.27Å; T45-V93 HydrophobicContact CG2-CG1 3.82Å
46	G	88.8	Confident	87.8	Confident	7 Å²	7	44.6 Å²	44.6	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-179.8	174.3	0	0	0	0	0	113	G37	G37-G46 PolarHBondContact N-O 3.37Å; G37-G46 PolarHBondContact O-N 3.33Å
47	Y	90.6	Very high	86.5	Confident	80 Å²	80	53.4 Å²	53.4	31%	0.314	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134	-179	-71.2	-78.3	0	0	0	112.3	N14 L16 W34 W35 L36	N14-Y47 HydrophobicContact CB-CD2 4.08Å; N14-Y47 HydrophobicContact CB-CE2 4.43Å; N14-Y47 WeakPolarHBondContact O-CD2 3.26Å; N14-Y47 PolarHBondContact O-N 3.45Å; L16-Y47 PolarHBondContact N-O 2.84Å; W34-Y47 HydrophobicContact CB-CD1 4.49Å; W35-Y47 CarbonylContact O-C 3.45Å; W35-Y47 WeakPolarHBondContact O-CA 3.37Å; L36-Y47 HydrophobicContact CB-CD1 4.26Å; L36-Y47 HydrophobicContact CB-CE1 4.01Å; L36-Y47 HydrophobicContact CD1-CD1 4.49Å; L36-Y47 HydrophobicContact CD1-CE1 4.36Å; L36-Y47 HydrophobicContact CD1-CE2 4.44Å
48	I	92	Very high	85.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.6	-174.7	-61.6	169.3	0	0	0	109.2	L16 F18 F24 W35 A50 I53	L16-I48 HydrophobicContact CB-CG1 4.05Å; L16-I48 HydrophobicContact CD2-CD1 3.91Å; L16-I48 HydrophobicContact CD2-CG1 4.13Å; F18-I48 HydrophobicContact CE1-CB 4.21Å; F18-I48 HydrophobicContact CE1-CG1 4.07Å; F18-I48 HydrophobicContact CE1-CG2 3.56Å; F18-I48 HydrophobicContact CZ-CG2 3.68Å; F24-I48 HydrophobicContact CB-CD1 4.06Å; F24-I48 HydrophobicContact CD1-CD1 3.38Å; F24-I48 HydrophobicContact CD2-CD1 4.37Å; F24-I48 HydrophobicContact CE1-CD1 3.93Å; F24-I48 HydrophobicContact CG-CD1 3.65Å; W35-I48 PolarHBondContact N-O 3.25Å; W35-I48 PolarHBondContact O-N 3.14Å; I48-A50 PolarHBondContact O-N 2.98Å; I48-I53 HydrophobicContact CG2-CD1 4.14Å; I48-I53 HydrophobicContact CG2-CG2 3.71Å
49	P	90.4	Very high	84	Confident	9 Å²	9	59.9 Å²	59.9	6%	0.058	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	125.2	174.2	-19.1	29.5	0	0	0	112.6	F8 H33 W34 S51 Y52	F8-P49 HydrophobicContact CD1-CG 4.21Å; F8-P49 HydrophobicContact CD2-CG 3.58Å; F8-P49 HydrophobicContact CE1-CG 4.12Å; F8-P49 HydrophobicContact CE2-CG 3.46Å; F8-P49 VanDerWaalsContact CE2-CG 3.46Å; F8-P49 HydrophobicContact CG-CG 3.97Å; F8-P49 HydrophobicContact CZ-CG 3.76Å; H33-P49 CarbonylContact O-C 3.59Å; H33-P49 VanDerWaalsContact O-CA 3.25Å; H33-P49 WeakPolarHBondContact O-CA 3.37Å; W34-P49 HydrophobicContact CE3-CG 4.09Å; W34-P49 HydrophobicContact CH2-CG 3.94Å; W34-P49 HydrophobicContact CZ3-CG 3.61Å; P49-S51 VanDerWaalsContact C-N 3.25Å; P49-S51 PolarHBondContact O-N 3.43Å; P49-Y52 HydrophobicContact CB-CD2 3.79Å; P49-Y52 HydrophobicContact CB-CE2 4.49Å; P49-Y52 HydrophobicContact CB-CG 4.15Å; P49-Y52 HydrophobicContact CG-CD2 4.39Å; P49-Y52 HydrophobicContact CG-CG 4.48Å; P49-Y52 PolarHBondContact O-N 3.29Å
50	A	88.2	Confident	83.2	Confident	16 Å²	16	64.7 Å²	64.7	13%	0.132	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32.1	-179.6	0	0	0	0	0	113.5	H33 W35 I48 Y52 I53	H33-A50 PolarHBondContact O-N 3.15Å; W35-A50 HydrophobicContact CD2-CB 3.8Å; W35-A50 HydrophobicContact CE3-CB 4.3Å; W35-A50 HydrophobicContact CG-CB 4.3Å; W35-A50 HydrophobicContact CH2-CB 3.92Å; W35-A50 HydrophobicContact CZ2-CB 3.43Å; W35-A50 VanDerWaalsContact CZ2-CB 3.43Å; W35-A50 HydrophobicContact CZ3-CB 4.35Å; I48-A50 PolarHBondContact O-N 2.98Å; A50-Y52 PolarHBondContact O-N 2.89Å; A50-I53 WeakPolarHBondContact O-CG1 3.48Å
51	S	89.4	Confident	82.6	Confident	87 Å²	87	66.9 Å²	66.9	61%	0.608	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-73.8	-11.2	178.6	50.2	0	0	0	0	113.9	P49	P49-S51 VanDerWaalsContact C-N 3.25Å; P49-S51 PolarHBondContact O-N 3.43Å
52	Y	89.1	Confident	82.2	Confident	82 Å²	82	68.1 Å²	68.1	32%	0.322	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-97.2	-3.6	-176.4	-81.7	-124.1	0	0	0	112.7	S4 L5 F8 P49 A50	S4-Y52 CarbonylContact C-O 3.59Å; S4-Y52 WeakPolarHBondContact CA-O 3.38Å; L5-Y52 PolarHBondContact N-O 3.43Å; F8-Y52 HydrophobicContact CB-CD1 3.93Å; F8-Y52 HydrophobicContact CB-CE1 4.24Å; F8-Y52 HydrophobicContact CD2-CD1 4.46Å; F8-Y52 HydrophobicContact CD2-CE1 4.3Å; P49-Y52 HydrophobicContact CB-CD2 3.79Å; P49-Y52 HydrophobicContact CB-CE2 4.49Å; P49-Y52 HydrophobicContact CB-CG 4.15Å; P49-Y52 HydrophobicContact CG-CD2 4.39Å; P49-Y52 HydrophobicContact CG-CG 4.48Å; P49-Y52 PolarHBondContact O-N 3.29Å; A50-Y52 PolarHBondContact O-N 2.89Å
53	I	90.7	Very high	82.1	Confident	15 Å²	15	70.4 Å²	70.4	8%	0.077	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.7	-171	57.9	172.6	0	0	0	111.7	Y2 R3 F24 I26 W35 I48 A50	Y2-I53 HydrophobicContact CD1-CD1 4.19Å; Y2-I53 HydrophobicContact CD1-CG1 4.34Å; Y2-I53 HydrophobicContact CG-CD1 4.3Å; R3-I53 CarbonylContact O-C 3.43Å; R3-I53 VanDerWaalsContact O-CA 3.31Å; R3-I53 WeakPolarHBondContact O-CA 3.27Å; F24-I53 HydrophobicContact CD2-CG2 4.39Å; I26-I53 HydrophobicContact CD1-CD1 3.77Å; I26-I53 HydrophobicContact CG1-CD1 4.38Å; W35-I53 HydrophobicContact CE3-CD1 3.6Å; W35-I53 HydrophobicContact CE3-CG1 4.49Å; W35-I53 HydrophobicContact CZ3-CD1 3.81Å; W35-I53 HydrophobicContact CZ3-CG1 4.31Å; I48-I53 HydrophobicContact CG2-CD1 4.14Å; I48-I53 HydrophobicContact CG2-CG2 3.71Å; A50-I53 WeakPolarHBondContact O-CG1 3.48Å
54	E	89.6	Confident	82.1	Confident	110 Å²	110	71.1 Å²	71.1	51%	0.514	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142.1	177.6	-174.7	176.8	-157.5	0	0	110.3	Y2 R3 L5 L56	Y2-E54 CarbonylContact C-O 3.54Å; Y2-E54 WeakPolarHBondContact CA-O 3.36Å; Y2-E54 WeakPolarHBondContact CB-O 3.15Å; R3-E54 PolarHBondContact N-O 2.95Å; R3-E54 PolarHBondContact O-N 2.8Å; L5-E54 HydrophobicContact CD1-CB 4.13Å; L5-E54 HydrophobicContact CD2-CB 4.15Å; L5-E54 HydrophobicContact CG-CB 4.09Å; E54-L56 PolarHBondContact O-N 2.99Å
55	K	87.4	Confident	82	Confident	147 Å²	147	67 Å²	67	64%	0.639	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.3	178.8	-171.6	178.7	177.4	-176.2	0	109.9	Y2	Y2-K55 VanDerWaalsContact CD1-CA 3.49Å; Y2-K55 HydrophobicContact CD1-CB 3.94Å; Y2-K55 HydrophobicContact CE1-CB 3.59Å; Y2-K55 HydrophobicContact CE1-CG 4.06Å
56	L	84.4	Confident	81.8	Confident	53 Å²	53	70.5 Å²	70.5	28%	0.277	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-73.8	130.5	172.5	-68.6	173.8	0	0	0	109.9	M1 R3 T23 E54 A58	M1-L56 HydrophobicContact CB-CD1 4.04Å; M1-L56 PolarHBondContact O-N 3.19Å; R3-L56 HydrophobicContact CB-CD1 4.33Å; R3-L56 HydrophobicContact CB-CD2 3.86Å; R3-L56 HydrophobicContact CB-CG 4.11Å; T23-L56 HydrophobicContact CG2-CD1 4.02Å; E54-L56 PolarHBondContact O-N 2.99Å; L56-A58 PolarHBondContact O-N 2.9Å
57	Q	63.3	Low	81.6	Confident	194 Å²	194	70.4 Å²	70.4	91%	0.907	36%	0.361	S	S	*	.	S	Bend	trans	-77.8	118.8	173	-66.8	-170.6	-2.9	0	0	108.9
58	A	60.2	Low	81.3	Confident	94 Å²	94	66.6 Å²	66.6	78%	0.777	35%	0.346	S	S	*	.			trans	56	66	175.3	0	0	0	0	0	116.4	L56	L56-A58 PolarHBondContact O-N 2.9Å
59	P	66.4	Low	81	Confident	42 Å²	42	69.3 Å²	69.3	27%	0.273	36%	0.36	S	S	.	.			trans	-63.6	138.3	161.9	29	-32.5	0	0	0	109.8	M1 Q61 V64	M1-P59 HydrophobicContact CB-CB 4.25Å; M1-P59 HydrophobicContact CB-CG 4.24Å; M1-P59 HydrophobicContact CE-CB 4.35Å; M1-P59 HydrophobicContact CG-CB 4.08Å; M1-P59 HydrophobicContact CG-CG 4.29Å; M1-P59 HydrophobicContact SD-CB 4.16Å; P59-Q61 PolarHBondContact O-N 2.88Å; P59-V64 HydrophobicContact CB-CG2 4.05Å; P59-V64 HydrophobicContact CG-CG2 4.05Å
60	E	72.9	Confident	80.8	Confident	133 Å²	133	73.3 Å²	73.3	62%	0.621	37%	0.374	S	S	*	.			trans	-61.3	138.9	173.4	-68.4	-168.5	167.1	0	0	109.5	D62 E63 V64	E60-D62 PolarHBondContact O-N 3.4Å; E60-E63 HydrophobicContact CB-CG 4.14Å; E60-E63 WeakPolarHBondContact O-CB 3.44Å; E60-E63 PolarHBondContact O-N 3.29Å; E60-V64 PolarHBondContact O-N 3.49Å
61	Q	73.2	Confident	80.5	Confident	61 Å²	61	72.5 Å²	72.5	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-29.4	-174.3	-163.2	167	2.3	0	0	112	P59 V64 L65 T104 R108	P59-Q61 PolarHBondContact O-N 2.88Å; Q61-V64 PolarHBondContact O-N 2.91Å; Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.08Å; Q61-L65 VanDerWaalsContact O-N 3.07Å; Q61-T104 HydrophobicContact CG-CG2 3.7Å; Q61-T104 PolarHBondContact NE2-O 3.42Å; Q61-R108 VanDerWaalsContact NE2-N 3.15Å
62	D	74.1	Confident	80.3	Confident	98 Å²	98	69.8 Å²	69.8	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-70	-36.1	175.4	-70.5	-17.4	0	0	0	112.4	E60 V64 L65 Q66	E60-D62 PolarHBondContact O-N 3.4Å; D62-V64 VanDerWaalsContact C-N 3.31Å; D62-V64 PolarHBondContact O-N 3Å; D62-L65 PolarHBondContact O-N 3.08Å; D62-Q66 WeakPolarHBondContact O-CB 3.46Å; D62-Q66 PolarHBondContact O-N 2.69Å
63	E	79.2	Confident	80.2	Confident	102 Å²	102	71.6 Å²	71.6	48%	0.477	36%	0.358	S	S	.	.	H	α-helix	trans	-66.5	-35.7	173.8	-64.3	-176.2	154.1	0	0	111.3	M1 E60 S67	M1-E63 HydrophobicContact CE-CB 3.65Å; M1-E63 WeakPolarHBondContact CE-O 3.34Å; E60-E63 HydrophobicContact CB-CG 4.14Å; E60-E63 WeakPolarHBondContact O-CB 3.44Å; E60-E63 PolarHBondContact O-N 3.29Å; E63-S67 WeakPolarHBondContact O-CB 3.4Å; E63-S67 PolarHBondContact O-N 2.98Å
64	V	81.6	Confident	79.8	Confident	15 Å²	15	71.9 Å²	71.9	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-47.1	175.9	179.8	0	0	0	0	110.4	M1 L25 P59 E60 Q61 D62 S67 I68 T104	M1-V64 VanDerWaalsContact CE-CA 3.45Å; M1-V64 HydrophobicContact CE-CB 4.18Å; M1-V64 HydrophobicContact CE-CG2 3.7Å; M1-V64 VanDerWaalsContact CE-N 3.29Å; M1-V64 HydrophobicContact CG-CG2 4.2Å; L25-V64 HydrophobicContact CD1-CG1 3.96Å; P59-V64 HydrophobicContact CB-CG2 4.05Å; P59-V64 HydrophobicContact CG-CG2 4.05Å; E60-V64 PolarHBondContact O-N 3.49Å; Q61-V64 PolarHBondContact O-N 2.91Å; D62-V64 VanDerWaalsContact C-N 3.31Å; D62-V64 PolarHBondContact O-N 3Å; V64-S67 WeakPolarHBondContact O-CB 3.33Å; V64-S67 PolarHBondContact O-N 3.3Å; V64-I68 HydrophobicContact CG1-CD1 4.04Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.17Å; V64-I68 PolarHBondContact O-N 3.44Å; V64-T104 HydrophobicContact CB-CG2 4.37Å; V64-T104 HydrophobicContact CG1-CG2 4.08Å
65	L	82.4	Confident	79.6	Confident	16 Å²	16	67 Å²	67	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-44	177.5	-71.7	169.1	0	0	0	111.9	Q61 D62 S67 I68 D69 R101 T104 L105	Q61-L65 WeakPolarHBondContact O-CG 3.36Å; Q61-L65 PolarHBondContact O-N 3.08Å; Q61-L65 VanDerWaalsContact O-N 3.07Å; D62-L65 PolarHBondContact O-N 3.08Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.32Å; L65-I68 WeakPolarHBondContact O-CB 3.39Å; L65-I68 PolarHBondContact O-N 3.46Å; L65-I68 VanDerWaalsContact O-N 3.15Å; L65-D69 PolarHBondContact O-N 3.13Å; L65-R101 HydrophobicContact CD2-CG 4.1Å; L65-T104 HydrophobicContact CD1-CG2 4.48Å; L65-T104 HydrophobicContact CD2-CG2 3.8Å; L65-T104 HydrophobicContact CG-CG2 3.82Å; L65-L105 HydrophobicContact CD1-CD2 3.76Å; L65-L105 HydrophobicContact CD1-CG 4.45Å; L65-L105 HydrophobicContact CD2-CD2 4.04Å; L65-L105 HydrophobicContact CD2-CG 3.86Å
66	Q	83.2	Confident	79.4	Confident	120 Å²	120	61.1 Å²	61.1	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-64.3	-34.7	178.1	-167.6	176.4	57.8	0	0	112.5	D62 R70	D62-Q66 WeakPolarHBondContact O-CB 3.46Å; D62-Q66 PolarHBondContact O-N 2.69Å; Q66-R70 WeakPolarHBondContact O-CB 3.21Å; Q66-R70 PolarHBondContact O-N 2.62Å; Q66-R70 VanDerWaalsContact O-N 3.1Å
67	S	84.7	Confident	79.4	Confident	5 Å²	5	63.1 Å²	63.1	4%	0.035	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-41.2	172.9	177	0	0	0	0	112.1	C40 E63 V64 L65 R70 A71	C40-S67 WeakPolarHBondContact CA-OG 3.2Å; C40-S67 WeakPolarHBondContact CB-OG 3.43Å; C40-S67 PolarHBondContact SG-OG 3.01Å; E63-S67 WeakPolarHBondContact O-CB 3.4Å; E63-S67 PolarHBondContact O-N 2.98Å; V64-S67 WeakPolarHBondContact O-CB 3.33Å; V64-S67 PolarHBondContact O-N 3.3Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.32Å; S67-R70 PolarHBondContact O-N 3.37Å; S67-A71 WeakPolarHBondContact O-CB 3.4Å; S67-A71 PolarHBondContact O-N 3.33Å
68	I	84.8	Confident	80.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-47.6	176	-65.1	163.1	0	0	0	111	L25 V64 L65 R70 A71 I72 L97 H100 R101	L25-I68 HydrophobicContact CD2-CB 4.43Å; L25-I68 HydrophobicContact CD2-CD1 4.24Å; L25-I68 HydrophobicContact CD2-CG1 3.31Å; V64-I68 HydrophobicContact CG1-CD1 4.04Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.17Å; V64-I68 PolarHBondContact O-N 3.44Å; L65-I68 WeakPolarHBondContact O-CB 3.39Å; L65-I68 PolarHBondContact O-N 3.46Å; L65-I68 VanDerWaalsContact O-N 3.15Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.05Å; I68-A71 WeakPolarHBondContact O-CB 3.39Å; I68-A71 PolarHBondContact O-N 2.81Å; I68-A71 VanDerWaalsContact O-N 3.16Å; I68-I72 HydrophobicContact CG2-CD1 3.89Å; I68-I72 HydrophobicContact CG2-CG1 4.47Å; I68-I72 WeakPolarHBondContact O-CG1 3.41Å; I68-I72 PolarHBondContact O-N 2.85Å; I68-L97 HydrophobicContact CG2-CB 4.4Å; I68-L97 HydrophobicContact CG2-CD2 4.22Å; I68-L97 WeakPolarHBondContact CG2-O 3.47Å; I68-H100 HydrophobicContact CD1-CB 4.49Å; I68-R101 HydrophobicContact CD1-CB 4.44Å; I68-R101 HydrophobicContact CG2-CB 3.85Å; I68-R101 HydrophobicContact CG2-CG 4.12Å
69	D	85.2	Confident	81.3	Confident	57 Å²	57	52.7 Å²	52.7	31%	0.305	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-40.9	-179.5	-70.6	-23.4	0	0	0	110.9	L65 A71 I72 E73 R101	L65-D69 PolarHBondContact O-N 3.13Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 3.46Å; D69-I72 PolarHBondContact O-N 3.29Å; D69-E73 WeakPolarHBondContact O-CG 3.37Å; D69-E73 PolarHBondContact O-N 2.98Å; D69-R101 IonicContact OD1-CZ 3.86Å; D69-R101 IonicContact OD1-NE 3.53Å; D69-R101 PolarHBondContact OD1-NE 3.4Å; D69-R101 IonicContact OD1-NH2 3.83Å; D69-R101 IonicContact OD2-NH2 3.71Å
70	R	85.9	Confident	82	Confident	92 Å²	92	56.6 Å²	56.6	35%	0.347	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-36.2	175.5	-163.5	178	-57.2	-169.9	5.4	112.9	C40 S41 Q66 S67 I68 G74	C40-R70 WeakPolarHBondContact O-CD 3.4Å; S41-R70 WeakPolarHBondContact O-CD 3.13Å; S41-R70 PolarHBondContact O-NH1 2.82Å; Q66-R70 WeakPolarHBondContact O-CB 3.21Å; Q66-R70 PolarHBondContact O-N 2.62Å; Q66-R70 VanDerWaalsContact O-N 3.1Å; S67-R70 PolarHBondContact O-N 3.37Å; I68-R70 VanDerWaalsContact C-N 3.31Å; I68-R70 PolarHBondContact O-N 3.05Å; R70-G74 PolarHBondContact O-N 3.4Å
71	A	83.2	Confident	82.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-41.6	175.3	0	0	0	0	0	112.3	S38 G43 S67 I68 D69 G74 I75 L97	S38-A71 WeakPolarHBondContact OG-CB 3.38Å; G43-A71 VanDerWaalsContact CA-CA 3.47Å; G43-A71 WeakPolarHBondContact O-CA 3.38Å; S67-A71 WeakPolarHBondContact O-CB 3.4Å; S67-A71 PolarHBondContact O-N 3.33Å; I68-A71 WeakPolarHBondContact O-CB 3.39Å; I68-A71 PolarHBondContact O-N 2.81Å; I68-A71 VanDerWaalsContact O-N 3.16Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 3.46Å; A71-G74 PolarHBondContact O-N 3.2Å; A71-I75 WeakPolarHBondContact O-CG1 3.3Å; A71-I75 PolarHBondContact O-N 3.27Å; A71-I75 VanDerWaalsContact O-N 3.17Å; A71-L97 HydrophobicContact CB-CD1 3.74Å; A71-L97 HydrophobicContact CB-CD2 3.65Å; A71-L97 HydrophobicContact CB-CG 4.39Å
72	I	85.9	Confident	82.5	Confident	30 Å²	30	61 Å²	61	15%	0.154	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-49.7	175	-67.6	170.2	0	0	0	109.6	I68 D69 G74 I75 H76 L94 L97 I98	I68-I72 HydrophobicContact CG2-CD1 3.89Å; I68-I72 HydrophobicContact CG2-CG1 4.47Å; I68-I72 WeakPolarHBondContact O-CG1 3.41Å; I68-I72 PolarHBondContact O-N 2.85Å; D69-I72 PolarHBondContact O-N 3.29Å; I72-G74 VanDerWaalsContact C-N 3.32Å; I72-G74 PolarHBondContact O-N 3.47Å; I72-I75 PolarHBondContact O-N 3.09Å; I72-H76 PolarHBondContact O-N 3.19Å; I72-H76 VanDerWaalsContact O-N 3.12Å; I72-H76 PolarHBondContact O-ND1 2.86Å; I72-L94 HydrophobicContact CB-CD1 4.34Å; I72-L94 HydrophobicContact CG1-CD1 4.02Å; I72-L94 HydrophobicContact CG2-CD1 3.88Å; I72-L97 HydrophobicContact CD1-CB 4.33Å; I72-L97 HydrophobicContact CG1-CB 3.93Å; I72-L97 HydrophobicContact CG1-CD1 4.15Å; I72-I98 HydrophobicContact CD1-CG1 4.47Å
73	E	86.6	Confident	82.5	Confident	120 Å²	120	59.5 Å²	59.5	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-58.8	-40.6	177	-73.9	176.4	-176.5	0	0	112.7	D69 I75 H76 N77	D69-E73 WeakPolarHBondContact O-CG 3.37Å; D69-E73 PolarHBondContact O-N 2.98Å; E73-I75 PolarHBondContact O-N 3.04Å; E73-H76 PolarHBondContact O-N 2.99Å; E73-N77 WeakPolarHBondContact O-CB 3.46Å; E73-N77 PolarHBondContact O-N 3.48Å; E73-N77 PolarHBondContact O-ND2 3.2Å; E73-N77 VanDerWaalsContact O-ND2 3.13Å
74	G	82.8	Confident	82.3	Confident	21 Å²	21	56.9 Å²	56.9	22%	0.216	31%	0.314	C	S	.	.	H	α-helix	trans	-57.7	-46.9	176.5	0	0	0	0	0	112.6	R70 A71 I72 N77 V78	R70-G74 PolarHBondContact O-N 3.4Å; A71-G74 PolarHBondContact O-N 3.2Å; I72-G74 VanDerWaalsContact C-N 3.32Å; I72-G74 PolarHBondContact O-N 3.47Å; G74-N77 PolarHBondContact O-N 3.04Å; G74-V78 WeakPolarHBondContact O-CG2 3.15Å; G74-V78 PolarHBondContact O-N 3.04Å
75	I	84.8	Confident	81.9	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-41.9	178.5	-66.1	169.1	0	0	0	111.2	T45 A71 I72 E73 V78 A79 Y86 Q90 V93 L97	T45-I75 HydrophobicContact CG2-CD1 4.27Å; A71-I75 WeakPolarHBondContact O-CG1 3.3Å; A71-I75 PolarHBondContact O-N 3.27Å; A71-I75 VanDerWaalsContact O-N 3.17Å; I72-I75 PolarHBondContact O-N 3.09Å; E73-I75 PolarHBondContact O-N 3.04Å; I75-V78 PolarHBondContact O-N 3.36Å; I75-A79 PolarHBondContact O-N 3.25Å; I75-Y86 HydrophobicContact CG2-CD1 4.27Å; I75-Y86 HydrophobicContact CG2-CE1 4.44Å; I75-Q90 HydrophobicContact CG2-CB 3.9Å; I75-Q90 HydrophobicContact CG2-CG 4.04Å; I75-V93 HydrophobicContact CD1-CB 4.18Å; I75-V93 HydrophobicContact CD1-CG1 3.64Å; I75-L97 HydrophobicContact CD1-CD1 3.61Å
76	H	82.2	Confident	82	Confident	24 Å²	24	67 Å²	67	11%	0.111	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-42	178.5	-75.3	71.4	0	0	0	112.2	I72 E73 V78 A79 L80 Y86 W419	I72-H76 PolarHBondContact O-N 3.19Å; I72-H76 VanDerWaalsContact O-N 3.12Å; I72-H76 PolarHBondContact O-ND1 2.86Å; E73-H76 PolarHBondContact O-N 2.99Å; H76-V78 VanDerWaalsContact C-N 3.28Å; H76-V78 PolarHBondContact O-N 3.25Å; H76-A79 PolarHBondContact O-N 3.27Å; H76-A79 VanDerWaalsContact O-N 3.16Å; H76-L80 VanDerWaalsContact O-CD1 3.27Å; H76-L80 WeakPolarHBondContact O-CD1 3.4Å; H76-L80 PolarHBondContact O-N 3.36Å; H76-Y86 AromaticContact CD2-CZ 3.89Å; H76-Y86 PolarHBondContact CD2-OH 2.99Å; H76-Y86 AromaticContact NE2-CZ 3.94Å; H76-Y86 PolarHBondContact NE2-OH 3.29Å; H76-Y86 VanDerWaalsContact NE2-OH 3.17Å; H76-W419 AromaticContact CD2-CH2 3.35Å; H76-W419 WeakPolarHBondContact CD2-CH2 3.35Å; H76-W419 AromaticContact CD2-CZ2 3.93Å; H76-W419 AromaticContact NE2-CH2 3.03Å; H76-W419 WeakPolarHBondContact NE2-CH2 3.4Å; H76-W419 AromaticContact NE2-CZ2 3.75Å; H76-W419 AromaticContact NE2-CZ3 3.39Å; H76-W419 WeakPolarHBondContact NE2-CZ3 3.26Å
77	N	84.6	Confident	82	Confident	95 Å²	95	64.9 Å²	64.9	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-63.3	-34.1	177.2	-78.3	-39.2	0	0	0	112.6	E73 G74 K81	E73-N77 WeakPolarHBondContact O-CB 3.46Å; E73-N77 PolarHBondContact O-N 3.48Å; E73-N77 PolarHBondContact O-ND2 3.2Å; E73-N77 VanDerWaalsContact O-ND2 3.13Å; G74-N77 PolarHBondContact O-N 3.04Å; N77-K81 WeakPolarHBondContact O-CG 3.46Å; N77-K81 PolarHBondContact O-N 3.34Å
78	V	81.3	Confident	81.8	Confident	69 Å²	69	71.8 Å²	71.8	42%	0.418	38%	0.383	S	S	.	.	H	α-helix	trans	-70.4	-41.7	173.3	176.4	0	0	0	0	110.9	G74 I75 H76 K81 N82	G74-V78 WeakPolarHBondContact O-CG2 3.15Å; G74-V78 PolarHBondContact O-N 3.04Å; I75-V78 PolarHBondContact O-N 3.36Å; H76-V78 VanDerWaalsContact C-N 3.28Å; H76-V78 PolarHBondContact O-N 3.25Å; V78-K81 PolarHBondContact O-N 3.11Å; V78-N82 PolarHBondContact O-N 3.22Å
79	A	83.5	Confident	81.6	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-39.2	176.8	0	0	0	0	0	112.6	I75 H76 K81 N82 G83 G84 Y86	I75-A79 PolarHBondContact O-N 3.25Å; H76-A79 PolarHBondContact O-N 3.27Å; H76-A79 VanDerWaalsContact O-N 3.16Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-K81 PolarHBondContact O-N 2.99Å; A79-N82 CarbonylContact O-C 3.55Å; A79-N82 PolarHBondContact O-N 3.17Å; A79-G83 PolarHBondContact O-N 3.29Å; A79-G84 WeakPolarHBondContact O-CA 3.48Å; A79-G84 PolarHBondContact O-N 2.87Å; A79-Y86 HydrophobicContact CB-CD1 3.57Å; A79-Y86 HydrophobicContact CB-CE1 3.45Å; A79-Y86 VanDerWaalsContact CB-CE1 3.45Å; A79-Y86 HydrophobicContact CB-CG 4.25Å
80	L	79.9	Confident	81.5	Confident	123 Å²	123	75.7 Å²	75.7	64%	0.644	40%	0.399	S	S	*	.	H	α-helix	trans	-59.6	-41.2	174.8	-101.1	80.3	0	0	0	112.1	H76 N82 G83	H76-L80 VanDerWaalsContact O-CD1 3.27Å; H76-L80 WeakPolarHBondContact O-CD1 3.4Å; H76-L80 PolarHBondContact O-N 3.36Å; L80-N82 PolarHBondContact O-N 3.5Å; L80-G83 PolarHBondContact O-N 2.86Å
81	K	79.2	Confident	81.4	Confident	180 Å²	180	79 Å²	79	78%	0.783	41%	0.412	S	S	*	.	H	α-helix	trans	-67	-23.3	176.5	-70.5	176.4	-178.6	179.9	0	113	N77 V78 A79	N77-K81 WeakPolarHBondContact O-CG 3.46Å; N77-K81 PolarHBondContact O-N 3.34Å; V78-K81 PolarHBondContact O-N 3.11Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-K81 PolarHBondContact O-N 2.99Å
82	N	77.9	Confident	81.4	Confident	108 Å²	108	82.5 Å²	82.5	58%	0.578	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	25.1	-179	-65.6	-18.1	0	0	0	113.3	V78 A79 L80	V78-N82 PolarHBondContact O-N 3.22Å; A79-N82 CarbonylContact O-C 3.55Å; A79-N82 PolarHBondContact O-N 3.17Å; L80-N82 PolarHBondContact O-N 3.5Å
83	G	74.3	Confident	81.3	Confident	66 Å²	66	81.6 Å²	81.6	68%	0.68	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	25	176.1	0	0	0	0	0	114.6	A79 L80 K85	A79-G83 PolarHBondContact O-N 3.29Å; L80-G83 PolarHBondContact O-N 2.86Å; G83-K85 VanDerWaalsContact C-N 3.33Å; G83-K85 PolarHBondContact O-N 3.39Å
84	G	74.6	Confident	81.3	Confident	47 Å²	47	77 Å²	77	49%	0.485	41%	0.406	S	S	.	.	S	Bend	trans	78.4	9.1	172.4	0	0	0	0	0	115.3	A79	A79-G84 WeakPolarHBondContact O-CA 3.48Å; A79-G84 PolarHBondContact O-N 2.87Å
85	K	72.8	Confident	81.5	Confident	168 Å²	168	82.8 Å²	82.8	73%	0.73	43%	0.427	S	S	*	.			trans	-105.6	132.5	179.9	-64.6	-177.6	-179.1	179.8	0	111	G83	G83-K85 VanDerWaalsContact C-N 3.33Å; G83-K85 PolarHBondContact O-N 3.39Å
86	Y	84.1	Confident	81.5	Confident	76 Å²	76	84.5 Å²	84.5	30%	0.298	43%	0.434	S	S	.	.			trans	-86.3	137.1	173.3	-55.6	-85.7	0	0	0	110.5	I75 H76 A79	I75-Y86 HydrophobicContact CG2-CD1 4.27Å; I75-Y86 HydrophobicContact CG2-CE1 4.44Å; H76-Y86 AromaticContact CD2-CZ 3.89Å; H76-Y86 PolarHBondContact CD2-OH 2.99Å; H76-Y86 AromaticContact NE2-CZ 3.94Å; H76-Y86 PolarHBondContact NE2-OH 3.29Å; H76-Y86 VanDerWaalsContact NE2-OH 3.17Å; A79-Y86 HydrophobicContact CB-CD1 3.57Å; A79-Y86 HydrophobicContact CB-CE1 3.45Å; A79-Y86 VanDerWaalsContact CB-CE1 3.45Å; A79-Y86 HydrophobicContact CB-CG 4.25Å
87	N	83.3	Confident	81.7	Confident	75 Å²	75	83.4 Å²	83.4	40%	0.401	43%	0.429	S	S	.	.			trans	-78.1	169	169.9	73.6	22.2	0	0	0	111.1	E89 Q90 R91	N87-E89 VanDerWaalsContact C-N 3.32Å; N87-E89 PolarHBondContact O-N 3.1Å; N87-E89 PolarHBondContact OD1-N 3.16Å; N87-Q90 PolarHBondContact O-N 3.28Å; N87-Q90 WeakPolarHBondContact OD1-CB 3.31Å; N87-Q90 WeakPolarHBondContact OD1-CG 3.31Å; N87-Q90 PolarHBondContact OD1-N 3.46Å; N87-Q90 PolarHBondContact OD1-OE1 3.47Å; N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 2.88Å; N87-R91 VanDerWaalsContact O-N 3.07Å
88	L	81.5	Confident	81.8	Confident	150 Å²	150	82.2 Å²	82.2	79%	0.785	42%	0.422	S	S	*	.	H	α-helix	trans	-61.6	-39.2	-174.6	-170.2	65.1	0	0	0	112.6	R91 D92	L88-R91 PolarHBondContact O-N 3.09Å; L88-D92 PolarHBondContact O-N 2.76Å; L88-D92 VanDerWaalsContact O-N 3.15Å
89	E	80.9	Confident	82	Confident	111 Å²	111	85 Å²	85	52%	0.519	43%	0.43	S	S	.	.	H	α-helix	trans	-66.8	-45.1	178	-62.6	-179.9	172.2	0	0	111.4	N87 R91 D92 V93	N87-E89 VanDerWaalsContact C-N 3.32Å; N87-E89 PolarHBondContact O-N 3.1Å; N87-E89 PolarHBondContact OD1-N 3.16Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 2.97Å; E89-D92 PolarHBondContact O-N 3.25Å; E89-D92 VanDerWaalsContact O-N 3.17Å; E89-V93 VanDerWaalsContact O-CG2 3.29Å; E89-V93 WeakPolarHBondContact O-CG2 3.38Å; E89-V93 PolarHBondContact O-N 2.97Å
90	Q	82	Confident	81.9	Confident	27 Å²	27	87.4 Å²	87.4	13%	0.126	44%	0.441	C	S	.	.	H	α-helix	trans	-60.1	-38.5	176.8	-75.1	167.7	-18.9	0	0	111.8	I75 N87 L94	I75-Q90 HydrophobicContact CG2-CB 3.9Å; I75-Q90 HydrophobicContact CG2-CG 4.04Å; N87-Q90 PolarHBondContact O-N 3.28Å; N87-Q90 WeakPolarHBondContact OD1-CB 3.31Å; N87-Q90 WeakPolarHBondContact OD1-CG 3.31Å; N87-Q90 PolarHBondContact OD1-N 3.46Å; N87-Q90 PolarHBondContact OD1-OE1 3.47Å; Q90-L94 WeakPolarHBondContact O-CB 3.25Å; Q90-L94 PolarHBondContact O-N 3.11Å
91	R	84.5	Confident	82.2	Confident	163 Å²	163	85.8 Å²	85.8	62%	0.615	43%	0.426	S	S	*	.	H	α-helix	trans	-65	-43.9	175.7	-69.3	178.2	71	171.1	2.7	111.6	N87 L88 E89 L94 Q95	N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 2.88Å; N87-R91 VanDerWaalsContact O-N 3.07Å; L88-R91 PolarHBondContact O-N 3.09Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 2.97Å; R91-L94 PolarHBondContact O-N 3.47Å; R91-Q95 WeakPolarHBondContact O-CB 3.46Å; R91-Q95 PolarHBondContact O-N 2.85Å
92	D	82.8	Confident	82.4	Confident	72 Å²	72	83.8 Å²	83.8	39%	0.385	42%	0.418	S	S	.	.	H	α-helix	trans	-65.5	-44.9	177.7	177.1	54.3	0	0	0	112	L88 E89 L94 Q95 K96	L88-D92 PolarHBondContact O-N 2.76Å; L88-D92 VanDerWaalsContact O-N 3.15Å; E89-D92 PolarHBondContact O-N 3.25Å; E89-D92 VanDerWaalsContact O-N 3.17Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 2.97Å; D92-Q95 PolarHBondContact O-N 3.22Å; D92-K96 VanDerWaalsContact CG-NZ 3.3Å; D92-K96 WeakPolarHBondContact O-CG 3.28Å; D92-K96 PolarHBondContact O-N 3.49Å; D92-K96 VanDerWaalsContact O-N 3.12Å; D92-K96 VanDerWaalsContact OD1-CE 3.27Å; D92-K96 WeakPolarHBondContact OD1-CE 3.22Å; D92-K96 IonicContact OD1-NZ 3.19Å; D92-K96 PolarHBondContact OD1-NZ 3.47Å; D92-K96 WeakPolarHBondContact OD2-CE 3.41Å; D92-K96 IonicContact OD2-NZ 2.68Å; D92-K96 PolarHBondContact OD2-NZ 2.98Å
93	V	84.6	Confident	82.6	Confident	11 Å²	11	82 Å²	82	7%	0.067	41%	0.406	C	S	.	.	H	α-helix	trans	-63.2	-40.9	174.8	179.3	0	0	0	0	111.6	L27 L36 T45 I75 E89 K96 L97	L27-V93 HydrophobicContact CD1-CG1 3.7Å; L36-V93 HydrophobicContact CD2-CG2 4.01Å; T45-V93 HydrophobicContact CG2-CG1 3.82Å; I75-V93 HydrophobicContact CD1-CB 4.18Å; I75-V93 HydrophobicContact CD1-CG1 3.64Å; E89-V93 VanDerWaalsContact O-CG2 3.29Å; E89-V93 WeakPolarHBondContact O-CG2 3.38Å; E89-V93 PolarHBondContact O-N 2.97Å; V93-K96 PolarHBondContact O-N 3.17Å; V93-L97 HydrophobicContact CG1-CD1 4Å; V93-L97 HydrophobicContact CG1-CG 4.49Å; V93-L97 WeakPolarHBondContact O-CG 3.2Å; V93-L97 PolarHBondContact O-N 3.37Å
94	L	85	Confident	83	Confident	25 Å²	25	79.4 Å²	79.4	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-64.1	-42.7	178.1	-175.5	64.6	0	0	0	111.6	I72 Q90 R91 D92 K96 L97 I98	I72-L94 HydrophobicContact CB-CD1 4.34Å; I72-L94 HydrophobicContact CG1-CD1 4.02Å; I72-L94 HydrophobicContact CG2-CD1 3.88Å; Q90-L94 WeakPolarHBondContact O-CB 3.25Å; Q90-L94 PolarHBondContact O-N 3.11Å; R91-L94 PolarHBondContact O-N 3.47Å; D92-L94 VanDerWaalsContact C-N 3.35Å; D92-L94 PolarHBondContact O-N 2.97Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.12Å; L94-L97 PolarHBondContact O-N 2.92Å; L94-I98 HydrophobicContact CD1-CD1 4.28Å; L94-I98 HydrophobicContact CG-CD1 3.92Å; L94-I98 VanDerWaalsContact O-CG1 3.26Å; L94-I98 WeakPolarHBondContact O-CG1 3.48Å; L94-I98 PolarHBondContact O-N 3.35Å
95	Q	87.4	Confident	83.3	Confident	142 Å²	142	80 Å²	80	66%	0.664	37%	0.369	S	S	*	.	H	α-helix	trans	-59.8	-42.5	175.8	-172.4	175.8	-1.6	0	0	111.6	R91 D92 I98 H99	R91-Q95 WeakPolarHBondContact O-CB 3.46Å; R91-Q95 PolarHBondContact O-N 2.85Å; D92-Q95 PolarHBondContact O-N 3.22Å; Q95-I98 PolarHBondContact O-N 3.03Å; Q95-H99 WeakPolarHBondContact O-CB 3.39Å; Q95-H99 PolarHBondContact O-N 3.42Å
96	K	86.4	Confident	83.4	Confident	43 Å²	43	74.9 Å²	74.9	19%	0.187	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-42.7	176.3	-70	167.4	-172.9	164.6	0	112.3	E28 D92 V93 L94 H99 H100	E28-K96 VanDerWaalsContact OE2-CE 3.3Å; E28-K96 WeakPolarHBondContact OE2-CE 3.15Å; E28-K96 IonicContact OE2-NZ 3.61Å; E28-K96 PolarHBondContact OE2-NZ 3.29Å; D92-K96 VanDerWaalsContact CG-NZ 3.3Å; D92-K96 WeakPolarHBondContact O-CG 3.28Å; D92-K96 PolarHBondContact O-N 3.49Å; D92-K96 VanDerWaalsContact O-N 3.12Å; D92-K96 VanDerWaalsContact OD1-CE 3.27Å; D92-K96 WeakPolarHBondContact OD1-CE 3.22Å; D92-K96 IonicContact OD1-NZ 3.19Å; D92-K96 PolarHBondContact OD1-NZ 3.47Å; D92-K96 WeakPolarHBondContact OD2-CE 3.41Å; D92-K96 IonicContact OD2-NZ 2.68Å; D92-K96 PolarHBondContact OD2-NZ 2.98Å; V93-K96 PolarHBondContact O-N 3.17Å; L94-K96 VanDerWaalsContact C-N 3.31Å; L94-K96 PolarHBondContact O-N 3.12Å; K96-H99 PolarHBondContact O-N 2.91Å; K96-H100 WeakPolarHBondContact O-CB 3.45Å; K96-H100 PolarHBondContact O-N 3.34Å
97	L	85.8	Confident	82.8	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-43.4	176	-77.2	165.8	0	0	0	111.9	L25 L27 I68 A71 I72 I75 V93 L94 H100 R101	L25-L97 HydrophobicContact CD2-CD2 4.41Å; L27-L97 HydrophobicContact CD1-CD2 4.03Å; L27-L97 HydrophobicContact CD1-CG 4Å; L27-L97 HydrophobicContact CD2-CD2 3.42Å; L27-L97 VanDerWaalsContact CD2-CD2 3.42Å; L27-L97 HydrophobicContact CD2-CG 4.01Å; L27-L97 HydrophobicContact CG-CD2 4.38Å; I68-L97 HydrophobicContact CG2-CB 4.4Å; I68-L97 HydrophobicContact CG2-CD2 4.22Å; I68-L97 WeakPolarHBondContact CG2-O 3.47Å; A71-L97 HydrophobicContact CB-CD1 3.74Å; A71-L97 HydrophobicContact CB-CD2 3.65Å; A71-L97 HydrophobicContact CB-CG 4.39Å; I72-L97 HydrophobicContact CD1-CB 4.33Å; I72-L97 HydrophobicContact CG1-CB 3.93Å; I72-L97 HydrophobicContact CG1-CD1 4.15Å; I75-L97 HydrophobicContact CD1-CD1 3.61Å; V93-L97 HydrophobicContact CG1-CD1 4Å; V93-L97 HydrophobicContact CG1-CG 4.49Å; V93-L97 WeakPolarHBondContact O-CG 3.2Å; V93-L97 PolarHBondContact O-N 3.37Å; L94-L97 PolarHBondContact O-N 2.92Å; L97-H100 PolarHBondContact O-N 2.92Å; L97-R101 WeakPolarHBondContact O-CB 3.42Å; L97-R101 PolarHBondContact O-N 3.42Å
98	I	86.2	Confident	82	Confident	70 Å²	70	81.4 Å²	81.4	36%	0.359	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.4	-68	166.1	0	0	0	110.9	I72 L94 Q95 R101 K102	I72-I98 HydrophobicContact CD1-CG1 4.47Å; L94-I98 HydrophobicContact CD1-CD1 4.28Å; L94-I98 HydrophobicContact CG-CD1 3.92Å; L94-I98 VanDerWaalsContact O-CG1 3.26Å; L94-I98 WeakPolarHBondContact O-CG1 3.48Å; L94-I98 PolarHBondContact O-N 3.35Å; Q95-I98 PolarHBondContact O-N 3.03Å; I98-R101 WeakPolarHBondContact O-CB 3.37Å; I98-R101 PolarHBondContact O-N 3.33Å; I98-K102 WeakPolarHBondContact O-CG 3.46Å; I98-K102 PolarHBondContact O-N 3.03Å
99	H	85.3	Confident	80.4	Confident	127 Å²	127	78.6 Å²	78.6	59%	0.588	37%	0.369	S	S	*	.	H	α-helix	trans	-60	-47.1	175.9	-175.7	78.1	0	0	0	111.4	Q95 K96 R101 K102 E103	Q95-H99 WeakPolarHBondContact O-CB 3.39Å; Q95-H99 PolarHBondContact O-N 3.42Å; K96-H99 PolarHBondContact O-N 2.91Å; H99-R101 VanDerWaalsContact C-N 3.29Å; H99-R101 PolarHBondContact O-N 2.91Å; H99-K102 PolarHBondContact O-N 3.44Å; H99-E103 PolarHBondContact O-N 2.99Å
100	H	81.8	Confident	79	Confident	51 Å²	51	77.7 Å²	77.7	24%	0.236	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-32.8	178.8	-155.9	59.5	0	0	0	112.5	I68 K96 L97 E103 T104	I68-H100 HydrophobicContact CD1-CB 4.49Å; K96-H100 WeakPolarHBondContact O-CB 3.45Å; K96-H100 PolarHBondContact O-N 3.34Å; L97-H100 PolarHBondContact O-N 2.92Å; H100-E103 IonicContact ND1-OE2 3.75Å; H100-T104 VanDerWaalsContact O-CB 3.29Å; H100-T104 WeakPolarHBondContact O-CB 3.49Å; H100-T104 PolarHBondContact O-N 3.29Å; H100-T104 PolarHBondContact O-OG1 3.25Å
101	R	86.6	Confident	77.3	Confident	90 Å²	90	80.2 Å²	80.2	34%	0.34	40%	0.395	S	S	.	.	H	α-helix	trans	-63.1	-48.7	172.6	-161.7	176.7	179	-91.5	-2.6	111.8	L65 I68 D69 L97 I98 H99 T104 L105	L65-R101 HydrophobicContact CD2-CG 4.1Å; I68-R101 HydrophobicContact CD1-CB 4.44Å; I68-R101 HydrophobicContact CG2-CB 3.85Å; I68-R101 HydrophobicContact CG2-CG 4.12Å; D69-R101 IonicContact OD1-CZ 3.86Å; D69-R101 IonicContact OD1-NE 3.53Å; D69-R101 PolarHBondContact OD1-NE 3.4Å; D69-R101 IonicContact OD1-NH2 3.83Å; D69-R101 IonicContact OD2-NH2 3.71Å; L97-R101 WeakPolarHBondContact O-CB 3.42Å; L97-R101 PolarHBondContact O-N 3.42Å; I98-R101 WeakPolarHBondContact O-CB 3.37Å; I98-R101 PolarHBondContact O-N 3.33Å; H99-R101 VanDerWaalsContact C-N 3.29Å; H99-R101 PolarHBondContact O-N 2.91Å; R101-T104 PolarHBondContact O-N 3.32Å; R101-L105 HydrophobicContact CG-CD1 4.25Å; R101-L105 WeakPolarHBondContact O-CG 3.24Å; R101-L105 PolarHBondContact O-N 3.48Å
102	K	83.3	Confident	75.1	Confident	138 Å²	138	77.2 Å²	77.2	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-61.5	-45.5	178.6	-73.1	-178.1	178.3	-177.2	0	111.1	I98 H99 T104 L105 A106	I98-K102 WeakPolarHBondContact O-CG 3.46Å; I98-K102 PolarHBondContact O-N 3.03Å; H99-K102 PolarHBondContact O-N 3.44Å; K102-T104 PolarHBondContact O-N 2.77Å; K102-L105 PolarHBondContact O-N 3.17Å; K102-A106 WeakPolarHBondContact O-CB 3.4Å; K102-A106 PolarHBondContact O-N 2.91Å
103	E	82.6	Confident	72.8	Confident	69 Å²	69	80.2 Å²	80.2	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-62	-43	176.9	-168.6	-170.3	176.6	0	0	111.9	H99 H100 L105 A106 R107	H99-E103 PolarHBondContact O-N 2.99Å; H100-E103 IonicContact ND1-OE2 3.75Å; E103-L105 PolarHBondContact O-N 2.92Å; E103-A106 PolarHBondContact O-N 3.43Å; E103-R107 WeakPolarHBondContact O-CG 3.36Å; E103-R107 PolarHBondContact O-N 3.41Å; E103-R107 VanDerWaalsContact O-N 3.17Å; E103-R107 IonicContact OE1-CZ 3.47Å; E103-R107 IonicContact OE1-NE 3.48Å; E103-R107 PolarHBondContact OE1-NE 2.98Å; E103-R107 IonicContact OE1-NH2 2.68Å; E103-R107 PolarHBondContact OE1-NH2 3.35Å
104	T	81.8	Confident	70.3	Confident	12 Å²	12	83 Å²	83	7%	0.074	45%	0.451	C	S	.	.	H	α-helix	trans	-66.6	-36.7	178	-55.1	0	0	0	0	111.2	Q61 V64 L65 H100 R101 K102	Q61-T104 HydrophobicContact CG-CG2 3.7Å; Q61-T104 PolarHBondContact NE2-O 3.42Å; V64-T104 HydrophobicContact CB-CG2 4.37Å; V64-T104 HydrophobicContact CG1-CG2 4.08Å; L65-T104 HydrophobicContact CD1-CG2 4.48Å; L65-T104 HydrophobicContact CD2-CG2 3.8Å; L65-T104 HydrophobicContact CG-CG2 3.82Å; H100-T104 VanDerWaalsContact O-CB 3.29Å; H100-T104 WeakPolarHBondContact O-CB 3.49Å; H100-T104 PolarHBondContact O-N 3.29Å; H100-T104 PolarHBondContact O-OG1 3.25Å; R101-T104 PolarHBondContact O-N 3.32Å; K102-T104 PolarHBondContact O-N 2.77Å
105	L	80.4	Confident	67.8	Low	61 Å²	61	91 Å²	91	32%	0.319	49%	0.488	S	S	.	.	H	α-helix	trans	-71.1	-39.4	174.7	-73.1	167.4	0	0	0	112.8	L65 R101 K102 E103 R107 R108 S109	L65-L105 HydrophobicContact CD1-CD2 3.76Å; L65-L105 HydrophobicContact CD1-CG 4.45Å; L65-L105 HydrophobicContact CD2-CD2 4.04Å; L65-L105 HydrophobicContact CD2-CG 3.86Å; R101-L105 HydrophobicContact CG-CD1 4.25Å; R101-L105 WeakPolarHBondContact O-CG 3.24Å; R101-L105 PolarHBondContact O-N 3.48Å; K102-L105 PolarHBondContact O-N 3.17Å; E103-L105 PolarHBondContact O-N 2.92Å; L105-R107 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 3.22Å; L105-R108 WeakPolarHBondContact O-CB 3.31Å; L105-R108 PolarHBondContact O-N 3.09Å; L105-S109 PolarHBondContact O-N 3.34Å
106	A	75.4	Confident	65	Low	59 Å²	59	95.8 Å²	95.8	49%	0.488	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-35	178.6	0	0	0	0	0	112.6	K102 E103 R108 S109	K102-A106 WeakPolarHBondContact O-CB 3.4Å; K102-A106 PolarHBondContact O-N 2.91Å; E103-A106 PolarHBondContact O-N 3.43Å; A106-R108 PolarHBondContact O-N 3.4Å; A106-S109 PolarHBondContact O-N 3.14Å; A106-S109 PolarHBondContact O-OG 2.87Å
107	R	71.3	Confident	62.4	Low	150 Å²	150	101.8 Å²	101.8	57%	0.566	53%	0.533	S	S	*	.	H	α-helix	trans	-66.9	-21.6	173.6	-69.4	172.5	-175.1	-128.6	5.4	113	E103 L105 S110	E103-R107 WeakPolarHBondContact O-CG 3.36Å; E103-R107 PolarHBondContact O-N 3.41Å; E103-R107 VanDerWaalsContact O-N 3.17Å; E103-R107 IonicContact OE1-CZ 3.47Å; E103-R107 IonicContact OE1-NE 3.48Å; E103-R107 PolarHBondContact OE1-NE 2.98Å; E103-R107 IonicContact OE1-NH2 2.68Å; E103-R107 PolarHBondContact OE1-NH2 3.35Å; L105-R107 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 3.22Å; R107-S110 PolarHBondContact O-OG 3.45Å
108	R	66.8	Low	59.9	Low	139 Å²	139	107.6 Å²	107.6	53%	0.525	57%	0.571	S	S	.	*	H	α-helix	trans	-77	-37.5	177.7	-172.6	-178.2	173.3	-154.9	-0	111.9	Q61 L105 A106 S110 S111	Q61-R108 VanDerWaalsContact NE2-N 3.15Å; L105-R108 WeakPolarHBondContact O-CB 3.31Å; L105-R108 PolarHBondContact O-N 3.09Å; A106-R108 PolarHBondContact O-N 3.4Å; R108-S110 VanDerWaalsContact C-N 3.25Å; R108-S110 PolarHBondContact O-N 3.01Å; R108-S111 PolarHBondContact O-N 3.3Å; R108-S111 PolarHBondContact O-OG 3.37Å; R108-S111 VanDerWaalsContact O-OG 3.11Å
109	S	47.8	Very low	57.1	Low	91 Å²	91	109.1 Å²	109.1	64%	0.636	59%	0.594	S	S	*	*	H	α-helix	trans	-67.2	-23.9	177.1	37.4	0	0	0	0	113.5	L105 A106	L105-S109 PolarHBondContact O-N 3.34Å; A106-S109 PolarHBondContact O-N 3.14Å; A106-S109 PolarHBondContact O-OG 2.87Å
110	S	50.6	Low	54.3	Low	92 Å²	92	107.8 Å²	107.8	64%	0.643	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-8.7	177.9	47.8	0	0	0	0	115	R107 R108	R107-S110 PolarHBondContact O-OG 3.45Å; R108-S110 VanDerWaalsContact C-N 3.25Å; R108-S110 PolarHBondContact O-N 3.01Å
111	S	48.1	Very low	51.6	Low	79 Å²	79	112.1 Å²	112.1	55%	0.552	62%	0.624	S	S	*	*	S	Bend	trans	-107.8	9.3	-174.2	57.5	0	0	0	0	114.9	R108	R108-S111 PolarHBondContact O-N 3.3Å; R108-S111 PolarHBondContact O-OG 3.37Å; R108-S111 VanDerWaalsContact O-OG 3.11Å
112	S	38.3	Very low	48.8	Very low	100 Å²	100	112.9 Å²	112.9	70%	0.699	64%	0.643	S	S	*	*			trans	-101.9	32.9	-177.4	76.5	0	0	0	0	115.4
113	T	34.4	Very low	46	Very low	135 Å²	135	114.1 Å²	114.1	83%	0.828	65%	0.651	S	S	*	*	S	Bend	trans	-119.5	100.4	159.3	27	0	0	0	0	108.4
114	G	31.2	Very low	43.4	Very low	70 Å²	70	117.4 Å²	117.4	72%	0.722	67%	0.669	S	S	*	*			trans	-80.2	121.8	-174.8	0	0	0	0	0	112.8
115	H	31.9	Very low	40.6	Very low	194 Å²	194	121.6 Å²	121.6	90%	0.898	70%	0.699	S	S	*	*			trans	-140.8	120.5	141.7	-93.9	-69.2	0	0	0	109.6
116	R	30	Very low	38	Very low	241 Å²	241	126.2 Å²	126.2	91%	0.909	72%	0.723	S	S	*	*			trans	-69.6	133.2	169.3	-77.1	-176	-175.8	-177.9	1.5	109.9
117	L	31	Very low	35.7	Very low	169 Å²	169	128.2 Å²	128.2	89%	0.885	73%	0.734	S	S	*	*			trans	-143	148.2	147	-75.3	177	0	0	0	109.6
118	P	33.4	Very low	33.6	Very low	123 Å²	123	130 Å²	130	80%	0.799	75%	0.748	S	S	*	*			trans	-84.5	160.9	-171.9	34.7	-32.7	0	0	0	113
119	A	27.9	Very low	31.6	Very low	102 Å²	102	129.8 Å²	129.8	84%	0.843	76%	0.762	S	S	*	*			trans	-67.4	146.9	-174.8	0	0	0	0	0	114.7
120	S	25.5	Very low	31.2	Very low	99 Å²	99	131 Å²	131	69%	0.692	77%	0.768	S	S	*	*				167.5	130.1	114.2	-165.6	0	0	0	0	113.9
121	N	24.6	Very low	30.8	Very low	142 Å²	142	132 Å²	132	76%	0.759	77%	0.773	S	S	*	*			trans	61.8	136.4	143	-67.7	-2.9	0	0	0	125.7
122	S	27.7	Very low	31	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	78%	0.781	S	S	*	*			trans	77.9	146.4	153.2	-3.6	0	0	0	0	116.2
123	E	26	Very low	31.2	Very low	164 Å²	164	134.4 Å²	134.4	77%	0.766	78%	0.784	S	S	*	*			cis	-174.8	142.7	-7.5	-112.4	179.4	167.1	0	0	105.3
124	I	27.1	Very low	30.9	Very low	138 Å²	138	136.1 Å²	136.1	71%	0.708	79%	0.788	S	S	*	*			trans	55.2	127.4	137.6	-54.8	162.1	0	0	0	121.9
125	S	24.1	Very low	30.7	Very low	100 Å²	100	136.6 Å²	136.6	70%	0.699	79%	0.793	S	S	*	*			trans	94.5	112.9	144.1	-80.2	0	0	0	0	124
126	L	25.5	Very low	30.5	Very low	159 Å²	159	134.9 Å²	134.9	83%	0.832	79%	0.79	S	S	*	*				34.1	128.5	125.4	-72.8	160.8	0	0	0	122.3
127	S	25.9	Very low	30.4	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	78%	0.78	S	S	*	*				114	132.9	127.3	75	0	0	0	0	120.6
128	Q	27.1	Very low	30.2	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.874	77%	0.773	S	S	*	*			trans	77.8	122.5	147.1	-68.8	172.7	16.1	0	0	122.6
129	T	26.1	Very low	29.8	Very low	134 Å²	134	130 Å²	130	82%	0.822	77%	0.771	S	S	*	*			trans	-63.4	175.8	159.1	35.2	0	0	0	0	114.6
130	P	38.4	Very low	29.9	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	77%	0.773	S	S	*	*			cis	-135.4	-139.7	-17.1	31.9	-4.3	0	0	0	114.2
131	P	43	Very low	29.9	Very low	115 Å²	115	134.8 Å²	134.8	75%	0.747	78%	0.776	S	S	*	*				-114.1	-145	-113.9	37.9	-14.5	0	0	0	116.3
132	P	52.1	Low	30.2	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	78%	0.782	S	S	*	*				-109.3	-162.9	-81.2	42.4	-24	0	0	0	113
133	P	41.9	Very low	30.2	Very low	117 Å²	117	142.4 Å²	142.4	76%	0.76	79%	0.785	S	S	*	*				-157.2	165.1	72.7	39.2	-15.3	0	0	0	119.9
134	N	27.8	Very low	30.2	Very low	171 Å²	171	137.7 Å²	137.7	91%	0.914	78%	0.781	S	S	*	*			trans	28	140	146.1	-76	-10.8	0	0	0	124.9
135	G	27.7	Very low	30.2	Very low	80 Å²	80	137 Å²	137	83%	0.825	79%	0.788	S	S	*	*			trans	168.3	109	147.7	0	0	0	0	0	118
136	L	28.4	Very low	30.7	Very low	158 Å²	158	138.6 Å²	138.6	83%	0.827	79%	0.793	S	S	*	*			trans	-65.1	155.1	-179.5	-75.3	139.4	0	0	0	119
137	N	26.8	Very low	31.6	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	79%	0.79	S	S	*	*			trans	74.3	136.7	133.6	-82.7	-14.5	0	0	0	126.4
138	Q	26.6	Very low	31.7	Very low	160 Å²	160	139.5 Å²	139.5	75%	0.748	80%	0.797	S	S	*	*			trans	93.6	114	131.2	-88.8	178.9	5.6	0	0	124.4
139	N	26.4	Very low	31.9	Very low	139 Å²	139	136.1 Å²	136.1	74%	0.743	79%	0.794	S	S	*	*				67.1	158.4	120.1	-91.9	-1.6	0	0	0	125.8
140	Y	28.9	Very low	31.9	Very low	230 Å²	230	133.4 Å²	133.4	90%	0.902	79%	0.792	S	S	*	*			trans	92.6	131.7	174	-62.2	-80.5	0	0	0	115.3
141	G	26.2	Very low	31.3	Very low	72 Å²	72	133.7 Å²	133.7	74%	0.742	80%	0.797	S	S	*	*			cis	124	128.3	8.5	0	0	0	0	0	111.9
142	R	29.8	Very low	30.5	Very low	235 Å²	235	136.4 Å²	136.4	89%	0.887	80%	0.801	S	S	*	*			trans	111.6	143.7	139.7	-137.1	-178.8	-152.5	-113	3.3	120.9
143	Q	28.4	Very low	29.2	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	81%	0.805	S	S	*	*			trans	97.2	118.5	157.9	-50.5	-165.1	32.3	0	0	115.4
144	G	25.2	Very low	28.4	Very low	66 Å²	66	137.3 Å²	137.3	68%	0.68	80%	0.802	S	S	*	*			cis	95.3	107.7	27.8	0	0	0	0	0	109.1
145	S	27.6	Very low	28.3	Very low	124 Å²	124	137.8 Å²	137.8	87%	0.867	80%	0.801	S	S	*	*				173.5	151.5	96	-55.9	0	0	0	0	111.5
146	V	35	Very low	28.2	Very low	133 Å²	133	143.6 Å²	143.6	81%	0.806	81%	0.806	S	S	*	*			trans	-124.5	159.9	171.1	-173.9	0	0	0	0	108.6
147	P	43.6	Very low	28	Very low	116 Å²	116	140.5 Å²	140.5	75%	0.753	80%	0.804	S	S	*	*				-141.9	134.3	122.7	29.8	-11.5	0	0	0	113.3
148	L	28.7	Very low	27.9	Very low	163 Å²	163	142.7 Å²	142.7	85%	0.853	81%	0.81	S	S	*	*				56.9	131.9	86.6	-76.7	159.2	0	0	0	114.3
149	S	31.8	Very low	28.2	Very low	116 Å²	116	140 Å²	140	81%	0.811	81%	0.806	S	S	*	*			cis	-176.7	156.8	36.5	-177.1	0	0	0	0	113.8
150	G	25.3	Very low	28.1	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	81%	0.811	S	S	*	*			trans	90	148.5	146.6	0	0	0	0	0	118.6
151	S	25.3	Very low	27.9	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	81%	0.806	S	S	*	*			cis	-170.8	158.5	-11.3	-177.2	0	0	0	0	107.6
152	M	27.9	Very low	28.2	Very low	172 Å²	172	141.9 Å²	141.9	85%	0.847	82%	0.817	S	S	*	*			trans	-18	146.4	177.9	-78.5	167.7	139.3	0	0	124.8
153	D	24.8	Very low	28.1	Very low	148 Å²	148	139.3 Å²	139.3	79%	0.791	82%	0.815	S	S	*	*			trans	113.6	133.7	130.3	-103	-11.2	0	0	0	122.8
154	S	25.2	Very low	28.2	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	82%	0.815	S	S	*	*			trans	93.1	113.9	152.8	-55.6	0	0	0	0	122.7
155	M	25.3	Very low	28.4	Very low	180 Å²	180	139.7 Å²	139.7	89%	0.887	82%	0.817	S	S	*	*			trans	35	120.2	136.2	-78.2	165.8	152.2	0	0	121.2
156	Q	25.9	Very low	28.5	Very low	202 Å²	202	140 Å²	140	94%	0.944	82%	0.816	S	S	*	*				169.2	154.2	116.9	-94.3	170.5	8.6	0	0	113.2
157	A	24.1	Very low	28.3	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	82%	0.819	S	S	*	*			trans	-66.7	155.8	-175.2	0	0	0	0	0	115.6
158	E	24.8	Very low	27.7	Very low	178 Å²	178	143 Å²	143	83%	0.832	82%	0.822	S	S	*	*			trans	25.1	160.1	147	-70.6	-75.5	132	0	0	120.9
159	P	32	Very low	27.8	Very low	103 Å²	103	147.3 Å²	147.3	67%	0.669	83%	0.827	S	S	*	*			cis	-132.4	165.7	-11.3	33.7	-14	0	0	0	113.9
160	G	25.6	Very low	27.7	Very low	83 Å²	83	153.9 Å²	153.9	86%	0.856	83%	0.834	S	S	*	*			trans	-85.1	128.8	174.8	0	0	0	0	0	114.2
161	L	24.5	Very low	28	Very low	149 Å²	149	155 Å²	155	78%	0.78	84%	0.836	S	S	*	*			trans	-115.9	116.8	164.3	-83.5	164.8	0	0	0	108.4
162	Y	31.2	Very low	28.3	Very low	249 Å²	249	153.2 Å²	153.2	98%	0.976	83%	0.828	S	S	*	*			trans	-147.8	128	145.4	-94.1	-75.9	0	0	0	109.8
163	Q	27.6	Very low	28.4	Very low	181 Å²	181	150.9 Å²	150.9	85%	0.846	83%	0.826	S	S	*	*			trans	-109.4	128.7	-160.7	-160.6	168.4	40.1	0	0	109
164	V	30	Very low	28.9	Very low	133 Å²	133	151.9 Å²	151.9	81%	0.806	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-91.5	137.1	173.2	177.2	0	0	0	0	109.3
165	P	30.8	Very low	29.3	Very low	112 Å²	112	153 Å²	153	73%	0.727	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-72.9	150.6	-177.9	-14.3	29.1	0	0	0	114
166	P	29.2	Very low	29.8	Very low	129 Å²	129	149.7 Å²	149.7	84%	0.838	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-87.3	133.2	-179	33.9	-31	0	0	0	112.2
167	Q	30.2	Very low	30.4	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-102.7	151.3	166.4	-78.9	-167	-8.1	0	0	111.8
168	P	32.1	Very low	31	Very low	125 Å²	125	146.8 Å²	146.8	81%	0.812	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-86.4	141.2	-156.9	21.7	-11.2	0	0	0	114.2
169	R	29.8	Very low	31.4	Very low	254 Å²	254	144.4 Å²	144.4	96%	0.958	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61.5	131.6	172.2	-65.6	-177.3	-172.1	-170.5	1.7	111
170	R	30.8	Very low	31.4	Very low	253 Å²	253	147.8 Å²	147.8	96%	0.955	82%	0.822	S	S	*	*			trans	-113.2	127.6	158.7	-142.3	179.3	-162.1	-162.5	4.5	108.9
171	A	31.5	Very low	31.6	Very low	100 Å²	100	154.1 Å²	154.1	83%	0.826	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.9	145	-169.9	0	0	0	0	0	113.6
172	A	31.2	Very low	31.9	Very low	84 Å²	84	155.1 Å²	155.1	69%	0.694	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76.9	148.4	169.1	0	0	0	0	0	111.1
173	P	30.1	Very low	31.8	Very low	124 Å²	124	154.3 Å²	154.3	81%	0.805	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.3	130.3	173.9	-13.3	28	0	0	0	111.3
174	I	34.6	Very low	31.8	Very low	168 Å²	168	153.4 Å²	153.4	86%	0.862	82%	0.823	S	S	*	*			trans	-83.3	112.2	174.1	-55.2	164.8	0	0	0	107.6
175	T	33	Very low	31.9	Very low	126 Å²	126	153.2 Å²	153.2	77%	0.773	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92.9	124.9	166.8	39	0	0	0	0	109.8
176	P	37.3	Very low	31.6	Very low	109 Å²	109	160.2 Å²	160.2	71%	0.708	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-74.3	153.6	176.7	30	-32.9	0	0	0	111.9
177	P	38	Very low	31.5	Very low	118 Å²	118	165.6 Å²	165.6	77%	0.766	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.3	152.1	179.2	29.2	-33.9	0	0	0	112.4
178	P	36.1	Very low	31.9	Very low	117 Å²	117	162.4 Å²	162.4	76%	0.76	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-71.6	152.8	175.6	29.4	-32.6	0	0	0	112
179	P	34.8	Very low	31.6	Very low	127 Å²	127	165.1 Å²	165.1	83%	0.825	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-74.3	138	-168.1	28.8	-33.9	0	0	0	113.7
180	E	31.9	Very low	32	Very low	174 Å²	174	158.3 Å²	158.3	81%	0.813	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-62.9	131.6	169.8	-67	178.2	149.3	0	0	111.3	Q182	E180-Q182 PolarHBondContact O-N 2.89Å
181	K	29.7	Very low	31.7	Very low	216 Å²	216	155.1 Å²	155.1	94%	0.939	82%	0.82	S	S	*	*			trans	-71.3	96.2	165.3	-87.5	-179.1	176	176	0	109.1	R183	K181-R183 PolarHBondContact O-N 3.21Å
182	Q	29.1	Very low	31.5	Very low	171 Å²	171	156.7 Å²	156.7	80%	0.799	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65	122.6	167.3	-84.6	-177.6	-12.6	0	0	111.4	E180 N184	E180-Q182 PolarHBondContact O-N 2.89Å; Q182-N184 PolarHBondContact O-N 2.9Å
183	R	30	Very low	31.9	Very low	232 Å²	232	157.5 Å²	157.5	88%	0.875	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-59.6	118.1	161.5	179.2	178.6	177.3	-174.4	-0	109.3	K181	K181-R183 PolarHBondContact O-N 3.21Å
184	N	28.4	Very low	31.8	Very low	162 Å²	162	156.5 Å²	156.5	87%	0.866	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-69.3	131	173	-86.3	-25.4	0	0	0	111.2	Q182	Q182-N184 PolarHBondContact O-N 2.9Å
185	T	31.4	Very low	31.5	Very low	129 Å²	129	159.4 Å²	159.4	79%	0.791	81%	0.813	S	S	*	*			trans	-123.8	128.4	164.4	12	0	0	0	0	109.2
186	R	25.3	Very low	31.3	Very low	259 Å²	259	159.5 Å²	159.5	98%	0.977	81%	0.813	S	S	*	*			trans	-156.6	130.2	149.1	-105.4	176.9	-173.3	-165.7	1.2	110.9
187	R	26.9	Very low	30.9	Very low	242 Å²	242	159.3 Å²	159.3	91%	0.913	81%	0.814	S	S	*	*			trans	-67.9	-172	176.8	-67.4	175.6	165.8	-179.9	-5.2	113.3
188	P	37.3	Very low	30.4	Very low	120 Å²	120	158.2 Å²	158.2	78%	0.779	81%	0.81	S	S	*	*			cis	-134.6	175.4	-7	22.5	4.2	0	0	0	117
189	E	26.7	Very low	30.1	Very low	182 Å²	182	160.7 Å²	160.7	85%	0.85	82%	0.816	S	S	*	*			trans	-14	164.7	159.5	-79.5	-177.2	167.6	0	0	121.9
190	P	38.3	Very low	30.7	Very low	112 Å²	112	160.3 Å²	160.3	73%	0.727	81%	0.813	S	S	*	*			cis	-152.9	-179.8	40.3	43.5	-20.7	0	0	0	120.9
191	E	25.3	Very low	30.5	Very low	185 Å²	185	156.8 Å²	156.8	86%	0.864	81%	0.814	S	S	*	*			trans	110	134.8	149.5	-69	-172.8	167.9	0	0	123
192	V	27.4	Very low	30.4	Very low	134 Å²	134	151.9 Å²	151.9	81%	0.812	81%	0.807	S	S	*	*			trans	-87.7	-176	-164.7	-143.9	0	0	0	0	110.7
193	P	37.7	Very low	30.9	Very low	101 Å²	101	150 Å²	150	66%	0.656	81%	0.809	S	S	*	*			cis	-149.2	164.4	12.1	40.2	-16.9	0	0	0	122.1
194	S	29	Very low	31	Very low	102 Å²	102	143.1 Å²	143.1	71%	0.713	80%	0.802	S	S	*	*			trans	72.1	147.3	138.7	64.2	0	0	0	0	120.2
195	R	29.3	Very low	31.2	Very low	229 Å²	229	141.6 Å²	141.6	86%	0.864	80%	0.801	S	S	*	*			cis	-168.9	128.9	31.6	-141.6	170.5	-170.4	-178.6	3.2	113
196	V	28.2	Very low	30.9	Very low	128 Å²	128	140.5 Å²	140.5	78%	0.776	80%	0.799	S	S	*	*				52.2	137.5	126.9	-171.3	0	0	0	0	124.1
197	S	27.8	Very low	31	Very low	105 Å²	105	136.5 Å²	136.5	73%	0.734	80%	0.796	S	S	*	*			trans	101.4	150.3	145.6	-93.6	0	0	0	0	120.1
198	S	29	Very low	30.9	Very low	95 Å²	95	130.8 Å²	130.8	66%	0.664	79%	0.788	S	S	*	*			cis	172.1	105.5	-44.1	47.1	0	0	0	0	108.6
199	L	28.3	Very low	30.5	Very low	170 Å²	170	133 Å²	133	89%	0.89	79%	0.791	S	S	*	*			trans	49.4	178.5	152.1	-62.1	169.4	0	0	0	120.4
200	P	48.8	Very low	30.4	Very low	118 Å²	118	129.3 Å²	129.3	77%	0.766	79%	0.786	S	S	*	*				-134.2	-177.9	-80.3	41.1	-22.3	0	0	0	114.5
201	A	26.4	Very low	29.9	Very low	100 Å²	100	129.8 Å²	129.8	83%	0.826	79%	0.787	S	S	*	*			trans	153.3	140.4	138.7	0	0	0	0	0	115.5
202	S	27.2	Very low	29.9	Very low	113 Å²	113	127 Å²	127	79%	0.79	78%	0.782	S	S	*	*			trans	-72.2	-163.5	176.2	-31.2	0	0	0	0	114.3
203	P	41.4	Very low	29.9	Very low	131 Å²	131	125.6 Å²	125.6	85%	0.851	78%	0.779	S	S	*	*			cis	-133.5	-167.2	-21.8	31.4	-7	0	0	0	114.5
204	A	30.9	Very low	29.4	Very low	89 Å²	89	127.1 Å²	127.1	74%	0.736	79%	0.787	S	S	*	*			trans	-50.1	175.4	-172.3	0	0	0	0	0	120.3
205	P	33.4	Very low	29.2	Very low	130 Å²	130	130.8 Å²	130.8	84%	0.844	79%	0.792	S	S	*	*				-146.3	163	88.7	37.5	-19.2	0	0	0	117.4
206	S	25.3	Very low	29.1	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	79%	0.789	S	S	*	*			trans	-72.7	155.9	174.9	-43.9	0	0	0	0	114.5
207	L	26.7	Very low	28.9	Very low	175 Å²	175	123.6 Å²	123.6	92%	0.916	79%	0.789	S	S	*	*			trans	-144.5	126.9	149.5	-81.5	177.9	0	0	0	111.9
208	T	25.1	Very low	28.7	Very low	122 Å²	122	124 Å²	124	75%	0.748	79%	0.791	S	S	*	*			trans	-90.1	141.9	172.8	1.8	0	0	0	0	110.3
209	I	28.3	Very low	28.6	Very low	166 Å²	166	131.4 Å²	131.4	85%	0.851	81%	0.805	S	S	*	*			trans	-145.5	130.2	152.6	-52.8	179.9	0	0	0	109.3
210	S	25	Very low	28.5	Very low	106 Å²	106	129 Å²	129	74%	0.741	80%	0.802	S	S	*	*			trans	-114.8	141.5	173	-51.6	0	0	0	0	109.9
211	T	26.7	Very low	27.4	Very low	122 Å²	122	129 Å²	129	75%	0.748	81%	0.805	S	S	*	*			trans	-160.5	104.5	159.8	44.5	0	0	0	0	108.8
212	T	26.9	Very low	27.4	Very low	125 Å²	125	132.7 Å²	132.7	77%	0.767	81%	0.81	S	S	*	*				65.8	99	99.1	59.9	0	0	0	0	118.3
213	S	26.8	Very low	27.3	Very low	106 Å²	106	132.1 Å²	132.1	74%	0.741	81%	0.812	S	S	*	*				70.7	138.7	121.1	-45.7	0	0	0	0	125.3
214	T	26.4	Very low	26.6	Very low	133 Å²	133	132.2 Å²	132.2	82%	0.816	81%	0.81	S	S	*	*			trans	87.2	121.5	147.6	57.5	0	0	0	0	123.1
215	E	25.5	Very low	26.4	Very low	179 Å²	179	133.5 Å²	133.5	84%	0.836	81%	0.814	S	S	*	*			trans	125.8	101.5	141.7	-68.4	-160	150.5	0	0	118
216	S	26.1	Very low	26.1	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	81%	0.812	S	S	*	*				47.8	124.8	118.8	-40.5	0	0	0	0	122.5
217	A	24.2	Very low	26.4	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	81%	0.814	S	S	*	*			trans	98.4	112.1	138.5	0	0	0	0	0	120.2
218	S	25.2	Very low	26.5	Very low	112 Å²	112	133.2 Å²	133.2	78%	0.783	80%	0.804	S	S	*	*				84.7	95.3	130	-53.4	0	0	0	0	121.1
219	R	25.8	Very low	26.6	Very low	252 Å²	252	135.1 Å²	135.1	95%	0.951	81%	0.809	S	S	*	*				42.9	118.6	124.3	-66.4	-177.7	169.1	175.3	-3.4	119.8
220	S	26.6	Very low	26.7	Very low	118 Å²	118	132.9 Å²	132.9	83%	0.825	81%	0.805	S	S	*	*				-154.4	113.3	125.9	58.4	0	0	0	0	110.5
221	S	25.7	Very low	26.7	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-68	128.1	174.5	40.9	0	0	0	0	112.1
222	L	25.8	Very low	26.8	Very low	176 Å²	176	132.6 Å²	132.6	92%	0.921	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-90.3	119.4	160.5	-83.9	157.8	0	0	0	107.8
223	A	25.3	Very low	26.8	Very low	101 Å²	101	131 Å²	131	84%	0.835	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.4	123.4	-177.9	0	0	0	0	0	110.9
224	T	26	Very low	26.7	Very low	134 Å²	134	131.3 Å²	131.3	82%	0.822	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-84.8	134	161.9	-8	0	0	0	0	108.1
225	S	27.2	Very low	26.9	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.1	120.6	-173.4	43.3	0	0	0	0	113.1
226	D	27.9	Very low	27.1	Very low	149 Å²	149	128.4 Å²	128.4	80%	0.797	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-66.5	130.4	170.4	-73.8	-44.1	0	0	0	112.2
227	I	31.2	Very low	27.4	Very low	151 Å²	151	129 Å²	129	77%	0.774	81%	0.813	S	S	*	*			trans	-94.8	101	154.4	-67.3	169.8	0	0	0	105.8
228	S	27.8	Very low	27.7	Very low	103 Å²	103	130.1 Å²	130.1	72%	0.72	81%	0.813	S	S	*	*			trans	-130.4	127.8	171.2	-70.3	0	0	0	0	108.7
229	L	29.1	Very low	27.9	Very low	163 Å²	163	130.6 Å²	130.6	85%	0.853	81%	0.813	S	S	*	*			trans	-87.7	149.7	163.2	-76.6	168.8	0	0	0	109.2
230	P	29.3	Very low	28.1	Very low	118 Å²	118	125.3 Å²	125.3	77%	0.766	81%	0.809	S	S	*	*			trans	-89.7	151.1	-152	34.9	-34.3	0	0	0	113.9
231	S	25	Very low	28.2	Very low	126 Å²	126	125.3 Å²	125.3	88%	0.881	81%	0.806	S	S	*	*			trans	-131.8	125	156.1	-91.2	0	0	0	0	109.6
232	A	28.9	Very low	28.2	Very low	97 Å²	97	125 Å²	125	80%	0.802	80%	0.804	S	S	*	*			trans	-75.9	153.4	169.5	0	0	0	0	0	109.4
233	A	26.1	Very low	28.3	Very low	90 Å²	90	128.2 Å²	128.2	74%	0.744	80%	0.804	S	S	*	*			cis	-162	163.2	38.7	0	0	0	0	0	113.1
234	S	26.6	Very low	28.3	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	81%	0.806	S	S	*	*			trans	119.5	102.1	150.9	-54	0	0	0	0	115.2
235	T	29.6	Very low	28.4	Very low	142 Å²	142	132.9 Å²	132.9	87%	0.871	81%	0.806	S	S	*	*			trans	-160.2	147.6	148.7	10.9	0	0	0	0	110.7
236	P	30.4	Very low	28.4	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-88.1	169.6	-164.8	36.9	-35.5	0	0	0	113.9
237	P	31.1	Very low	28.5	Very low	124 Å²	124	131.8 Å²	131.8	81%	0.805	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.6	147.1	-170.9	33.1	-33.3	0	0	0	113.5
238	P	30.2	Very low	28.5	Very low	118 Å²	118	131 Å²	131	77%	0.766	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-91.2	164.8	175.9	35.9	-32.2	0	0	0	113.2
239	P	30.4	Very low	28.9	Very low	122 Å²	122	131.7 Å²	131.7	79%	0.792	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-86.3	157.1	-169	34.9	-34	0	0	0	114.1
240	V	30.2	Very low	29.1	Very low	140 Å²	140	130 Å²	130	85%	0.848	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-69.4	138.5	177	-174.8	0	0	0	0	111.8
241	P	28.3	Very low	29	Very low	118 Å²	118	129.4 Å²	129.4	77%	0.766	81%	0.805	S	S	*	*			trans	-115.3	138.1	161.8	24	-6.5	0	0	0	114.1
242	S	25.8	Very low	29.2	Very low	115 Å²	115	130.5 Å²	130.5	80%	0.804	80%	0.801	S	S	*	*			trans	-77.2	137.4	177.6	-66.6	0	0	0	0	114
243	R	26.9	Very low	29.2	Very low	243 Å²	243	132.8 Å²	132.8	92%	0.917	81%	0.805	S	S	*	*			trans	14.7	115.7	146.8	-165.1	-179.3	-149	170.6	7.3	119.4
244	V	26.3	Very low	29.5	Very low	146 Å²	146	136.3 Å²	136.3	89%	0.885	81%	0.806	S	S	*	*			trans	-141.7	143.9	146.4	-172.8	0	0	0	0	110.8
245	K	27.4	Very low	29.8	Very low	187 Å²	187	136.7 Å²	136.7	81%	0.813	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-83.1	148.9	-169	-165.4	179.4	-175.3	-176.7	0	112.3
246	P	28.8	Very low	29.7	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-89.4	150.9	-179.4	33.9	-31.9	0	0	0	113.2
247	P	28.6	Very low	29.6	Very low	125 Å²	125	136.4 Å²	136.4	81%	0.812	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-100.4	157.4	165.5	35.3	-25.6	0	0	0	113.2
248	V	31.9	Very low	29.4	Very low	136 Å²	136	136 Å²	136	82%	0.824	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-76.9	151.9	-176.9	175.9	0	0	0	0	111.7
249	P	36.2	Very low	29.7	Very low	117 Å²	117	136.1 Å²	136.1	76%	0.76	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-93.1	162.5	178.5	37.3	-32.9	0	0	0	113.2
250	P	32.8	Very low	30.2	Very low	128 Å²	128	135.8 Å²	135.8	83%	0.831	80%	0.799	S	S	*	*			trans	-117.2	159.8	156.6	36.2	-23.7	0	0	0	113.5
251	S	27.8	Very low	30.2	Very low	104 Å²	104	136 Å²	136	73%	0.727	80%	0.8	S	S	*	*			trans	-85.5	166.2	-167.5	-45.9	0	0	0	0	116.1
252	D	28.2	Very low	30.6	Very low	149 Å²	149	136.3 Å²	136.3	80%	0.797	80%	0.802	S	S	*	*			trans	78.8	118.6	148.3	-61.3	-29.4	0	0	0	121.1
253	V	30.2	Very low	30.8	Very low	146 Å²	146	135.4 Å²	135.4	89%	0.885	80%	0.802	S	S	*	*				168.3	138.4	99.6	169.1	0	0	0	0	110.8
254	Q	31	Very low	31.1	Very low	164 Å²	164	129.9 Å²	129.9	77%	0.766	80%	0.797	S	S	*	*			trans	-74.3	173.8	-176	-67.8	172.2	-97.3	0	0	116.8
255	P	33.8	Very low	31.3	Very low	120 Å²	120	129.9 Å²	129.9	78%	0.779	80%	0.797	S	S	*	*				-140.3	140.2	93.8	30.9	-12.5	0	0	0	114.2
256	S	27.5	Very low	31.5	Very low	92 Å²	92	130.3 Å²	130.3	64%	0.643	80%	0.799	S	S	*	*				48.3	124.7	89.8	-47.2	0	0	0	0	114.2
257	D	28.4	Very low	31.4	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	81%	0.805	S	S	*	*			cis	-163.9	142.1	38.3	-112	-30.9	0	0	0	112.9
258	S	27.7	Very low	31.3	Very low	117 Å²	117	134 Å²	134	82%	0.818	81%	0.805	S	S	*	*				156.2	149.2	129.6	-67.5	0	0	0	0	114.3
259	P	36.2	Very low	31.8	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	81%	0.805	S	S	*	*			trans	-123.5	-160.2	-150.5	38.7	-19	0	0	0	114.4
260	P	39.9	Very low	31.3	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	81%	0.806	S	S	*	*				-130.8	161.6	-62.6	37.3	-21.2	0	0	0	114.4
261	V	31.5	Very low	31.3	Very low	144 Å²	144	132.3 Å²	132.3	87%	0.873	81%	0.805	S	S	*	*			trans	-142.6	144	166.3	178.7	0	0	0	0	110
262	P	36	Very low	31.6	Very low	124 Å²	124	136.4 Å²	136.4	81%	0.805	81%	0.813	S	S	*	*			trans	-93.7	162.6	-157.1	35.9	-33.1	0	0	0	116.4
263	A	30.3	Very low	31.7	Very low	96 Å²	96	135 Å²	135	79%	0.793	81%	0.812	S	S	*	*			trans	-87.5	164.8	-174.2	0	0	0	0	0	115.6
264	P	33.4	Very low	31.8	Very low	128 Å²	128	134.3 Å²	134.3	83%	0.831	81%	0.81	S	S	*	*			trans	-109.4	151.3	163.1	35.7	-24.7	0	0	0	114.2
265	V	30.5	Very low	31.7	Very low	146 Å²	146	134.9 Å²	134.9	89%	0.885	81%	0.813	S	S	*	*			trans	-107.7	146.7	178.4	175.1	0	0	0	0	110.9
266	K	31.1	Very low	31.4	Very low	196 Å²	196	136.7 Å²	136.7	85%	0.852	82%	0.816	S	S	*	*			trans	-56.8	152.4	178.7	-64.9	171.2	173.3	176	0	116.1
267	K	25.6	Very low	31.7	Very low	200 Å²	200	138 Å²	138	87%	0.87	82%	0.821	S	S	*	*			trans	-176.9	118.9	131.1	-101.9	171.4	-174.6	-177.9	0	115.1
268	S	28	Very low	31.6	Very low	118 Å²	118	138.9 Å²	138.9	83%	0.825	82%	0.821	S	S	*	*			trans	71.9	152.3	135.6	-51.6	0	0	0	0	125.3
269	P	42	Very low	31.4	Very low	126 Å²	126	140 Å²	140	82%	0.818	82%	0.817	S	S	*	*			trans	-130.1	173.8	-152.7	41.5	-23	0	0	0	117.4
270	A	24.6	Very low	31.3	Very low	95 Å²	95	139.6 Å²	139.6	79%	0.785	81%	0.814	S	S	*	*			trans	174.5	169.7	155.1	0	0	0	0	0	111.3
271	P	33.7	Very low	30.6	Very low	125 Å²	125	142.5 Å²	142.5	81%	0.812	82%	0.818	S	S	*	*			cis	-133.9	172.5	-35.2	34.3	-15	0	0	0	114.4
272	Q	34.8	Very low	30.3	Very low	189 Å²	189	145.5 Å²	145.5	88%	0.883	82%	0.82	S	S	*	*			trans	-91.1	161.7	170.6	-79.2	173.5	-40.7	0	0	113.3
273	P	29.8	Very low	29.9	Very low	121 Å²	121	144.6 Å²	144.6	79%	0.786	82%	0.816	S	S	*	*			trans	-110.6	166.6	153.3	26	-8.6	0	0	0	113.4
274	P	31.2	Very low	29.6	Very low	130 Å²	130	148.9 Å²	148.9	84%	0.844	82%	0.82	S	S	*	*			trans	-105.1	162.5	-132.7	18.4	-1	0	0	0	117.6
275	Q	30.2	Very low	29.6	Very low	177 Å²	177	148.5 Å²	148.5	83%	0.827	82%	0.817	S	S	*	*			trans	-88.9	162.4	165.8	-72.1	179	-39.5	0	0	112.5
276	L	26.6	Very low	29.3	Very low	158 Å²	158	146.2 Å²	146.2	83%	0.827	81%	0.813	S	S	*	*				158.4	162.1	123.7	-83.8	158.8	0	0	0	111
277	P	33.6	Very low	29.2	Very low	118 Å²	118	145.7 Å²	145.7	77%	0.766	81%	0.814	S	S	*	*			cis	-130.1	168.4	-9.7	21.6	2.9	0	0	0	115.5
278	Q	26.1	Very low	30	Very low	174 Å²	174	141.5 Å²	141.5	81%	0.813	81%	0.807	S	S	*	*			trans	-92.8	157.6	178	-50.5	171.5	-41.3	0	0	112.4
279	L	24.3	Very low	29.9	Very low	140 Å²	140	143.6 Å²	143.6	73%	0.733	81%	0.809	S	S	*	*				151.1	170.2	91.5	-100.8	141	0	0	0	107
280	P	33.7	Very low	29.2	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	81%	0.808	S	S	*	*			cis	-133.9	174.3	2.1	31.1	-7.7	0	0	0	116.7
281	Q	24.6	Very low	29.3	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	81%	0.807	S	S	*	*			trans	-65.9	150.7	174.8	-63.2	168.8	-38.1	0	0	114.1
282	F	25.5	Very low	29.7	Very low	207 Å²	207	142 Å²	142	91%	0.908	81%	0.807	S	S	*	*			trans	-138.4	146.4	148.1	-97.5	-81.3	0	0	0	111
283	S	27.3	Very low	29.3	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	80%	0.799	S	S	*	*			trans	-66.9	149.8	-166.6	40.2	0	0	0	0	117.9
284	E	24.9	Very low	29.2	Very low	187 Å²	187	139.8 Å²	139.8	87%	0.874	80%	0.801	S	S	*	*			trans	-59.4	149.9	155.6	-77.8	-169.5	141.5	0	0	111.6
285	P	32.5	Very low	29	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	80%	0.8	S	S	*	*				-150.4	153.8	89.6	35.5	-15.3	0	0	0	117.6
286	A	26	Very low	28.8	Very low	98 Å²	98	137 Å²	137	81%	0.81	79%	0.791	S	S	*	*			trans	58.7	125.1	141.8	0	0	0	0	0	122.9
287	H	28	Very low	28.8	Very low	186 Å²	186	136 Å²	136	86%	0.861	79%	0.791	S	S	*	*			trans	-59.6	164.4	154	-76.8	-69.1	0	0	0	112.3
288	P	42.9	Very low	28.7	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	79%	0.794	S	S	*	*			cis	-149.5	-179.5	32.9	38.5	-15.1	0	0	0	118.7
289	N	26.4	Very low	28.8	Very low	161 Å²	161	134 Å²	134	86%	0.861	79%	0.793	S	S	*	*			trans	94	134.1	150.4	-93.7	-2	0	0	0	123.1
290	A	27.1	Very low	29.1	Very low	97 Å²	97	134.5 Å²	134.5	80%	0.802	80%	0.802	S	S	*	*			trans	87.5	117.8	149	0	0	0	0	0	120.5
291	A	27	Very low	29	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	81%	0.807	S	S	*	*			trans	-70.4	-178.9	159	0	0	0	0	0	111.1
292	P	40.8	Very low	29.2	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	80%	0.797	S	S	*	*			cis	-136.1	-177.1	1.7	37.8	-17.1	0	0	0	115
293	A	27.8	Very low	29.8	Very low	87 Å²	87	124.8 Å²	124.8	72%	0.719	79%	0.794	S	S	*	*			trans	120.8	106	149.1	0	0	0	0	0	118.5
294	Q	26.1	Very low	29.9	Very low	177 Å²	177	128.7 Å²	128.7	83%	0.827	80%	0.801	S	S	*	*				63.7	139.1	123.7	-70.5	-173	-30.3	0	0	123.9
295	L	26.7	Very low	30.4	Very low	157 Å²	157	130.8 Å²	130.8	82%	0.822	80%	0.801	S	S	*	*			trans	81.8	140.2	159.1	-62.4	141.9	0	0	0	116.4
296	S	26.3	Very low	30.6	Very low	92 Å²	92	131 Å²	131	64%	0.643	80%	0.803	S	S	*	*			cis	175.4	129.8	-21.3	47.1	0	0	0	0	105.9
297	V	27.6	Very low	31.2	Very low	137 Å²	137	133 Å²	133	83%	0.83	81%	0.805	S	S	*	*			trans	69.6	114.5	147.9	-171.1	0	0	0	0	120
298	A	30.5	Very low	31.6	Very low	100 Å²	100	128.1 Å²	128.1	83%	0.826	80%	0.796	S	S	*	*				-170.4	125.3	118.7	0	0	0	0	0	111.5
299	D	28.5	Very low	31.3	Very low	149 Å²	149	128.3 Å²	128.3	80%	0.797	80%	0.798	S	S	*	*			trans	-61.2	151.1	-179.1	-75.5	-52.9	0	0	0	115.8
300	T	30.3	Very low	31.8	Very low	150 Å²	150	126.8 Å²	126.8	92%	0.92	80%	0.796	S	S	*	*				-154.9	131.2	121.6	-37.8	0	0	0	0	111
301	A	32.2	Very low	32	Very low	99 Å²	99	128 Å²	128	82%	0.818	80%	0.799	S	S	*	*			trans	-80.4	151.9	-162.8	0	0	0	0	0	116.6
302	G	29.7	Very low	32.3	Very low	60 Å²	60	130.5 Å²	130.5	62%	0.619	81%	0.805	S	S	*	*			trans	-112.1	160.3	156.2	0	0	0	0	0	110.4
303	P	37.2	Very low	32.1	Very low	132 Å²	132	129.4 Å²	129.4	86%	0.857	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-77.9	126	-161.5	30	-33.2	0	0	0	113.6
304	E	29.2	Very low	32.3	Very low	187 Å²	187	128.7 Å²	128.7	87%	0.874	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-78.5	143.8	175.1	-79.3	179.6	137.4	0	0	113
305	W	35.8	Very low	32.5	Very low	230 Å²	230	126 Å²	126	87%	0.871	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-78.6	154.5	165.5	-76	73.1	0	0	0	110.9	V307	W305-V307 PolarHBondContact O-N 3.14Å
306	P	36.5	Very low	33.2	Very low	125 Å²	125	124.1 Å²	124.1	81%	0.812	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.5	128.3	-174.2	-8.7	24.6	0	0	0	112.2
307	V	38.8	Very low	34.3	Very low	139 Å²	139	126.2 Å²	126.2	84%	0.842	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-85.8	139.9	174.2	179.2	0	0	0	0	110.4	W305	W305-V307 PolarHBondContact O-N 3.14Å
308	A	35.3	Very low	34.3	Very low	83 Å²	83	122.5 Å²	122.5	69%	0.686	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-66.6	155	176.5	0	0	0	0	0	113.2
309	P	37.6	Very low	34.5	Very low	117 Å²	117	122.7 Å²	122.7	76%	0.76	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.6	155.7	-176.3	29.7	-33.8	0	0	0	113
310	P	36.3	Very low	35.3	Very low	128 Å²	128	122.3 Å²	122.3	83%	0.831	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-81.5	136.3	-173.5	32.9	-32.2	0	0	0	112
311	S	30.9	Very low	35.6	Very low	123 Å²	123	120 Å²	120	86%	0.86	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-81.5	128.6	171.1	-56	0	0	0	0	111.2
312	V	34.1	Very low	35.9	Very low	146 Å²	146	119.5 Å²	119.5	89%	0.885	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-74.1	127.4	170.7	176.2	0	0	0	0	109.1
313	A	36	Very low	36.6	Very low	99 Å²	99	121.4 Å²	121.4	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.4	143.7	175.1	0	0	0	0	0	112
314	G	31.9	Very low	37.3	Very low	72 Å²	72	123.8 Å²	123.8	74%	0.742	80%	0.796	S	S	*	*			trans	138.6	91.1	145.1	0	0	0	0	0	116.8
315	S	30.5	Very low	39.2	Very low	121 Å²	121	119.9 Å²	119.9	85%	0.846	79%	0.787	S	S	*	*			trans	-153.7	145.4	145.8	-77.1	0	0	0	0	110.5
316	P	42.2	Very low	40.8	Very low	118 Å²	118	110.2 Å²	110.2	77%	0.766	75%	0.753	S	S	*	*			trans	-85.5	172.5	-159.5	37.3	-36.5	0	0	0	113.5	G318	P316-G318 PolarHBondContact O-N 2.99Å
317	P	48.6	Very low	42.7	Very low	136 Å²	136	108 Å²	108	88%	0.883	74%	0.738	S	S	*	*			trans	-82.4	121.4	-157.9	32.9	-29.9	0	0	0	111.3
318	G	28.6	Very low	44.1	Very low	58 Å²	58	108.4 Å²	108.4	60%	0.598	73%	0.733	S	S	*	*			trans	-133.2	101.1	172.7	0	0	0	0	0	110.8	P316	P316-G318 PolarHBondContact O-N 2.99Å
319	S	34.3	Very low	46.1	Very low	105 Å²	105	106.2 Å²	106.2	73%	0.734	71%	0.711	S	S	*	*			trans	54.4	144.6	159.1	47.9	0	0	0	0	119.4	S321	S319-S321 VanDerWaalsContact C-N 3.34Å; S319-S321 PolarHBondContact O-N 2.94Å
320	P	45.9	Very low	48.3	Very low	140 Å²	140	103.1 Å²	103.1	91%	0.909	69%	0.688	S	S	*	*			trans	-75.1	87.2	177.2	32.4	-31.1	0	0	0	109.2
321	S	36.1	Very low	50.5	Low	101 Å²	101	97 Å²	97	71%	0.706	65%	0.648	S	S	*	*			trans	-89.3	111.5	172.4	55.1	0	0	0	0	109.6	S319	S319-S321 VanDerWaalsContact C-N 3.34Å; S319-S321 PolarHBondContact O-N 2.94Å
322	A	37.8	Very low	53	Low	89 Å²	89	91.4 Å²	91.4	74%	0.736	61%	0.609	S	S	*	*			trans	44.5	113.9	153.5	0	0	0	0	0	117.8	E324	A322-E324 PolarHBondContact O-N 3.4Å; A322-E324 VanDerWaalsContact O-N 3.11Å
323	S	46.1	Very low	55.4	Low	100 Å²	100	87.3 Å²	87.3	70%	0.699	58%	0.58	S	S	*	*			trans	-42	118.3	158.5	53.4	0	0	0	0	110.2
324	E	50.8	Low	57.9	Low	182 Å²	182	85.3 Å²	85.3	85%	0.85	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-53	129.3	170.2	-78.1	-174.9	151.6	0	0	108.5	A322 V326	A322-E324 PolarHBondContact O-N 3.4Å; A322-E324 VanDerWaalsContact O-N 3.11Å; E324-V326 PolarHBondContact O-N 2.86Å
325	P	69.1	Low	60.6	Low	105 Å²	105	82.1 Å²	82.1	68%	0.682	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-65.2	131.7	-178.2	26.3	-32	0	0	0	108.9
326	V	70.1	Confident	63.2	Low	27 Å²	27	78 Å²	78	16%	0.164	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-52.4	125.8	172.8	177.8	0	0	0	0	108.6	E324 M328 I330 A370 V374	E324-V326 PolarHBondContact O-N 2.86Å; V326-M328 PolarHBondContact O-N 2.93Å; V326-I330 HydrophobicContact CG1-CD1 4.32Å; V326-I330 HydrophobicContact CG1-CG2 3.68Å; V326-A370 HydrophobicContact CG2-CB 3.68Å; V326-V374 HydrophobicContact CG1-CG2 3.79Å
327	P	75.1	Confident	65.4	Low	78 Å²	78	77.1 Å²	77.1	51%	0.506	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-57	135.1	177.5	-24.9	33.7	0	0	0	110.9	T329 I330	P327-T329 PolarHBondContact O-N 2.89Å; P327-T329 VanDerWaalsContact O-N 3.08Å; P327-I330 VanDerWaalsContact O-CG2 3.25Å; P327-I330 WeakPolarHBondContact O-CG2 3.08Å; P327-I330 PolarHBondContact O-N 3.46Å
328	M	69.3	Low	67.4	Low	148 Å²	148	72.5 Å²	72.5	73%	0.729	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.8	178.4	-63.8	-61.3	-178.7	0	0	113.1	V326 S377	V326-M328 PolarHBondContact O-N 2.93Å; M328-S377 PolarHBondContact O-OG 3.41Å
329	T	77.7	Confident	70.3	Confident	38 Å²	38	70.9 Å²	70.9	23%	0.233	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-14.6	-178.8	63.8	0	0	0	0	113.5	P327 S331 A332 E333 A387	P327-T329 PolarHBondContact O-N 2.89Å; P327-T329 VanDerWaalsContact O-N 3.08Å; T329-S331 PolarHBondContact O-N 2.62Å; T329-S331 VanDerWaalsContact O-N 3.16Å; T329-A332 PolarHBondContact O-N 3.09Å; T329-A332 VanDerWaalsContact O-N 3.09Å; T329-E333 WeakPolarHBondContact CB-OE1 3.13Å; T329-E333 PolarHBondContact O-N 3.36Å; T329-E333 PolarHBondContact OG1-OE1 2.73Å; T329-A387 WeakPolarHBondContact CB-O 3.1Å; T329-A387 WeakPolarHBondContact CG2-O 3.37Å
330	I	82.7	Confident	72.7	Confident	51 Å²	51	72.5 Å²	72.5	26%	0.262	42%	0.416	S	S	.	.	H	α-helix	trans	-60.6	-34.1	-170.1	-163.1	167	0	0	0	112.8	V326 P327 E333 L334 V374	V326-I330 HydrophobicContact CG1-CD1 4.32Å; V326-I330 HydrophobicContact CG1-CG2 3.68Å; P327-I330 VanDerWaalsContact O-CG2 3.25Å; P327-I330 WeakPolarHBondContact O-CG2 3.08Å; P327-I330 PolarHBondContact O-N 3.46Å; I330-E333 PolarHBondContact O-N 3.4Å; I330-L334 HydrophobicContact CG1-CD1 4.27Å; I330-L334 HydrophobicContact CG1-CG 4.44Å; I330-L334 WeakPolarHBondContact O-CB 3.42Å; I330-L334 VanDerWaalsContact O-CG 3.24Å; I330-L334 WeakPolarHBondContact O-CG 3.48Å; I330-L334 PolarHBondContact O-N 3.42Å; I330-V374 HydrophobicContact CG2-CG1 4.29Å; I330-V374 HydrophobicContact CG2-CG2 3.79Å
331	S	83.7	Confident	74.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-65.3	-43.8	178.9	-55.7	0	0	0	0	111.5	T329 L334 I335 V374 S377	T329-S331 PolarHBondContact O-N 2.62Å; T329-S331 VanDerWaalsContact O-N 3.16Å; S331-L334 PolarHBondContact O-N 3.27Å; S331-I335 VanDerWaalsContact O-CG1 3.26Å; S331-I335 WeakPolarHBondContact O-CG1 3.48Å; S331-I335 PolarHBondContact O-N 3.05Å; S331-V374 PolarHBondContact OG-O 3.04Å; S331-S377 WeakPolarHBondContact CB-OG 3.09Å; S331-S377 VanDerWaalsContact OG-CB 3.24Å; S331-S377 WeakPolarHBondContact OG-CB 3.49Å; S331-S377 PolarHBondContact OG-OG 3.28Å
332	A	82.4	Confident	77.3	Confident	6 Å²	6	71 Å²	71	5%	0.05	40%	0.396	C	S	.	.	H	α-helix	trans	-66.2	-42.9	176.6	0	0	0	0	0	111.3	T329 L334 I335 E336 L384 A387 L388	T329-A332 PolarHBondContact O-N 3.09Å; T329-A332 VanDerWaalsContact O-N 3.09Å; A332-L334 PolarHBondContact O-N 3.06Å; A332-I335 PolarHBondContact O-N 3.27Å; A332-E336 WeakPolarHBondContact O-CB 3.37Å; A332-E336 PolarHBondContact O-N 2.75Å; A332-L384 HydrophobicContact CB-CB 4.27Å; A332-L384 HydrophobicContact CB-CD2 3.79Å; A332-L384 VanDerWaalsContact CB-O 3.23Å; A332-L384 WeakPolarHBondContact CB-O 3.39Å; A332-A387 HydrophobicContact CB-CB 4.13Å; A332-L388 HydrophobicContact CB-CD2 4.47Å
333	E	85.1	Confident	79.6	Confident	59 Å²	59	69 Å²	69	28%	0.276	38%	0.384	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.8	-68.6	171.2	-142.5	0	0	112	T329 I330 E336 L337 L388 P389	T329-E333 WeakPolarHBondContact CB-OE1 3.13Å; T329-E333 PolarHBondContact O-N 3.36Å; T329-E333 PolarHBondContact OG1-OE1 2.73Å; I330-E333 PolarHBondContact O-N 3.4Å; E333-E336 PolarHBondContact O-N 3.03Å; E333-L337 WeakPolarHBondContact O-CB 3.49Å; E333-L337 VanDerWaalsContact O-CG 3.24Å; E333-L337 WeakPolarHBondContact O-CG 3.13Å; E333-L337 PolarHBondContact O-N 3.04Å; E333-L388 HydrophobicContact CG-CD2 4.04Å; E333-P389 WeakPolarHBondContact OE1-CD 3.36Å; E333-P389 WeakPolarHBondContact OE1-CG 3.37Å
334	L	88.2	Confident	81.7	Confident	58 Å²	58	67.2 Å²	67.2	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-41.7	177.2	-73.8	173.2	0	0	0	112.1	I330 S331 A332 L337 V338 V353 V374	I330-L334 HydrophobicContact CG1-CD1 4.27Å; I330-L334 HydrophobicContact CG1-CG 4.44Å; I330-L334 WeakPolarHBondContact O-CB 3.42Å; I330-L334 VanDerWaalsContact O-CG 3.24Å; I330-L334 WeakPolarHBondContact O-CG 3.48Å; I330-L334 PolarHBondContact O-N 3.42Å; S331-L334 PolarHBondContact O-N 3.27Å; A332-L334 PolarHBondContact O-N 3.06Å; L334-L337 PolarHBondContact O-N 3.37Å; L334-V338 WeakPolarHBondContact O-CB 3.4Å; L334-V338 VanDerWaalsContact O-CG2 3.3Å; L334-V338 WeakPolarHBondContact O-CG2 3.45Å; L334-V338 PolarHBondContact O-N 3Å; L334-V353 HydrophobicContact CB-CG1 3.96Å; L334-V353 HydrophobicContact CB-CG2 4.04Å; L334-V353 HydrophobicContact CD1-CG1 4.04Å; L334-V374 HydrophobicContact CD1-CG1 4.41Å
335	I	87.6	Confident	83.5	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-48	175.4	-71.6	168.2	0	0	0	110.1	S331 A332 L337 V338 R339 F346 R350 V353 L378 L384	S331-I335 VanDerWaalsContact O-CG1 3.26Å; S331-I335 WeakPolarHBondContact O-CG1 3.48Å; S331-I335 PolarHBondContact O-N 3.05Å; A332-I335 PolarHBondContact O-N 3.27Å; I335-L337 PolarHBondContact O-N 2.95Å; I335-V338 PolarHBondContact O-N 3.37Å; I335-R339 WeakPolarHBondContact O-CB 3.38Å; I335-R339 PolarHBondContact O-N 2.97Å; I335-F346 HydrophobicContact CG2-CD2 3.76Å; I335-F346 HydrophobicContact CG2-CE2 3.78Å; I335-R350 HydrophobicContact CD1-CB 4.08Å; I335-R350 HydrophobicContact CD1-CG 4.16Å; I335-R350 HydrophobicContact CG1-CB 4.48Å; I335-V353 HydrophobicContact CG1-CG2 4.25Å; I335-L378 HydrophobicContact CD1-CD2 3.54Å; I335-L378 HydrophobicContact CG1-CD2 4.04Å; I335-L384 HydrophobicContact CD1-CD1 3.69Å; I335-L384 HydrophobicContact CD1-CD2 4.37Å
336	E	85.6	Confident	84.5	Confident	35 Å²	35	56.1 Å²	56.1	16%	0.164	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-43.9	179.2	-176.6	64.4	-161.6	0	0	111.5	A332 E333 R339 K340 C394 H395	A332-E336 WeakPolarHBondContact O-CB 3.37Å; A332-E336 PolarHBondContact O-N 2.75Å; E333-E336 PolarHBondContact O-N 3.03Å; E336-R339 PolarHBondContact O-N 3.29Å; E336-K340 VanDerWaalsContact O-CB 3.22Å; E336-K340 WeakPolarHBondContact O-CB 3.35Å; E336-K340 PolarHBondContact O-N 2.76Å; E336-C394 PolarHBondContact OE2-SG 3.2Å; E336-H395 WeakPolarHBondContact OE1-CB 3.29Å; E336-H395 PolarHBondContact OE1-N 3.35Å
337	L	87.8	Confident	85.3	Confident	99 Å²	99	58.9 Å²	58.9	52%	0.518	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-48.2	176.4	-75.8	169.7	0	0	0	112	E333 L334 I335 R339 N341	E333-L337 WeakPolarHBondContact O-CB 3.49Å; E333-L337 VanDerWaalsContact O-CG 3.24Å; E333-L337 WeakPolarHBondContact O-CG 3.13Å; E333-L337 PolarHBondContact O-N 3.04Å; L334-L337 PolarHBondContact O-N 3.37Å; I335-L337 PolarHBondContact O-N 2.95Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 2.96Å; L337-N341 VanDerWaalsContact O-CB 3.31Å; L337-N341 WeakPolarHBondContact O-CB 3.49Å; L337-N341 PolarHBondContact O-N 3.42Å; L337-N341 VanDerWaalsContact O-N 3.1Å; L337-N341 PolarHBondContact O-OD1 3.36Å
338	V	90.7	Very high	86.1	Confident	40 Å²	40	59.3 Å²	59.3	24%	0.242	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-47.5	177.5	170.1	0	0	0	0	109.7	L334 I335 N341 T342 L344 A352 V353	L334-V338 WeakPolarHBondContact O-CB 3.4Å; L334-V338 VanDerWaalsContact O-CG2 3.3Å; L334-V338 WeakPolarHBondContact O-CG2 3.45Å; L334-V338 PolarHBondContact O-N 3Å; I335-V338 PolarHBondContact O-N 3.37Å; V338-N341 PolarHBondContact O-N 3.1Å; V338-T342 HydrophobicContact CG1-CG2 4.29Å; V338-T342 VanDerWaalsContact O-CB 3.28Å; V338-T342 WeakPolarHBondContact O-CB 3.37Å; V338-T342 VanDerWaalsContact O-CG2 3.31Å; V338-T342 WeakPolarHBondContact O-CG2 3.45Å; V338-T342 PolarHBondContact O-N 3.12Å; V338-T342 PolarHBondContact O-OG1 3.2Å; V338-L344 HydrophobicContact CG1-CD1 4.19Å; V338-A352 HydrophobicContact CG1-CB 4.42Å; V338-V353 HydrophobicContact CB-CG2 4.44Å; V338-V353 HydrophobicContact CG2-CG2 3.82Å
339	R	89.6	Confident	87.1	Confident	23 Å²	23	52.3 Å²	52.3	9%	0.087	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-51.5	-178.8	-179.9	168.6	177.5	83	-3.8	112.3	I335 E336 L337 N341 T342 G343 L344 S345 D396 D441 A442	I335-R339 WeakPolarHBondContact O-CB 3.38Å; I335-R339 PolarHBondContact O-N 2.97Å; E336-R339 PolarHBondContact O-N 3.29Å; L337-R339 VanDerWaalsContact C-N 3.33Å; L337-R339 PolarHBondContact O-N 2.96Å; R339-N341 VanDerWaalsContact C-N 3.25Å; R339-N341 PolarHBondContact O-N 2.72Å; R339-T342 PolarHBondContact O-N 3.29Å; R339-G343 WeakPolarHBondContact O-CA 3.09Å; R339-G343 PolarHBondContact O-N 3.43Å; R339-L344 PolarHBondContact NH1-O 3.27Å; R339-S345 VanDerWaalsContact NH1-C 3.25Å; R339-D396 IonicContact CZ-OD2 3.89Å; R339-D396 IonicContact NE-OD1 3.42Å; R339-D396 IonicContact NE-OD2 2.72Å; R339-D396 PolarHBondContact NE-OD2 3.29Å; R339-D396 IonicContact NH2-OD1 3.76Å; R339-D396 IonicContact NH2-OD2 2.66Å; R339-D396 PolarHBondContact NH2-OD2 3.03Å; R339-D441 PolarHBondContact NH1-O 3.37Å; R339-D441 PolarHBondContact NH2-O 3.06Å; R339-A442 VanDerWaalsContact NH2-CB 3.28Å
340	K	86.2	Confident	87.7	Confident	139 Å²	139	54.6 Å²	54.6	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-59.1	-36.2	179.6	-177.4	177.3	179	176.2	0	112.7	E336	E336-K340 VanDerWaalsContact O-CB 3.22Å; E336-K340 WeakPolarHBondContact O-CB 3.35Å; E336-K340 PolarHBondContact O-N 2.76Å
341	N	88.7	Confident	88.2	Confident	128 Å²	128	55.6 Å²	55.6	68%	0.684	29%	0.294	S	S	*	.	H	α-helix	trans	-91.2	-19.7	-175.2	-72.3	73	0	0	0	114.2	L337 V338 R339	L337-N341 VanDerWaalsContact O-CB 3.31Å; L337-N341 WeakPolarHBondContact O-CB 3.49Å; L337-N341 PolarHBondContact O-N 3.42Å; L337-N341 VanDerWaalsContact O-N 3.1Å; L337-N341 PolarHBondContact O-OD1 3.36Å; V338-N341 PolarHBondContact O-N 3.1Å; R339-N341 VanDerWaalsContact C-N 3.25Å; R339-N341 PolarHBondContact O-N 2.72Å
342	T	90.1	Very high	88.6	Confident	83 Å²	83	57.2 Å²	57.2	51%	0.509	31%	0.307	S	S	.	.	H	α-helix	trans	-116.5	-20.4	-175	66.1	0	0	0	0	114.1	V338 R339 L344	V338-T342 HydrophobicContact CG1-CG2 4.29Å; V338-T342 VanDerWaalsContact O-CB 3.28Å; V338-T342 WeakPolarHBondContact O-CB 3.37Å; V338-T342 VanDerWaalsContact O-CG2 3.31Å; V338-T342 WeakPolarHBondContact O-CG2 3.45Å; V338-T342 PolarHBondContact O-N 3.12Å; V338-T342 PolarHBondContact O-OG1 3.2Å; R339-T342 PolarHBondContact O-N 3.29Å; T342-L344 PolarHBondContact O-N 2.99Å; T342-L344 WeakPolarHBondContact OG1-CB 3.28Å; T342-L344 WeakPolarHBondContact OG1-CD1 2.96Å; T342-L344 VanDerWaalsContact OG1-CG 3.25Å; T342-L344 WeakPolarHBondContact OG1-CG 3.42Å; T342-L344 PolarHBondContact OG1-N 3.33Å
343	G	84.4	Confident	89.1	Confident	46 Å²	46	57.3 Å²	57.3	47%	0.474	31%	0.307	S	S	.	.			trans	69.3	14.2	-173.1	0	0	0	0	0	114.4	R339	R339-G343 WeakPolarHBondContact O-CA 3.09Å; R339-G343 PolarHBondContact O-N 3.43Å
344	L	90.4	Very high	89.4	Confident	63 Å²	63	55.5 Å²	55.5	33%	0.33	31%	0.305	S	S	.	.			trans	-65.8	152.4	173.9	-71.3	175.3	0	0	0	111.5	V338 R339 T342 L348 S349 A352	V338-L344 HydrophobicContact CG1-CD1 4.19Å; R339-L344 PolarHBondContact NH1-O 3.27Å; T342-L344 PolarHBondContact O-N 2.99Å; T342-L344 WeakPolarHBondContact OG1-CB 3.28Å; T342-L344 WeakPolarHBondContact OG1-CD1 2.96Å; T342-L344 VanDerWaalsContact OG1-CG 3.25Å; T342-L344 WeakPolarHBondContact OG1-CG 3.42Å; T342-L344 PolarHBondContact OG1-N 3.33Å; L344-L348 HydrophobicContact CB-CB 4.16Å; L344-L348 HydrophobicContact CD2-CB 4.32Å; L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-S349 WeakPolarHBondContact CB-OG 3.06Å; L344-S349 PolarHBondContact O-OG 2.97Å; L344-A352 HydrophobicContact CD1-CB 4.45Å
345	S	89.8	Confident	89.7	Confident	23 Å²	23	57.4 Å²	57.4	16%	0.161	32%	0.319	C	S	.	.			trans	-60.7	160.8	171.4	75.8	0	0	0	0	111.3	R339 E347 L348 S349 D441	R339-S345 VanDerWaalsContact NH1-C 3.25Å; S345-E347 VanDerWaalsContact C-N 3.28Å; S345-E347 PolarHBondContact O-N 2.8Å; S345-L348 PolarHBondContact O-N 3.42Å; S345-L348 WeakPolarHBondContact OG-CB 3.29Å; S345-L348 VanDerWaalsContact OG-CG 3.23Å; S345-L348 WeakPolarHBondContact OG-CG 3.42Å; S345-L348 PolarHBondContact OG-N 3Å; S345-S349 VanDerWaalsContact O-CB 3.32Å; S345-S349 WeakPolarHBondContact O-CB 3.35Å; S345-S349 PolarHBondContact O-N 3.38Å; S345-S349 PolarHBondContact O-OG 3.4Å; S345-D441 CarbonylContact C-O 3.51Å; S345-D441 WeakPolarHBondContact CA-O 3.47Å
346	F	88.6	Confident	90.1	Very high	31 Å²	31	61.4 Å²	61.4	14%	0.136	34%	0.343	C	S	.	.	H	α-helix	trans	-57.7	-45.5	179.2	173.5	-100.3	0	0	0	110.6	I335 S349 R350 L384 D441 D443	I335-F346 HydrophobicContact CG2-CD2 3.76Å; I335-F346 HydrophobicContact CG2-CE2 3.78Å; F346-S349 PolarHBondContact O-N 3.37Å; F346-R350 WeakPolarHBondContact O-CB 3.5Å; F346-R350 PolarHBondContact O-N 2.93Å; F346-L384 HydrophobicContact CE2-CB 4.44Å; F346-L384 HydrophobicContact CE2-CD1 4.38Å; F346-L384 HydrophobicContact CZ-CB 4.21Å; F346-L384 HydrophobicContact CZ-CD1 3.72Å; F346-D441 PolarHBondContact N-O 3.25Å; F346-D443 HydrophobicContact CD2-CB 3.8Å; F346-D443 HydrophobicContact CE2-CB 3.87Å; F346-D443 HydrophobicContact CG-CB 4.13Å; F346-D443 HydrophobicContact CZ-CB 4.27Å
347	E	88.2	Confident	90.4	Very high	84 Å²	84	60.2 Å²	60.2	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-45.2	176.8	-171.9	55.4	-140.3	0	0	112.1	S345 S349 R350 V351	S345-E347 VanDerWaalsContact C-N 3.28Å; S345-E347 PolarHBondContact O-N 2.8Å; E347-S349 VanDerWaalsContact C-N 3.3Å; E347-S349 PolarHBondContact O-N 3.32Å; E347-R350 WeakPolarHBondContact O-CB 3.33Å; E347-R350 PolarHBondContact O-N 3.15Å; E347-R350 IonicContact OE1-CZ 3.8Å; E347-R350 IonicContact OE1-NE 2.62Å; E347-R350 PolarHBondContact OE1-NE 3.14Å; E347-R350 IonicContact OE1-NH2 3.17Å; E347-R350 PolarHBondContact OE1-NH2 3.34Å; E347-R350 IonicContact OE2-CZ 2.64Å; E347-R350 IonicContact OE2-NE 2.71Å; E347-R350 PolarHBondContact OE2-NE 3.15Å; E347-R350 IonicContact OE2-NH2 3.09Å; E347-R350 PolarHBondContact OE2-NH2 3.41Å; E347-V351 WeakPolarHBondContact O-CG2 3.27Å; E347-V351 PolarHBondContact O-N 3.32Å
348	L	90.9	Very high	90.6	Very high	88 Å²	88	56.4 Å²	56.4	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-66.3	-33.9	177.8	-69.8	175.2	0	0	0	112.2	L344 S345 V351 A352	L344-L348 HydrophobicContact CB-CB 4.16Å; L344-L348 HydrophobicContact CD2-CB 4.32Å; L344-L348 HydrophobicContact CD2-CD1 4.3Å; S345-L348 PolarHBondContact O-N 3.42Å; S345-L348 WeakPolarHBondContact OG-CB 3.29Å; S345-L348 VanDerWaalsContact OG-CG 3.23Å; S345-L348 WeakPolarHBondContact OG-CG 3.42Å; S345-L348 PolarHBondContact OG-N 3Å; L348-V351 PolarHBondContact O-N 3.12Å; L348-A352 VanDerWaalsContact O-CB 3.29Å; L348-A352 WeakPolarHBondContact O-CB 3.38Å; L348-A352 PolarHBondContact O-N 2.9Å
349	S	91.7	Very high	90.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-43.2	174.5	-57.9	0	0	0	0	110.6	L344 S345 F346 E347 V351 A352 V353	L344-S349 WeakPolarHBondContact CB-OG 3.06Å; L344-S349 PolarHBondContact O-OG 2.97Å; S345-S349 VanDerWaalsContact O-CB 3.32Å; S345-S349 WeakPolarHBondContact O-CB 3.35Å; S345-S349 PolarHBondContact O-N 3.38Å; S345-S349 PolarHBondContact O-OG 3.4Å; F346-S349 PolarHBondContact O-N 3.37Å; E347-S349 VanDerWaalsContact C-N 3.3Å; E347-S349 PolarHBondContact O-N 3.32Å; S349-V351 PolarHBondContact O-N 2.89Å; S349-A352 PolarHBondContact O-N 3.44Å; S349-V353 VanDerWaalsContact O-CG2 3.31Å; S349-V353 WeakPolarHBondContact O-CG2 3.39Å; S349-V353 PolarHBondContact O-N 2.9Å
350	R	89.9	Confident	90.9	Very high	86 Å²	86	62.7 Å²	62.7	33%	0.325	35%	0.352	S	S	.	.	H	α-helix	trans	-59.4	-46	173.2	-174.9	176.1	73.6	165	2.2	111.8	I335 F346 E347 V353 G354 L378	I335-R350 HydrophobicContact CD1-CB 4.08Å; I335-R350 HydrophobicContact CD1-CG 4.16Å; I335-R350 HydrophobicContact CG1-CB 4.48Å; F346-R350 WeakPolarHBondContact O-CB 3.5Å; F346-R350 PolarHBondContact O-N 2.93Å; E347-R350 WeakPolarHBondContact O-CB 3.33Å; E347-R350 PolarHBondContact O-N 3.15Å; E347-R350 IonicContact OE1-CZ 3.8Å; E347-R350 IonicContact OE1-NE 2.62Å; E347-R350 PolarHBondContact OE1-NE 3.14Å; E347-R350 IonicContact OE1-NH2 3.17Å; E347-R350 PolarHBondContact OE1-NH2 3.34Å; E347-R350 IonicContact OE2-CZ 2.64Å; E347-R350 IonicContact OE2-NE 2.71Å; E347-R350 PolarHBondContact OE2-NE 3.15Å; E347-R350 IonicContact OE2-NH2 3.09Å; E347-R350 PolarHBondContact OE2-NH2 3.41Å; R350-V353 PolarHBondContact O-N 3.14Å; R350-G354 PolarHBondContact O-N 3.31Å; R350-L378 HydrophobicContact CG-CD2 4.33Å
351	V	91.9	Very high	91.2	Very high	73 Å²	73	58.4 Å²	58.4	44%	0.442	34%	0.335	S	S	.	.	H	α-helix	trans	-62.5	-45.1	175.6	171.9	0	0	0	0	110.9	E347 L348 S349 V353 G354 V355	E347-V351 WeakPolarHBondContact O-CG2 3.27Å; E347-V351 PolarHBondContact O-N 3.32Å; L348-V351 PolarHBondContact O-N 3.12Å; S349-V351 PolarHBondContact O-N 2.89Å; V351-V353 PolarHBondContact O-N 3.44Å; V351-G354 PolarHBondContact O-N 3.41Å; V351-V355 HydrophobicContact CG1-CG2 4.2Å; V351-V355 WeakPolarHBondContact O-CB 3.34Å; V351-V355 VanDerWaalsContact O-CG2 3.28Å; V351-V355 WeakPolarHBondContact O-CG2 3.48Å; V351-V355 PolarHBondContact O-N 3.46Å
352	A	93.6	Very high	91.3	Very high	33 Å²	33	57.3 Å²	57.3	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-46.9	179.1	0	0	0	0	0	111.9	V338 L344 L348 S349 V355 V356	V338-A352 HydrophobicContact CG1-CB 4.42Å; L344-A352 HydrophobicContact CD1-CB 4.45Å; L348-A352 VanDerWaalsContact O-CB 3.29Å; L348-A352 WeakPolarHBondContact O-CB 3.38Å; L348-A352 PolarHBondContact O-N 2.9Å; S349-A352 PolarHBondContact O-N 3.44Å; A352-V355 PolarHBondContact O-N 2.98Å; A352-V356 WeakPolarHBondContact O-CG2 3.37Å; A352-V356 PolarHBondContact O-N 3.18Å
353	V	92.3	Very high	91.5	Very high	8 Å²	8	56 Å²	56	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-46.9	174.8	178.7	0	0	0	0	110.1	L334 I335 V338 S349 R350 V351 V355 V356 V357 L378	L334-V353 HydrophobicContact CB-CG1 3.96Å; L334-V353 HydrophobicContact CB-CG2 4.04Å; L334-V353 HydrophobicContact CD1-CG1 4.04Å; I335-V353 HydrophobicContact CG1-CG2 4.25Å; V338-V353 HydrophobicContact CB-CG2 4.44Å; V338-V353 HydrophobicContact CG2-CG2 3.82Å; S349-V353 VanDerWaalsContact O-CG2 3.31Å; S349-V353 WeakPolarHBondContact O-CG2 3.39Å; S349-V353 PolarHBondContact O-N 2.9Å; R350-V353 PolarHBondContact O-N 3.14Å; V351-V353 PolarHBondContact O-N 3.44Å; V353-V355 PolarHBondContact O-N 2.99Å; V353-V356 PolarHBondContact O-N 3.46Å; V353-V357 HydrophobicContact CG1-CG2 3.93Å; V353-V357 VanDerWaalsContact O-CB 3.3Å; V353-V357 WeakPolarHBondContact O-CB 3.4Å; V353-V357 VanDerWaalsContact O-CG2 3.22Å; V353-V357 WeakPolarHBondContact O-CG2 3.24Å; V353-V357 PolarHBondContact O-N 3.44Å; V353-L378 HydrophobicContact CB-CD1 4.46Å; V353-L378 HydrophobicContact CG1-CD1 3.84Å; V353-L378 HydrophobicContact CG1-CD2 4.29Å
354	G	91.6	Very high	91.9	Very high	22 Å²	22	58.1 Å²	58.1	23%	0.227	33%	0.33	C	S	.	.	H	α-helix	trans	-59.2	-42.5	178.8	0	0	0	0	0	113.6	R350 V351 G358	R350-G354 PolarHBondContact O-N 3.31Å; V351-G354 PolarHBondContact O-N 3.41Å; G354-G358 WeakPolarHBondContact O-CA 3.47Å; G354-G358 PolarHBondContact O-N 3.34Å
355	V	94.4	Very high	91.7	Very high	98 Å²	98	60.2 Å²	60.2	59%	0.594	35%	0.347	S	S	*	.	H	α-helix	trans	-65.8	-46	177.6	170.2	0	0	0	0	111.2	V351 A352 V353 H359	V351-V355 HydrophobicContact CG1-CG2 4.2Å; V351-V355 WeakPolarHBondContact O-CB 3.34Å; V351-V355 VanDerWaalsContact O-CG2 3.28Å; V351-V355 WeakPolarHBondContact O-CG2 3.48Å; V351-V355 PolarHBondContact O-N 3.46Å; A352-V355 PolarHBondContact O-N 2.98Å; V353-V355 PolarHBondContact O-N 2.99Å; V355-H359 WeakPolarHBondContact O-CB 3.47Å; V355-H359 PolarHBondContact O-N 3.01Å
356	V	94.8	Very high	91.6	Very high	87 Å²	87	68.7 Å²	68.7	53%	0.527	38%	0.384	S	S	.	.	H	α-helix	trans	-66.4	-49.2	-179.5	173.3	0	0	0	0	110.7	A352 V353 G358 H359 L360	A352-V356 WeakPolarHBondContact O-CG2 3.37Å; A352-V356 PolarHBondContact O-N 3.18Å; V353-V356 PolarHBondContact O-N 3.46Å; V356-G358 VanDerWaalsContact C-N 3.35Å; V356-G358 PolarHBondContact O-N 3.28Å; V356-H359 PolarHBondContact O-N 3.3Å; V356-L360 HydrophobicContact CG1-CD1 4.05Å; V356-L360 VanDerWaalsContact O-CG 3.3Å; V356-L360 WeakPolarHBondContact O-CG 3.48Å; V356-L360 PolarHBondContact O-N 3.25Å
357	V	92.4	Very high	91.6	Very high	10 Å²	10	69 Å²	69	6%	0.061	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-41.3	179.1	174.2	0	0	0	0	110.7	V353 L360 Q361 L371 V374 L375	V353-V357 HydrophobicContact CG1-CG2 3.93Å; V353-V357 VanDerWaalsContact O-CB 3.3Å; V353-V357 WeakPolarHBondContact O-CB 3.4Å; V353-V357 VanDerWaalsContact O-CG2 3.22Å; V353-V357 WeakPolarHBondContact O-CG2 3.24Å; V353-V357 PolarHBondContact O-N 3.44Å; V357-L360 PolarHBondContact O-N 2.93Å; V357-Q361 WeakPolarHBondContact O-CB 3.36Å; V357-Q361 PolarHBondContact O-N 3.49Å; V357-L371 HydrophobicContact CG1-CB 4.01Å; V357-L371 HydrophobicContact CG1-CD2 3.9Å; V357-V374 HydrophobicContact CG1-CB 4.09Å; V357-V374 HydrophobicContact CG1-CG1 4.1Å; V357-V374 HydrophobicContact CG2-CG1 4.22Å; V357-L375 HydrophobicContact CB-CD2 3.91Å; V357-L375 HydrophobicContact CB-CG 4.45Å; V357-L375 HydrophobicContact CG1-CD1 4.38Å; V357-L375 HydrophobicContact CG1-CD2 3.7Å; V357-L375 HydrophobicContact CG1-CG 3.69Å
358	G	91.9	Very high	91.5	Very high	20 Å²	20	66.1 Å²	66.1	21%	0.206	38%	0.384	C	S	.	.	H	α-helix	trans	-62.4	-42.8	175.8	0	0	0	0	0	112.8	G354 V356 Q361 T362	G354-G358 WeakPolarHBondContact O-CA 3.47Å; G354-G358 PolarHBondContact O-N 3.34Å; V356-G358 VanDerWaalsContact C-N 3.35Å; V356-G358 PolarHBondContact O-N 3.28Å; G358-Q361 WeakPolarHBondContact O-CB 3.4Å; G358-Q361 PolarHBondContact O-N 3.26Å; G358-T362 PolarHBondContact O-N 3.46Å
359	H	93.7	Very high	91.3	Very high	125 Å²	125	64.7 Å²	64.7	58%	0.579	38%	0.384	S	S	*	.	H	α-helix	trans	-64.7	-45	174.6	-174.5	62.1	0	0	0	111.7	V355 V356 Q361 T362 A363	V355-H359 WeakPolarHBondContact O-CB 3.47Å; V355-H359 PolarHBondContact O-N 3.01Å; V356-H359 PolarHBondContact O-N 3.3Å; H359-Q361 VanDerWaalsContact C-N 3.26Å; H359-Q361 PolarHBondContact O-N 3.29Å; H359-T362 PolarHBondContact O-N 3.33Å; H359-T362 VanDerWaalsContact O-N 3.12Å; H359-T362 PolarHBondContact O-OG1 2.91Å; H359-A363 WeakPolarHBondContact O-CB 3.28Å; H359-A363 PolarHBondContact O-N 2.87Å
360	L	92.9	Very high	91.1	Very high	70 Å²	70	66.4 Å²	66.4	37%	0.366	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-35.7	176.4	-70.6	174.2	0	0	0	112.1	V356 V357 T362 A363 L364 L371	V356-L360 HydrophobicContact CG1-CD1 4.05Å; V356-L360 VanDerWaalsContact O-CG 3.3Å; V356-L360 WeakPolarHBondContact O-CG 3.48Å; V356-L360 PolarHBondContact O-N 3.25Å; V357-L360 PolarHBondContact O-N 2.93Å; L360-T362 VanDerWaalsContact C-N 3.31Å; L360-T362 PolarHBondContact O-N 2.88Å; L360-A363 PolarHBondContact O-N 3.21Å; L360-L364 HydrophobicContact CD2-CD1 4.17Å; L360-L364 VanDerWaalsContact O-CB 3.3Å; L360-L364 WeakPolarHBondContact O-CB 3.26Å; L360-L364 PolarHBondContact O-N 3.36Å; L360-L371 HydrophobicContact CB-CD1 3.78Å
361	Q	92.3	Very high	91	Very high	49 Å²	49	63.7 Å²	63.7	23%	0.229	39%	0.39	C	S	.	.	H	α-helix	trans	-60.7	-42.3	176	-170.4	-168.6	27	0	0	111.1	V357 G358 H359 A368 L371 E372	V357-Q361 WeakPolarHBondContact O-CB 3.36Å; V357-Q361 PolarHBondContact O-N 3.49Å; G358-Q361 WeakPolarHBondContact O-CB 3.4Å; G358-Q361 PolarHBondContact O-N 3.26Å; H359-Q361 VanDerWaalsContact C-N 3.26Å; H359-Q361 PolarHBondContact O-N 3.29Å; Q361-A368 HydrophobicContact CG-CB 4.06Å; Q361-L371 HydrophobicContact CB-CB 4.03Å; Q361-L371 HydrophobicContact CB-CD1 4.28Å; Q361-L371 HydrophobicContact CG-CB 4.25Å; Q361-E372 VanDerWaalsContact NE2-CB 3.32Å
362	T	91.4	Very high	90.8	Very high	104 Å²	104	65 Å²	65	64%	0.638	39%	0.391	S	S	*	.	H	α-helix	trans	-72.9	-35	177.1	64	0	0	0	0	113.1	G358 H359 L360	G358-T362 PolarHBondContact O-N 3.46Å; H359-T362 PolarHBondContact O-N 3.33Å; H359-T362 VanDerWaalsContact O-N 3.12Å; H359-T362 PolarHBondContact O-OG1 2.91Å; L360-T362 VanDerWaalsContact C-N 3.31Å; L360-T362 PolarHBondContact O-N 2.88Å
363	A	93.4	Very high	90.4	Very high	56 Å²	56	68.7 Å²	68.7	46%	0.463	40%	0.398	S	S	.	.	H	α-helix	trans	-81	-26	-177.2	0	0	0	0	0	113.2	H359 L360 P365	H359-A363 WeakPolarHBondContact O-CB 3.28Å; H359-A363 PolarHBondContact O-N 2.87Å; L360-A363 PolarHBondContact O-N 3.21Å; A363-P365 WeakPolarHBondContact O-CD 3.44Å
364	L	93	Very high	90.1	Very high	90 Å²	90	68.7 Å²	68.7	47%	0.471	40%	0.398	S	S	.	.			trans	-123.2	80.4	-174.7	-57.8	174.4	0	0	0	111.6	L360 Q366 A367 A368	L360-L364 HydrophobicContact CD2-CD1 4.17Å; L360-L364 VanDerWaalsContact O-CB 3.3Å; L360-L364 WeakPolarHBondContact O-CB 3.26Å; L360-L364 PolarHBondContact O-N 3.36Å; L364-Q366 PolarHBondContact O-N 2.73Å; L364-A367 HydrophobicContact CB-CB 4.28Å; L364-A367 PolarHBondContact O-N 2.7Å; L364-A368 PolarHBondContact O-N 3.06Å
365	P	86.8	Confident	89.9	Confident	107 Å²	107	69.5 Å²	69.5	70%	0.695	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.8	-179	-26.4	34.4	0	0	0	114.3	A363 A367 A368	A363-P365 WeakPolarHBondContact O-CD 3.44Å; P365-A367 VanDerWaalsContact C-N 3.32Å; P365-A367 PolarHBondContact O-N 3.42Å; P365-A368 WeakPolarHBondContact O-CB 3.49Å; P365-A368 PolarHBondContact O-N 3.01Å
366	Q	88.6	Confident	89.4	Confident	201 Å²	201	68.8 Å²	68.8	94%	0.939	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.9	179.1	-62.6	-179.1	3.5	0	0	113.1	L364	L364-Q366 PolarHBondContact O-N 2.73Å
367	A	87.1	Confident	88.8	Confident	37 Å²	37	65.3 Å²	65.3	31%	0.306	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	0.3	178.5	0	0	0	0	0	112.7	L364 P365 A369 A370 L371	L364-A367 HydrophobicContact CB-CB 4.28Å; L364-A367 PolarHBondContact O-N 2.7Å; P365-A367 VanDerWaalsContact C-N 3.32Å; P365-A367 PolarHBondContact O-N 3.42Å; A367-A369 VanDerWaalsContact C-N 3.34Å; A367-A369 PolarHBondContact O-N 3.39Å; A367-A370 WeakPolarHBondContact O-CB 3.49Å; A367-A370 PolarHBondContact O-N 3.34Å; A367-L371 HydrophobicContact CB-CD1 4.11Å; A367-L371 HydrophobicContact CB-CG 4.46Å; A367-L371 PolarHBondContact O-N 3.32Å
368	A	87.3	Confident	88.3	Confident	25 Å²	25	65.2 Å²	65.2	21%	0.207	37%	0.368	C	S	.	.	H	α-helix	trans	-56.7	-43.1	-170.9	0	0	0	0	0	113.1	Q361 L364 P365 A370 L371 E372	Q361-A368 HydrophobicContact CG-CB 4.06Å; L364-A368 PolarHBondContact O-N 3.06Å; P365-A368 WeakPolarHBondContact O-CB 3.49Å; P365-A368 PolarHBondContact O-N 3.01Å; A368-A370 VanDerWaalsContact C-N 3.31Å; A368-A370 PolarHBondContact O-N 2.86Å; A368-L371 PolarHBondContact O-N 2.98Å; A368-E372 VanDerWaalsContact O-CB 3.29Å; A368-E372 WeakPolarHBondContact O-CB 3.48Å; A368-E372 PolarHBondContact O-N 3.09Å
369	A	86.7	Confident	87.6	Confident	57 Å²	57	69.9 Å²	69.9	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-68.2	-26.6	178.6	0	0	0	0	0	113.7	A367 R373	A367-A369 VanDerWaalsContact C-N 3.34Å; A367-A369 PolarHBondContact O-N 3.39Å; A369-R373 WeakPolarHBondContact O-CG 3.42Å; A369-R373 PolarHBondContact O-NH1 3.19Å
370	A	86.4	Confident	86.5	Confident	36 Å²	36	71 Å²	71	30%	0.298	40%	0.398	S	S	.	.	H	α-helix	trans	-77.3	-44.9	174.5	0	0	0	0	0	110.7	V326 A367 A368 E372 R373 V374	V326-A370 HydrophobicContact CG2-CB 3.68Å; A367-A370 WeakPolarHBondContact O-CB 3.49Å; A367-A370 PolarHBondContact O-N 3.34Å; A368-A370 VanDerWaalsContact C-N 3.31Å; A368-A370 PolarHBondContact O-N 2.86Å; A370-E372 VanDerWaalsContact C-N 3.33Å; A370-E372 PolarHBondContact O-N 2.89Å; A370-R373 PolarHBondContact O-N 3.35Å; A370-V374 PolarHBondContact O-N 3.29Å
371	L	88.9	Confident	85	Confident	29 Å²	29	69.2 Å²	69.2	15%	0.152	39%	0.391	C	S	.	.	H	α-helix	trans	-67.4	-33.2	177.8	-64.3	168.5	0	0	0	112.1	V357 L360 Q361 A367 A368 R373 V374 L375	V357-L371 HydrophobicContact CG1-CB 4.01Å; V357-L371 HydrophobicContact CG1-CD2 3.9Å; L360-L371 HydrophobicContact CB-CD1 3.78Å; Q361-L371 HydrophobicContact CB-CB 4.03Å; Q361-L371 HydrophobicContact CB-CD1 4.28Å; Q361-L371 HydrophobicContact CG-CB 4.25Å; A367-L371 HydrophobicContact CB-CD1 4.11Å; A367-L371 HydrophobicContact CB-CG 4.46Å; A367-L371 PolarHBondContact O-N 3.32Å; A368-L371 PolarHBondContact O-N 2.98Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 2.92Å; L371-V374 WeakPolarHBondContact O-CB 3.34Å; L371-V374 PolarHBondContact O-N 3.43Å; L371-V374 VanDerWaalsContact O-N 3.15Å; L371-L375 WeakPolarHBondContact O-CG 3.24Å; L371-L375 PolarHBondContact O-N 3.05Å
372	E	88.2	Confident	83.3	Confident	101 Å²	101	75.7 Å²	75.7	47%	0.472	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-42.3	171.9	-167.1	170.9	-169.8	0	0	111.6	Q361 A368 A370 V374 L375 L376	Q361-E372 VanDerWaalsContact NE2-CB 3.32Å; A368-E372 VanDerWaalsContact O-CB 3.29Å; A368-E372 WeakPolarHBondContact O-CB 3.48Å; A368-E372 PolarHBondContact O-N 3.09Å; A370-E372 VanDerWaalsContact C-N 3.33Å; A370-E372 PolarHBondContact O-N 2.89Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 PolarHBondContact O-N 3.37Å; E372-L375 PolarHBondContact O-N 3.23Å; E372-L376 HydrophobicContact CG-CD1 4.24Å; E372-L376 WeakPolarHBondContact O-CB 3.49Å; E372-L376 VanDerWaalsContact O-CG 3.29Å; E372-L376 WeakPolarHBondContact O-CG 3.27Å; E372-L376 PolarHBondContact O-N 2.99Å
373	R	84.8	Confident	81.6	Confident	111 Å²	111	75.2 Å²	75.2	42%	0.419	41%	0.412	S	S	.	.	H	α-helix	trans	-64.6	-34.8	175.2	-68.6	-171.3	-166.1	97.9	-5.3	112.7	A369 A370 L371 S377	A369-R373 WeakPolarHBondContact O-CG 3.42Å; A369-R373 PolarHBondContact O-NH1 3.19Å; A370-R373 PolarHBondContact O-N 3.35Å; L371-R373 VanDerWaalsContact C-N 3.32Å; L371-R373 PolarHBondContact O-N 2.92Å; R373-S377 VanDerWaalsContact O-CB 3.23Å; R373-S377 WeakPolarHBondContact O-CB 3.4Å; R373-S377 PolarHBondContact O-N 2.99Å
374	V	85.9	Confident	79.9	Confident	8 Å²	8	72.9 Å²	72.9	5%	0.048	39%	0.392	C	S	.	.	H	α-helix	trans	-65.2	-45.3	173.2	-179.3	0	0	0	0	110.4	V326 I330 S331 L334 V357 A370 L371 E372 S377 L378	V326-V374 HydrophobicContact CG1-CG2 3.79Å; I330-V374 HydrophobicContact CG2-CG1 4.29Å; I330-V374 HydrophobicContact CG2-CG2 3.79Å; S331-V374 PolarHBondContact OG-O 3.04Å; L334-V374 HydrophobicContact CD1-CG1 4.41Å; V357-V374 HydrophobicContact CG1-CB 4.09Å; V357-V374 HydrophobicContact CG1-CG1 4.1Å; V357-V374 HydrophobicContact CG2-CG1 4.22Å; A370-V374 PolarHBondContact O-N 3.29Å; L371-V374 WeakPolarHBondContact O-CB 3.34Å; L371-V374 PolarHBondContact O-N 3.43Å; L371-V374 VanDerWaalsContact O-N 3.15Å; E372-V374 VanDerWaalsContact C-N 3.31Å; E372-V374 PolarHBondContact O-N 3.37Å; V374-S377 WeakPolarHBondContact O-CB 3.42Å; V374-S377 PolarHBondContact O-N 3.15Å; V374-L378 HydrophobicContact CG1-CD1 4.35Å; V374-L378 WeakPolarHBondContact O-CG 3.4Å; V374-L378 PolarHBondContact O-N 3.24Å
375	L	86.2	Confident	78	Confident	39 Å²	39	69.3 Å²	69.3	20%	0.204	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-42.6	176.9	-66.9	174	0	0	0	112.4	V357 L371 E372 S377 L378 V379	V357-L375 HydrophobicContact CB-CD2 3.91Å; V357-L375 HydrophobicContact CB-CG 4.45Å; V357-L375 HydrophobicContact CG1-CD1 4.38Å; V357-L375 HydrophobicContact CG1-CD2 3.7Å; V357-L375 HydrophobicContact CG1-CG 3.69Å; L371-L375 WeakPolarHBondContact O-CG 3.24Å; L371-L375 PolarHBondContact O-N 3.05Å; E372-L375 PolarHBondContact O-N 3.23Å; L375-S377 VanDerWaalsContact C-N 3.35Å; L375-L378 HydrophobicContact CD2-CD1 4.25Å; L375-L378 WeakPolarHBondContact O-CB 3.32Å; L375-L378 PolarHBondContact O-N 2.92Å; L375-V379 WeakPolarHBondContact O-CG2 3.41Å; L375-V379 PolarHBondContact O-N 3.18Å
376	L	84.5	Confident	76.3	Confident	83 Å²	83	67.8 Å²	67.8	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-61.4	-45.4	174.5	-72.1	171.1	0	0	0	110.6	E372 L378 V379 E380	E372-L376 HydrophobicContact CG-CD1 4.24Å; E372-L376 WeakPolarHBondContact O-CB 3.49Å; E372-L376 VanDerWaalsContact O-CG 3.29Å; E372-L376 WeakPolarHBondContact O-CG 3.27Å; E372-L376 PolarHBondContact O-N 2.99Å; L376-L378 VanDerWaalsContact C-N 3.35Å; L376-L378 PolarHBondContact O-N 3.38Å; L376-V379 PolarHBondContact O-N 2.94Å; L376-V379 VanDerWaalsContact O-N 3.09Å; L376-E380 WeakPolarHBondContact O-CB 3.42Å; L376-E380 WeakPolarHBondContact O-CG 3.44Å; L376-E380 PolarHBondContact O-N 3.38Å
377	S	83.1	Confident	74.7	Confident	13 Å²	13	59.5 Å²	59.5	9%	0.091	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-43.4	174.6	166.6	0	0	0	0	112	M328 S331 R373 V374 L375 V379 E380 S381	M328-S377 PolarHBondContact O-OG 3.41Å; S331-S377 WeakPolarHBondContact CB-OG 3.09Å; S331-S377 VanDerWaalsContact OG-CB 3.24Å; S331-S377 WeakPolarHBondContact OG-CB 3.49Å; S331-S377 PolarHBondContact OG-OG 3.28Å; R373-S377 VanDerWaalsContact O-CB 3.23Å; R373-S377 WeakPolarHBondContact O-CB 3.4Å; R373-S377 PolarHBondContact O-N 2.99Å; V374-S377 WeakPolarHBondContact O-CB 3.42Å; V374-S377 PolarHBondContact O-N 3.15Å; L375-S377 VanDerWaalsContact C-N 3.35Å; S377-V379 PolarHBondContact O-N 3.42Å; S377-E380 PolarHBondContact O-N 3Å; S377-S381 WeakPolarHBondContact O-CB 3.28Å; S377-S381 PolarHBondContact O-N 3.43Å; S377-S381 VanDerWaalsContact O-N 3.11Å; S377-S381 PolarHBondContact O-OG 3.18Å
378	L	81.5	Confident	73.5	Confident	8 Å²	8	59 Å²	59	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-27.5	176.3	-73.9	166	0	0	0	114	I335 R350 V353 V374 L375 L376	I335-L378 HydrophobicContact CD1-CD2 3.54Å; I335-L378 HydrophobicContact CG1-CD2 4.04Å; R350-L378 HydrophobicContact CG-CD2 4.33Å; V353-L378 HydrophobicContact CB-CD1 4.46Å; V353-L378 HydrophobicContact CG1-CD1 3.84Å; V353-L378 HydrophobicContact CG1-CD2 4.29Å; V374-L378 HydrophobicContact CG1-CD1 4.35Å; V374-L378 WeakPolarHBondContact O-CG 3.4Å; V374-L378 PolarHBondContact O-N 3.24Å; L375-L378 HydrophobicContact CD2-CD1 4.25Å; L375-L378 WeakPolarHBondContact O-CB 3.32Å; L375-L378 PolarHBondContact O-N 2.92Å; L376-L378 VanDerWaalsContact C-N 3.35Å; L376-L378 PolarHBondContact O-N 3.38Å
379	V	77.2	Confident	72.2	Confident	119 Å²	119	60 Å²	60	72%	0.721	33%	0.333	S	S	*	.	H	α-helix	trans	-91.9	-39.3	-178.6	175.6	0	0	0	0	111.7	L375 L376 S377	L375-V379 WeakPolarHBondContact O-CG2 3.41Å; L375-V379 PolarHBondContact O-N 3.18Å; L376-V379 PolarHBondContact O-N 2.94Å; L376-V379 VanDerWaalsContact O-N 3.09Å; S377-V379 PolarHBondContact O-N 3.42Å
380	E	70.1	Confident	70.3	Confident	148 Å²	148	67.4 Å²	67.4	69%	0.692	36%	0.358	S	S	*	.	H	α-helix	trans	-79.8	-30.4	-174.9	-72.2	179.5	172.2	0	0	113.3	L376 S377 K382	L376-E380 WeakPolarHBondContact O-CB 3.42Å; L376-E380 WeakPolarHBondContact O-CG 3.44Å; L376-E380 PolarHBondContact O-N 3.38Å; S377-E380 PolarHBondContact O-N 3Å; E380-K382 PolarHBondContact O-N 3.21Å; E380-K382 VanDerWaalsContact O-N 3.11Å
381	S	61.1	Low	68.8	Low	32 Å²	32	69.5 Å²	69.5	22%	0.224	38%	0.383	C	S	.	.			trans	-79.5	99.6	-175.4	59.2	0	0	0	0	111.7	S377 D383 L384	S377-S381 WeakPolarHBondContact O-CB 3.28Å; S377-S381 PolarHBondContact O-N 3.43Å; S377-S381 VanDerWaalsContact O-N 3.11Å; S377-S381 PolarHBondContact O-OG 3.18Å; S381-D383 VanDerWaalsContact C-N 3.27Å; S381-L384 WeakPolarHBondContact OG-CD1 3.45Å; S381-L384 WeakPolarHBondContact OG-CD2 3.45Å; S381-L384 WeakPolarHBondContact OG-CG 3.39Å
382	K	56.4	Low	67.6	Low	186 Å²	186	73.9 Å²	73.9	81%	0.809	40%	0.403	S	S	*	.	S	Bend	trans	-70	-25.3	166.9	-69.1	-178.1	178	179.3	0	112.7	E380	E380-K382 PolarHBondContact O-N 3.21Å; E380-K382 VanDerWaalsContact O-N 3.11Å
383	D	57.1	Low	66.6	Low	93 Å²	93	72.3 Å²	72.3	50%	0.497	40%	0.4	S	S	.	.			trans	-119.2	64.8	-176	-63.6	-41.8	0	0	0	112	S381 S385 A386	S381-D383 VanDerWaalsContact C-N 3.27Å; D383-S385 VanDerWaalsContact C-N 3.33Å; D383-S385 PolarHBondContact O-N 3.32Å; D383-A386 HydrophobicContact CB-CB 4.41Å; D383-A386 PolarHBondContact O-N 3.43Å
384	L	57.1	Low	66.4	Low	7 Å²	7	67.3 Å²	67.3	4%	0.037	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-65.3	-32.6	-178.6	-80.8	155.1	0	0	0	113.2	A332 I335 F346 S381 A386 A387	A332-L384 HydrophobicContact CB-CB 4.27Å; A332-L384 HydrophobicContact CB-CD2 3.79Å; A332-L384 VanDerWaalsContact CB-O 3.23Å; A332-L384 WeakPolarHBondContact CB-O 3.39Å; I335-L384 HydrophobicContact CD1-CD1 3.69Å; I335-L384 HydrophobicContact CD1-CD2 4.37Å; F346-L384 HydrophobicContact CE2-CB 4.44Å; F346-L384 HydrophobicContact CE2-CD1 4.38Å; F346-L384 HydrophobicContact CZ-CB 4.21Å; F346-L384 HydrophobicContact CZ-CD1 3.72Å; S381-L384 WeakPolarHBondContact OG-CD1 3.45Å; S381-L384 WeakPolarHBondContact OG-CD2 3.45Å; S381-L384 WeakPolarHBondContact OG-CG 3.39Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.13Å; L384-A387 WeakPolarHBondContact O-CB 3.39Å; L384-A387 PolarHBondContact O-N 3.31Å; L384-A387 VanDerWaalsContact O-N 3.09Å
385	S	52.9	Low	66.4	Low	15 Å²	15	70.2 Å²	70.2	11%	0.105	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-71	-20.7	179.1	53	0	0	0	0	114.8	D383 A387 D443 V446 R449	D383-S385 VanDerWaalsContact C-N 3.33Å; D383-S385 PolarHBondContact O-N 3.32Å; S385-A387 VanDerWaalsContact C-N 3.27Å; S385-D443 WeakPolarHBondContact CB-OD2 3.43Å; S385-D443 PolarHBondContact N-OD2 3.44Å; S385-D443 PolarHBondContact OG-OD2 3.2Å; S385-V446 WeakPolarHBondContact OG-CG2 3.43Å; S385-R449 PolarHBondContact OG-NH2 3.22Å
386	A	51.8	Low	66.6	Low	75 Å²	75	68.9 Å²	68.9	62%	0.62	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-82.5	-8.2	171.8	0	0	0	0	0	112.6	D383 L384	D383-A386 HydrophobicContact CB-CB 4.41Å; D383-A386 PolarHBondContact O-N 3.43Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.13Å
387	A	54.1	Low	66.8	Low	28 Å²	28	67 Å²	67	23%	0.231	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-94.5	3	-176.7	0	0	0	0	0	113.5	T329 A332 L384 S385	T329-A387 WeakPolarHBondContact CB-O 3.1Å; T329-A387 WeakPolarHBondContact CG2-O 3.37Å; A332-A387 HydrophobicContact CB-CB 4.13Å; L384-A387 WeakPolarHBondContact O-CB 3.39Å; L384-A387 PolarHBondContact O-N 3.31Å; L384-A387 VanDerWaalsContact O-N 3.09Å; S385-A387 VanDerWaalsContact C-N 3.27Å
388	L	62.1	Low	67.2	Low	25 Å²	25	70.9 Å²	70.9	13%	0.131	39%	0.394	C	S	.	.	S	Bend	trans	-69.2	140.6	172.7	-72.5	171.4	0	0	0	110.3	A332 E333 Q392 C394	A332-L388 HydrophobicContact CB-CD2 4.47Å; E333-L388 HydrophobicContact CG-CD2 4.04Å; L388-Q392 HydrophobicContact CB-CB 4.42Å; L388-C394 HydrophobicContact CD1-CB 4.13Å
389	P	59.8	Low	67.7	Low	47 Å²	47	73.5 Å²	73.5	31%	0.305	40%	0.403	S	S	.	.			trans	-52.8	143.1	177.9	-26.2	33.8	0	0	0	112.5	E333 G391 Q392	E333-P389 WeakPolarHBondContact OE1-CD 3.36Å; E333-P389 WeakPolarHBondContact OE1-CG 3.37Å; P389-G391 PolarHBondContact O-N 3.09Å; P389-Q392 PolarHBondContact O-N 2.81Å
390	Q	47.2	Very low	68.5	Low	213 Å²	213	67.9 Å²	67.9	100%	0.995	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	109.1	-174.7	-156	165.5	12.4	0	0	111.3
391	G	55.8	Low	69.6	Low	79 Å²	79	66.4 Å²	66.4	81%	0.814	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.2	-9.4	-179.5	0	0	0	0	0	116.1	P389	P389-G391 PolarHBondContact O-N 3.09Å
392	Q	62.7	Low	71.2	Confident	121 Å²	121	67.7 Å²	67.7	57%	0.565	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-91.4	122.7	167.2	-73.3	-174.4	8.8	0	0	110.2	L388 P389	L388-Q392 HydrophobicContact CB-CB 4.42Å; P389-Q392 PolarHBondContact O-N 2.81Å
393	V	66.9	Low	73	Confident	68 Å²	68	58.8 Å²	58.8	41%	0.412	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-96.6	136.8	173.7	-173.1	0	0	0	0	108	E397 Q398	V393-E397 HydrophobicContact CG1-CB 3.94Å; V393-E397 HydrophobicContact CG1-CG 3.95Å; V393-Q398 HydrophobicContact CB-CG 4Å; V393-Q398 HydrophobicContact CG1-CG 3.7Å
394	C	81.8	Confident	74.8	Confident	7 Å²	7	54.6 Å²	54.6	5%	0.047	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-55.3	138.7	173.8	176	0	0	0	0	110	E336 L388 D396 E397 Q398	E336-C394 PolarHBondContact OE2-SG 3.2Å; L388-C394 HydrophobicContact CD1-CB 4.13Å; C394-D396 VanDerWaalsContact C-N 3.26Å; C394-D396 PolarHBondContact O-N 3.4Å; C394-E397 HydrophobicContact CB-CB 4.03Å; C394-E397 WeakPolarHBondContact O-CB 3.48Å; C394-E397 PolarHBondContact O-N 3.34Å; C394-Q398 PolarHBondContact O-N 3.09Å
395	H	85.8	Confident	76.4	Confident	68 Å²	68	56.6 Å²	56.6	32%	0.315	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-43.4	179.2	172.1	-91	0	0	0	111.8	E336 E397 Q398 R399	E336-H395 WeakPolarHBondContact OE1-CB 3.29Å; E336-H395 PolarHBondContact OE1-N 3.35Å; H395-E397 VanDerWaalsContact C-N 3.32Å; H395-E397 PolarHBondContact O-N 3.21Å; H395-Q398 PolarHBondContact O-N 2.7Å; H395-R399 WeakPolarHBondContact O-CG 3.47Å; H395-R399 PolarHBondContact O-N 3.22Å
396	D	89.5	Confident	78.2	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.059	32%	0.324	C	S	.	.	H	α-helix	trans	-67.9	-33.8	-178.3	-67.9	-14.6	0	0	0	112	R339 C394 R399 L400 I438 A442	R339-D396 IonicContact CZ-OD2 3.89Å; R339-D396 IonicContact NE-OD1 3.42Å; R339-D396 IonicContact NE-OD2 2.72Å; R339-D396 PolarHBondContact NE-OD2 3.29Å; R339-D396 IonicContact NH2-OD1 3.76Å; R339-D396 IonicContact NH2-OD2 2.66Å; R339-D396 PolarHBondContact NH2-OD2 3.03Å; C394-D396 VanDerWaalsContact C-N 3.26Å; C394-D396 PolarHBondContact O-N 3.4Å; D396-R399 PolarHBondContact O-N 3.16Å; D396-L400 WeakPolarHBondContact O-CB 3.41Å; D396-L400 VanDerWaalsContact O-CG 3.24Å; D396-L400 WeakPolarHBondContact O-CG 3.49Å; D396-L400 PolarHBondContact O-N 2.72Å; D396-I438 HydrophobicContact CB-CG2 3.99Å; D396-A442 HydrophobicContact CB-CB 4.18Å; D396-A442 WeakPolarHBondContact OD2-CB 3.48Å
397	E	89.8	Confident	80	Confident	45 Å²	45	53.8 Å²	53.8	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-47	173.8	-172.9	171.8	171.9	0	0	111	V393 C394 H395 R399 L400 E401 V446 R449 M450	V393-E397 HydrophobicContact CG1-CB 3.94Å; V393-E397 HydrophobicContact CG1-CG 3.95Å; C394-E397 HydrophobicContact CB-CB 4.03Å; C394-E397 WeakPolarHBondContact O-CB 3.48Å; C394-E397 PolarHBondContact O-N 3.34Å; H395-E397 VanDerWaalsContact C-N 3.32Å; H395-E397 PolarHBondContact O-N 3.21Å; E397-R399 VanDerWaalsContact C-N 3.35Å; E397-R399 PolarHBondContact O-N 3.3Å; E397-L400 PolarHBondContact O-N 3.15Å; E397-E401 PolarHBondContact O-N 2.87Å; E397-V446 HydrophobicContact CB-CG1 3.78Å; E397-V446 HydrophobicContact CG-CG1 4.4Å; E397-R449 IonicContact OE1-NH1 2.76Å; E397-R449 IonicContact OE2-NH1 2.96Å; E397-R449 PolarHBondContact OE2-NH1 3.37Å; E397-M450 HydrophobicContact CG-CG 4.17Å; E397-M450 HydrophobicContact CG-SD 3.7Å
398	Q	89.8	Confident	81.6	Confident	93 Å²	93	53.6 Å²	53.6	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-41.6	175.7	-65	179.4	-10.9	0	0	112	V393 C394 H395 E401 V402	V393-Q398 HydrophobicContact CB-CG 4Å; V393-Q398 HydrophobicContact CG1-CG 3.7Å; C394-Q398 PolarHBondContact O-N 3.09Å; H395-Q398 PolarHBondContact O-N 2.7Å; Q398-E401 PolarHBondContact O-N 3.08Å; Q398-V402 WeakPolarHBondContact O-CG2 3.14Å; Q398-V402 PolarHBondContact O-N 3.38Å; Q398-V402 VanDerWaalsContact O-N 3.15Å
399	R	92.9	Very high	82.7	Confident	64 Å²	64	59.6 Å²	59.6	24%	0.242	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-43.9	177.4	-69.6	-55.5	-59.3	144.4	-1.3	111.5	H395 D396 E397 E401 V402 I403 E434 I438	H395-R399 WeakPolarHBondContact O-CG 3.47Å; H395-R399 PolarHBondContact O-N 3.22Å; D396-R399 PolarHBondContact O-N 3.16Å; E397-R399 VanDerWaalsContact C-N 3.35Å; E397-R399 PolarHBondContact O-N 3.3Å; R399-E401 VanDerWaalsContact C-N 3.33Å; R399-E401 PolarHBondContact O-N 2.7Å; R399-V402 PolarHBondContact O-N 3.19Å; R399-I403 HydrophobicContact CB-CD1 4.5Å; R399-I403 WeakPolarHBondContact O-CB 3.33Å; R399-I403 WeakPolarHBondContact O-CD1 3.22Å; R399-I403 WeakPolarHBondContact O-CG1 3.25Å; R399-I403 PolarHBondContact O-N 3.39Å; R399-E434 IonicContact CZ-OE1 2.76Å; R399-E434 VanDerWaalsContact CZ-OE1 3.26Å; R399-E434 IonicContact CZ-OE2 2.57Å; R399-E434 IonicContact NE-OE1 3.73Å; R399-E434 PolarHBondContact NE-OE1 3.21Å; R399-E434 IonicContact NE-OE2 2.9Å; R399-E434 IonicContact NH2-OE1 3.96Å; R399-E434 PolarHBondContact NH2-OE1 3.39Å; R399-E434 IonicContact NH2-OE2 2.77Å; R399-E434 PolarHBondContact NH2-OE2 3.12Å; R399-I438 HydrophobicContact CB-CD1 3.7Å
400	L	94.3	Very high	83.5	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-42.7	175.6	-73.4	171.7	0	0	0	111.7	D396 E397 V402 I403 F404 L435 I438 V446 M450	D396-L400 WeakPolarHBondContact O-CB 3.41Å; D396-L400 VanDerWaalsContact O-CG 3.24Å; D396-L400 WeakPolarHBondContact O-CG 3.49Å; D396-L400 PolarHBondContact O-N 2.72Å; E397-L400 PolarHBondContact O-N 3.15Å; L400-V402 VanDerWaalsContact C-N 3.35Å; L400-V402 PolarHBondContact O-N 3.04Å; L400-I403 PolarHBondContact O-N 3.26Å; L400-F404 HydrophobicContact CB-CD2 4.21Å; L400-F404 HydrophobicContact CB-CE2 4.1Å; L400-F404 HydrophobicContact CD2-CE2 4.05Å; L400-F404 HydrophobicContact CD2-CZ 4.44Å; L400-F404 WeakPolarHBondContact O-CB 3.38Å; L400-F404 WeakPolarHBondContact O-CD2 3.24Å; L400-F404 WeakPolarHBondContact O-CG 3.37Å; L400-F404 PolarHBondContact O-N 3.4Å; L400-L435 HydrophobicContact CD2-CD1 3.46Å; L400-L435 VanDerWaalsContact CD2-CD1 3.46Å; L400-I438 HydrophobicContact CD1-CG2 3.85Å; L400-I438 HydrophobicContact CD2-CB 4.19Å; L400-I438 HydrophobicContact CD2-CD1 4.42Å; L400-I438 HydrophobicContact CD2-CG2 3.76Å; L400-I438 HydrophobicContact CG-CG2 3.74Å; L400-V446 HydrophobicContact CD1-CG1 4.36Å; L400-M450 HydrophobicContact CB-CB 4.29Å; L400-M450 HydrophobicContact CB-CE 4.16Å; L400-M450 HydrophobicContact CB-CG 4.05Å; L400-M450 HydrophobicContact CD1-CB 3.88Å; L400-M450 HydrophobicContact CD1-CG 3.79Å
401	E	93.3	Very high	85.1	Confident	117 Å²	117	51.7 Å²	51.7	55%	0.547	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-45.9	177.1	-173.3	179.7	-171.1	0	0	111.7	E397 Q398 R399 S405 M450	E397-E401 PolarHBondContact O-N 2.87Å; Q398-E401 PolarHBondContact O-N 3.08Å; R399-E401 VanDerWaalsContact C-N 3.33Å; R399-E401 PolarHBondContact O-N 2.7Å; E401-S405 VanDerWaalsContact O-CB 3.23Å; E401-S405 WeakPolarHBondContact O-CB 3.48Å; E401-S405 PolarHBondContact O-N 2.98Å; E401-S405 PolarHBondContact O-OG 3.11Å; E401-M450 HydrophobicContact CB-CE 3.99Å
402	V	94.1	Very high	86.1	Confident	59 Å²	59	51.3 Å²	51.3	36%	0.358	25%	0.25	S	C	.	.	H	α-helix	trans	-63.6	-48.9	176.7	173.3	0	0	0	0	111.1	Q398 R399 L400 S405 D406	Q398-V402 WeakPolarHBondContact O-CG2 3.14Å; Q398-V402 PolarHBondContact O-N 3.38Å; Q398-V402 VanDerWaalsContact O-N 3.15Å; R399-V402 PolarHBondContact O-N 3.19Å; L400-V402 VanDerWaalsContact C-N 3.35Å; L400-V402 PolarHBondContact O-N 3.04Å; V402-S405 PolarHBondContact O-N 3.3Å; V402-D406 WeakPolarHBondContact O-CB 3.47Å; V402-D406 PolarHBondContact O-N 3.22Å
403	I	94.6	Very high	86.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-48.6	-176.8	-66.1	162.1	0	0	0	111	R399 L400 S405 D406 L407 Y431 E434 L435 I438	R399-I403 HydrophobicContact CB-CD1 4.5Å; R399-I403 WeakPolarHBondContact O-CB 3.33Å; R399-I403 WeakPolarHBondContact O-CD1 3.22Å; R399-I403 WeakPolarHBondContact O-CG1 3.25Å; R399-I403 PolarHBondContact O-N 3.39Å; L400-I403 PolarHBondContact O-N 3.26Å; I403-S405 VanDerWaalsContact C-N 3.33Å; I403-S405 PolarHBondContact O-N 3.26Å; I403-D406 PolarHBondContact O-N 3.5Å; I403-L407 HydrophobicContact CG2-CD1 3.62Å; I403-L407 HydrophobicContact CG2-CG 4.21Å; I403-L407 WeakPolarHBondContact O-CB 3.33Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.39Å; I403-L407 PolarHBondContact O-N 2.89Å; I403-Y431 HydrophobicContact CG1-CD1 4.05Å; I403-E434 HydrophobicContact CD1-CB 4.13Å; I403-E434 HydrophobicContact CD1-CG 3.81Å; I403-L435 HydrophobicContact CG2-CB 4.04Å; I403-L435 HydrophobicContact CG2-CD1 4.49Å; I403-L435 HydrophobicContact CG2-CD2 4.44Å; I403-I438 HydrophobicContact CD1-CD1 3.83Å
404	F	94.4	Very high	86.2	Confident	5 Å²	5	48.5 Å²	48.5	2%	0.022	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-41.5	178.5	-73.9	-52.5	0	0	0	111.8	L400 A408 L435 M450 N458 L462 M485	L400-F404 HydrophobicContact CB-CD2 4.21Å; L400-F404 HydrophobicContact CB-CE2 4.1Å; L400-F404 HydrophobicContact CD2-CE2 4.05Å; L400-F404 HydrophobicContact CD2-CZ 4.44Å; L400-F404 WeakPolarHBondContact O-CB 3.38Å; L400-F404 WeakPolarHBondContact O-CD2 3.24Å; L400-F404 WeakPolarHBondContact O-CG 3.37Å; L400-F404 PolarHBondContact O-N 3.4Å; F404-A408 VanDerWaalsContact O-CB 3.26Å; F404-A408 WeakPolarHBondContact O-CB 3.35Å; F404-A408 PolarHBondContact O-N 2.93Å; F404-L435 HydrophobicContact CE1-CD1 4.01Å; F404-L435 HydrophobicContact CE1-CD2 4.14Å; F404-L435 HydrophobicContact CZ-CD1 3.88Å; F404-M450 HydrophobicContact CD2-CE 4.47Å; F404-M450 HydrophobicContact CE2-CB 4.18Å; F404-N458 HydrophobicContact CB-CB 4.24Å; F404-N458 HydrophobicContact CD1-CB 3.79Å; F404-N458 HydrophobicContact CD2-CB 4.07Å; F404-N458 HydrophobicContact CE1-CB 4.08Å; F404-N458 HydrophobicContact CE2-CB 4.35Å; F404-N458 HydrophobicContact CG-CB 3.79Å; F404-N458 HydrophobicContact CZ-CB 4.36Å; F404-L462 HydrophobicContact CD1-CD1 4.21Å; F404-L462 HydrophobicContact CE1-CD1 3.74Å; F404-M485 HydrophobicContact CE1-CE 4Å; F404-M485 HydrophobicContact CZ-CE 4.1Å
405	S	91.5	Very high	85.1	Confident	49 Å²	49	53.3 Å²	53.3	34%	0.343	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-44.7	177.7	-62.6	0	0	0	0	112.2	E401 V402 I403 R409	E401-S405 VanDerWaalsContact O-CB 3.23Å; E401-S405 WeakPolarHBondContact O-CB 3.48Å; E401-S405 PolarHBondContact O-N 2.98Å; E401-S405 PolarHBondContact O-OG 3.11Å; V402-S405 PolarHBondContact O-N 3.3Å; I403-S405 VanDerWaalsContact C-N 3.33Å; I403-S405 PolarHBondContact O-N 3.26Å; S405-R409 WeakPolarHBondContact O-CG 3.46Å; S405-R409 PolarHBondContact O-N 3.18Å; S405-R409 VanDerWaalsContact O-N 3.07Å
406	D	89.9	Confident	83.5	Confident	28 Å²	28	57 Å²	57	15%	0.15	28%	0.278	C	S	.	.	H	α-helix	trans	-71.8	-40.7	-179.2	-75.4	-16	0	0	0	111.8	V402 I403 A408 R409 H410 Y431	V402-D406 WeakPolarHBondContact O-CB 3.47Å; V402-D406 PolarHBondContact O-N 3.22Å; I403-D406 PolarHBondContact O-N 3.5Å; D406-A408 VanDerWaalsContact C-N 3.32Å; D406-A408 PolarHBondContact O-N 2.8Å; D406-R409 WeakPolarHBondContact O-CB 3.48Å; D406-R409 PolarHBondContact O-N 3.48Å; D406-R409 IonicContact OD1-CZ 3.19Å; D406-R409 IonicContact OD1-NH1 3.9Å; D406-R409 PolarHBondContact OD1-NH1 2.94Å; D406-H410 PolarHBondContact O-CD2 2.97Å; D406-H410 PolarHBondContact O-N 3.38Å; D406-Y431 HydrophobicContact CB-CE2 4.13Å; D406-Y431 PolarHBondContact OD2-OH 2.64Å
407	L	89.3	Confident	81.5	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-38	174.3	-70.6	174.4	0	0	0	112	I403 H410 R411 I428 L432 L435 L462	I403-L407 HydrophobicContact CG2-CD1 3.62Å; I403-L407 HydrophobicContact CG2-CG 4.21Å; I403-L407 WeakPolarHBondContact O-CB 3.33Å; I403-L407 VanDerWaalsContact O-CG 3.29Å; I403-L407 WeakPolarHBondContact O-CG 3.39Å; I403-L407 PolarHBondContact O-N 2.89Å; L407-H410 PolarHBondContact O-N 3.4Å; L407-R411 PolarHBondContact O-N 2.56Å; L407-I428 HydrophobicContact CD2-CG2 4.08Å; L407-L432 HydrophobicContact CD1-CD2 3.77Å; L407-L432 HydrophobicContact CD2-CD2 4.23Å; L407-L432 HydrophobicContact CD2-CG 4.46Å; L407-L435 HydrophobicContact CD1-CD2 4.14Å; L407-L462 HydrophobicContact CB-CD2 4.22Å; L407-L462 HydrophobicContact CD1-CD2 3.78Å
408	A	87.9	Confident	79.5	Confident	24 Å²	24	68.1 Å²	68.1	20%	0.198	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-40.5	173.5	0	0	0	0	0	112.1	F404 D406 R411 D412	F404-A408 VanDerWaalsContact O-CB 3.26Å; F404-A408 WeakPolarHBondContact O-CB 3.35Å; F404-A408 PolarHBondContact O-N 2.93Å; D406-A408 VanDerWaalsContact C-N 3.32Å; D406-A408 PolarHBondContact O-N 2.8Å; A408-R411 WeakPolarHBondContact O-CB 3.37Å; A408-R411 PolarHBondContact O-N 2.74Å; A408-D412 PolarHBondContact O-N 3.22Å; A408-D412 VanDerWaalsContact O-N 3.11Å
409	R	84.8	Confident	77.3	Confident	151 Å²	151	72.3 Å²	72.3	57%	0.57	34%	0.341	S	S	*	.	H	α-helix	trans	-62.5	-43.7	173.2	-70.7	169.2	-172.6	159.7	-0.3	112	S405 D406 R411 D412 D413	S405-R409 WeakPolarHBondContact O-CG 3.46Å; S405-R409 PolarHBondContact O-N 3.18Å; S405-R409 VanDerWaalsContact O-N 3.07Å; D406-R409 WeakPolarHBondContact O-CB 3.48Å; D406-R409 PolarHBondContact O-N 3.48Å; D406-R409 IonicContact OD1-CZ 3.19Å; D406-R409 IonicContact OD1-NH1 3.9Å; D406-R409 PolarHBondContact OD1-NH1 2.94Å; R409-R411 VanDerWaalsContact C-N 3.27Å; R409-R411 PolarHBondContact O-N 2.8Å; R409-D412 PolarHBondContact O-N 3.34Å; R409-D412 VanDerWaalsContact O-N 3.14Å; R409-D413 WeakPolarHBondContact O-CB 3.34Å; R409-D413 PolarHBondContact O-N 2.91Å
410	H	78.2	Confident	75	Confident	31 Å²	31	72.5 Å²	72.5	14%	0.144	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-35.7	176.7	-82	-71.2	0	0	0	112.4	D406 L407 S414 D424	D406-H410 PolarHBondContact O-CD2 2.97Å; D406-H410 PolarHBondContact O-N 3.38Å; L407-H410 PolarHBondContact O-N 3.4Å; H410-S414 WeakPolarHBondContact O-CB 3.25Å; H410-S414 PolarHBondContact O-N 2.88Å; H410-D424 IonicContact ND1-OD2 2.81Å
411	R	79.8	Confident	73	Confident	63 Å²	63	73.9 Å²	73.9	24%	0.238	36%	0.364	C	S	.	.	H	α-helix	trans	-62.5	-48.9	171.7	177.3	-139	170.9	-154.2	12	111.3	L407 A408 R409 D413 S414 Q415 S464 Y465 M468	L407-R411 PolarHBondContact O-N 2.56Å; A408-R411 WeakPolarHBondContact O-CB 3.37Å; A408-R411 PolarHBondContact O-N 2.74Å; R409-R411 VanDerWaalsContact C-N 3.27Å; R409-R411 PolarHBondContact O-N 2.8Å; R411-D413 VanDerWaalsContact C-N 3.3Å; R411-D413 PolarHBondContact O-N 3.37Å; R411-S414 WeakPolarHBondContact O-CB 3.33Å; R411-S414 PolarHBondContact O-N 3.43Å; R411-S414 PolarHBondContact O-OG 2.81Å; R411-Q415 PolarHBondContact O-N 3.23Å; R411-S464 PolarHBondContact NH2-OG 2.91Å; R411-Y465 HydrophobicContact CB-CD2 4.01Å; R411-Y465 HydrophobicContact CB-CG 4.43Å; R411-M468 HydrophobicContact CG-SD 4.23Å
412	D	76.3	Confident	71	Confident	72 Å²	72	75.4 Å²	75.4	39%	0.385	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-36.3	179.7	-65.9	-18.9	0	0	0	112	A408 R409 Q415 Q416	A408-D412 PolarHBondContact O-N 3.22Å; A408-D412 VanDerWaalsContact O-N 3.11Å; R409-D412 PolarHBondContact O-N 3.34Å; R409-D412 VanDerWaalsContact O-N 3.14Å; D412-Q415 WeakPolarHBondContact O-CB 3.34Å; D412-Q415 PolarHBondContact O-N 3.41Å; D412-Q416 WeakPolarHBondContact O-CG 3.36Å
413	D	70.6	Confident	69.2	Low	100 Å²	100	81 Å²	81	54%	0.535	39%	0.393	S	S	.	.	H	α-helix	trans	-66.5	-38.4	173.4	-79.4	-9.9	0	0	0	112.3	R409 R411 Q415 Q416 R417	R409-D413 WeakPolarHBondContact O-CB 3.34Å; R409-D413 PolarHBondContact O-N 2.91Å; R411-D413 VanDerWaalsContact C-N 3.3Å; R411-D413 PolarHBondContact O-N 3.37Å; D413-Q415 PolarHBondContact O-N 2.72Å; D413-Q416 PolarHBondContact O-N 3.44Å; D413-R417 PolarHBondContact O-N 3.49Å
414	S	61.8	Low	68.4	Low	29 Å²	29	81.9 Å²	81.9	20%	0.203	40%	0.398	C	S	.	.	H	α-helix	trans	-61.5	-29.2	176.6	78.9	0	0	0	0	112.2	H410 R411 Q416	H410-S414 WeakPolarHBondContact O-CB 3.25Å; H410-S414 PolarHBondContact O-N 2.88Å; R411-S414 WeakPolarHBondContact O-CB 3.33Å; R411-S414 PolarHBondContact O-N 3.43Å; R411-S414 PolarHBondContact O-OG 2.81Å; S414-Q416 VanDerWaalsContact C-N 3.31Å
415	Q	58.8	Low	68	Low	108 Å²	108	84.7 Å²	84.7	51%	0.505	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.4	171.8	-63.3	-177.8	9.2	0	0	113.1	R411 D412 D413 M468	R411-Q415 PolarHBondContact O-N 3.23Å; D412-Q415 WeakPolarHBondContact O-CB 3.34Å; D412-Q415 PolarHBondContact O-N 3.41Å; D413-Q415 PolarHBondContact O-N 2.72Å; Q415-M468 HydrophobicContact CG-CE 3.99Å; Q415-M468 HydrophobicContact CG-SD 3.69Å
416	Q	51.2	Low	67.8	Low	147 Å²	147	85.5 Å²	85.5	69%	0.687	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-16.3	-166.3	-72.7	-171.3	18.4	0	0	118.3	D412 D413 S414	D412-Q416 WeakPolarHBondContact O-CG 3.36Å; D413-Q416 PolarHBondContact O-N 3.44Å; S414-Q416 VanDerWaalsContact C-N 3.31Å
417	R	47.6	Very low	67.8	Low	207 Å²	207	88.2 Å²	88.2	78%	0.781	43%	0.434	S	S	*	.			trans	163.7	119.7	155.8	-95.6	160.5	-172.8	-172.8	3.2	116.9	D413 W419	D413-R417 PolarHBondContact O-N 3.49Å; R417-W419 PolarHBondContact O-N 2.79Å
418	S	47.7	Very low	67.9	Low	82 Å²	82	88.1 Å²	88.1	57%	0.573	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	29.7	-15.5	135.9	57.8	0	0	0	0	128.4
419	W	44.1	Very low	68.2	Low	180 Å²	180	87.5 Å²	87.5	68%	0.682	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-25.5	-175.2	-68.2	83.7	0	0	0	116.4	H76 R417	H76-W419 AromaticContact CD2-CH2 3.35Å; H76-W419 WeakPolarHBondContact CD2-CH2 3.35Å; H76-W419 AromaticContact CD2-CZ2 3.93Å; H76-W419 AromaticContact NE2-CH2 3.03Å; H76-W419 WeakPolarHBondContact NE2-CH2 3.4Å; H76-W419 AromaticContact NE2-CZ2 3.75Å; H76-W419 AromaticContact NE2-CZ3 3.39Å; H76-W419 WeakPolarHBondContact NE2-CZ3 3.26Å; R417-W419 PolarHBondContact O-N 2.79Å
420	A	45.9	Very low	68.7	Low	68 Å²	68	83.8 Å²	83.8	56%	0.562	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-80.1	-18.7	-177.8	0	0	0	0	0	114.1	H422 E423	A420-H422 PolarHBondContact O-N 3.31Å; A420-E423 PolarHBondContact O-N 3.23Å
421	L	51.7	Low	69.5	Low	30 Å²	30	84.1 Å²	84.1	16%	0.157	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-67.6	-2.1	-173.8	-71.2	165.9	0	0	0	115.2	D424 R471	L421-D424 WeakPolarHBondContact CA-OD1 3.31Å; L421-D424 VanDerWaalsContact O-OD1 3.13Å; L421-R471 PolarHBondContact O-NH1 3.2Å
422	H	51.3	Low	70.3	Confident	149 Å²	149	81.1 Å²	81.1	69%	0.69	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-106.4	-19.1	177.5	-68.7	31.7	0	0	0	112.2	A420	A420-H422 PolarHBondContact O-N 3.31Å
423	E	56.7	Low	71.3	Confident	175 Å²	175	82.9 Å²	82.9	82%	0.818	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-17.3	177.6	-65.5	-167.6	161.1	0	0	112.6	A420	A420-E423 PolarHBondContact O-N 3.23Å
424	D	77.1	Confident	72.5	Confident	19 Å²	19	80.9 Å²	80.9	10%	0.102	41%	0.407	C	S	.	.	S	Bend	trans	-92.1	-5.6	-177.3	63.9	2	0	0	0	114.6	H410 L421 A426 L427 I428 R471	H410-D424 IonicContact ND1-OD2 2.81Å; L421-D424 WeakPolarHBondContact CA-OD1 3.31Å; L421-D424 VanDerWaalsContact O-OD1 3.13Å; D424-A426 VanDerWaalsContact C-N 3.33Å; D424-A426 PolarHBondContact O-N 3.35Å; D424-L427 WeakPolarHBondContact O-CB 3.43Å; D424-L427 PolarHBondContact O-N 3.14Å; D424-I428 HydrophobicContact CB-CD1 4.05Å; D424-I428 HydrophobicContact CB-CG1 4.39Å; D424-I428 WeakPolarHBondContact O-CG1 3.44Å; D424-I428 PolarHBondContact O-N 3.28Å; D424-I428 WeakPolarHBondContact OD2-CD1 3.48Å; D424-R471 IonicContact OD1-CZ 3.81Å; D424-R471 IonicContact OD1-NH1 3.83Å; D424-R471 PolarHBondContact OD1-NH1 2.99Å; D424-R471 IonicContact OD1-NH2 3.38Å
425	H	85.9	Confident	74.2	Confident	65 Å²	65	79.5 Å²	79.5	30%	0.301	40%	0.398	S	S	.	.	H	α-helix	trans	-51.9	-50.6	-175.1	173.1	-90.8	0	0	0	112.4	L427 I428 A429 S473	H425-L427 VanDerWaalsContact C-N 3.31Å; H425-L427 PolarHBondContact O-N 2.91Å; H425-I428 PolarHBondContact O-N 2.66Å; H425-A429 VanDerWaalsContact O-CB 3.3Å; H425-A429 WeakPolarHBondContact O-CB 3.48Å; H425-A429 PolarHBondContact O-N 3.35Å; H425-S473 PolarHBondContact NE2-OG 3.12Å
426	A	88.4	Confident	76	Confident	65 Å²	65	76.1 Å²	76.1	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-36.9	-179.1	0	0	0	0	0	112	D424 C430	D424-A426 VanDerWaalsContact C-N 3.33Å; D424-A426 PolarHBondContact O-N 3.35Å; A426-C430 WeakPolarHBondContact O-CB 3.38Å; A426-C430 PolarHBondContact O-N 2.74Å; A426-C430 PolarHBondContact O-SG 2.77Å
427	L	89.9	Confident	78.1	Confident	85 Å²	85	74.7 Å²	74.7	45%	0.445	38%	0.375	S	S	.	.	H	α-helix	trans	-67.5	-46.3	178.7	179.8	63.3	0	0	0	111.1	D424 H425 C430 Y431	D424-L427 WeakPolarHBondContact O-CB 3.43Å; D424-L427 PolarHBondContact O-N 3.14Å; H425-L427 VanDerWaalsContact C-N 3.31Å; H425-L427 PolarHBondContact O-N 2.91Å; L427-C430 WeakPolarHBondContact O-CB 2.93Å; L427-C430 PolarHBondContact O-N 2.7Å; L427-Y431 HydrophobicContact CD1-CD2 4.22Å; L427-Y431 HydrophobicContact CD1-CE2 3.66Å; L427-Y431 HydrophobicContact CD2-CE2 4.04Å; L427-Y431 HydrophobicContact CG-CD2 3.97Å; L427-Y431 HydrophobicContact CG-CE2 3.55Å; L427-Y431 VanDerWaalsContact O-CD2 3.26Å; L427-Y431 WeakPolarHBondContact O-CD2 3.38Å; L427-Y431 PolarHBondContact O-N 2.81Å
428	I	90.8	Very high	80.3	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-41.8	178	-61.8	168.6	0	0	0	110.4	L407 D424 H425 C430 Y431 L432 Y465 L474	L407-I428 HydrophobicContact CD2-CG2 4.08Å; D424-I428 HydrophobicContact CB-CD1 4.05Å; D424-I428 HydrophobicContact CB-CG1 4.39Å; D424-I428 WeakPolarHBondContact O-CG1 3.44Å; D424-I428 PolarHBondContact O-N 3.28Å; D424-I428 WeakPolarHBondContact OD2-CD1 3.48Å; H425-I428 PolarHBondContact O-N 2.66Å; I428-C430 VanDerWaalsContact C-N 3.34Å; I428-C430 PolarHBondContact O-N 2.74Å; I428-Y431 PolarHBondContact O-N 3.35Å; I428-L432 HydrophobicContact CG2-CD1 3.98Å; I428-L432 HydrophobicContact CG2-CG 4.25Å; I428-L432 WeakPolarHBondContact O-CG 3.45Å; I428-L432 PolarHBondContact O-N 3.22Å; I428-Y465 HydrophobicContact CG2-CE1 4.15Å; I428-Y465 WeakPolarHBondContact CG2-OH 3.38Å; I428-L474 HydrophobicContact CB-CD1 4.29Å; I428-L474 HydrophobicContact CB-CD2 4.42Å; I428-L474 HydrophobicContact CG2-CD1 3.99Å; I428-L474 HydrophobicContact CG2-CD2 4.14Å
429	A	93.7	Very high	82.6	Confident	11 Å²	11	61.6 Å²	61.6	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-57.7	-47.4	174	0	0	0	0	0	111.1	H425 Y431 L432 E433 L474 L477	H425-A429 VanDerWaalsContact O-CB 3.3Å; H425-A429 WeakPolarHBondContact O-CB 3.48Å; H425-A429 PolarHBondContact O-N 3.35Å; A429-Y431 VanDerWaalsContact C-N 3.34Å; A429-Y431 PolarHBondContact O-N 2.99Å; A429-L432 PolarHBondContact O-N 2.76Å; A429-E433 WeakPolarHBondContact O-CB 3.41Å; A429-E433 VanDerWaalsContact O-CG 3.3Å; A429-E433 WeakPolarHBondContact O-CG 3.25Å; A429-E433 PolarHBondContact O-N 3.32Å; A429-L474 HydrophobicContact CB-CD2 3.86Å; A429-L477 HydrophobicContact CB-CD1 4.05Å
430	C	94.5	Very high	85	Confident	73 Å²	73	57.5 Å²	57.5	49%	0.493	31%	0.308	S	S	.	.	H	α-helix	trans	-57.5	-44.4	175	-72.6	0	0	0	0	112.2	A426 L427 I428 E433 E434	A426-C430 WeakPolarHBondContact O-CB 3.38Å; A426-C430 PolarHBondContact O-N 2.74Å; A426-C430 PolarHBondContact O-SG 2.77Å; L427-C430 WeakPolarHBondContact O-CB 2.93Å; L427-C430 PolarHBondContact O-N 2.7Å; I428-C430 VanDerWaalsContact C-N 3.34Å; I428-C430 PolarHBondContact O-N 2.74Å; C430-E433 PolarHBondContact O-N 3.22Å; C430-E434 VanDerWaalsContact O-CB 3.25Å; C430-E434 WeakPolarHBondContact O-CB 3.37Å; C430-E434 PolarHBondContact O-N 3.17Å
431	Y	95.4	Very high	87.2	Confident	38 Å²	38	56.7 Å²	56.7	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-63	-42.2	177	-75.4	-50.8	0	0	0	112.5	I403 D406 L427 I428 A429 L435	I403-Y431 HydrophobicContact CG1-CD1 4.05Å; D406-Y431 HydrophobicContact CB-CE2 4.13Å; D406-Y431 PolarHBondContact OD2-OH 2.64Å; L427-Y431 HydrophobicContact CD1-CD2 4.22Å; L427-Y431 HydrophobicContact CD1-CE2 3.66Å; L427-Y431 HydrophobicContact CD2-CE2 4.04Å; L427-Y431 HydrophobicContact CG-CD2 3.97Å; L427-Y431 HydrophobicContact CG-CE2 3.55Å; L427-Y431 VanDerWaalsContact O-CD2 3.26Å; L427-Y431 WeakPolarHBondContact O-CD2 3.38Å; L427-Y431 PolarHBondContact O-N 2.81Å; I428-Y431 PolarHBondContact O-N 3.35Å; A429-Y431 VanDerWaalsContact C-N 3.34Å; A429-Y431 PolarHBondContact O-N 2.99Å; Y431-L435 VanDerWaalsContact O-CB 3.23Å; Y431-L435 WeakPolarHBondContact O-CB 3.49Å; Y431-L435 PolarHBondContact O-N 2.99Å
432	L	96.6	Very high	89.1	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-72.1	-36.4	179.2	-66.8	175.6	0	0	0	112.6	L407 I428 A429 L435 L436 L474 L477 L478	L407-L432 HydrophobicContact CD1-CD2 3.77Å; L407-L432 HydrophobicContact CD2-CD2 4.23Å; L407-L432 HydrophobicContact CD2-CG 4.46Å; I428-L432 HydrophobicContact CG2-CD1 3.98Å; I428-L432 HydrophobicContact CG2-CG 4.25Å; I428-L432 WeakPolarHBondContact O-CG 3.45Å; I428-L432 PolarHBondContact O-N 3.22Å; A429-L432 PolarHBondContact O-N 2.76Å; L432-L435 PolarHBondContact O-N 3.48Å; L432-L436 VanDerWaalsContact O-CB 3.3Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 3.24Å; L432-L474 HydrophobicContact CD1-CB 4.38Å; L432-L474 HydrophobicContact CD1-CD2 4.24Å; L432-L477 HydrophobicContact CB-CB 3.88Å; L432-L477 HydrophobicContact CB-CD1 4.11Å; L432-L477 HydrophobicContact CD1-CB 3.91Å; L432-L477 HydrophobicContact CD1-CD1 4.45Å; L432-L478 HydrophobicContact CD1-CD2 4.24Å; L432-L478 HydrophobicContact CD1-CG 3.94Å; L432-L478 HydrophobicContact CD2-CD2 3.59Å; L432-L478 HydrophobicContact CD2-CG 4.19Å
433	E	96.9	Very high	90.8	Very high	108 Å²	108	49 Å²	49	51%	0.505	26%	0.26	S	S	.	.	H	α-helix	trans	-65.8	-43.5	173.5	-75.1	175.9	-178.4	0	0	111.2	A429 C430 L436 K437 L477	A429-E433 WeakPolarHBondContact O-CB 3.41Å; A429-E433 VanDerWaalsContact O-CG 3.3Å; A429-E433 WeakPolarHBondContact O-CG 3.25Å; A429-E433 PolarHBondContact O-N 3.32Å; C430-E433 PolarHBondContact O-N 3.22Å; E433-L436 PolarHBondContact O-N 2.9Å; E433-K437 WeakPolarHBondContact O-CB 3.48Å; E433-K437 PolarHBondContact O-N 3.3Å; E433-L477 HydrophobicContact CG-CD1 4.09Å; E433-L477 HydrophobicContact CG-CD2 3.81Å
434	E	95.8	Very high	92.4	Very high	58 Å²	58	43.4 Å²	43.4	27%	0.271	24%	0.238	S	C	.	.	H	α-helix	trans	-64.9	-43.4	174.7	-170.5	179.4	-179.2	0	0	111.2	R399 I403 C430 L436 K437 I438	R399-E434 IonicContact CZ-OE1 2.76Å; R399-E434 VanDerWaalsContact CZ-OE1 3.26Å; R399-E434 IonicContact CZ-OE2 2.57Å; R399-E434 IonicContact NE-OE1 3.73Å; R399-E434 PolarHBondContact NE-OE1 3.21Å; R399-E434 IonicContact NE-OE2 2.9Å; R399-E434 IonicContact NH2-OE1 3.96Å; R399-E434 PolarHBondContact NH2-OE1 3.39Å; R399-E434 IonicContact NH2-OE2 2.77Å; R399-E434 PolarHBondContact NH2-OE2 3.12Å; I403-E434 HydrophobicContact CD1-CB 4.13Å; I403-E434 HydrophobicContact CD1-CG 3.81Å; C430-E434 VanDerWaalsContact O-CB 3.25Å; C430-E434 WeakPolarHBondContact O-CB 3.37Å; C430-E434 PolarHBondContact O-N 3.17Å; E434-L436 PolarHBondContact O-N 3.22Å; E434-K437 PolarHBondContact O-N 3.46Å; E434-I438 HydrophobicContact CG-CD1 3.99Å; E434-I438 VanDerWaalsContact O-CG1 3.31Å; E434-I438 WeakPolarHBondContact O-CG1 3.4Å; E434-I438 PolarHBondContact O-N 2.67Å
435	L	97.4	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-49.8	174.7	-179.8	57.1	0	0	0	111.2	L400 I403 F404 L407 Y431 L432 K437 I438 L439 L462 V481	L400-L435 HydrophobicContact CD2-CD1 3.46Å; L400-L435 VanDerWaalsContact CD2-CD1 3.46Å; I403-L435 HydrophobicContact CG2-CB 4.04Å; I403-L435 HydrophobicContact CG2-CD1 4.49Å; I403-L435 HydrophobicContact CG2-CD2 4.44Å; F404-L435 HydrophobicContact CE1-CD1 4.01Å; F404-L435 HydrophobicContact CE1-CD2 4.14Å; F404-L435 HydrophobicContact CZ-CD1 3.88Å; L407-L435 HydrophobicContact CD1-CD2 4.14Å; Y431-L435 VanDerWaalsContact O-CB 3.23Å; Y431-L435 WeakPolarHBondContact O-CB 3.49Å; Y431-L435 PolarHBondContact O-N 2.99Å; L432-L435 PolarHBondContact O-N 3.48Å; L435-K437 VanDerWaalsContact C-N 3.3Å; L435-K437 PolarHBondContact O-N 2.98Å; L435-I438 PolarHBondContact O-N 3.02Å; L435-L439 HydrophobicContact CD1-CD1 3.89Å; L435-L439 HydrophobicContact CD1-CD2 4.46Å; L435-L439 HydrophobicContact CD1-CG 3.97Å; L435-L439 HydrophobicContact CG-CD1 3.88Å; L435-L439 HydrophobicContact CG-CG 4.36Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 VanDerWaalsContact O-CG 3.26Å; L435-L439 WeakPolarHBondContact O-CG 3.45Å; L435-L439 PolarHBondContact O-N 3.14Å; L435-L462 HydrophobicContact CD2-CD1 3.94Å; L435-V481 HydrophobicContact CB-CG2 4.48Å; L435-V481 HydrophobicContact CD2-CG1 3.67Å; L435-V481 HydrophobicContact CD2-CG2 4.14Å; L435-V481 HydrophobicContact CG-CG1 4.12Å; L435-V481 HydrophobicContact CG-CG2 4.21Å
436	L	97.4	Very high	93	Very high	37 Å²	37	42.3 Å²	42.3	19%	0.194	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-43.8	178.1	178.4	60.7	0	0	0	111.3	L432 E433 E434 L439 T440 K480 V481 A484	L432-L436 VanDerWaalsContact O-CB 3.3Å; L432-L436 WeakPolarHBondContact O-CB 3.36Å; L432-L436 PolarHBondContact O-N 3.24Å; E433-L436 PolarHBondContact O-N 2.9Å; E434-L436 PolarHBondContact O-N 3.22Å; L436-L439 PolarHBondContact O-N 3.39Å; L436-T440 WeakPolarHBondContact O-CB 3.37Å; L436-T440 PolarHBondContact O-N 3Å; L436-T440 PolarHBondContact O-OG1 3.4Å; L436-K480 HydrophobicContact CD1-CB 3.99Å; L436-K480 HydrophobicContact CD2-CB 3.72Å; L436-K480 HydrophobicContact CD2-CD 3.98Å; L436-K480 HydrophobicContact CD2-CG 4.46Å; L436-V481 HydrophobicContact CB-CG2 4.01Å; L436-A484 HydrophobicContact CD1-CB 3.9Å
437	K	95.2	Very high	93.2	Very high	118 Å²	118	39.2 Å²	39.2	51%	0.513	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-47.7	177	-174.6	-179.8	178.9	-179.4	0	111.2	E433 E434 L435 T440 D441	E433-K437 WeakPolarHBondContact O-CB 3.48Å; E433-K437 PolarHBondContact O-N 3.3Å; E434-K437 PolarHBondContact O-N 3.46Å; L435-K437 VanDerWaalsContact C-N 3.3Å; L435-K437 PolarHBondContact O-N 2.98Å; K437-T440 PolarHBondContact O-N 3.4Å; K437-D441 WeakPolarHBondContact CG-OD2 3.45Å; K437-D441 VanDerWaalsContact O-CB 3.26Å; K437-D441 WeakPolarHBondContact O-CB 3.05Å; K437-D441 PolarHBondContact O-N 3.42Å
438	I	94.9	Very high	93.3	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-48	179.3	-64.9	167.2	0	0	0	110.3	D396 R399 L400 I403 E434 L435 T440 D441 A442	D396-I438 HydrophobicContact CB-CG2 3.99Å; R399-I438 HydrophobicContact CB-CD1 3.7Å; L400-I438 HydrophobicContact CD1-CG2 3.85Å; L400-I438 HydrophobicContact CD2-CB 4.19Å; L400-I438 HydrophobicContact CD2-CD1 4.42Å; L400-I438 HydrophobicContact CD2-CG2 3.76Å; L400-I438 HydrophobicContact CG-CG2 3.74Å; I403-I438 HydrophobicContact CD1-CD1 3.83Å; E434-I438 HydrophobicContact CG-CD1 3.99Å; E434-I438 VanDerWaalsContact O-CG1 3.31Å; E434-I438 WeakPolarHBondContact O-CG1 3.4Å; E434-I438 PolarHBondContact O-N 2.67Å; L435-I438 PolarHBondContact O-N 3.02Å; I438-T440 PolarHBondContact O-N 3.48Å; I438-T440 VanDerWaalsContact O-N 3.16Å; I438-D441 PolarHBondContact O-N 3.43Å; I438-A442 HydrophobicContact CG2-CB 3.76Å; I438-A442 WeakPolarHBondContact O-CB 3.4Å; I438-A442 PolarHBondContact O-N 2.69Å
439	L	95.6	Very high	93.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-25.5	179.9	-67.1	174.1	0	0	0	113.6	L435 L436 C447 V481 A484 M485 L488	L435-L439 HydrophobicContact CD1-CD1 3.89Å; L435-L439 HydrophobicContact CD1-CD2 4.46Å; L435-L439 HydrophobicContact CD1-CG 3.97Å; L435-L439 HydrophobicContact CG-CD1 3.88Å; L435-L439 HydrophobicContact CG-CG 4.36Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 VanDerWaalsContact O-CG 3.26Å; L435-L439 WeakPolarHBondContact O-CG 3.45Å; L435-L439 PolarHBondContact O-N 3.14Å; L436-L439 PolarHBondContact O-N 3.39Å; L439-C447 HydrophobicContact CD2-CB 3.93Å; L439-V481 HydrophobicContact CD1-CG1 3.86Å; L439-A484 HydrophobicContact CB-CB 3.98Å; L439-A484 HydrophobicContact CD1-CB 4.42Å; L439-M485 HydrophobicContact CD1-CE 3.96Å; L439-M485 HydrophobicContact CD1-CG 3.95Å; L439-L488 HydrophobicContact CD2-CD1 3.92Å
440	T	94.4	Very high	93.2	Very high	93 Å²	93	41.7 Å²	41.7	57%	0.571	21%	0.21	S	C	*	.	H	α-helix	trans	-91.3	-40.8	179.5	-50.3	0	0	0	0	112.2	L436 K437 I438	L436-T440 WeakPolarHBondContact O-CB 3.37Å; L436-T440 PolarHBondContact O-N 3Å; L436-T440 PolarHBondContact O-OG1 3.4Å; K437-T440 PolarHBondContact O-N 3.4Å; I438-T440 PolarHBondContact O-N 3.48Å; I438-T440 VanDerWaalsContact O-N 3.16Å
441	D	92.4	Very high	93.2	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-103.7	-17	-167.6	-67.8	-22	0	0	0	114	R339 S345 F346 K437 I438	R339-D441 PolarHBondContact NH1-O 3.37Å; R339-D441 PolarHBondContact NH2-O 3.06Å; S345-D441 CarbonylContact C-O 3.51Å; S345-D441 WeakPolarHBondContact CA-O 3.47Å; F346-D441 PolarHBondContact N-O 3.25Å; K437-D441 WeakPolarHBondContact CG-OD2 3.45Å; K437-D441 VanDerWaalsContact O-CB 3.26Å; K437-D441 WeakPolarHBondContact O-CB 3.05Å; K437-D441 PolarHBondContact O-N 3.42Å; I438-D441 PolarHBondContact O-N 3.43Å
442	A	91	Very high	93.1	Very high	6 Å²	6	40.1 Å²	40.1	5%	0.05	20%	0.196	C	C	.	.	S	Bend	trans	-83.4	177.6	-176	0	0	0	0	0	113.5	R339 D396 I438 P444	R339-A442 VanDerWaalsContact NH2-CB 3.28Å; D396-A442 HydrophobicContact CB-CB 4.18Å; D396-A442 WeakPolarHBondContact OD2-CB 3.48Å; I438-A442 HydrophobicContact CG2-CB 3.76Å; I438-A442 WeakPolarHBondContact O-CB 3.4Å; I438-A442 PolarHBondContact O-N 2.69Å; A442-P444 VanDerWaalsContact O-CD 3.26Å; A442-P444 WeakPolarHBondContact O-CD 3.38Å
443	D	87.6	Confident	92.8	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	21%	0.212	C	C	.	.			trans	-58.3	118.5	169.2	-179.8	-4.8	0	0	0	109.1	F346 S385 E445 V446 C447	F346-D443 HydrophobicContact CD2-CB 3.8Å; F346-D443 HydrophobicContact CE2-CB 3.87Å; F346-D443 HydrophobicContact CG-CB 4.13Å; F346-D443 HydrophobicContact CZ-CB 4.27Å; S385-D443 WeakPolarHBondContact CB-OD2 3.43Å; S385-D443 PolarHBondContact N-OD2 3.44Å; S385-D443 PolarHBondContact OG-OD2 3.2Å; D443-E445 PolarHBondContact O-N 3.31Å; D443-E445 PolarHBondContact OD1-N 3.46Å; D443-V446 HydrophobicContact CB-CB 4.31Å; D443-V446 HydrophobicContact CB-CG2 3.89Å; D443-V446 PolarHBondContact O-N 2.57Å; D443-V446 VanDerWaalsContact O-N 3.13Å; D443-C447 PolarHBondContact O-N 2.97Å; D443-C447 PolarHBondContact O-SG 3.36Å
444	P	88.8	Confident	92.4	Very high	57 Å²	57	42.5 Å²	42.5	37%	0.37	22%	0.216	S	C	.	.	H	α-helix	trans	-57.5	-30.1	178.7	-25.4	35.5	0	0	0	113.3	A442 C447 K448 L488	A442-P444 VanDerWaalsContact O-CD 3.26Å; A442-P444 WeakPolarHBondContact O-CD 3.38Å; P444-C447 PolarHBondContact O-N 3Å; P444-K448 WeakPolarHBondContact O-CB 3.47Å; P444-K448 WeakPolarHBondContact O-CE 3.45Å; P444-K448 VanDerWaalsContact O-CG 3.31Å; P444-K448 WeakPolarHBondContact O-CG 3.44Å; P444-K448 PolarHBondContact O-N 3.41Å; P444-L488 HydrophobicContact CB-CD2 4.11Å
445	E	87	Confident	92.3	Very high	61 Å²	61	46.6 Å²	46.6	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-69.3	-37.3	178.4	-61.3	-52.9	141.7	0	0	112.2	D443 K448 R449	D443-E445 PolarHBondContact O-N 3.31Å; D443-E445 PolarHBondContact OD1-N 3.46Å; E445-K448 VanDerWaalsContact CD-CE 3.44Å; E445-K448 VanDerWaalsContact OE1-CE 3.29Å; E445-K448 WeakPolarHBondContact OE1-CE 3.41Å; E445-K448 IonicContact OE1-NZ 3.66Å; E445-K448 PolarHBondContact OE1-NZ 3.44Å; E445-K448 WeakPolarHBondContact OE2-CE 3.47Å; E445-K448 IonicContact OE2-NZ 2.77Å; E445-K448 PolarHBondContact OE2-NZ 3Å; E445-R449 VanDerWaalsContact O-CB 3.32Å; E445-R449 WeakPolarHBondContact O-CB 3.45Å; E445-R449 PolarHBondContact O-N 3.21Å
446	V	89.5	Confident	92.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-48	173.6	176.2	0	0	0	0	109.8	S385 E397 L400 D443 K448 R449 M450	S385-V446 WeakPolarHBondContact OG-CG2 3.43Å; E397-V446 HydrophobicContact CB-CG1 3.78Å; E397-V446 HydrophobicContact CG-CG1 4.4Å; L400-V446 HydrophobicContact CD1-CG1 4.36Å; D443-V446 HydrophobicContact CB-CB 4.31Å; D443-V446 HydrophobicContact CB-CG2 3.89Å; D443-V446 PolarHBondContact O-N 2.57Å; D443-V446 VanDerWaalsContact O-N 3.13Å; V446-K448 PolarHBondContact O-N 3.16Å; V446-R449 PolarHBondContact O-N 2.98Å; V446-M450 HydrophobicContact CG1-CG 4.45Å; V446-M450 WeakPolarHBondContact O-CB 3.35Å; V446-M450 WeakPolarHBondContact O-CG 3.33Å; V446-M450 PolarHBondContact O-N 2.8Å
447	C	93.1	Very high	92	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-45.7	179.4	-62.7	0	0	0	0	111.5	L439 D443 P444 M450 C451 L488	L439-C447 HydrophobicContact CD2-CB 3.93Å; D443-C447 PolarHBondContact O-N 2.97Å; D443-C447 PolarHBondContact O-SG 3.36Å; P444-C447 PolarHBondContact O-N 3Å; C447-M450 PolarHBondContact O-N 3.17Å; C447-C451 WeakPolarHBondContact O-CB 3.34Å; C447-C451 PolarHBondContact O-N 2.9Å; C447-C451 PolarHBondContact O-SG 3.22Å; C447-L488 HydrophobicContact CB-CD1 3.62Å; C447-L488 HydrophobicContact CB-CD2 4.1Å
448	K	91.9	Very high	91.9	Very high	35 Å²	35	47.8 Å²	47.8	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-59.6	-46.9	175.5	-80.2	-175.1	-76.1	171.7	0	112	P444 E445 V446 M450 C451 K452 L488 D489	P444-K448 WeakPolarHBondContact O-CB 3.47Å; P444-K448 WeakPolarHBondContact O-CE 3.45Å; P444-K448 VanDerWaalsContact O-CG 3.31Å; P444-K448 WeakPolarHBondContact O-CG 3.44Å; P444-K448 PolarHBondContact O-N 3.41Å; E445-K448 VanDerWaalsContact CD-CE 3.44Å; E445-K448 VanDerWaalsContact OE1-CE 3.29Å; E445-K448 WeakPolarHBondContact OE1-CE 3.41Å; E445-K448 IonicContact OE1-NZ 3.66Å; E445-K448 PolarHBondContact OE1-NZ 3.44Å; E445-K448 WeakPolarHBondContact OE2-CE 3.47Å; E445-K448 IonicContact OE2-NZ 2.77Å; E445-K448 PolarHBondContact OE2-NZ 3Å; V446-K448 PolarHBondContact O-N 3.16Å; K448-M450 PolarHBondContact O-N 3.42Å; K448-C451 PolarHBondContact O-N 3.25Å; K448-K452 VanDerWaalsContact O-CB 3.3Å; K448-K452 WeakPolarHBondContact O-CB 3.3Å; K448-K452 WeakPolarHBondContact O-CG 3.17Å; K448-K452 PolarHBondContact O-N 3.48Å; K448-L488 WeakPolarHBondContact CD-O 3.27Å; K448-L488 HydrophobicContact CG-CB 4.01Å; K448-D489 HydrophobicContact CD-CB 3.93Å; K448-D489 HydrophobicContact CG-CB 4.18Å
449	R	90.4	Very high	92	Very high	97 Å²	97	47.4 Å²	47.4	37%	0.366	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-46.4	178.6	-168.9	-170.2	-50.3	143.1	8.8	111.3	S385 E397 E445 V446 K452 S453	S385-R449 PolarHBondContact OG-NH2 3.22Å; E397-R449 IonicContact OE1-NH1 2.76Å; E397-R449 IonicContact OE2-NH1 2.96Å; E397-R449 PolarHBondContact OE2-NH1 3.37Å; E445-R449 VanDerWaalsContact O-CB 3.32Å; E445-R449 WeakPolarHBondContact O-CB 3.45Å; E445-R449 PolarHBondContact O-N 3.21Å; V446-R449 PolarHBondContact O-N 2.98Å; R449-K452 PolarHBondContact O-N 2.98Å; R449-S453 PolarHBondContact O-N 3.26Å; R449-S453 VanDerWaalsContact O-N 3.08Å
450	M	92.4	Very high	92	Very high	17 Å²	17	50.5 Å²	50.5	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-37.1	179.5	-71.8	-54.4	-61	0	0	113.1	E397 L400 E401 F404 V446 C447 K448 S453 N458	E397-M450 HydrophobicContact CG-CG 4.17Å; E397-M450 HydrophobicContact CG-SD 3.7Å; L400-M450 HydrophobicContact CB-CB 4.29Å; L400-M450 HydrophobicContact CB-CE 4.16Å; L400-M450 HydrophobicContact CB-CG 4.05Å; L400-M450 HydrophobicContact CD1-CB 3.88Å; L400-M450 HydrophobicContact CD1-CG 3.79Å; E401-M450 HydrophobicContact CB-CE 3.99Å; F404-M450 HydrophobicContact CD2-CE 4.47Å; F404-M450 HydrophobicContact CE2-CB 4.18Å; V446-M450 HydrophobicContact CG1-CG 4.45Å; V446-M450 WeakPolarHBondContact O-CB 3.35Å; V446-M450 WeakPolarHBondContact O-CG 3.33Å; V446-M450 PolarHBondContact O-N 2.8Å; C447-M450 PolarHBondContact O-N 3.17Å; K448-M450 PolarHBondContact O-N 3.42Å; M450-S453 WeakPolarHBondContact O-CB 3.26Å; M450-N458 PolarHBondContact O-ND2 2.85Å
451	C	93.9	Very high	91.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-32.1	174.3	-65.3	0	0	0	0	112.4	C447 K448 S453 Y456 V459 L492	C447-C451 WeakPolarHBondContact O-CB 3.34Å; C447-C451 PolarHBondContact O-N 2.9Å; C447-C451 PolarHBondContact O-SG 3.22Å; K448-C451 PolarHBondContact O-N 3.25Å; C451-S453 VanDerWaalsContact C-N 3.35Å; C451-Y456 WeakPolarHBondContact O-CA 3.22Å; C451-Y456 WeakPolarHBondContact O-CD1 3.39Å; C451-V459 HydrophobicContact CB-CG2 3.89Å; C451-L492 HydrophobicContact CB-CD1 4.1Å; C451-L492 HydrophobicContact CB-CD2 3.68Å
452	K	92.4	Very high	92.1	Very high	78 Å²	78	44.6 Å²	44.6	34%	0.339	23%	0.225	S	C	.	.	H	α-helix	trans	-78.8	-15.5	178.1	-74.6	173.8	179.3	-176.6	0	114	K448 R449 N455 Y456 D489	K448-K452 VanDerWaalsContact O-CB 3.3Å; K448-K452 WeakPolarHBondContact O-CB 3.3Å; K448-K452 WeakPolarHBondContact O-CG 3.17Å; K448-K452 PolarHBondContact O-N 3.48Å; R449-K452 PolarHBondContact O-N 2.98Å; K452-N455 PolarHBondContact O-N 2.89Å; K452-Y456 HydrophobicContact CB-CE1 4.14Å; K452-Y456 HydrophobicContact CG-CD1 4.24Å; K452-Y456 HydrophobicContact CG-CE1 3.41Å; K452-Y456 VanDerWaalsContact CG-CE1 3.41Å; K452-Y456 PolarHBondContact O-N 3.43Å; K452-D489 WeakPolarHBondContact CE-OD2 3.49Å; K452-D489 IonicContact NZ-OD2 3.74Å; K452-D489 PolarHBondContact NZ-OD2 2.88Å
453	S	90.3	Very high	92.3	Very high	48 Å²	48	44.5 Å²	44.5	34%	0.336	22%	0.224	S	C	.	.	H	α-helix	trans	-55	142.2	-177.8	-166.2	0	0	0	0	111.9	R449 M450 C451 N455 Y456 E457	R449-S453 PolarHBondContact O-N 3.26Å; R449-S453 VanDerWaalsContact O-N 3.08Å; M450-S453 WeakPolarHBondContact O-CB 3.26Å; C451-S453 VanDerWaalsContact C-N 3.35Å; S453-N455 VanDerWaalsContact C-N 3.32Å; S453-N455 PolarHBondContact O-N 3.02Å; S453-Y456 PolarHBondContact O-N 3.33Å; S453-Y456 VanDerWaalsContact O-N 3.07Å; S453-E457 PolarHBondContact O-N 3.22Å
454	N	89.8	Confident	92.6	Very high	109 Å²	109	45.1 Å²	45.1	58%	0.583	23%	0.23	S	C	*	.	H	α-helix	trans	48.2	45.8	-178.3	-62.8	-11.6	0	0	0	114.4	Y456 E457	N454-Y456 VanDerWaalsContact C-N 3.33Å; N454-Y456 PolarHBondContact O-N 3.13Å; N454-E457 HydrophobicContact CB-CB 3.75Å; N454-E457 WeakPolarHBondContact CB-OE2 3.31Å; N454-E457 PolarHBondContact ND2-OE2 2.93Å; N454-E457 WeakPolarHBondContact O-CB 3.1Å; N454-E457 PolarHBondContact O-N 3.28Å
455	N	92.6	Very high	92.8	Very high	144 Å²	144	42.5 Å²	42.5	77%	0.77	21%	0.212	S	C	*	.	H	α-helix	trans	54.9	47.4	-176.8	-60.8	-22.4	0	0	0	112.6	K452 S453 E457	K452-N455 PolarHBondContact O-N 2.89Å; S453-N455 VanDerWaalsContact C-N 3.32Å; S453-N455 PolarHBondContact O-N 3.02Å; N455-E457 VanDerWaalsContact C-N 3.29Å; N455-E457 PolarHBondContact O-N 3.39Å
456	Y	95.3	Very high	93.1	Very high	48 Å²	48	39.6 Å²	39.6	19%	0.188	20%	0.199	C	C	.	.	H	α-helix	trans	66.7	22.7	178.1	-48.3	-89.7	0	0	0	115.3	C451 K452 S453 N454 N458 V459 L460 V491 L492 T495	C451-Y456 WeakPolarHBondContact O-CA 3.22Å; C451-Y456 WeakPolarHBondContact O-CD1 3.39Å; K452-Y456 HydrophobicContact CB-CE1 4.14Å; K452-Y456 HydrophobicContact CG-CD1 4.24Å; K452-Y456 HydrophobicContact CG-CE1 3.41Å; K452-Y456 VanDerWaalsContact CG-CE1 3.41Å; K452-Y456 PolarHBondContact O-N 3.43Å; S453-Y456 PolarHBondContact O-N 3.33Å; S453-Y456 VanDerWaalsContact O-N 3.07Å; N454-Y456 VanDerWaalsContact C-N 3.33Å; N454-Y456 PolarHBondContact O-N 3.13Å; Y456-N458 VanDerWaalsContact C-N 3.25Å; Y456-N458 PolarHBondContact O-N 3.39Å; Y456-V459 PolarHBondContact O-N 3.04Å; Y456-V459 VanDerWaalsContact O-N 3.08Å; Y456-L460 WeakPolarHBondContact O-CG 3.46Å; Y456-L460 PolarHBondContact O-N 2.93Å; Y456-V491 HydrophobicContact CE1-CG1 4.49Å; Y456-V491 HydrophobicContact CE2-CG1 4.48Å; Y456-V491 WeakPolarHBondContact OH-CG1 3.44Å; Y456-L492 HydrophobicContact CD1-CD2 3.63Å; Y456-L492 HydrophobicContact CE1-CD2 3.67Å; Y456-T495 HydrophobicContact CD1-CG2 4.3Å; Y456-T495 HydrophobicContact CD2-CG2 4.32Å; Y456-T495 HydrophobicContact CG-CG2 3.88Å
457	E	94.4	Very high	93.2	Very high	106 Å²	106	42.9 Å²	42.9	50%	0.495	21%	0.214	S	C	.	.	H	α-helix	trans	-53	-42.7	179	-175.1	179.1	-171.7	0	0	112.3	S453 N454 N455 V459 L460 S461	S453-E457 PolarHBondContact O-N 3.22Å; N454-E457 HydrophobicContact CB-CB 3.75Å; N454-E457 WeakPolarHBondContact CB-OE2 3.31Å; N454-E457 PolarHBondContact ND2-OE2 2.93Å; N454-E457 WeakPolarHBondContact O-CB 3.1Å; N454-E457 PolarHBondContact O-N 3.28Å; N455-E457 VanDerWaalsContact C-N 3.29Å; N455-E457 PolarHBondContact O-N 3.39Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V459 PolarHBondContact O-N 3.11Å; E457-L460 PolarHBondContact O-N 3.24Å; E457-S461 VanDerWaalsContact O-CB 3.25Å; E457-S461 WeakPolarHBondContact O-CB 3.28Å; E457-S461 PolarHBondContact O-N 2.8Å
458	N	93.2	Very high	93	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-44	178.7	-70.2	-23.6	0	0	0	112.2	F404 M450 Y456 L462	F404-N458 HydrophobicContact CB-CB 4.24Å; F404-N458 HydrophobicContact CD1-CB 3.79Å; F404-N458 HydrophobicContact CD2-CB 4.07Å; F404-N458 HydrophobicContact CE1-CB 4.08Å; F404-N458 HydrophobicContact CE2-CB 4.35Å; F404-N458 HydrophobicContact CG-CB 3.79Å; F404-N458 HydrophobicContact CZ-CB 4.36Å; M450-N458 PolarHBondContact O-ND2 2.85Å; Y456-N458 VanDerWaalsContact C-N 3.25Å; Y456-N458 PolarHBondContact O-N 3.39Å; N458-L462 PolarHBondContact O-N 3.36Å
459	V	95.9	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-46.2	179.3	-179.7	0	0	0	0	110.3	C451 Y456 E457 S461 L462 V463 M485 L492 L496	C451-V459 HydrophobicContact CB-CG2 3.89Å; Y456-V459 PolarHBondContact O-N 3.04Å; Y456-V459 VanDerWaalsContact O-N 3.08Å; E457-V459 VanDerWaalsContact C-N 3.34Å; E457-V459 PolarHBondContact O-N 3.11Å; V459-S461 VanDerWaalsContact C-N 3.31Å; V459-S461 PolarHBondContact O-N 3.2Å; V459-L462 WeakPolarHBondContact O-CB 3.24Å; V459-L462 PolarHBondContact O-N 3.31Å; V459-V463 WeakPolarHBondContact O-CG2 3.34Å; V459-V463 PolarHBondContact O-N 3.45Å; V459-M485 HydrophobicContact CG1-SD 4.15Å; V459-M485 HydrophobicContact CG2-CE 4.4Å; V459-M485 HydrophobicContact CG2-SD 4.14Å; V459-L492 HydrophobicContact CG2-CD2 4.05Å; V459-L496 HydrophobicContact CG1-CD2 3.59Å; V459-L496 HydrophobicContact CG1-CG 4.34Å
460	L	95.6	Very high	92.7	Very high	70 Å²	70	45.7 Å²	45.7	37%	0.366	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-31.2	-179.9	-64.3	176.2	0	0	0	112.8	Y456 E457 V463 S464 T495	Y456-L460 WeakPolarHBondContact O-CG 3.46Å; Y456-L460 PolarHBondContact O-N 2.93Å; E457-L460 PolarHBondContact O-N 3.24Å; L460-V463 PolarHBondContact O-N 3Å; L460-S464 PolarHBondContact O-N 2.89Å; L460-S464 PolarHBondContact O-OG 3.45Å; L460-T495 HydrophobicContact CD2-CG2 4.17Å
461	S	93.4	Very high	92.6	Very high	17 Å²	17	46.6 Å²	46.6	12%	0.119	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-43.6	172.2	-172.5	0	0	0	0	111.2	E457 V459 S464 Y465	E457-S461 VanDerWaalsContact O-CB 3.25Å; E457-S461 WeakPolarHBondContact O-CB 3.28Å; E457-S461 PolarHBondContact O-N 2.8Å; V459-S461 VanDerWaalsContact C-N 3.31Å; V459-S461 PolarHBondContact O-N 3.2Å; S461-S464 WeakPolarHBondContact O-CB 3.36Å; S461-S464 PolarHBondContact O-N 2.9Å; S461-Y465 WeakPolarHBondContact O-CB 3.45Å; S461-Y465 PolarHBondContact O-N 2.7Å
462	L	95.4	Very high	92.5	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-39.5	174	-71.9	175.7	0	0	0	112.9	F404 L407 L435 N458 V459 S464 Y465 Y466 L478 V481 F482 M485	F404-L462 HydrophobicContact CD1-CD1 4.21Å; F404-L462 HydrophobicContact CE1-CD1 3.74Å; L407-L462 HydrophobicContact CB-CD2 4.22Å; L407-L462 HydrophobicContact CD1-CD2 3.78Å; L435-L462 HydrophobicContact CD2-CD1 3.94Å; N458-L462 PolarHBondContact O-N 3.36Å; V459-L462 WeakPolarHBondContact O-CB 3.24Å; V459-L462 PolarHBondContact O-N 3.31Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 2.89Å; L462-Y465 WeakPolarHBondContact O-CB 3.42Å; L462-Y465 PolarHBondContact O-N 3.5Å; L462-Y466 PolarHBondContact O-N 2.98Å; L462-L478 HydrophobicContact CD2-CD2 4.08Å; L462-V481 HydrophobicContact CD1-CG1 4.21Å; L462-F482 HydrophobicContact CB-CE1 3.97Å; L462-F482 HydrophobicContact CB-CZ 4.24Å; L462-M485 HydrophobicContact CD1-CE 3.64Å
463	V	96.3	Very high	92.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-45.3	173.2	171.1	0	0	0	0	110.7	V459 L460 Y465 Y466 Q467 F482 L496 I500 L501	V459-V463 WeakPolarHBondContact O-CG2 3.34Å; V459-V463 PolarHBondContact O-N 3.45Å; L460-V463 PolarHBondContact O-N 3Å; V463-Y465 VanDerWaalsContact C-N 3.29Å; V463-Y465 PolarHBondContact O-N 3.43Å; V463-Y466 WeakPolarHBondContact O-CB 3.41Å; V463-Y466 PolarHBondContact O-N 2.83Å; V463-Q467 PolarHBondContact O-N 3.13Å; V463-F482 HydrophobicContact CG2-CE1 3.93Å; V463-F482 HydrophobicContact CG2-CZ 4.05Å; V463-L496 HydrophobicContact CG2-CD2 3.79Å; V463-I500 HydrophobicContact CG1-CG2 3.7Å; V463-L501 HydrophobicContact CG1-CB 3.83Å; V463-L501 HydrophobicContact CG2-CB 4.16Å; V463-L501 HydrophobicContact CG2-CD2 4.28Å
464	S	92.7	Very high	92.8	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-37.1	176.2	-59.7	0	0	0	0	112.1	R411 L460 S461 L462 Q467 M468	R411-S464 PolarHBondContact NH2-OG 2.91Å; L460-S464 PolarHBondContact O-N 2.89Å; L460-S464 PolarHBondContact O-OG 3.45Å; S461-S464 WeakPolarHBondContact O-CB 3.36Å; S461-S464 PolarHBondContact O-N 2.9Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 2.89Å; S464-Q467 WeakPolarHBondContact O-CB 3.4Å; S464-Q467 PolarHBondContact O-N 3.47Å; S464-M468 PolarHBondContact O-N 3.33Å
465	Y	92.6	Very high	93	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-42.8	176.2	-178.3	-121.3	0	0	0	111.8	R411 I428 S461 L462 V463 Q467 M468 E469 L478	R411-Y465 HydrophobicContact CB-CD2 4.01Å; R411-Y465 HydrophobicContact CB-CG 4.43Å; I428-Y465 HydrophobicContact CG2-CE1 4.15Å; I428-Y465 WeakPolarHBondContact CG2-OH 3.38Å; S461-Y465 WeakPolarHBondContact O-CB 3.45Å; S461-Y465 PolarHBondContact O-N 2.7Å; L462-Y465 WeakPolarHBondContact O-CB 3.42Å; L462-Y465 PolarHBondContact O-N 3.5Å; V463-Y465 VanDerWaalsContact C-N 3.29Å; V463-Y465 PolarHBondContact O-N 3.43Å; Y465-Q467 VanDerWaalsContact C-N 3.25Å; Y465-Q467 PolarHBondContact O-N 3.24Å; Y465-M468 PolarHBondContact O-N 3.28Å; Y465-E469 WeakPolarHBondContact O-CB 3.37Å; Y465-E469 PolarHBondContact O-N 2.86Å; Y465-E469 PolarHBondContact OH-OE2 3.27Å; Y465-L478 HydrophobicContact CD1-CD1 3.83Å; Y465-L478 HydrophobicContact CD1-CD2 4.11Å; Y465-L478 HydrophobicContact CE1-CD1 4Å
466	Y	94.3	Very high	93.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-55.8	-40.1	174.3	-175.5	-93.9	0	0	0	112.5	L462 V463 M468 E469 R475 L478 L479 F482 L501 E504 L505	L462-Y466 PolarHBondContact O-N 2.98Å; V463-Y466 WeakPolarHBondContact O-CB 3.41Å; V463-Y466 PolarHBondContact O-N 2.83Å; Y466-M468 VanDerWaalsContact C-N 3.28Å; Y466-M468 PolarHBondContact O-N 3.04Å; Y466-E469 PolarHBondContact O-N 3.34Å; Y466-R475 HydrophobicContact CD2-CB 4.44Å; Y466-R475 HydrophobicContact CD2-CG 4.17Å; Y466-R475 HydrophobicContact CE2-CB 3.75Å; Y466-R475 HydrophobicContact CE2-CG 3.74Å; Y466-R475 PolarHBondContact O-NH2 2.8Å; Y466-L478 HydrophobicContact CD2-CB 3.72Å; Y466-L478 HydrophobicContact CD2-CD1 3.84Å; Y466-L478 HydrophobicContact CD2-CG 4.42Å; Y466-L478 HydrophobicContact CE2-CB 4.36Å; Y466-L478 HydrophobicContact CG-CD1 4.48Å; Y466-L479 HydrophobicContact CE2-CD1 4.5Å; Y466-L479 HydrophobicContact CE2-CD2 4.06Å; Y466-L479 HydrophobicContact CE2-CG 3.91Å; Y466-F482 HydrophobicContact CD2-CE2 4.01Å; Y466-F482 HydrophobicContact CG-CE2 4.02Å; Y466-L501 HydrophobicContact CD1-CD1 3.99Å; Y466-L501 HydrophobicContact CE1-CD1 4.4Å; Y466-L501 HydrophobicContact CG-CD1 4.46Å; Y466-E504 HydrophobicContact CD1-CG 3.85Å; Y466-E504 HydrophobicContact CE1-CG 3.86Å; Y466-L505 HydrophobicContact CE1-CD2 3.79Å
467	Q	91.9	Very high	93.3	Very high	69 Å²	69	34.3 Å²	34.3	32%	0.322	18%	0.176	S	C	.	.	H	α-helix	trans	-61.8	-34.1	177.7	-170	179.2	27.8	0	0	113	V463 S464 Y465	V463-Q467 PolarHBondContact O-N 3.13Å; S464-Q467 WeakPolarHBondContact O-CB 3.4Å; S464-Q467 PolarHBondContact O-N 3.47Å; Y465-Q467 VanDerWaalsContact C-N 3.25Å; Y465-Q467 PolarHBondContact O-N 3.24Å
468	M	88.6	Confident	93.5	Very high	71 Å²	71	29.2 Å²	29.2	35%	0.35	15%	0.153	S	C	.	.	H	α-helix	trans	-92.6	-24.6	-176.7	-64.8	167.2	-170.8	0	0	112.9	R411 Q415 S464 Y465 Y466 H470	R411-M468 HydrophobicContact CG-SD 4.23Å; Q415-M468 HydrophobicContact CG-CE 3.99Å; Q415-M468 HydrophobicContact CG-SD 3.69Å; S464-M468 PolarHBondContact O-N 3.33Å; Y465-M468 PolarHBondContact O-N 3.28Å; Y466-M468 VanDerWaalsContact C-N 3.28Å; Y466-M468 PolarHBondContact O-N 3.04Å; M468-H470 PolarHBondContact O-ND1 3.26Å
469	E	89.6	Confident	93.7	Very high	4 Å²	4	28 Å²	28	2%	0.019	15%	0.146	C	C	.	.			trans	-72.7	134.7	179.6	-173.4	52.5	-104.2	0	0	110.6	Y465 Y466 R471 L474 R475	Y465-E469 WeakPolarHBondContact O-CB 3.37Å; Y465-E469 PolarHBondContact O-N 2.86Å; Y465-E469 PolarHBondContact OH-OE2 3.27Å; Y466-E469 PolarHBondContact O-N 3.34Å; E469-R471 VanDerWaalsContact OE1-CB 3.27Å; E469-R471 WeakPolarHBondContact OE1-CB 3.43Å; E469-R471 WeakPolarHBondContact OE1-CG 3.38Å; E469-R471 IonicContact OE1-CZ 3.52Å; E469-R471 PolarHBondContact OE1-N 3.03Å; E469-R471 IonicContact OE1-NE 3.97Å; E469-R471 PolarHBondContact OE1-NE 3.13Å; E469-R471 IonicContact OE1-NH2 2.7Å; E469-R471 IonicContact OE2-CZ 3.92Å; E469-R471 IonicContact OE2-NE 3.93Å; E469-R471 PolarHBondContact OE2-NE 3.41Å; E469-R471 IonicContact OE2-NH2 2.67Å; E469-R471 PolarHBondContact OE2-NH2 3.37Å; E469-L474 HydrophobicContact CG-CB 3.86Å; E469-L474 HydrophobicContact CG-CD1 4.38Å; E469-L474 WeakPolarHBondContact OE2-CD1 3.5Å; E469-R475 HydrophobicContact CG-CG 4.36Å; E469-R475 PolarHBondContact O-NE 3.44Å; E469-R475 PolarHBondContact O-NH2 3.07Å
470	H	87.3	Confident	93.9	Very high	117 Å²	117	31.2 Å²	31.2	54%	0.542	16%	0.16	S	C	.	.			trans	-119.2	-13.6	-177.5	44.9	-81.7	0	0	0	112	M468 V472	M468-H470 PolarHBondContact O-ND1 3.26Å; H470-V472 PolarHBondContact O-N 3.04Å
471	R	89.9	Confident	94	Very high	36 Å²	36	27.9 Å²	27.9	14%	0.136	14%	0.143	C	C	.	.			trans	-77	115.4	178	-63.2	169.7	-71	-179.6	1.7	109.5	L421 D424 E469 S473 L474 R475	L421-R471 PolarHBondContact O-NH1 3.2Å; D424-R471 IonicContact OD1-CZ 3.81Å; D424-R471 IonicContact OD1-NH1 3.83Å; D424-R471 PolarHBondContact OD1-NH1 2.99Å; D424-R471 IonicContact OD1-NH2 3.38Å; E469-R471 VanDerWaalsContact OE1-CB 3.27Å; E469-R471 WeakPolarHBondContact OE1-CB 3.43Å; E469-R471 WeakPolarHBondContact OE1-CG 3.38Å; E469-R471 IonicContact OE1-CZ 3.52Å; E469-R471 PolarHBondContact OE1-N 3.03Å; E469-R471 IonicContact OE1-NE 3.97Å; E469-R471 PolarHBondContact OE1-NE 3.13Å; E469-R471 IonicContact OE1-NH2 2.7Å; E469-R471 IonicContact OE2-CZ 3.92Å; E469-R471 IonicContact OE2-NE 3.93Å; E469-R471 PolarHBondContact OE2-NE 3.41Å; E469-R471 IonicContact OE2-NH2 2.67Å; E469-R471 PolarHBondContact OE2-NH2 3.37Å; R471-S473 VanDerWaalsContact C-N 3.27Å; R471-S473 PolarHBondContact O-N 2.65Å; R471-L474 HydrophobicContact CB-CD1 4.4Å; R471-L474 HydrophobicContact CB-CG 4.39Å; R471-L474 PolarHBondContact O-N 2.94Å; R471-L474 VanDerWaalsContact O-N 3.11Å; R471-R475 PolarHBondContact O-N 2.98Å
472	V	92.3	Very high	94.2	Very high	46 Å²	46	27 Å²	27	28%	0.279	14%	0.137	S	C	.	.	H	α-helix	trans	-52.1	-42.6	-178	172.1	0	0	0	0	112.7	H470 L474 R475 L476 E515 K518	H470-V472 PolarHBondContact O-N 3.04Å; V472-L474 VanDerWaalsContact C-N 3.33Å; V472-L474 PolarHBondContact O-N 2.75Å; V472-R475 PolarHBondContact O-N 2.74Å; V472-L476 HydrophobicContact CG1-CD1 4.04Å; V472-L476 HydrophobicContact CG1-CG 4.37Å; V472-L476 WeakPolarHBondContact O-CB 3.48Å; V472-L476 WeakPolarHBondContact O-CG 3.32Å; V472-L476 PolarHBondContact O-N 3.49Å; V472-E515 HydrophobicContact CG1-CG 3.76Å; V472-K518 HydrophobicContact CG1-CB 4.42Å; V472-K518 HydrophobicContact CG1-CD 4.37Å
473	S	94.1	Very high	94.3	Very high	59 Å²	59	27.4 Å²	27.4	41%	0.413	14%	0.142	S	C	.	.	H	α-helix	trans	-62.5	-38	-178.7	50.1	0	0	0	0	113.1	H425 R471 L477	H425-S473 PolarHBondContact NE2-OG 3.12Å; R471-S473 VanDerWaalsContact C-N 3.27Å; R471-S473 PolarHBondContact O-N 2.65Å; S473-L477 PolarHBondContact O-N 3.29Å
474	L	93.8	Very high	94.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-76.8	-38	176.3	-60.6	-177.7	0	0	0	111.6	I428 A429 L432 E469 R471 V472 L476 L477 L478	I428-L474 HydrophobicContact CB-CD1 4.29Å; I428-L474 HydrophobicContact CB-CD2 4.42Å; I428-L474 HydrophobicContact CG2-CD1 3.99Å; I428-L474 HydrophobicContact CG2-CD2 4.14Å; A429-L474 HydrophobicContact CB-CD2 3.86Å; L432-L474 HydrophobicContact CD1-CB 4.38Å; L432-L474 HydrophobicContact CD1-CD2 4.24Å; E469-L474 HydrophobicContact CG-CB 3.86Å; E469-L474 HydrophobicContact CG-CD1 4.38Å; E469-L474 WeakPolarHBondContact OE2-CD1 3.5Å; R471-L474 HydrophobicContact CB-CD1 4.4Å; R471-L474 HydrophobicContact CB-CG 4.39Å; R471-L474 PolarHBondContact O-N 2.94Å; R471-L474 VanDerWaalsContact O-N 3.11Å; V472-L474 VanDerWaalsContact C-N 3.33Å; V472-L474 PolarHBondContact O-N 2.75Å; L474-L476 VanDerWaalsContact C-N 3.3Å; L474-L476 PolarHBondContact O-N 3.18Å; L474-L477 HydrophobicContact CD2-CD1 4.37Å; L474-L477 PolarHBondContact O-N 2.89Å; L474-L478 WeakPolarHBondContact O-CG 3.4Å; L474-L478 PolarHBondContact O-N 3.23Å
475	R	95.1	Very high	94.6	Very high	26 Å²	26	26.6 Å²	26.6	10%	0.098	14%	0.137	C	C	.	.	H	α-helix	trans	-57.4	-43.5	171	-78.3	-165.6	171.1	-154.8	-11.2	111.6	Y466 E469 R471 V472 L477 L478 L479 E504 D508	Y466-R475 HydrophobicContact CD2-CB 4.44Å; Y466-R475 HydrophobicContact CD2-CG 4.17Å; Y466-R475 HydrophobicContact CE2-CB 3.75Å; Y466-R475 HydrophobicContact CE2-CG 3.74Å; Y466-R475 PolarHBondContact O-NH2 2.8Å; E469-R475 HydrophobicContact CG-CG 4.36Å; E469-R475 PolarHBondContact O-NE 3.44Å; E469-R475 PolarHBondContact O-NH2 3.07Å; R471-R475 PolarHBondContact O-N 2.98Å; V472-R475 PolarHBondContact O-N 2.74Å; R475-L477 PolarHBondContact O-N 3.31Å; R475-L478 PolarHBondContact O-N 3.45Å; R475-L479 VanDerWaalsContact O-CG 3.26Å; R475-L479 WeakPolarHBondContact O-CG 3.36Å; R475-L479 PolarHBondContact O-N 3.22Å; R475-E504 IonicContact NH1-OE1 2.73Å; R475-E504 IonicContact NH2-OE1 3.95Å; R475-E504 PolarHBondContact NH2-OE1 3.33Å; R475-D508 IonicContact NH1-OD1 3.86Å; R475-D508 PolarHBondContact NH1-OD1 3.28Å
476	L	96.7	Very high	94.8	Very high	18 Å²	18	26.5 Å²	26.5	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-42.3	175.4	-79.8	171.9	0	0	0	112.6	V472 L474 L479 K480 Q517 K518 Y521	V472-L476 HydrophobicContact CG1-CD1 4.04Å; V472-L476 HydrophobicContact CG1-CG 4.37Å; V472-L476 WeakPolarHBondContact O-CB 3.48Å; V472-L476 WeakPolarHBondContact O-CG 3.32Å; V472-L476 PolarHBondContact O-N 3.49Å; L474-L476 VanDerWaalsContact C-N 3.3Å; L474-L476 PolarHBondContact O-N 3.18Å; L476-L479 PolarHBondContact O-N 2.91Å; L476-K480 WeakPolarHBondContact O-CG 3.5Å; L476-K480 PolarHBondContact O-N 3.46Å; L476-K480 VanDerWaalsContact O-N 3.13Å; L476-Q517 HydrophobicContact CD1-CG 4.41Å; L476-Q517 HydrophobicContact CD2-CG 4.17Å; L476-K518 HydrophobicContact CD2-CB 4.19Å; L476-Y521 HydrophobicContact CD2-CD2 3.73Å; L476-Y521 HydrophobicContact CD2-CG 4.22Å
477	L	97.6	Very high	94.8	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.099	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-43	175.2	-72.4	171.8	0	0	0	111.7	A429 L432 E433 S473 L474 R475 L479 K480 V481	A429-L477 HydrophobicContact CB-CD1 4.05Å; L432-L477 HydrophobicContact CB-CB 3.88Å; L432-L477 HydrophobicContact CB-CD1 4.11Å; L432-L477 HydrophobicContact CD1-CB 3.91Å; L432-L477 HydrophobicContact CD1-CD1 4.45Å; E433-L477 HydrophobicContact CG-CD1 4.09Å; E433-L477 HydrophobicContact CG-CD2 3.81Å; S473-L477 PolarHBondContact O-N 3.29Å; L474-L477 HydrophobicContact CD2-CD1 4.37Å; L474-L477 PolarHBondContact O-N 2.89Å; R475-L477 PolarHBondContact O-N 3.31Å; L477-L479 PolarHBondContact O-N 3.13Å; L477-K480 WeakPolarHBondContact O-CB 3.48Å; L477-K480 PolarHBondContact O-N 3.22Å; L477-V481 WeakPolarHBondContact O-CG2 3.24Å; L477-V481 PolarHBondContact O-N 3.19Å
478	L	97.6	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.8	-41.8	175.3	-74.3	165.5	0	0	0	112.2	L432 L462 Y465 Y466 L474 R475 K480 V481 F482	L432-L478 HydrophobicContact CD1-CD2 4.24Å; L432-L478 HydrophobicContact CD1-CG 3.94Å; L432-L478 HydrophobicContact CD2-CD2 3.59Å; L432-L478 HydrophobicContact CD2-CG 4.19Å; L462-L478 HydrophobicContact CD2-CD2 4.08Å; Y465-L478 HydrophobicContact CD1-CD1 3.83Å; Y465-L478 HydrophobicContact CD1-CD2 4.11Å; Y465-L478 HydrophobicContact CE1-CD1 4Å; Y466-L478 HydrophobicContact CD2-CB 3.72Å; Y466-L478 HydrophobicContact CD2-CD1 3.84Å; Y466-L478 HydrophobicContact CD2-CG 4.42Å; Y466-L478 HydrophobicContact CE2-CB 4.36Å; Y466-L478 HydrophobicContact CG-CD1 4.48Å; L474-L478 WeakPolarHBondContact O-CG 3.4Å; L474-L478 PolarHBondContact O-N 3.23Å; R475-L478 PolarHBondContact O-N 3.45Å; L478-K480 VanDerWaalsContact C-N 3.33Å; L478-K480 PolarHBondContact O-N 3.29Å; L478-V481 WeakPolarHBondContact O-CB 3.45Å; L478-V481 PolarHBondContact O-N 2.9Å; L478-F482 HydrophobicContact CB-CE2 4.22Å; L478-F482 WeakPolarHBondContact O-CD2 3.3Å; L478-F482 WeakPolarHBondContact O-CG 3.49Å; L478-F482 PolarHBondContact O-N 3.26Å
479	L	98.3	Very high	95	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.9	-43.3	174.9	-71.7	167.5	0	0	0	111.5	Y466 R475 L476 L477 V481 F482 G483 L505 K518 T522 V525	Y466-L479 HydrophobicContact CE2-CD1 4.5Å; Y466-L479 HydrophobicContact CE2-CD2 4.06Å; Y466-L479 HydrophobicContact CE2-CG 3.91Å; R475-L479 VanDerWaalsContact O-CG 3.26Å; R475-L479 WeakPolarHBondContact O-CG 3.36Å; R475-L479 PolarHBondContact O-N 3.22Å; L476-L479 PolarHBondContact O-N 2.91Å; L477-L479 PolarHBondContact O-N 3.13Å; L479-V481 VanDerWaalsContact C-N 3.35Å; L479-F482 PolarHBondContact O-N 3.34Å; L479-G483 PolarHBondContact O-N 3.08Å; L479-L505 HydrophobicContact CD2-CD2 3.51Å; L479-K518 HydrophobicContact CD1-CG 4.38Å; L479-T522 WeakPolarHBondContact CD1-OG1 3.3Å; L479-V525 HydrophobicContact CB-CG2 4.08Å; L479-V525 HydrophobicContact CD2-CB 4.17Å; L479-V525 HydrophobicContact CD2-CG1 4.45Å; L479-V525 HydrophobicContact CD2-CG2 4Å; L479-V525 VanDerWaalsContact O-CG2 3.22Å; L479-V525 WeakPolarHBondContact O-CG2 3.44Å
480	K	98.2	Very high	95.3	Very high	68 Å²	68	25.7 Å²	25.7	30%	0.296	14%	0.142	S	C	.	.	H	α-helix	trans	-63.3	-41.2	174.6	-68.9	172	-179.4	-178.7	0	111.9	L436 L476 L477 L478 G483 A484 Y521	L436-K480 HydrophobicContact CD1-CB 3.99Å; L436-K480 HydrophobicContact CD2-CB 3.72Å; L436-K480 HydrophobicContact CD2-CD 3.98Å; L436-K480 HydrophobicContact CD2-CG 4.46Å; L476-K480 WeakPolarHBondContact O-CG 3.5Å; L476-K480 PolarHBondContact O-N 3.46Å; L476-K480 VanDerWaalsContact O-N 3.13Å; L477-K480 WeakPolarHBondContact O-CB 3.48Å; L477-K480 PolarHBondContact O-N 3.22Å; L478-K480 VanDerWaalsContact C-N 3.33Å; L478-K480 PolarHBondContact O-N 3.29Å; K480-G483 PolarHBondContact O-N 3.47Å; K480-A484 PolarHBondContact O-N 2.91Å; K480-Y521 WeakPolarHBondContact CE-OH 3.23Å; K480-Y521 HydrophobicContact CG-CD1 4.2Å; K480-Y521 HydrophobicContact CG-CE1 3.81Å
481	V	98.4	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.9	-46.3	174.9	166.5	0	0	0	0	110.8	L435 L436 L439 L462 L477 L478 L479 G483 A484 M485	L435-V481 HydrophobicContact CB-CG2 4.48Å; L435-V481 HydrophobicContact CD2-CG1 3.67Å; L435-V481 HydrophobicContact CD2-CG2 4.14Å; L435-V481 HydrophobicContact CG-CG1 4.12Å; L435-V481 HydrophobicContact CG-CG2 4.21Å; L436-V481 HydrophobicContact CB-CG2 4.01Å; L439-V481 HydrophobicContact CD1-CG1 3.86Å; L462-V481 HydrophobicContact CD1-CG1 4.21Å; L477-V481 WeakPolarHBondContact O-CG2 3.24Å; L477-V481 PolarHBondContact O-N 3.19Å; L478-V481 WeakPolarHBondContact O-CB 3.45Å; L478-V481 PolarHBondContact O-N 2.9Å; L479-V481 VanDerWaalsContact C-N 3.35Å; V481-G483 VanDerWaalsContact C-N 3.35Å; V481-G483 PolarHBondContact O-N 3.19Å; V481-A484 WeakPolarHBondContact O-CB 3.41Å; V481-A484 PolarHBondContact O-N 2.88Å; V481-M485 HydrophobicContact CG1-CE 3.83Å; V481-M485 HydrophobicContact CG1-SD 4.34Å; V481-M485 WeakPolarHBondContact O-CG 3.35Å; V481-M485 PolarHBondContact O-N 3.26Å
482	F	98.4	Very high	95.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.2	-41.4	175.5	-64.2	-44.3	0	0	0	111.9	L462 V463 Y466 L478 L479 A484 M485 C486 L496 L501 V525	L462-F482 HydrophobicContact CB-CE1 3.97Å; L462-F482 HydrophobicContact CB-CZ 4.24Å; V463-F482 HydrophobicContact CG2-CE1 3.93Å; V463-F482 HydrophobicContact CG2-CZ 4.05Å; Y466-F482 HydrophobicContact CD2-CE2 4.01Å; Y466-F482 HydrophobicContact CG-CE2 4.02Å; L478-F482 HydrophobicContact CB-CE2 4.22Å; L478-F482 WeakPolarHBondContact O-CD2 3.3Å; L478-F482 WeakPolarHBondContact O-CG 3.49Å; L478-F482 PolarHBondContact O-N 3.26Å; L479-F482 PolarHBondContact O-N 3.34Å; F482-A484 VanDerWaalsContact C-N 3.35Å; F482-A484 PolarHBondContact O-N 3.46Å; F482-M485 HydrophobicContact CD1-SD 4.29Å; F482-M485 WeakPolarHBondContact O-CB 3.28Å; F482-M485 PolarHBondContact O-N 2.83Å; F482-C486 PolarHBondContact O-N 3.04Å; F482-C486 PolarHBondContact O-SG 3.12Å; F482-L496 HydrophobicContact CD1-CD2 4.11Å; F482-L496 HydrophobicContact CE1-CD2 4.4Å; F482-L501 HydrophobicContact CD1-CD2 4.34Å; F482-L501 HydrophobicContact CD2-CD1 4.21Å; F482-L501 HydrophobicContact CD2-CD2 3.91Å; F482-L501 HydrophobicContact CE2-CD1 3.85Å; F482-L501 HydrophobicContact CE2-CD2 4.13Å; F482-L501 HydrophobicContact CG-CD2 4.04Å; F482-L501 HydrophobicContact CZ-CD1 4.42Å; F482-L501 HydrophobicContact CZ-CD2 4.45Å; F482-V525 HydrophobicContact CB-CG1 4.03Å
483	G	97.5	Very high	96.2	Very high	12 Å²	12	19.1 Å²	19.1	12%	0.124	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-42.8	173.5	0	0	0	0	0	112.9	L479 K480 V481 C486 S487	L479-G483 PolarHBondContact O-N 3.08Å; K480-G483 PolarHBondContact O-N 3.47Å; V481-G483 VanDerWaalsContact C-N 3.35Å; V481-G483 PolarHBondContact O-N 3.19Å; G483-C486 WeakPolarHBondContact O-CB 3.3Å; G483-C486 PolarHBondContact O-N 3.45Å; G483-S487 PolarHBondContact O-N 2.69Å
484	A	97.2	Very high	96.3	Very high	11 Å²	11	17.3 Å²	17.3	9%	0.091	10%	0.102	C	C	.	.	H	α-helix	trans	-62.2	-42.3	173.8	0	0	0	0	0	111.4	L436 L439 K480 V481 F482 C486 S487	L436-A484 HydrophobicContact CD1-CB 3.9Å; L439-A484 HydrophobicContact CB-CB 3.98Å; L439-A484 HydrophobicContact CD1-CB 4.42Å; K480-A484 PolarHBondContact O-N 2.91Å; V481-A484 WeakPolarHBondContact O-CB 3.41Å; V481-A484 PolarHBondContact O-N 2.88Å; F482-A484 VanDerWaalsContact C-N 3.35Å; F482-A484 PolarHBondContact O-N 3.46Å; A484-C486 PolarHBondContact O-N 2.86Å; A484-S487 WeakPolarHBondContact O-CB 3.38Å; A484-S487 PolarHBondContact O-N 2.59Å; A484-S487 VanDerWaalsContact O-N 3.12Å; A484-S487 PolarHBondContact O-OG 3.47Å
485	M	96.9	Very high	96.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.2	-40.9	174.7	-69.4	179.2	172.8	0	0	112.7	F404 L439 V459 L462 V481 F482 S487 L488 L492	F404-M485 HydrophobicContact CE1-CE 4Å; F404-M485 HydrophobicContact CZ-CE 4.1Å; L439-M485 HydrophobicContact CD1-CE 3.96Å; L439-M485 HydrophobicContact CD1-CG 3.95Å; V459-M485 HydrophobicContact CG1-SD 4.15Å; V459-M485 HydrophobicContact CG2-CE 4.4Å; V459-M485 HydrophobicContact CG2-SD 4.14Å; L462-M485 HydrophobicContact CD1-CE 3.64Å; V481-M485 HydrophobicContact CG1-CE 3.83Å; V481-M485 HydrophobicContact CG1-SD 4.34Å; V481-M485 WeakPolarHBondContact O-CG 3.35Å; V481-M485 PolarHBondContact O-N 3.26Å; F482-M485 HydrophobicContact CD1-SD 4.29Å; F482-M485 WeakPolarHBondContact O-CB 3.28Å; F482-M485 PolarHBondContact O-N 2.83Å; M485-S487 PolarHBondContact O-N 2.76Å; M485-L488 WeakPolarHBondContact O-CB 3.41Å; M485-L488 PolarHBondContact O-N 3.13Å; M485-L488 VanDerWaalsContact O-N 3.14Å; M485-L492 WeakPolarHBondContact O-CD1 3.17Å
486	C	96.7	Very high	96.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-31.7	175.3	-67.3	0	0	0	0	112.2	F482 G483 A484 L488 I493 M528 F621 H623	F482-C486 PolarHBondContact O-N 3.04Å; F482-C486 PolarHBondContact O-SG 3.12Å; G483-C486 WeakPolarHBondContact O-CB 3.3Å; G483-C486 PolarHBondContact O-N 3.45Å; A484-C486 PolarHBondContact O-N 2.86Å; C486-L488 VanDerWaalsContact C-N 3.29Å; C486-L488 PolarHBondContact O-N 3.3Å; C486-I493 HydrophobicContact CB-CD1 4.28Å; C486-I493 HydrophobicContact CB-CG1 3.91Å; C486-M528 HydrophobicContact CB-CB 4.22Å; C486-F621 HydrophobicContact CB-CE2 3.81Å; C486-F621 HydrophobicContact CB-CZ 3.62Å; C486-H623 PolarHBondContact O-NE2 2.96Å
487	S	94.7	Very high	96.6	Very high	63 Å²	63	16.4 Å²	16.4	44%	0.441	10%	0.1	S	C	.	.	H	α-helix	trans	-72.6	-20.1	178.3	77.7	0	0	0	0	114.2	G483 A484 M485	G483-S487 PolarHBondContact O-N 2.69Å; A484-S487 WeakPolarHBondContact O-CB 3.38Å; A484-S487 PolarHBondContact O-N 2.59Å; A484-S487 VanDerWaalsContact O-N 3.12Å; A484-S487 PolarHBondContact O-OG 3.47Å; M485-S487 PolarHBondContact O-N 2.76Å
488	L	93.1	Very high	96.6	Very high	22 Å²	22	20 Å²	20	12%	0.115	12%	0.119	C	C	.	.	H	α-helix	trans	-80	-45.2	-173.8	-68.2	174.6	0	0	0	113.4	L439 P444 C447 K448 M485 C486 L492	L439-L488 HydrophobicContact CD2-CD1 3.92Å; P444-L488 HydrophobicContact CB-CD2 4.11Å; C447-L488 HydrophobicContact CB-CD1 3.62Å; C447-L488 HydrophobicContact CB-CD2 4.1Å; K448-L488 WeakPolarHBondContact CD-O 3.27Å; K448-L488 HydrophobicContact CG-CB 4.01Å; M485-L488 WeakPolarHBondContact O-CB 3.41Å; M485-L488 PolarHBondContact O-N 3.13Å; M485-L488 VanDerWaalsContact O-N 3.14Å; C486-L488 VanDerWaalsContact C-N 3.29Å; C486-L488 PolarHBondContact O-N 3.3Å; L488-L492 HydrophobicContact CB-CD1 3.93Å; L488-L492 HydrophobicContact CD1-CD1 4.38Å
489	D	92.4	Very high	96.6	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.16	12%	0.123	C	C	.	.			trans	-158.4	143	-173.4	-162	-6.4	0	0	0	112.5	K448 K452 V491 L492 I493	K448-D489 HydrophobicContact CD-CB 3.93Å; K448-D489 HydrophobicContact CG-CB 4.18Å; K452-D489 WeakPolarHBondContact CE-OD2 3.49Å; K452-D489 IonicContact NZ-OD2 3.74Å; K452-D489 PolarHBondContact NZ-OD2 2.88Å; D489-V491 VanDerWaalsContact C-N 3.26Å; D489-V491 PolarHBondContact O-N 3.35Å; D489-V491 PolarHBondContact OD1-N 3.27Å; D489-L492 HydrophobicContact CB-CD1 4.1Å; D489-L492 HydrophobicContact CB-CG 4.18Å; D489-L492 WeakPolarHBondContact O-CB 3.33Å; D489-L492 PolarHBondContact O-N 2.85Å; D489-I493 PolarHBondContact O-N 3.47Å
490	A	94.3	Very high	96.5	Very high	12 Å²	12	23.8 Å²	23.8	10%	0.099	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-39.2	173.6	0	0	0	0	0	111.8	L492 I493 S494 M532 H623	A490-L492 PolarHBondContact O-N 2.88Å; A490-I493 WeakPolarHBondContact O-CA 3.38Å; A490-I493 VanDerWaalsContact O-CB 3.31Å; A490-I493 WeakPolarHBondContact O-CB 3.42Å; A490-I493 PolarHBondContact O-N 2.92Å; A490-S494 PolarHBondContact O-N 3.09Å; A490-S494 PolarHBondContact O-OG 3.36Å; A490-S494 VanDerWaalsContact O-OG 3.09Å; A490-M532 HydrophobicContact CB-CE 4.15Å; A490-H623 HydrophobicContact CB-CB 3.93Å
491	V	95.3	Very high	96.4	Very high	61 Å²	61	20.6 Å²	20.6	37%	0.37	13%	0.126	S	C	.	.	H	α-helix	trans	-65.8	-27.3	-177.7	-167.3	0	0	0	0	112	Y456 D489 S494 T495	Y456-V491 HydrophobicContact CE1-CG1 4.49Å; Y456-V491 HydrophobicContact CE2-CG1 4.48Å; Y456-V491 WeakPolarHBondContact OH-CG1 3.44Å; D489-V491 VanDerWaalsContact C-N 3.26Å; D489-V491 PolarHBondContact O-N 3.35Å; D489-V491 PolarHBondContact OD1-N 3.27Å; V491-S494 PolarHBondContact O-N 2.9Å; V491-T495 WeakPolarHBondContact O-CB 3.06Å; V491-T495 PolarHBondContact O-N 3.43Å; V491-T495 PolarHBondContact O-OG1 3.38Å
492	L	96.3	Very high	96.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.7	-39.6	173.1	-68.3	170.5	0	0	0	110.9	C451 Y456 V459 M485 L488 D489 A490 T495 L496	C451-L492 HydrophobicContact CB-CD1 4.1Å; C451-L492 HydrophobicContact CB-CD2 3.68Å; Y456-L492 HydrophobicContact CD1-CD2 3.63Å; Y456-L492 HydrophobicContact CE1-CD2 3.67Å; V459-L492 HydrophobicContact CG2-CD2 4.05Å; M485-L492 WeakPolarHBondContact O-CD1 3.17Å; L488-L492 HydrophobicContact CB-CD1 3.93Å; L488-L492 HydrophobicContact CD1-CD1 4.38Å; D489-L492 HydrophobicContact CB-CD1 4.1Å; D489-L492 HydrophobicContact CB-CG 4.18Å; D489-L492 WeakPolarHBondContact O-CB 3.33Å; D489-L492 PolarHBondContact O-N 2.85Å; A490-L492 PolarHBondContact O-N 2.88Å; L492-T495 WeakPolarHBondContact O-CB 3.27Å; L492-T495 PolarHBondContact O-N 2.91Å; L492-L496 VanDerWaalsContact O-CG 3.3Å; L492-L496 WeakPolarHBondContact O-CG 3.17Å; L492-L496 PolarHBondContact O-N 2.64Å
493	I	96.9	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-49.3	171.3	-62	175.4	0	0	0	110.1	C486 D489 A490 T495 L496 L497 I529 M532 F621 H623	C486-I493 HydrophobicContact CB-CD1 4.28Å; C486-I493 HydrophobicContact CB-CG1 3.91Å; D489-I493 PolarHBondContact O-N 3.47Å; A490-I493 WeakPolarHBondContact O-CA 3.38Å; A490-I493 VanDerWaalsContact O-CB 3.31Å; A490-I493 WeakPolarHBondContact O-CB 3.42Å; A490-I493 PolarHBondContact O-N 2.92Å; I493-T495 VanDerWaalsContact C-N 3.27Å; I493-T495 PolarHBondContact O-N 3.19Å; I493-L496 PolarHBondContact O-N 3.09Å; I493-L497 WeakPolarHBondContact O-CB 3.27Å; I493-L497 PolarHBondContact O-N 3.38Å; I493-I529 VanDerWaalsContact CG2-O 3.24Å; I493-I529 WeakPolarHBondContact CG2-O 3.49Å; I493-M532 HydrophobicContact CB-CG 4.19Å; I493-M532 HydrophobicContact CD1-CG 3.83Å; I493-M532 HydrophobicContact CD1-SD 4.23Å; I493-M532 HydrophobicContact CG2-CB 4.41Å; I493-M532 HydrophobicContact CG2-CG 3.77Å; I493-F621 HydrophobicContact CD1-CD2 3.78Å; I493-F621 HydrophobicContact CD1-CE2 3.97Å; I493-H623 VanDerWaalsContact CD1-CD2 3.49Å; I493-H623 WeakPolarHBondContact CD1-CD2 3.26Å
494	S	96.6	Very high	96.2	Very high	22 Å²	22	21 Å²	21	15%	0.154	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-40.3	176.8	-38.3	0	0	0	0	111.6	A490 V491 L497 N498 E534	A490-S494 PolarHBondContact O-N 3.09Å; A490-S494 PolarHBondContact O-OG 3.36Å; A490-S494 VanDerWaalsContact O-OG 3.09Å; V491-S494 PolarHBondContact O-N 2.9Å; S494-L497 PolarHBondContact O-N 3.29Å; S494-N498 WeakPolarHBondContact O-CB 3.39Å; S494-N498 PolarHBondContact O-N 3.49Å; S494-N498 PolarHBondContact O-ND2 3.24Å; S494-E534 WeakPolarHBondContact CA-OE2 3.34Å; S494-E534 WeakPolarHBondContact CB-OE2 3.37Å; S494-E534 VanDerWaalsContact OG-CD 3.27Å; S494-E534 PolarHBondContact OG-OE1 3.46Å; S494-E534 PolarHBondContact OG-OE2 3.28Å; S494-E534 VanDerWaalsContact OG-OE2 3.1Å
495	T	97.4	Very high	96.3	Very high	22 Å²	22	20.4 Å²	20.4	14%	0.135	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-44.8	177.3	-58.7	0	0	0	0	111.6	Y456 L460 V491 L492 I493 N498 S499	Y456-T495 HydrophobicContact CD1-CG2 4.3Å; Y456-T495 HydrophobicContact CD2-CG2 4.32Å; Y456-T495 HydrophobicContact CG-CG2 3.88Å; L460-T495 HydrophobicContact CD2-CG2 4.17Å; V491-T495 WeakPolarHBondContact O-CB 3.06Å; V491-T495 PolarHBondContact O-N 3.43Å; V491-T495 PolarHBondContact O-OG1 3.38Å; L492-T495 WeakPolarHBondContact O-CB 3.27Å; L492-T495 PolarHBondContact O-N 2.91Å; I493-T495 VanDerWaalsContact C-N 3.27Å; I493-T495 PolarHBondContact O-N 3.19Å; T495-N498 PolarHBondContact O-N 3.36Å; T495-S499 PolarHBondContact O-N 2.64Å
496	L	98.1	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-41.5	176.7	-68.5	175.2	0	0	0	111.5	V459 V463 F482 L492 I493 N498 S499 L501 P502 I529	V459-L496 HydrophobicContact CG1-CD2 3.59Å; V459-L496 HydrophobicContact CG1-CG 4.34Å; V463-L496 HydrophobicContact CG2-CD2 3.79Å; F482-L496 HydrophobicContact CD1-CD2 4.11Å; F482-L496 HydrophobicContact CE1-CD2 4.4Å; L492-L496 VanDerWaalsContact O-CG 3.3Å; L492-L496 WeakPolarHBondContact O-CG 3.17Å; L492-L496 PolarHBondContact O-N 2.64Å; I493-L496 PolarHBondContact O-N 3.09Å; L496-N498 VanDerWaalsContact C-N 3.35Å; L496-N498 PolarHBondContact O-N 3.23Å; L496-S499 WeakPolarHBondContact O-CB 3.49Å; L496-S499 PolarHBondContact O-N 2.94Å; L496-S499 VanDerWaalsContact O-N 3.16Å; L496-S499 PolarHBondContact O-OG 3.33Å; L496-L501 HydrophobicContact CB-CD2 4.43Å; L496-L501 HydrophobicContact CD2-CD2 3.87Å; L496-P502 WeakPolarHBondContact O-CD 3.5Å; L496-I529 HydrophobicContact CB-CD1 4.31Å; L496-I529 HydrophobicContact CB-CG1 4.23Å
497	L	97.4	Very high	96.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-58.7	-45.1	175.8	177.6	63.9	0	0	0	111.9	I493 S494 S499 P502 I529 F530 E534 V536 H540	I493-L497 WeakPolarHBondContact O-CB 3.27Å; I493-L497 PolarHBondContact O-N 3.38Å; S494-L497 PolarHBondContact O-N 3.29Å; L497-S499 PolarHBondContact O-N 2.99Å; L497-P502 HydrophobicContact CD1-CG 4.42Å; L497-I529 HydrophobicContact CB-CG2 3.78Å; L497-I529 HydrophobicContact CD1-CG2 3.86Å; L497-I529 HydrophobicContact CG-CG2 4.44Å; L497-F530 HydrophobicContact CD1-CD1 3.83Å; L497-F530 HydrophobicContact CD1-CE1 3.56Å; L497-E534 HydrophobicContact CD2-CB 3.61Å; L497-V536 HydrophobicContact CD1-CG1 4.36Å; L497-V536 HydrophobicContact CD1-CG2 4.18Å; L497-H540 PolarHBondContact O-NE2 3.15Å
498	N	96.8	Very high	96.2	Very high	94 Å²	94	22.4 Å²	22.4	50%	0.503	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.1	-179.6	-74.6	-76.8	0	0	0	113.7	S494 T495 L496 P537	S494-N498 WeakPolarHBondContact O-CB 3.39Å; S494-N498 PolarHBondContact O-N 3.49Å; S494-N498 PolarHBondContact O-ND2 3.24Å; T495-N498 PolarHBondContact O-N 3.36Å; L496-N498 VanDerWaalsContact C-N 3.35Å; L496-N498 PolarHBondContact O-N 3.23Å; N498-P537 WeakPolarHBondContact OD1-CG 3.28Å
499	S	96.9	Very high	96.3	Very high	11 Å²	11	21.3 Å²	21.3	8%	0.077	11%	0.113	C	C	.	.	S	Bend	trans	-85.9	-179	175.1	82.9	0	0	0	0	112.3	T495 L496 L497 L501 P502 H540	T495-S499 PolarHBondContact O-N 2.64Å; L496-S499 WeakPolarHBondContact O-CB 3.49Å; L496-S499 PolarHBondContact O-N 2.94Å; L496-S499 VanDerWaalsContact O-N 3.16Å; L496-S499 PolarHBondContact O-OG 3.33Å; L497-S499 PolarHBondContact O-N 2.99Å; S499-L501 PolarHBondContact O-N 3.37Å; S499-L501 VanDerWaalsContact OG-CB 3.27Å; S499-L501 WeakPolarHBondContact OG-CB 3.33Å; S499-L501 PolarHBondContact OG-N 3.15Å; S499-L501 VanDerWaalsContact OG-N 3.09Å; S499-P502 WeakPolarHBondContact O-CD 3.25Å; S499-H540 PolarHBondContact O-CE1 2.88Å; S499-H540 PolarHBondContact O-NE2 3.17Å
500	I	95.9	Very high	96.3	Very high	69 Å²	69	22.8 Å²	22.8	35%	0.354	12%	0.118	S	C	.	.	S	Bend	trans	-73.4	-9.6	173	-167.9	145.2	0	0	0	113.6	V463 M503 E504	V463-I500 HydrophobicContact CG1-CG2 3.7Å; I500-M503 HydrophobicContact CB-CE 4.25Å; I500-M503 HydrophobicContact CD1-CE 4.31Å; I500-M503 HydrophobicContact CG1-CE 3.84Å; I500-M503 PolarHBondContact O-N 2.74Å; I500-E504 PolarHBondContact O-N 3.45Å; I500-E504 VanDerWaalsContact O-N 3.09Å
501	L	97.9	Very high	96.2	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-48.2	-173	-174.6	62.9	0	0	0	113.3	V463 Y466 F482 L496 S499 M503 E504 L505 I529	V463-L501 HydrophobicContact CG1-CB 3.83Å; V463-L501 HydrophobicContact CG2-CB 4.16Å; V463-L501 HydrophobicContact CG2-CD2 4.28Å; Y466-L501 HydrophobicContact CD1-CD1 3.99Å; Y466-L501 HydrophobicContact CE1-CD1 4.4Å; Y466-L501 HydrophobicContact CG-CD1 4.46Å; F482-L501 HydrophobicContact CD1-CD2 4.34Å; F482-L501 HydrophobicContact CD2-CD1 4.21Å; F482-L501 HydrophobicContact CD2-CD2 3.91Å; F482-L501 HydrophobicContact CE2-CD1 3.85Å; F482-L501 HydrophobicContact CE2-CD2 4.13Å; F482-L501 HydrophobicContact CG-CD2 4.04Å; F482-L501 HydrophobicContact CZ-CD1 4.42Å; F482-L501 HydrophobicContact CZ-CD2 4.45Å; L496-L501 HydrophobicContact CB-CD2 4.43Å; L496-L501 HydrophobicContact CD2-CD2 3.87Å; S499-L501 PolarHBondContact O-N 3.37Å; S499-L501 VanDerWaalsContact OG-CB 3.27Å; S499-L501 WeakPolarHBondContact OG-CB 3.33Å; S499-L501 PolarHBondContact OG-N 3.15Å; S499-L501 VanDerWaalsContact OG-N 3.09Å; L501-M503 VanDerWaalsContact C-N 3.28Å; L501-M503 PolarHBondContact O-N 3.44Å; L501-E504 PolarHBondContact O-N 3.07Å; L501-E504 VanDerWaalsContact O-N 3.13Å; L501-L505 HydrophobicContact CD1-CD1 4.14Å; L501-L505 HydrophobicContact CD1-CD2 4.03Å; L501-L505 HydrophobicContact CD1-CG 3.89Å; L501-L505 HydrophobicContact CD2-CD1 4.38Å; L501-L505 HydrophobicContact CG-CD1 3.83Å; L501-L505 HydrophobicContact CG-CG 4.03Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.23Å; L501-L505 PolarHBondContact O-N 3.32Å; L501-I529 HydrophobicContact CD2-CD1 3.73Å; L501-I529 HydrophobicContact CG-CD1 4.19Å
502	P	97.9	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-37.1	-177.8	-23.3	35.5	0	0	0	113.1	L496 L497 S499 A506 L526 I529 F530	L496-P502 WeakPolarHBondContact O-CD 3.5Å; L497-P502 HydrophobicContact CD1-CG 4.42Å; S499-P502 WeakPolarHBondContact O-CD 3.25Å; P502-A506 WeakPolarHBondContact O-CB 3.41Å; P502-A506 PolarHBondContact O-N 3.02Å; P502-L526 HydrophobicContact CB-CD1 3.88Å; P502-I529 HydrophobicContact CG-CG2 4.15Å; P502-F530 HydrophobicContact CB-CZ 4.19Å
503	M	96.3	Very high	95.4	Very high	14 Å²	14	28.1 Å²	28.1	7%	0.069	15%	0.148	C	C	.	.	H	α-helix	trans	-66.7	-43.6	176	-67.2	-175.8	-84.8	0	0	111.5	I500 L501 A506 R507 H539 H540 H543	I500-M503 HydrophobicContact CB-CE 4.25Å; I500-M503 HydrophobicContact CD1-CE 4.31Å; I500-M503 HydrophobicContact CG1-CE 3.84Å; I500-M503 PolarHBondContact O-N 2.74Å; L501-M503 VanDerWaalsContact C-N 3.28Å; L501-M503 PolarHBondContact O-N 3.44Å; M503-A506 PolarHBondContact O-N 3.37Å; M503-R507 WeakPolarHBondContact O-CB 3.46Å; M503-R507 PolarHBondContact O-N 3.3Å; M503-H539 VanDerWaalsContact CE-CD2 3.49Å; M503-H539 WeakPolarHBondContact CE-CD2 3.46Å; M503-H540 HydrophobicContact CG-CB 4.02Å; M503-H543 HydrophobicContact CB-CB 4.06Å; M503-H543 HydrophobicContact CG-CB 4.17Å
504	E	96	Very high	94.9	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.028	18%	0.18	C	C	.	.	H	α-helix	trans	-64.2	-43.2	177.9	-176.5	61.6	-146.2	0	0	111.5	Y466 R475 I500 L501 R507 D508	Y466-E504 HydrophobicContact CD1-CG 3.85Å; Y466-E504 HydrophobicContact CE1-CG 3.86Å; R475-E504 IonicContact NH1-OE1 2.73Å; R475-E504 IonicContact NH2-OE1 3.95Å; R475-E504 PolarHBondContact NH2-OE1 3.33Å; I500-E504 PolarHBondContact O-N 3.45Å; I500-E504 VanDerWaalsContact O-N 3.09Å; L501-E504 PolarHBondContact O-N 3.07Å; L501-E504 VanDerWaalsContact O-N 3.13Å; E504-R507 PolarHBondContact O-N 3.17Å; E504-R507 IonicContact OE1-CZ 2.73Å; E504-R507 IonicContact OE1-NE 2.98Å; E504-R507 IonicContact OE1-NH2 3.26Å; E504-R507 PolarHBondContact OE1-NH2 2.87Å; E504-R507 IonicContact OE2-CZ 2.59Å; E504-R507 IonicContact OE2-NE 2.84Å; E504-R507 IonicContact OE2-NH1 2.77Å; E504-R507 PolarHBondContact OE2-NH1 3.3Å; E504-R507 IonicContact OE2-NH2 3.13Å; E504-R507 PolarHBondContact OE2-NH2 2.87Å; E504-D508 VanDerWaalsContact O-CB 3.24Å; E504-D508 WeakPolarHBondContact O-CB 3.43Å; E504-D508 PolarHBondContact O-N 2.94Å
505	L	97.6	Very high	94.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176.4	-63.9	178	0	0	0	111.5	Y466 L479 L501 R507 D508 L509 T522 V525 L526 I529	Y466-L505 HydrophobicContact CE1-CD2 3.79Å; L479-L505 HydrophobicContact CD2-CD2 3.51Å; L501-L505 HydrophobicContact CD1-CD1 4.14Å; L501-L505 HydrophobicContact CD1-CD2 4.03Å; L501-L505 HydrophobicContact CD1-CG 3.89Å; L501-L505 HydrophobicContact CD2-CD1 4.38Å; L501-L505 HydrophobicContact CG-CD1 3.83Å; L501-L505 HydrophobicContact CG-CG 4.03Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.23Å; L501-L505 PolarHBondContact O-N 3.32Å; L505-R507 PolarHBondContact O-N 3.16Å; L505-D508 PolarHBondContact O-N 3.43Å; L505-L509 WeakPolarHBondContact O-CG 3.26Å; L505-L509 PolarHBondContact O-N 3.24Å; L505-T522 HydrophobicContact CB-CG2 3.8Å; L505-T522 HydrophobicContact CD2-CG2 3.77Å; L505-T522 HydrophobicContact CG-CG2 4.33Å; L505-T522 WeakPolarHBondContact O-CG2 3.43Å; L505-V525 HydrophobicContact CD1-CB 4.38Å; L505-V525 HydrophobicContact CD1-CG1 3.88Å; L505-L526 HydrophobicContact CB-CD1 4.22Å; L505-L526 HydrophobicContact CB-CD2 4.46Å; L505-L526 HydrophobicContact CD1-CB 4.19Å; L505-L526 HydrophobicContact CD1-CD1 4.12Å; L505-I529 HydrophobicContact CD1-CD1 3.96Å
506	A	96.8	Very high	94.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-45	177.2	0	0	0	0	0	111.9	P502 M503 L509 Q510 L544 F548	P502-A506 WeakPolarHBondContact O-CB 3.41Å; P502-A506 PolarHBondContact O-N 3.02Å; M503-A506 PolarHBondContact O-N 3.37Å; A506-L509 PolarHBondContact O-N 3.49Å; A506-Q510 WeakPolarHBondContact O-CG 3.37Å; A506-Q510 PolarHBondContact O-N 3.25Å; A506-L544 HydrophobicContact CB-CD2 3.66Å; A506-F548 HydrophobicContact CB-CD2 3.97Å; A506-F548 HydrophobicContact CB-CE2 3.8Å; A506-F548 HydrophobicContact CB-CZ 4.21Å
507	R	95.4	Very high	94.2	Very high	98 Å²	98	42.3 Å²	42.3	37%	0.37	21%	0.211	S	C	.	.	H	α-helix	trans	-62.6	-44.5	175.2	-171.3	-174.7	73.4	-163.5	4.8	111.8	M503 E504 L505 L509 Q510 T511	M503-R507 WeakPolarHBondContact O-CB 3.46Å; M503-R507 PolarHBondContact O-N 3.3Å; E504-R507 PolarHBondContact O-N 3.17Å; E504-R507 IonicContact OE1-CZ 2.73Å; E504-R507 IonicContact OE1-NE 2.98Å; E504-R507 IonicContact OE1-NH2 3.26Å; E504-R507 PolarHBondContact OE1-NH2 2.87Å; E504-R507 IonicContact OE2-CZ 2.59Å; E504-R507 IonicContact OE2-NE 2.84Å; E504-R507 IonicContact OE2-NH1 2.77Å; E504-R507 PolarHBondContact OE2-NH1 3.3Å; E504-R507 IonicContact OE2-NH2 3.13Å; E504-R507 PolarHBondContact OE2-NH2 2.87Å; L505-R507 PolarHBondContact O-N 3.16Å; R507-L509 VanDerWaalsContact C-N 3.33Å; R507-L509 PolarHBondContact O-N 3.19Å; R507-Q510 PolarHBondContact O-N 3.26Å; R507-T511 HydrophobicContact CG-CG2 4.16Å; R507-T511 WeakPolarHBondContact O-CB 3.46Å; R507-T511 WeakPolarHBondContact O-CG2 3.39Å; R507-T511 PolarHBondContact O-N 2.81Å; R507-T511 PolarHBondContact O-OG1 3.21Å
508	D	94.1	Very high	94	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-39.2	178.6	-174.2	60.6	0	0	0	112.2	R475 E504 L505 Q510 D512 K518 T522	R475-D508 IonicContact NH1-OD1 3.86Å; R475-D508 PolarHBondContact NH1-OD1 3.28Å; E504-D508 VanDerWaalsContact O-CB 3.24Å; E504-D508 WeakPolarHBondContact O-CB 3.43Å; E504-D508 PolarHBondContact O-N 2.94Å; L505-D508 PolarHBondContact O-N 3.43Å; D508-Q510 PolarHBondContact O-N 3.41Å; D508-D512 PolarHBondContact O-N 2.71Å; D508-D512 VanDerWaalsContact O-N 3.12Å; D508-K518 IonicContact OD1-NZ 2.76Å; D508-K518 PolarHBondContact OD1-NZ 3.25Å; D508-K518 IonicContact OD2-NZ 3.72Å; D508-K518 PolarHBondContact OD2-NZ 3.25Å; D508-T522 HydrophobicContact CB-CG2 4.49Å; D508-T522 PolarHBondContact OD2-OG1 2.85Å
509	L	95.1	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-37.5	174.8	-74.3	176	0	0	0	113.4	L505 A506 R507 T513 M519 T522 A523 L526 F548 F551 F572 L575	L505-L509 WeakPolarHBondContact O-CG 3.26Å; L505-L509 PolarHBondContact O-N 3.24Å; A506-L509 PolarHBondContact O-N 3.49Å; R507-L509 VanDerWaalsContact C-N 3.33Å; R507-L509 PolarHBondContact O-N 3.19Å; L509-T513 WeakPolarHBondContact O-CG2 3.31Å; L509-M519 HydrophobicContact CD2-CB 4.31Å; L509-M519 HydrophobicContact CD2-CE 4.41Å; L509-T522 HydrophobicContact CD1-CG2 4.23Å; L509-T522 HydrophobicContact CD2-CG2 3.66Å; L509-T522 HydrophobicContact CG-CG2 3.54Å; L509-A523 HydrophobicContact CD1-CB 4.34Å; L509-A523 HydrophobicContact CD2-CB 4.27Å; L509-L526 HydrophobicContact CD1-CD2 4.21Å; L509-F548 HydrophobicContact CD1-CE2 4.23Å; L509-F551 HydrophobicContact CB-CE1 4.08Å; L509-F551 VanDerWaalsContact O-CZ 3.32Å; L509-F551 WeakPolarHBondContact O-CZ 3.45Å; L509-F572 HydrophobicContact CD2-CE1 4.4Å; L509-F572 HydrophobicContact CD2-CZ 4.17Å; L509-L575 HydrophobicContact CD1-CD2 4.03Å
510	Q	93.6	Very high	93.8	Very high	60 Å²	60	38 Å²	38	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-82.2	-27.8	-178.1	-67.7	177.1	-43.8	0	0	112.8	A506 R507 D508 F548 F551	A506-Q510 WeakPolarHBondContact O-CG 3.37Å; A506-Q510 PolarHBondContact O-N 3.25Å; R507-Q510 PolarHBondContact O-N 3.26Å; D508-Q510 PolarHBondContact O-N 3.41Å; Q510-F548 HydrophobicContact CG-CD2 4.39Å; Q510-F548 VanDerWaalsContact NE2-CA 3.3Å; Q510-F551 HydrophobicContact CG-CD1 3.9Å; Q510-F551 HydrophobicContact CG-CE1 4.22Å; Q510-F551 HydrophobicContact CG-CG 4.15Å
511	T	91	Very high	93.9	Very high	100 Å²	100	37.9 Å²	37.9	61%	0.613	18%	0.183	S	C	*	.	H	α-helix	trans	-93.2	-40.1	-172.4	47.7	0	0	0	0	113.4	R507	R507-T511 HydrophobicContact CG-CG2 4.16Å; R507-T511 WeakPolarHBondContact O-CB 3.46Å; R507-T511 WeakPolarHBondContact O-CG2 3.39Å; R507-T511 PolarHBondContact O-N 2.81Å; R507-T511 PolarHBondContact O-OG1 3.21Å
512	D	85.8	Confident	93.9	Very high	52 Å²	52	37.9 Å²	37.9	28%	0.278	18%	0.183	S	C	.	.			trans	-117.3	80.8	-177.1	-176.8	13.5	0	0	0	110.6	D508 K518	D508-D512 PolarHBondContact O-N 2.71Å; D508-D512 VanDerWaalsContact O-N 3.12Å; D512-K518 WeakPolarHBondContact OD2-CE 3.49Å; D512-K518 IonicContact OD2-NZ 3.25Å; D512-K518 PolarHBondContact OD2-NZ 2.93Å
513	T	88.9	Confident	93.9	Very high	34 Å²	34	37.9 Å²	37.9	21%	0.209	18%	0.183	C	C	.	.			trans	-90.5	-0.6	-175.7	55.3	0	0	0	0	114.3	L509 M519 F551 S562	L509-T513 WeakPolarHBondContact O-CG2 3.31Å; T513-M519 WeakPolarHBondContact CA-SD 3.47Å; T513-M519 HydrophobicContact CG2-CE 4.2Å; T513-F551 HydrophobicContact CG2-CE2 4.27Å; T513-F551 HydrophobicContact CG2-CZ 4.32Å; T513-S562 WeakPolarHBondContact O-CB 3.44Å; T513-S562 PolarHBondContact O-OG 3.18Å
514	Q	87.2	Confident	94	Very high	142 Å²	142	40 Å²	40	66%	0.664	20%	0.195	S	C	*	.	S	Bend	trans	-88.5	-28.8	-175.9	-59.4	-56.3	-60.9	0	0	112.1	H516	Q514-H516 PolarHBondContact O-N 3.3Å
515	E	91	Very high	94.1	Very high	71 Å²	71	39.9 Å²	39.9	33%	0.332	19%	0.194	S	C	.	.			trans	-88.6	87.4	-178.9	-175.4	54.3	-114.6	0	0	111.4	V472 Q517 K518 M519	V472-E515 HydrophobicContact CG1-CG 3.76Å; E515-Q517 VanDerWaalsContact C-N 3.35Å; E515-Q517 PolarHBondContact O-N 2.84Å; E515-K518 HydrophobicContact CB-CB 4.09Å; E515-K518 HydrophobicContact CG-CB 3.48Å; E515-K518 VanDerWaalsContact CG-CB 3.48Å; E515-K518 PolarHBondContact O-N 3.37Å; E515-M519 WeakPolarHBondContact O-CG 3.5Å; E515-M519 PolarHBondContact O-N 3.2Å
516	H	91.8	Very high	94.1	Very high	34 Å²	34	39.9 Å²	39.9	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-52	-48.4	-177.1	172.4	73.2	0	0	0	113.1	Q514 K518 M519 C520 D563 T565	Q514-H516 PolarHBondContact O-N 3.3Å; H516-K518 VanDerWaalsContact C-N 3.34Å; H516-K518 PolarHBondContact O-N 3.38Å; H516-M519 WeakPolarHBondContact O-CB 3.26Å; H516-M519 PolarHBondContact O-N 3.4Å; H516-C520 PolarHBondContact CE1-SG 3.07Å; H516-C520 PolarHBondContact O-N 3.38Å; H516-C520 PolarHBondContact O-SG 3.45Å; H516-C520 VanDerWaalsContact O-SG 3.34Å; H516-D563 IonicContact CE1-OD1 3.84Å; H516-D563 PolarHBondContact CE1-OD1 2.9Å; H516-D563 IonicContact ND1-OD1 2.81Å; H516-D563 PolarHBondContact ND1-OD1 2.73Å; H516-D563 IonicContact NE2-OD1 3.48Å; H516-T565 PolarHBondContact CE1-OG1 3.26Å; H516-T565 PolarHBondContact NE2-OG1 3.17Å
517	Q	93.6	Very high	94.2	Very high	94 Å²	94	39.9 Å²	39.9	44%	0.439	19%	0.194	S	C	.	.	H	α-helix	trans	-62.9	-43.5	-176.3	-172.6	178.2	17.8	0	0	111.2	L476 E515 C520 Y521	L476-Q517 HydrophobicContact CD1-CG 4.41Å; L476-Q517 HydrophobicContact CD2-CG 4.17Å; E515-Q517 VanDerWaalsContact C-N 3.35Å; E515-Q517 PolarHBondContact O-N 2.84Å; Q517-C520 PolarHBondContact O-N 3.4Å; Q517-Y521 HydrophobicContact CG-CD2 4.05Å; Q517-Y521 HydrophobicContact CG-CE2 4.05Å; Q517-Y521 WeakPolarHBondContact O-CD2 3.44Å; Q517-Y521 PolarHBondContact O-N 3.16Å
518	K	93.8	Very high	94.3	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-45.3	176.3	-174.8	-178.6	63.7	77.4	0	110.7	V472 L476 L479 D508 D512 E515 H516 C520 Y521 T522	V472-K518 HydrophobicContact CG1-CB 4.42Å; V472-K518 HydrophobicContact CG1-CD 4.37Å; L476-K518 HydrophobicContact CD2-CB 4.19Å; L479-K518 HydrophobicContact CD1-CG 4.38Å; D508-K518 IonicContact OD1-NZ 2.76Å; D508-K518 PolarHBondContact OD1-NZ 3.25Å; D508-K518 IonicContact OD2-NZ 3.72Å; D508-K518 PolarHBondContact OD2-NZ 3.25Å; D512-K518 WeakPolarHBondContact OD2-CE 3.49Å; D512-K518 IonicContact OD2-NZ 3.25Å; D512-K518 PolarHBondContact OD2-NZ 2.93Å; E515-K518 HydrophobicContact CB-CB 4.09Å; E515-K518 HydrophobicContact CG-CB 3.48Å; E515-K518 VanDerWaalsContact CG-CB 3.48Å; E515-K518 PolarHBondContact O-N 3.37Å; H516-K518 VanDerWaalsContact C-N 3.34Å; H516-K518 PolarHBondContact O-N 3.38Å; K518-C520 VanDerWaalsContact C-N 3.33Å; K518-C520 PolarHBondContact O-N 3.49Å; K518-Y521 PolarHBondContact O-N 3.46Å; K518-T522 WeakPolarHBondContact O-CB 3.47Å; K518-T522 PolarHBondContact O-N 3.31Å; K518-T522 PolarHBondContact O-OG1 2.88Å
519	M	94.8	Very high	94.5	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-56.9	-45.5	177.8	-70.2	-169.8	78.4	0	0	112.7	L509 T513 E515 H516 Y521 T522 A523 F551 L560 L568 F572	L509-M519 HydrophobicContact CD2-CB 4.31Å; L509-M519 HydrophobicContact CD2-CE 4.41Å; T513-M519 WeakPolarHBondContact CA-SD 3.47Å; T513-M519 HydrophobicContact CG2-CE 4.2Å; E515-M519 WeakPolarHBondContact O-CG 3.5Å; E515-M519 PolarHBondContact O-N 3.2Å; H516-M519 WeakPolarHBondContact O-CB 3.26Å; H516-M519 PolarHBondContact O-N 3.4Å; M519-Y521 PolarHBondContact O-N 2.89Å; M519-T522 PolarHBondContact O-N 3.45Å; M519-A523 WeakPolarHBondContact O-CB 3.35Å; M519-A523 PolarHBondContact O-N 3.17Å; M519-F551 HydrophobicContact CE-CZ 4.09Å; M519-L560 HydrophobicContact CE-CD1 3.73Å; M519-L560 HydrophobicContact SD-CD1 4.01Å; M519-L568 HydrophobicContact CB-CD1 4.17Å; M519-L568 HydrophobicContact CE-CD2 4.04Å; M519-L568 HydrophobicContact SD-CD2 4.28Å; M519-F572 HydrophobicContact CE-CZ 3.85Å
520	C	96	Very high	94.5	Very high	16 Å²	16	36.6 Å²	36.6	11%	0.108	18%	0.183	C	C	.	.	H	α-helix	trans	-58.5	-48.2	177.3	-67.1	0	0	0	0	111.7	H516 Q517 K518 L524 I571	H516-C520 PolarHBondContact CE1-SG 3.07Å; H516-C520 PolarHBondContact O-N 3.38Å; H516-C520 PolarHBondContact O-SG 3.45Å; H516-C520 VanDerWaalsContact O-SG 3.34Å; Q517-C520 PolarHBondContact O-N 3.4Å; K518-C520 VanDerWaalsContact C-N 3.33Å; K518-C520 PolarHBondContact O-N 3.49Å; C520-L524 VanDerWaalsContact O-CB 3.25Å; C520-L524 WeakPolarHBondContact O-CB 3.46Å; C520-L524 PolarHBondContact O-N 2.98Å; C520-I571 HydrophobicContact CB-CD1 3.86Å
521	Y	97.2	Very high	94.7	Very high	66 Å²	66	34 Å²	34	26%	0.259	17%	0.172	S	C	.	.	H	α-helix	trans	-68.3	-39.7	178.5	-83.8	-77.7	0	0	0	112.8	L476 K480 Q517 K518 M519 L524 V525	L476-Y521 HydrophobicContact CD2-CD2 3.73Å; L476-Y521 HydrophobicContact CD2-CG 4.22Å; K480-Y521 WeakPolarHBondContact CE-OH 3.23Å; K480-Y521 HydrophobicContact CG-CD1 4.2Å; K480-Y521 HydrophobicContact CG-CE1 3.81Å; Q517-Y521 HydrophobicContact CG-CD2 4.05Å; Q517-Y521 HydrophobicContact CG-CE2 4.05Å; Q517-Y521 WeakPolarHBondContact O-CD2 3.44Å; Q517-Y521 PolarHBondContact O-N 3.16Å; K518-Y521 PolarHBondContact O-N 3.46Å; M519-Y521 PolarHBondContact O-N 2.89Å; Y521-L524 PolarHBondContact O-N 2.9Å; Y521-V525 WeakPolarHBondContact O-CG2 3.34Å; Y521-V525 PolarHBondContact O-N 3.28Å
522	T	97.6	Very high	94.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-45.6	177.2	-62.2	0	0	0	0	110.3	L479 L505 D508 L509 K518 M519 L526	L479-T522 WeakPolarHBondContact CD1-OG1 3.3Å; L505-T522 HydrophobicContact CB-CG2 3.8Å; L505-T522 HydrophobicContact CD2-CG2 3.77Å; L505-T522 HydrophobicContact CG-CG2 4.33Å; L505-T522 WeakPolarHBondContact O-CG2 3.43Å; D508-T522 HydrophobicContact CB-CG2 4.49Å; D508-T522 PolarHBondContact OD2-OG1 2.85Å; L509-T522 HydrophobicContact CD1-CG2 4.23Å; L509-T522 HydrophobicContact CD2-CG2 3.66Å; L509-T522 HydrophobicContact CG-CG2 3.54Å; K518-T522 WeakPolarHBondContact O-CB 3.47Å; K518-T522 PolarHBondContact O-N 3.31Å; K518-T522 PolarHBondContact O-OG1 2.88Å; M519-T522 PolarHBondContact O-N 3.45Å; T522-L526 VanDerWaalsContact O-CB 3.3Å; T522-L526 WeakPolarHBondContact O-CB 3.37Å; T522-L526 PolarHBondContact O-N 3.14Å
523	A	97.8	Very high	95.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-38.2	176.8	0	0	0	0	0	112.4	L509 M519 L526 T527 I571 F572 L575	L509-A523 HydrophobicContact CD1-CB 4.34Å; L509-A523 HydrophobicContact CD2-CB 4.27Å; M519-A523 WeakPolarHBondContact O-CB 3.35Å; M519-A523 PolarHBondContact O-N 3.17Å; A523-L526 PolarHBondContact O-N 3.4Å; A523-T527 WeakPolarHBondContact O-CB 3.48Å; A523-T527 PolarHBondContact O-N 3.21Å; A523-T527 PolarHBondContact O-OG1 3.49Å; A523-I571 HydrophobicContact CB-CG2 3.61Å; A523-F572 HydrophobicContact CB-CD1 3.95Å; A523-F572 HydrophobicContact CB-CE1 3.65Å; A523-L575 HydrophobicContact CB-CD2 4.1Å
524	L	97.9	Very high	95.4	Very high	60 Å²	60	30.1 Å²	30.1	31%	0.314	15%	0.149	S	C	.	.	H	α-helix	trans	-62.4	-49.5	175.6	179	62.4	0	0	0	111.8	C520 Y521 L526 T527 M528 M620	C520-L524 VanDerWaalsContact O-CB 3.25Å; C520-L524 WeakPolarHBondContact O-CB 3.46Å; C520-L524 PolarHBondContact O-N 2.98Å; Y521-L524 PolarHBondContact O-N 2.9Å; L524-L526 VanDerWaalsContact C-N 3.31Å; L524-L526 PolarHBondContact O-N 3.49Å; L524-T527 WeakPolarHBondContact O-CB 3.46Å; L524-T527 PolarHBondContact O-N 3.47Å; L524-T527 VanDerWaalsContact O-N 3.16Å; L524-M528 HydrophobicContact CD1-CE 3.98Å; L524-M528 HydrophobicContact CD2-CE 4.12Å; L524-M528 HydrophobicContact CG-CE 3.85Å; L524-M528 HydrophobicContact CG-SD 4.41Å; L524-M528 WeakPolarHBondContact O-CG 3.43Å; L524-M528 PolarHBondContact O-N 2.9Å; L524-M620 HydrophobicContact CD1-CE 3.9Å; L524-M620 HydrophobicContact CD1-SD 4.12Å
525	V	98.3	Very high	95.7	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-63.4	-40.4	178.1	172.9	0	0	0	0	110.7	L479 F482 L505 Y521 T527 M528 I529	L479-V525 HydrophobicContact CB-CG2 4.08Å; L479-V525 HydrophobicContact CD2-CB 4.17Å; L479-V525 HydrophobicContact CD2-CG1 4.45Å; L479-V525 HydrophobicContact CD2-CG2 4Å; L479-V525 VanDerWaalsContact O-CG2 3.22Å; L479-V525 WeakPolarHBondContact O-CG2 3.44Å; F482-V525 HydrophobicContact CB-CG1 4.03Å; L505-V525 HydrophobicContact CD1-CB 4.38Å; L505-V525 HydrophobicContact CD1-CG1 3.88Å; Y521-V525 WeakPolarHBondContact O-CG2 3.34Å; Y521-V525 PolarHBondContact O-N 3.28Å; V525-T527 VanDerWaalsContact C-N 3.29Å; V525-T527 PolarHBondContact O-N 2.82Å; V525-M528 WeakPolarHBondContact O-CB 3.5Å; V525-M528 PolarHBondContact O-N 2.9Å; V525-I529 HydrophobicContact CG1-CD1 3.94Å; V525-I529 HydrophobicContact CG1-CG1 4.47Å; V525-I529 VanDerWaalsContact O-CG1 3.31Å; V525-I529 WeakPolarHBondContact O-CG1 3.31Å; V525-I529 PolarHBondContact O-N 3.01Å
526	L	98.1	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-36.3	176.3	-167	60.7	0	0	0	111.8	P502 L505 L509 T522 A523 L524 I529 F530 F548 L575	P502-L526 HydrophobicContact CB-CD1 3.88Å; L505-L526 HydrophobicContact CB-CD1 4.22Å; L505-L526 HydrophobicContact CB-CD2 4.46Å; L505-L526 HydrophobicContact CD1-CB 4.19Å; L505-L526 HydrophobicContact CD1-CD1 4.12Å; L509-L526 HydrophobicContact CD1-CD2 4.21Å; T522-L526 VanDerWaalsContact O-CB 3.3Å; T522-L526 WeakPolarHBondContact O-CB 3.37Å; T522-L526 PolarHBondContact O-N 3.14Å; A523-L526 PolarHBondContact O-N 3.4Å; L524-L526 VanDerWaalsContact C-N 3.31Å; L524-L526 PolarHBondContact O-N 3.49Å; L526-I529 PolarHBondContact O-N 3.45Å; L526-F530 HydrophobicContact CD1-CD2 4.1Å; L526-F530 HydrophobicContact CD1-CE2 3.41Å; L526-F530 VanDerWaalsContact CD1-CE2 3.41Å; L526-F530 HydrophobicContact CD1-CZ 3.95Å; L526-F530 HydrophobicContact CD2-CE2 4.19Å; L526-F530 HydrophobicContact CG-CD2 3.96Å; L526-F530 HydrophobicContact CG-CE2 3.53Å; L526-F530 WeakPolarHBondContact O-CD2 3.26Å; L526-F530 PolarHBondContact O-N 2.96Å; L526-F530 VanDerWaalsContact O-N 3.13Å; L526-F548 HydrophobicContact CD2-CZ 3.79Å; L526-L575 HydrophobicContact CB-CD1 3.83Å; L526-L575 HydrophobicContact CD2-CD1 3.83Å; L526-L575 HydrophobicContact CD2-CD2 4.04Å; L526-L575 HydrophobicContact CG-CD1 3.63Å
527	T	98.3	Very high	96	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-45.6	172	-53.8	0	0	0	0	111.2	A523 L524 V525 I529 F530 S531 N574 L575 A578 M620	A523-T527 WeakPolarHBondContact O-CB 3.48Å; A523-T527 PolarHBondContact O-N 3.21Å; A523-T527 PolarHBondContact O-OG1 3.49Å; L524-T527 WeakPolarHBondContact O-CB 3.46Å; L524-T527 PolarHBondContact O-N 3.47Å; L524-T527 VanDerWaalsContact O-N 3.16Å; V525-T527 VanDerWaalsContact C-N 3.29Å; V525-T527 PolarHBondContact O-N 2.82Å; T527-I529 VanDerWaalsContact C-N 3.28Å; T527-I529 PolarHBondContact O-N 3.21Å; T527-F530 PolarHBondContact O-N 2.89Å; T527-S531 PolarHBondContact O-N 3.24Å; T527-N574 HydrophobicContact CG2-CB 4.23Å; T527-L575 VanDerWaalsContact OG1-CA 3.26Å; T527-L575 WeakPolarHBondContact OG1-CA 3.3Å; T527-L575 WeakPolarHBondContact OG1-CB 3.28Å; T527-L575 PolarHBondContact OG1-N 2.85Å; T527-A578 HydrophobicContact CG2-CB 4.04Å; T527-M620 HydrophobicContact CG2-CE 3.5Å; T527-M620 VanDerWaalsContact CG2-CE 3.5Å
528	M	97.9	Very high	95.9	Very high	28 Å²	28	30.6 Å²	30.6	14%	0.138	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-36.3	175.9	-70.1	173	171.5	0	0	112.4	C486 L524 V525 S531 M620 F621	C486-M528 HydrophobicContact CB-CB 4.22Å; L524-M528 HydrophobicContact CD1-CE 3.98Å; L524-M528 HydrophobicContact CD2-CE 4.12Å; L524-M528 HydrophobicContact CG-CE 3.85Å; L524-M528 HydrophobicContact CG-SD 4.41Å; L524-M528 WeakPolarHBondContact O-CG 3.43Å; L524-M528 PolarHBondContact O-N 2.9Å; V525-M528 WeakPolarHBondContact O-CB 3.5Å; V525-M528 PolarHBondContact O-N 2.9Å; M528-S531 PolarHBondContact O-OG 3.19Å; M528-M620 HydrophobicContact CE-SD 4.15Å; M528-M620 HydrophobicContact CG-SD 3.58Å; M528-M620 VanDerWaalsContact CG-SD 3.58Å; M528-F621 HydrophobicContact CB-CE2 3.82Å; M528-F621 HydrophobicContact CB-CZ 4.03Å; M528-F621 HydrophobicContact CE-CZ 4.22Å; M528-F621 HydrophobicContact CG-CE2 3.88Å; M528-F621 HydrophobicContact CG-CZ 3.69Å; M528-F621 HydrophobicContact SD-CZ 3.94Å
529	I	97.8	Very high	95.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-70.4	-39	178.9	-68.7	165.5	0	0	0	111.3	I493 L496 L497 L501 P502 L505 V525 L526 T527	I493-I529 VanDerWaalsContact CG2-O 3.24Å; I493-I529 WeakPolarHBondContact CG2-O 3.49Å; L496-I529 HydrophobicContact CB-CD1 4.31Å; L496-I529 HydrophobicContact CB-CG1 4.23Å; L497-I529 HydrophobicContact CB-CG2 3.78Å; L497-I529 HydrophobicContact CD1-CG2 3.86Å; L497-I529 HydrophobicContact CG-CG2 4.44Å; L501-I529 HydrophobicContact CD2-CD1 3.73Å; L501-I529 HydrophobicContact CG-CD1 4.19Å; P502-I529 HydrophobicContact CG-CG2 4.15Å; L505-I529 HydrophobicContact CD1-CD1 3.96Å; V525-I529 HydrophobicContact CG1-CD1 3.94Å; V525-I529 HydrophobicContact CG1-CG1 4.47Å; V525-I529 VanDerWaalsContact O-CG1 3.31Å; V525-I529 WeakPolarHBondContact O-CG1 3.31Å; V525-I529 PolarHBondContact O-N 3.01Å; L526-I529 PolarHBondContact O-N 3.45Å; T527-I529 VanDerWaalsContact C-N 3.28Å; T527-I529 PolarHBondContact O-N 3.21Å
530	F	97	Very high	95.8	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-83.8	-7.4	178.8	-66.2	-52.8	0	0	0	114.3	L497 P502 L526 T527 M532 G533 V536 L544 L575 A578 F579	L497-F530 HydrophobicContact CD1-CD1 3.83Å; L497-F530 HydrophobicContact CD1-CE1 3.56Å; P502-F530 HydrophobicContact CB-CZ 4.19Å; L526-F530 HydrophobicContact CD1-CD2 4.1Å; L526-F530 HydrophobicContact CD1-CE2 3.41Å; L526-F530 VanDerWaalsContact CD1-CE2 3.41Å; L526-F530 HydrophobicContact CD1-CZ 3.95Å; L526-F530 HydrophobicContact CD2-CE2 4.19Å; L526-F530 HydrophobicContact CG-CD2 3.96Å; L526-F530 HydrophobicContact CG-CE2 3.53Å; L526-F530 WeakPolarHBondContact O-CD2 3.26Å; L526-F530 PolarHBondContact O-N 2.96Å; L526-F530 VanDerWaalsContact O-N 3.13Å; T527-F530 PolarHBondContact O-N 2.89Å; F530-M532 PolarHBondContact O-N 3.35Å; F530-M532 VanDerWaalsContact O-N 3.08Å; F530-G533 PolarHBondContact O-N 2.97Å; F530-V536 HydrophobicContact CD1-CG2 4.1Å; F530-V536 HydrophobicContact CE1-CG1 4.37Å; F530-V536 HydrophobicContact CE1-CG2 3.67Å; F530-L544 HydrophobicContact CE1-CD1 4.31Å; F530-L544 HydrophobicContact CE2-CD2 4.48Å; F530-L544 HydrophobicContact CZ-CD1 3.64Å; F530-L544 HydrophobicContact CZ-CD2 4.23Å; F530-L575 HydrophobicContact CD2-CD1 4.16Å; F530-A578 HydrophobicContact CB-CB 4.01Å; F530-F579 HydrophobicContact CD1-CD2 4.35Å; F530-F579 HydrophobicContact CD2-CB 4.41Å; F530-F579 HydrophobicContact CD2-CD2 4.1Å; F530-F579 HydrophobicContact CE1-CD2 4.12Å; F530-F579 HydrophobicContact CE1-CE2 4.4Å; F530-F579 AromaticContact CE2-CD2 3.81Å; F530-F579 HydrophobicContact CE2-CD2 3.81Å; F530-F579 HydrophobicContact CE2-CE2 4.48Å; F530-F579 HydrophobicContact CG-CD2 4.37Å; F530-F579 AromaticContact CZ-CD2 3.86Å; F530-F579 HydrophobicContact CZ-CD2 3.86Å; F530-F579 HydrophobicContact CZ-CE2 4.14Å
531	S	95.9	Very high	95.6	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.7	-173.4	73.9	0	0	0	0	114.1	T527 M528 G533	T527-S531 PolarHBondContact O-N 3.24Å; M528-S531 PolarHBondContact O-OG 3.19Å; S531-G533 VanDerWaalsContact C-N 3.33Å
532	M	94.6	Very high	95.4	Very high	20 Å²	20	41.1 Å²	41.1	10%	0.099	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.5	178.6	-62.5	-55.5	-60	0	0	113.6	A490 I493 F530 E534 H623 V627	A490-M532 HydrophobicContact CB-CE 4.15Å; I493-M532 HydrophobicContact CB-CG 4.19Å; I493-M532 HydrophobicContact CD1-CG 3.83Å; I493-M532 HydrophobicContact CD1-SD 4.23Å; I493-M532 HydrophobicContact CG2-CB 4.41Å; I493-M532 HydrophobicContact CG2-CG 3.77Å; F530-M532 PolarHBondContact O-N 3.35Å; F530-M532 VanDerWaalsContact O-N 3.08Å; M532-E534 HydrophobicContact CB-CG 4.08Å; M532-E534 PolarHBondContact O-N 3.09Å; M532-E534 VanDerWaalsContact O-N 3.12Å; M532-H623 HydrophobicContact CE-CB 3.73Å; M532-H623 HydrophobicContact SD-CB 3.68Å; M532-V627 VanDerWaalsContact O-CG1 3.28Å; M532-V627 WeakPolarHBondContact O-CG1 3.13Å
533	G	93.6	Very high	95.1	Very high	23 Å²	23	44.1 Å²	44.1	24%	0.237	21%	0.208	C	C	.	.			trans	62.2	18.4	178.9	0	0	0	0	0	114.9	F530 S531 H582	F530-G533 PolarHBondContact O-N 2.97Å; S531-G533 VanDerWaalsContact C-N 3.33Å; G533-H582 WeakPolarHBondContact O-CA 3.35Å
534	E	94	Very high	94.9	Very high	61 Å²	61	44.1 Å²	44.1	29%	0.285	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-70	150.8	178.3	-68.7	-177.9	-171.6	0	0	111.9	S494 L497 M532 V536 H582	S494-E534 WeakPolarHBondContact CA-OE2 3.34Å; S494-E534 WeakPolarHBondContact CB-OE2 3.37Å; S494-E534 VanDerWaalsContact OG-CD 3.27Å; S494-E534 PolarHBondContact OG-OE1 3.46Å; S494-E534 PolarHBondContact OG-OE2 3.28Å; S494-E534 VanDerWaalsContact OG-OE2 3.1Å; L497-E534 HydrophobicContact CD2-CB 3.61Å; M532-E534 HydrophobicContact CB-CG 4.08Å; M532-E534 PolarHBondContact O-N 3.09Å; M532-E534 VanDerWaalsContact O-N 3.12Å; E534-V536 PolarHBondContact O-N 3.02Å; E534-H582 WeakPolarHBondContact O-CB 3.4Å
535	Q	93.2	Very high	94.5	Very high	111 Å²	111	42.9 Å²	42.9	52%	0.519	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-62.7	126.7	178.2	-68.5	-59	-46.6	0	0	111.3	H582	Q535-H582 PolarHBondContact NE2-O 3.42Å
536	V	93.8	Very high	94.2	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.067	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-80	135.9	178.9	-171	0	0	0	0	109.9	L497 F530 E534 H540 L544 H582	L497-V536 HydrophobicContact CD1-CG1 4.36Å; L497-V536 HydrophobicContact CD1-CG2 4.18Å; F530-V536 HydrophobicContact CD1-CG2 4.1Å; F530-V536 HydrophobicContact CE1-CG1 4.37Å; F530-V536 HydrophobicContact CE1-CG2 3.67Å; E534-V536 PolarHBondContact O-N 3.02Å; V536-H540 HydrophobicContact CG1-CB 3.65Å; V536-L544 HydrophobicContact CG1-CD1 4Å; V536-H582 HydrophobicContact CG2-CB 4.38Å
537	P	95	Very high	94	Very high	22 Å²	22	50.4 Å²	50.4	14%	0.143	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-57.9	141.1	175.5	-24.1	33.5	0	0	0	112.9	N498 H539 H540	N498-P537 WeakPolarHBondContact OD1-CG 3.28Å; P537-H539 VanDerWaalsContact C-N 3.27Å; P537-H539 WeakPolarHBondContact CB-CE1 3.44Å; P537-H539 PolarHBondContact O-N 3.42Å; P537-H539 VanDerWaalsContact O-N 3.15Å; P537-H540 WeakPolarHBondContact O-CB 3.33Å; P537-H540 PolarHBondContact O-N 3.26Å
538	Y	91.1	Very high	93.9	Very high	207 Å²	207	50.3 Å²	50.3	81%	0.812	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-59.7	-33.7	-170.8	-172.7	-94.2	0	0	0	114.3	H540 Y541	Y538-H540 PolarHBondContact O-N 2.87Å; Y538-Y541 HydrophobicContact CD2-CD2 4.39Å; Y538-Y541 WeakPolarHBondContact O-CD2 3.41Å; Y538-Y541 PolarHBondContact O-N 3.23Å
539	H	92.7	Very high	93.8	Very high	92 Å²	92	49.1 Å²	49.1	43%	0.426	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-67.6	-21.1	179.6	62.1	-81.9	0	0	0	112.9	M503 P537 Y541 E542	M503-H539 VanDerWaalsContact CE-CD2 3.49Å; M503-H539 WeakPolarHBondContact CE-CD2 3.46Å; P537-H539 VanDerWaalsContact C-N 3.27Å; P537-H539 WeakPolarHBondContact CB-CE1 3.44Å; P537-H539 PolarHBondContact O-N 3.42Å; P537-H539 VanDerWaalsContact O-N 3.15Å; H539-Y541 PolarHBondContact O-N 3.44Å; H539-E542 WeakPolarHBondContact O-CB 3.48Å; H539-E542 WeakPolarHBondContact O-CG 3.15Å; H539-E542 PolarHBondContact O-N 2.82Å
540	H	94.4	Very high	93.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-66.9	-27.3	177.2	-65.9	34.1	0	0	0	112.5	L497 S499 M503 V536 P537 Y538 E542 H543 L544	L497-H540 PolarHBondContact O-NE2 3.15Å; S499-H540 PolarHBondContact O-CE1 2.88Å; S499-H540 PolarHBondContact O-NE2 3.17Å; M503-H540 HydrophobicContact CG-CB 4.02Å; V536-H540 HydrophobicContact CG1-CB 3.65Å; P537-H540 WeakPolarHBondContact O-CB 3.33Å; P537-H540 PolarHBondContact O-N 3.26Å; Y538-H540 PolarHBondContact O-N 2.87Å; H540-E542 PolarHBondContact O-N 3.39Å; H540-E542 VanDerWaalsContact O-N 3.13Å; H540-H543 PolarHBondContact O-N 2.91Å; H540-L544 HydrophobicContact CB-CD1 3.77Å; H540-L544 HydrophobicContact CB-CG 4.47Å; H540-L544 WeakPolarHBondContact O-CB 3.49Å; H540-L544 PolarHBondContact O-N 2.91Å
541	Y	92.4	Very high	93.5	Very high	65 Å²	65	55.3 Å²	55.3	26%	0.255	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-66.3	-9.8	177.3	-66.5	-74.6	0	0	0	113.9	Y538 H539 H543 S545 F579 H582	Y538-Y541 HydrophobicContact CD2-CD2 4.39Å; Y538-Y541 WeakPolarHBondContact O-CD2 3.41Å; Y538-Y541 PolarHBondContact O-N 3.23Å; H539-Y541 PolarHBondContact O-N 3.44Å; Y541-H543 PolarHBondContact O-N 3.31Å; Y541-S545 WeakPolarHBondContact O-CA 3.49Å; Y541-S545 WeakPolarHBondContact O-CB 3.47Å; Y541-S545 PolarHBondContact O-N 3.1Å; Y541-F579 HydrophobicContact CE1-CZ 4.16Å; Y541-H582 AromaticContact CZ-NE2 3.81Å; Y541-H582 PolarHBondContact OH-CD2 2.88Å; Y541-H582 PolarHBondContact OH-NE2 3.29Å
542	E	91.2	Very high	93.5	Very high	149 Å²	149	55.1 Å²	55.1	70%	0.696	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-60.9	-37.9	167.8	-67.3	-176.1	177.3	0	0	111.3	H539 H540	H539-E542 WeakPolarHBondContact O-CB 3.48Å; H539-E542 WeakPolarHBondContact O-CG 3.15Å; H539-E542 PolarHBondContact O-N 2.82Å; H540-E542 PolarHBondContact O-N 3.39Å; H540-E542 VanDerWaalsContact O-N 3.13Å
543	H	92.3	Very high	93.6	Very high	62 Å²	62	54.2 Å²	54.2	29%	0.287	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-35.5	179.2	-62.5	81.5	0	0	0	112	M503 H540 Y541 S545 F548	M503-H543 HydrophobicContact CB-CB 4.06Å; M503-H543 HydrophobicContact CG-CB 4.17Å; H540-H543 PolarHBondContact O-N 2.91Å; Y541-H543 PolarHBondContact O-N 3.31Å; H543-S545 PolarHBondContact O-N 2.67Å; H543-F548 WeakPolarHBondContact O-CB 3.49Å
544	L	92.8	Very high	93.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.255	C	S	.	.	S	Bend	trans	-82.2	48.5	171.6	-56.9	172.4	0	0	0	110.7	A506 F530 V536 H540 F548 F579	A506-L544 HydrophobicContact CB-CD2 3.66Å; F530-L544 HydrophobicContact CE1-CD1 4.31Å; F530-L544 HydrophobicContact CE2-CD2 4.48Å; F530-L544 HydrophobicContact CZ-CD1 3.64Å; F530-L544 HydrophobicContact CZ-CD2 4.23Å; V536-L544 HydrophobicContact CG1-CD1 4Å; H540-L544 HydrophobicContact CB-CD1 3.77Å; H540-L544 HydrophobicContact CB-CG 4.47Å; H540-L544 WeakPolarHBondContact O-CB 3.49Å; H540-L544 PolarHBondContact O-N 2.91Å; L544-F548 HydrophobicContact CD2-CD1 3.94Å; L544-F548 HydrophobicContact CD2-CE1 3.77Å; L544-F548 HydrophobicContact CD2-CZ 4.29Å; L544-F579 HydrophobicContact CB-CE2 4.18Å; L544-F579 HydrophobicContact CB-CZ 4.02Å; L544-F579 HydrophobicContact CD1-CE2 3.98Å; L544-F579 HydrophobicContact CG-CE2 4.49Å
545	S	91.2	Very high	93.7	Very high	34 Å²	34	51.1 Å²	51.1	24%	0.238	24%	0.242	C	C	.	.	S	Bend	trans	-85.7	178.9	-172.5	74.5	0	0	0	0	112.1	Y541 H543 E547 F548 V549	Y541-S545 WeakPolarHBondContact O-CA 3.49Å; Y541-S545 WeakPolarHBondContact O-CB 3.47Å; Y541-S545 PolarHBondContact O-N 3.1Å; H543-S545 PolarHBondContact O-N 2.67Å; S545-E547 PolarHBondContact O-N 2.77Å; S545-E547 VanDerWaalsContact O-N 3.14Å; S545-E547 PolarHBondContact OG-N 3.49Å; S545-F548 WeakPolarHBondContact O-CB 3.42Å; S545-F548 PolarHBondContact O-N 3Å; S545-V549 PolarHBondContact O-N 2.86Å
546	A	91.9	Very high	93.8	Very high	39 Å²	39	46 Å²	46	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-53.1	-30.1	169.1	0	0	0	0	0	113.1	R550 E594	A546-R550 WeakPolarHBondContact O-CB 3.4Å; A546-R550 WeakPolarHBondContact O-CG 3.27Å; A546-R550 PolarHBondContact O-N 3.3Å; A546-R550 PolarHBondContact O-NE 3.42Å; A546-E594 WeakPolarHBondContact CB-OE1 3.06Å
547	E	93.4	Very high	93.8	Very high	120 Å²	120	47.6 Å²	47.6	56%	0.561	23%	0.225	S	C	*	.	H	α-helix	trans	-70	-37.4	176.3	-174.2	174.9	-178.8	0	0	112.7	S545 R550 F551	S545-E547 PolarHBondContact O-N 2.77Å; S545-E547 VanDerWaalsContact O-N 3.14Å; S545-E547 PolarHBondContact OG-N 3.49Å; E547-R550 PolarHBondContact O-N 3.2Å; E547-F551 WeakPolarHBondContact O-CB 3.46Å; E547-F551 PolarHBondContact O-N 2.66Å
548	F	95.8	Very high	93.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-47.1	173.5	177.4	-110.2	0	0	0	111.5	A506 L509 Q510 L526 H543 L544 S545 R550 F551 L552 L575	A506-F548 HydrophobicContact CB-CD2 3.97Å; A506-F548 HydrophobicContact CB-CE2 3.8Å; A506-F548 HydrophobicContact CB-CZ 4.21Å; L509-F548 HydrophobicContact CD1-CE2 4.23Å; Q510-F548 HydrophobicContact CG-CD2 4.39Å; Q510-F548 VanDerWaalsContact NE2-CA 3.3Å; L526-F548 HydrophobicContact CD2-CZ 3.79Å; H543-F548 WeakPolarHBondContact O-CB 3.49Å; L544-F548 HydrophobicContact CD2-CD1 3.94Å; L544-F548 HydrophobicContact CD2-CE1 3.77Å; L544-F548 HydrophobicContact CD2-CZ 4.29Å; S545-F548 WeakPolarHBondContact O-CB 3.42Å; S545-F548 PolarHBondContact O-N 3Å; F548-R550 VanDerWaalsContact C-N 3.35Å; F548-R550 PolarHBondContact O-N 3.48Å; F548-F551 WeakPolarHBondContact O-CB 3.38Å; F548-F551 PolarHBondContact O-N 3.16Å; F548-L552 HydrophobicContact CD1-CD1 4.22Å; F548-L552 HydrophobicContact CE1-CD1 3.62Å; F548-L552 HydrophobicContact CE1-CG 4.17Å; F548-L552 HydrophobicContact CE2-CD1 4.49Å; F548-L552 HydrophobicContact CE2-CD2 4.04Å; F548-L552 HydrophobicContact CE2-CG 4.25Å; F548-L552 HydrophobicContact CZ-CD1 3.77Å; F548-L552 HydrophobicContact CZ-CD2 3.97Å; F548-L552 HydrophobicContact CZ-CG 4.02Å; F548-L552 WeakPolarHBondContact O-CG 3.29Å; F548-L552 PolarHBondContact O-N 3.44Å; F548-L575 HydrophobicContact CZ-CD2 4.2Å
549	V	95.2	Very high	93.7	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-44.2	175.5	175.7	0	0	0	0	111.5	S545 F551 L552 L553 F579 A590 I591 E594	S545-V549 PolarHBondContact O-N 2.86Å; V549-F551 VanDerWaalsContact C-N 3.28Å; V549-F551 PolarHBondContact O-N 3.46Å; V549-L552 PolarHBondContact O-N 3.31Å; V549-L553 HydrophobicContact CG1-CD1 4.02Å; V549-L553 HydrophobicContact CG1-CG 4.49Å; V549-L553 WeakPolarHBondContact O-CG 3.14Å; V549-L553 PolarHBondContact O-N 3.02Å; V549-F579 HydrophobicContact CG2-CD1 4.47Å; V549-F579 HydrophobicContact CG2-CE1 4.1Å; V549-A590 HydrophobicContact CG2-CB 4.39Å; V549-I591 HydrophobicContact CG1-CB 4.44Å; V549-I591 HydrophobicContact CG1-CG1 4.23Å; V549-I591 HydrophobicContact CG2-CG1 4.28Å; V549-E594 HydrophobicContact CB-CG 4.29Å; V549-E594 HydrophobicContact CG1-CB 3.88Å; V549-E594 HydrophobicContact CG1-CG 3.93Å
550	R	94.6	Very high	93.6	Very high	95 Å²	95	42 Å²	42	36%	0.358	22%	0.217	S	C	.	.	H	α-helix	trans	-61.5	-37.1	176.9	-82.2	-178	-94.6	106.1	-1	113	A546 E547 F548 G554 E594 K598	A546-R550 WeakPolarHBondContact O-CB 3.4Å; A546-R550 WeakPolarHBondContact O-CG 3.27Å; A546-R550 PolarHBondContact O-N 3.3Å; A546-R550 PolarHBondContact O-NE 3.42Å; E547-R550 PolarHBondContact O-N 3.2Å; F548-R550 VanDerWaalsContact C-N 3.35Å; F548-R550 PolarHBondContact O-N 3.48Å; R550-G554 PolarHBondContact O-N 3.47Å; R550-E594 WeakPolarHBondContact CD-OE2 3.36Å; R550-E594 VanDerWaalsContact CG-CD 3.46Å; R550-E594 HydrophobicContact CG-CG 4.1Å; R550-E594 WeakPolarHBondContact CG-OE2 3.48Å; R550-E594 IonicContact CZ-OE1 3.79Å; R550-E594 IonicContact NE-OE1 3.4Å; R550-E594 PolarHBondContact NE-OE1 3.02Å; R550-E594 VanDerWaalsContact NE-OE1 3.09Å; R550-E594 IonicContact NE-OE2 3.18Å; R550-E594 PolarHBondContact NE-OE2 2.84Å; R550-E594 IonicContact NH2-OE1 2.94Å; R550-K598 PolarHBondContact O-NZ 2.91Å; R550-K598 VanDerWaalsContact O-NZ 3.12Å
551	F	95.3	Very high	93.2	Very high	42 Å²	42	48.4 Å²	48.4	18%	0.184	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-49.1	174	167.1	-104.6	0	0	0	111	L509 Q510 T513 M519 E547 F548 V549 L553 G554 V555 F572	L509-F551 HydrophobicContact CB-CE1 4.08Å; L509-F551 VanDerWaalsContact O-CZ 3.32Å; L509-F551 WeakPolarHBondContact O-CZ 3.45Å; Q510-F551 HydrophobicContact CG-CD1 3.9Å; Q510-F551 HydrophobicContact CG-CE1 4.22Å; Q510-F551 HydrophobicContact CG-CG 4.15Å; T513-F551 HydrophobicContact CG2-CE2 4.27Å; T513-F551 HydrophobicContact CG2-CZ 4.32Å; M519-F551 HydrophobicContact CE-CZ 4.09Å; E547-F551 WeakPolarHBondContact O-CB 3.46Å; E547-F551 PolarHBondContact O-N 2.66Å; F548-F551 WeakPolarHBondContact O-CB 3.38Å; F548-F551 PolarHBondContact O-N 3.16Å; V549-F551 VanDerWaalsContact C-N 3.28Å; V549-F551 PolarHBondContact O-N 3.46Å; F551-L553 PolarHBondContact O-N 3.06Å; F551-G554 PolarHBondContact O-N 3.18Å; F551-G554 VanDerWaalsContact O-N 3.1Å; F551-V555 HydrophobicContact CD2-CG2 4.34Å; F551-V555 HydrophobicContact CE2-CG2 3.91Å; F551-V555 HydrophobicContact CZ-CG2 4.06Å; F551-V555 PolarHBondContact O-N 3.42Å; F551-F572 HydrophobicContact CD1-CE2 4.25Å; F551-F572 AromaticContact CE1-CE2 3.54Å; F551-F572 HydrophobicContact CE1-CE2 3.54Å; F551-F572 HydrophobicContact CE1-CZ 4.01Å; F551-F572 AromaticContact CZ-CE2 3.94Å; F551-F572 HydrophobicContact CZ-CE2 3.94Å; F551-F572 HydrophobicContact CZ-CZ 4.29Å
552	L	96	Very high	92.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-57.1	-50	177.7	-65.1	-174.4	0	0	0	111.7	F548 V549 G554 V555 V556 F572 L575	F548-L552 HydrophobicContact CD1-CD1 4.22Å; F548-L552 HydrophobicContact CE1-CD1 3.62Å; F548-L552 HydrophobicContact CE1-CG 4.17Å; F548-L552 HydrophobicContact CE2-CD1 4.49Å; F548-L552 HydrophobicContact CE2-CD2 4.04Å; F548-L552 HydrophobicContact CE2-CG 4.25Å; F548-L552 HydrophobicContact CZ-CD1 3.77Å; F548-L552 HydrophobicContact CZ-CD2 3.97Å; F548-L552 HydrophobicContact CZ-CG 4.02Å; F548-L552 WeakPolarHBondContact O-CG 3.29Å; F548-L552 PolarHBondContact O-N 3.44Å; V549-L552 PolarHBondContact O-N 3.31Å; L552-G554 VanDerWaalsContact C-N 3.29Å; L552-G554 PolarHBondContact O-N 3.22Å; L552-V555 PolarHBondContact O-N 2.61Å; L552-V556 WeakPolarHBondContact O-CG2 3.39Å; L552-V556 PolarHBondContact O-N 2.86Å; L552-F572 HydrophobicContact CB-CD2 4.41Å; L552-F572 HydrophobicContact CD2-CD2 3.43Å; L552-F572 VanDerWaalsContact CD2-CD2 3.43Å; L552-F572 HydrophobicContact CD2-CE2 3.57Å; L552-F572 HydrophobicContact CD2-CG 4.16Å; L552-F572 HydrophobicContact CD2-CZ 4.37Å; L552-L575 HydrophobicContact CD1-CD2 4.09Å; L552-L575 HydrophobicContact CD1-CG 4.04Å; L552-L575 HydrophobicContact CD2-CD2 3.71Å; L552-L575 HydrophobicContact CD2-CG 4.48Å
553	L	95.4	Very high	92.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-38.4	176.4	-73	171.8	0	0	0	112.3	V549 F551 V556 E557 L576 E594 L595 V600 L603	V549-L553 HydrophobicContact CG1-CD1 4.02Å; V549-L553 HydrophobicContact CG1-CG 4.49Å; V549-L553 WeakPolarHBondContact O-CG 3.14Å; V549-L553 PolarHBondContact O-N 3.02Å; F551-L553 PolarHBondContact O-N 3.06Å; L553-V556 PolarHBondContact O-N 3.17Å; L553-E557 WeakPolarHBondContact O-CG 3.03Å; L553-E557 PolarHBondContact O-N 3.34Å; L553-L576 HydrophobicContact CD2-CD1 3.49Å; L553-L576 VanDerWaalsContact CD2-CD1 3.49Å; L553-L576 HydrophobicContact CG-CD1 3.92Å; L553-E594 HydrophobicContact CD1-CB 4.08Å; L553-L595 HydrophobicContact CD1-CD2 4.23Å; L553-L595 HydrophobicContact CD2-CD2 3.96Å; L553-V600 HydrophobicContact CD2-CG1 4.47Å; L553-L603 HydrophobicContact CD2-CD2 3.81Å
554	G	94.5	Very high	92.4	Very high	16 Å²	16	42.3 Å²	42.3	17%	0.165	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-42.8	176.4	0	0	0	0	0	112.4	R550 F551 L552 E557 D558	R550-G554 PolarHBondContact O-N 3.47Å; F551-G554 PolarHBondContact O-N 3.18Å; F551-G554 VanDerWaalsContact O-N 3.1Å; L552-G554 VanDerWaalsContact C-N 3.29Å; L552-G554 PolarHBondContact O-N 3.22Å; G554-E557 PolarHBondContact O-N 3.41Å; G554-D558 WeakPolarHBondContact O-CB 3.44Å; G554-D558 PolarHBondContact O-N 2.99Å
555	V	94.6	Very high	92.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-70.2	-34.7	177.3	177.3	0	0	0	0	112	F551 L552 G559 L560 L568 F572	F551-V555 HydrophobicContact CD2-CG2 4.34Å; F551-V555 HydrophobicContact CE2-CG2 3.91Å; F551-V555 HydrophobicContact CZ-CG2 4.06Å; F551-V555 PolarHBondContact O-N 3.42Å; L552-V555 PolarHBondContact O-N 2.61Å; V555-G559 WeakPolarHBondContact O-CA 3.41Å; V555-G559 PolarHBondContact O-N 2.98Å; V555-L560 HydrophobicContact CG1-CD1 4.46Å; V555-L560 HydrophobicContact CG1-CG 4.26Å; V555-L560 HydrophobicContact CG2-CD1 4.04Å; V555-L560 HydrophobicContact CG2-CD2 4.3Å; V555-L560 HydrophobicContact CG2-CG 3.95Å; V555-L568 HydrophobicContact CG1-CB 4.45Å; V555-L568 HydrophobicContact CG1-CD2 3.73Å; V555-L568 HydrophobicContact CG1-CG 3.9Å; V555-F572 HydrophobicContact CB-CD2 3.52Å; V555-F572 HydrophobicContact CB-CE2 3.8Å; V555-F572 HydrophobicContact CB-CG 4.32Å; V555-F572 HydrophobicContact CG1-CD2 3.62Å; V555-F572 HydrophobicContact CG1-CE2 3.89Å; V555-F572 HydrophobicContact CG1-CG 4Å; V555-F572 HydrophobicContact CG1-CZ 4.49Å; V555-F572 HydrophobicContact CG2-CD2 3.97Å; V555-F572 HydrophobicContact CG2-CE2 3.7Å
556	V	95.8	Very high	92.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-39.6	176.4	173.7	0	0	0	0	111.8	L552 L553 F572 L573 L603	L552-V556 WeakPolarHBondContact O-CG2 3.39Å; L552-V556 PolarHBondContact O-N 2.86Å; L553-V556 PolarHBondContact O-N 3.17Å; V556-F572 HydrophobicContact CG2-CB 3.84Å; V556-L573 HydrophobicContact CG2-CB 4.47Å; V556-L603 HydrophobicContact CG1-CB 4.16Å; V556-L603 HydrophobicContact CG1-CD1 4.05Å
557	E	94.6	Very high	92.1	Very high	45 Å²	45	53.3 Å²	53.3	21%	0.21	29%	0.29	C	S	.	.	H	α-helix	trans	-82.5	-49.2	-178.2	-67.3	-61.8	145	0	0	113.3	L553 G554 V600 K601 A602 L603	L553-E557 WeakPolarHBondContact O-CG 3.03Å; L553-E557 PolarHBondContact O-N 3.34Å; G554-E557 PolarHBondContact O-N 3.41Å; E557-V600 VanDerWaalsContact CD-CA 3.49Å; E557-V600 WeakPolarHBondContact OE1-CA 3.35Å; E557-K601 PolarHBondContact OE1-N 3.46Å; E557-K601 PolarHBondContact OE2-N 2.9Å; E557-A602 PolarHBondContact OE1-N 3.38Å; E557-A602 WeakPolarHBondContact OE2-CB 3.29Å; E557-A602 PolarHBondContact OE2-N 3.13Å; E557-L603 WeakPolarHBondContact OE1-CB 3.36Å; E557-L603 PolarHBondContact OE1-N 2.64Å
558	D	92.2	Very high	92.1	Very high	143 Å²	143	47.7 Å²	47.7	77%	0.765	26%	0.264	S	S	*	.	H	α-helix	trans	-101.7	-13.8	-169.2	-58.4	-48.3	0	0	0	112.9	G554	G554-D558 WeakPolarHBondContact O-CB 3.44Å; G554-D558 PolarHBondContact O-N 2.99Å
559	G	91.2	Very high	92.1	Very high	23 Å²	23	48.4 Å²	48.4	24%	0.237	27%	0.268	C	S	.	.			trans	67.8	-171.6	-170.8	0	0	0	0	0	113	V555	V555-G559 WeakPolarHBondContact O-CA 3.41Å; V555-G559 PolarHBondContact O-N 2.98Å
560	L	90	Very high	92.2	Very high	39 Å²	39	51.8 Å²	51.8	20%	0.204	29%	0.286	C	S	.	.			trans	-127.3	141.8	168.9	-75.7	178.5	0	0	0	110.2	M519 V555 S562 D563 L568	M519-L560 HydrophobicContact CE-CD1 3.73Å; M519-L560 HydrophobicContact SD-CD1 4.01Å; V555-L560 HydrophobicContact CG1-CD1 4.46Å; V555-L560 HydrophobicContact CG1-CG 4.26Å; V555-L560 HydrophobicContact CG2-CD1 4.04Å; V555-L560 HydrophobicContact CG2-CD2 4.3Å; V555-L560 HydrophobicContact CG2-CG 3.95Å; L560-S562 PolarHBondContact O-N 2.74Å; L560-D563 PolarHBondContact O-N 3.14Å; L560-L568 HydrophobicContact CB-CD2 4.39Å; L560-L568 HydrophobicContact CD1-CD2 3.61Å; L560-L568 HydrophobicContact CG-CD2 4.25Å
561	P	86.6	Confident	92.3	Very high	134 Å²	134	48.9 Å²	48.9	87%	0.87	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.2	176.1	28.4	-35.3	0	0	0	112.7	D563	P561-D563 VanDerWaalsContact C-N 3.28Å
562	S	85.7	Confident	92.4	Very high	23 Å²	23	46.9 Å²	46.9	16%	0.161	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-5.9	174.7	50.2	0	0	0	0	113.5	T513 L560 P564	T513-S562 WeakPolarHBondContact O-CB 3.44Å; T513-S562 PolarHBondContact O-OG 3.18Å; L560-S562 PolarHBondContact O-N 2.74Å; S562-P564 WeakPolarHBondContact O-CD 3.14Å
563	D	89.3	Confident	92.4	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	27%	0.269	C	S	.	.			trans	-97.8	95.8	176.6	-179.5	10.3	0	0	0	111.2	H516 L560 P561 T565 E566 Q567 L568	H516-D563 IonicContact CE1-OD1 3.84Å; H516-D563 PolarHBondContact CE1-OD1 2.9Å; H516-D563 IonicContact ND1-OD1 2.81Å; H516-D563 PolarHBondContact ND1-OD1 2.73Å; H516-D563 IonicContact NE2-OD1 3.48Å; L560-D563 PolarHBondContact O-N 3.14Å; P561-D563 VanDerWaalsContact C-N 3.28Å; D563-T565 PolarHBondContact O-N 3.31Å; D563-T565 WeakPolarHBondContact OD1-CA 3.46Å; D563-T565 PolarHBondContact OD1-N 3.12Å; D563-T565 PolarHBondContact OD1-OG1 3.37Å; D563-E566 VanDerWaalsContact CG-N 3.33Å; D563-E566 PolarHBondContact OD1-N 3.36Å; D563-E566 VanDerWaalsContact OD2-C 3.31Å; D563-E566 WeakPolarHBondContact OD2-CA 3.42Å; D563-E566 PolarHBondContact OD2-N 3.13Å; D563-Q567 PolarHBondContact OD2-N 3.11Å; D563-Q567 VanDerWaalsContact OD2-N 3.09Å; D563-L568 HydrophobicContact CB-CB 4.2Å; D563-L568 WeakPolarHBondContact OD2-CB 3.32Å; D563-L568 PolarHBondContact OD2-N 2.72Å
564	P	84.4	Confident	92.6	Very high	111 Å²	111	48.6 Å²	48.6	72%	0.721	28%	0.278	S	S	*	.	S	Bend	trans	-74.9	-13.2	176.7	32.1	-36.4	0	0	0	113.2	S562	S562-P564 WeakPolarHBondContact O-CD 3.14Å
565	T	88.1	Confident	92.8	Very high	64 Å²	64	47.8 Å²	47.8	39%	0.393	27%	0.27	S	S	.	.	S	Bend	trans	-100.8	-12.3	-172.5	64.8	0	0	0	0	113.6	H516 D563 Q567	H516-T565 PolarHBondContact CE1-OG1 3.26Å; H516-T565 PolarHBondContact NE2-OG1 3.17Å; D563-T565 PolarHBondContact O-N 3.31Å; D563-T565 WeakPolarHBondContact OD1-CA 3.46Å; D563-T565 PolarHBondContact OD1-N 3.12Å; D563-T565 PolarHBondContact OD1-OG1 3.37Å; T565-Q567 PolarHBondContact O-N 3.47Å; T565-Q567 WeakPolarHBondContact OG1-CB 3.46Å; T565-Q567 WeakPolarHBondContact OG1-CG 3.44Å; T565-Q567 PolarHBondContact OG1-N 2.94Å
566	E	89.4	Confident	92.9	Very high	157 Å²	157	47.7 Å²	47.7	73%	0.734	27%	0.269	S	S	*	.	S	Bend	trans	56.1	23	-172.9	-57.6	-178.7	179.5	0	0	113.5	D563	D563-E566 VanDerWaalsContact CG-N 3.33Å; D563-E566 PolarHBondContact OD1-N 3.36Å; D563-E566 VanDerWaalsContact OD2-C 3.31Å; D563-E566 WeakPolarHBondContact OD2-CA 3.42Å; D563-E566 PolarHBondContact OD2-N 3.13Å
567	Q	92.8	Very high	93	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	27%	0.268	S	S	.	.			trans	-85.1	-24.3	179.2	-67.7	178.8	4.7	0	0	112.7	D563 T565 D570 I571	D563-Q567 PolarHBondContact OD2-N 3.11Å; D563-Q567 VanDerWaalsContact OD2-N 3.09Å; T565-Q567 PolarHBondContact O-N 3.47Å; T565-Q567 WeakPolarHBondContact OG1-CB 3.46Å; T565-Q567 WeakPolarHBondContact OG1-CG 3.44Å; T565-Q567 PolarHBondContact OG1-N 2.94Å; Q567-D570 PolarHBondContact O-N 3.14Å; Q567-I571 HydrophobicContact CB-CD1 4.35Å; Q567-I571 WeakPolarHBondContact O-CG1 3.46Å; Q567-I571 PolarHBondContact O-N 3.09Å; Q567-I571 VanDerWaalsContact O-N 3.14Å
568	L	93.8	Very high	93.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-39	-173.6	-161.2	69.1	0	0	0	113.4	M519 V555 L560 D563 D570 I571 F572	M519-L568 HydrophobicContact CB-CD1 4.17Å; M519-L568 HydrophobicContact CE-CD2 4.04Å; M519-L568 HydrophobicContact SD-CD2 4.28Å; V555-L568 HydrophobicContact CG1-CB 4.45Å; V555-L568 HydrophobicContact CG1-CD2 3.73Å; V555-L568 HydrophobicContact CG1-CG 3.9Å; L560-L568 HydrophobicContact CB-CD2 4.39Å; L560-L568 HydrophobicContact CD1-CD2 3.61Å; L560-L568 HydrophobicContact CG-CD2 4.25Å; D563-L568 HydrophobicContact CB-CB 4.2Å; D563-L568 WeakPolarHBondContact OD2-CB 3.32Å; D563-L568 PolarHBondContact OD2-N 2.72Å; L568-D570 VanDerWaalsContact C-N 3.29Å; L568-D570 PolarHBondContact O-N 2.95Å; L568-I571 PolarHBondContact O-N 3.32Å; L568-F572 HydrophobicContact CD1-CD1 3.76Å; L568-F572 HydrophobicContact CD1-CE1 3.4Å; L568-F572 VanDerWaalsContact CD1-CE1 3.4Å; L568-F572 HydrophobicContact CD1-CZ 4.26Å; L568-F572 HydrophobicContact CD2-CE1 4.23Å; L568-F572 HydrophobicContact CD2-CZ 4.37Å; L568-F572 HydrophobicContact CG-CD1 3.79Å; L568-F572 HydrophobicContact CG-CE1 3.68Å; L568-F572 HydrophobicContact CG-CG 4.49Å; L568-F572 HydrophobicContact CG-CZ 4.28Å; L568-F572 WeakPolarHBondContact O-CB 3.29Å; L568-F572 WeakPolarHBondContact O-CD1 3.37Å; L568-F572 PolarHBondContact O-N 3.33Å
569	P	95.6	Very high	93.4	Very high	15 Å²	15	38.7 Å²	38.7	10%	0.097	22%	0.222	C	C	.	.	H	α-helix	trans	-56.2	-40.8	174.4	-27.5	36.7	0	0	0	113.3	L573	P569-L573 WeakPolarHBondContact O-CB 3.22Å; P569-L573 PolarHBondContact O-N 3.3Å
570	D	96	Very high	93.6	Very high	74 Å²	74	37.6 Å²	37.6	40%	0.396	21%	0.211	S	C	.	.	H	α-helix	trans	-72.9	-40	179.6	-67.2	-30.4	0	0	0	111.5	Q567 L568 F572 L573 N574 K606	Q567-D570 PolarHBondContact O-N 3.14Å; L568-D570 VanDerWaalsContact C-N 3.29Å; L568-D570 PolarHBondContact O-N 2.95Å; D570-F572 VanDerWaalsContact C-N 3.3Å; D570-F572 PolarHBondContact O-N 2.72Å; D570-L573 WeakPolarHBondContact O-CB 3.3Å; D570-L573 PolarHBondContact O-N 3.44Å; D570-N574 PolarHBondContact O-N 3.12Å; D570-N574 PolarHBondContact O-ND2 3.48Å; D570-N574 PolarHBondContact O-OD1 3.27Å; D570-K606 IonicContact OD1-NZ 3.45Å; D570-K606 PolarHBondContact OD1-NZ 2.99Å; D570-K606 IonicContact OD2-NZ 3.59Å
571	I	96.9	Very high	93.9	Very high	33 Å²	33	36.5 Å²	36.5	17%	0.169	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-40.2	175.3	-63	167.9	0	0	0	110.6	C520 A523 Q567 L568 N574 L575	C520-I571 HydrophobicContact CB-CD1 3.86Å; A523-I571 HydrophobicContact CB-CG2 3.61Å; Q567-I571 HydrophobicContact CB-CD1 4.35Å; Q567-I571 WeakPolarHBondContact O-CG1 3.46Å; Q567-I571 PolarHBondContact O-N 3.09Å; Q567-I571 VanDerWaalsContact O-N 3.14Å; L568-I571 PolarHBondContact O-N 3.32Å; I571-N574 WeakPolarHBondContact O-CB 3.31Å; I571-N574 PolarHBondContact O-N 3.33Å; I571-L575 PolarHBondContact O-N 2.95Å
572	F	97.3	Very high	94.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-73.3	-32.5	179.5	-86.2	41.8	0	0	0	112.3	L509 M519 A523 F551 L552 V555 V556 L568 D570 N574 L575 L576	L509-F572 HydrophobicContact CD2-CE1 4.4Å; L509-F572 HydrophobicContact CD2-CZ 4.17Å; M519-F572 HydrophobicContact CE-CZ 3.85Å; A523-F572 HydrophobicContact CB-CD1 3.95Å; A523-F572 HydrophobicContact CB-CE1 3.65Å; F551-F572 HydrophobicContact CD1-CE2 4.25Å; F551-F572 AromaticContact CE1-CE2 3.54Å; F551-F572 HydrophobicContact CE1-CE2 3.54Å; F551-F572 HydrophobicContact CE1-CZ 4.01Å; F551-F572 AromaticContact CZ-CE2 3.94Å; F551-F572 HydrophobicContact CZ-CE2 3.94Å; F551-F572 HydrophobicContact CZ-CZ 4.29Å; L552-F572 HydrophobicContact CB-CD2 4.41Å; L552-F572 HydrophobicContact CD2-CD2 3.43Å; L552-F572 VanDerWaalsContact CD2-CD2 3.43Å; L552-F572 HydrophobicContact CD2-CE2 3.57Å; L552-F572 HydrophobicContact CD2-CG 4.16Å; L552-F572 HydrophobicContact CD2-CZ 4.37Å; V555-F572 HydrophobicContact CB-CD2 3.52Å; V555-F572 HydrophobicContact CB-CE2 3.8Å; V555-F572 HydrophobicContact CB-CG 4.32Å; V555-F572 HydrophobicContact CG1-CD2 3.62Å; V555-F572 HydrophobicContact CG1-CE2 3.89Å; V555-F572 HydrophobicContact CG1-CG 4Å; V555-F572 HydrophobicContact CG1-CZ 4.49Å; V555-F572 HydrophobicContact CG2-CD2 3.97Å; V555-F572 HydrophobicContact CG2-CE2 3.7Å; V556-F572 HydrophobicContact CG2-CB 3.84Å; L568-F572 HydrophobicContact CD1-CD1 3.76Å; L568-F572 HydrophobicContact CD1-CE1 3.4Å; L568-F572 VanDerWaalsContact CD1-CE1 3.4Å; L568-F572 HydrophobicContact CD1-CZ 4.26Å; L568-F572 HydrophobicContact CD2-CE1 4.23Å; L568-F572 HydrophobicContact CD2-CZ 4.37Å; L568-F572 HydrophobicContact CG-CD1 3.79Å; L568-F572 HydrophobicContact CG-CE1 3.68Å; L568-F572 HydrophobicContact CG-CG 4.49Å; L568-F572 HydrophobicContact CG-CZ 4.28Å; L568-F572 WeakPolarHBondContact O-CB 3.29Å; L568-F572 WeakPolarHBondContact O-CD1 3.37Å; L568-F572 PolarHBondContact O-N 3.33Å; D570-F572 VanDerWaalsContact C-N 3.3Å; D570-F572 PolarHBondContact O-N 2.72Å; F572-N574 VanDerWaalsContact C-N 3.34Å; F572-L575 PolarHBondContact O-N 2.96Å; F572-L576 WeakPolarHBondContact O-CB 3.32Å; F572-L576 PolarHBondContact O-N 2.85Å
573	L	97.4	Very high	94.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-59.8	-46.8	168	175.5	55.3	0	0	0	110.7	V556 P569 D570 L575 L576 L577 L603 K606 V607 L610	V556-L573 HydrophobicContact CG2-CB 4.47Å; P569-L573 WeakPolarHBondContact O-CB 3.22Å; P569-L573 PolarHBondContact O-N 3.3Å; D570-L573 WeakPolarHBondContact O-CB 3.3Å; D570-L573 PolarHBondContact O-N 3.44Å; L573-L575 VanDerWaalsContact C-N 3.29Å; L573-L575 PolarHBondContact O-N 3.32Å; L573-L576 WeakPolarHBondContact O-CB 3.47Å; L573-L576 PolarHBondContact O-N 2.86Å; L573-L576 VanDerWaalsContact O-N 3.09Å; L573-L577 HydrophobicContact CD1-CD1 4.29Å; L573-L577 HydrophobicContact CD1-CG 4.17Å; L573-L577 HydrophobicContact CG-CD1 4.26Å; L573-L577 WeakPolarHBondContact O-CG 3.43Å; L573-L577 PolarHBondContact O-N 3.32Å; L573-L603 HydrophobicContact CD1-CD1 3.52Å; L573-K606 HydrophobicContact CD2-CB 3.55Å; L573-K606 HydrophobicContact CD2-CD 4.29Å; L573-V607 HydrophobicContact CD1-CG2 3.96Å; L573-L610 HydrophobicContact CD2-CD1 3.74Å; L573-L610 HydrophobicContact CG-CD1 4.27Å
574	N	98	Very high	94.5	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.193	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-40.2	177.5	-61.6	-13.3	0	0	0	111.5	T527 D570 I571 F572 L576 L577 A578 P617	T527-N574 HydrophobicContact CG2-CB 4.23Å; D570-N574 PolarHBondContact O-N 3.12Å; D570-N574 PolarHBondContact O-ND2 3.48Å; D570-N574 PolarHBondContact O-OD1 3.27Å; I571-N574 WeakPolarHBondContact O-CB 3.31Å; I571-N574 PolarHBondContact O-N 3.33Å; F572-N574 VanDerWaalsContact C-N 3.34Å; N574-L576 VanDerWaalsContact C-N 3.35Å; N574-L577 PolarHBondContact O-N 3.06Å; N574-A578 WeakPolarHBondContact O-CA 3.12Å; N574-A578 PolarHBondContact O-N 3.41Å; N574-P617 VanDerWaalsContact OD1-CB 3.24Å; N574-P617 WeakPolarHBondContact OD1-CB 3.12Å; N574-P617 WeakPolarHBondContact OD1-CG 3.5Å
575	L	98.3	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-37.8	174.2	175.6	57.1	0	0	0	112.5	L509 A523 L526 T527 F530 F548 L552 I571 F572 L573 A578 F579	L509-L575 HydrophobicContact CD1-CD2 4.03Å; A523-L575 HydrophobicContact CB-CD2 4.1Å; L526-L575 HydrophobicContact CB-CD1 3.83Å; L526-L575 HydrophobicContact CD2-CD1 3.83Å; L526-L575 HydrophobicContact CD2-CD2 4.04Å; L526-L575 HydrophobicContact CG-CD1 3.63Å; T527-L575 VanDerWaalsContact OG1-CA 3.26Å; T527-L575 WeakPolarHBondContact OG1-CA 3.3Å; T527-L575 WeakPolarHBondContact OG1-CB 3.28Å; T527-L575 PolarHBondContact OG1-N 2.85Å; F530-L575 HydrophobicContact CD2-CD1 4.16Å; F548-L575 HydrophobicContact CZ-CD2 4.2Å; L552-L575 HydrophobicContact CD1-CD2 4.09Å; L552-L575 HydrophobicContact CD1-CG 4.04Å; L552-L575 HydrophobicContact CD2-CD2 3.71Å; L552-L575 HydrophobicContact CD2-CG 4.48Å; I571-L575 PolarHBondContact O-N 2.95Å; F572-L575 PolarHBondContact O-N 2.96Å; L573-L575 VanDerWaalsContact C-N 3.29Å; L573-L575 PolarHBondContact O-N 3.32Å; L575-A578 CarbonylContact O-C 3.57Å; L575-A578 VanDerWaalsContact O-CA 3.31Å; L575-A578 WeakPolarHBondContact O-CA 3Å; L575-A578 PolarHBondContact O-N 2.85Å; L575-F579 WeakPolarHBondContact O-CB 3.47Å; L575-F579 PolarHBondContact O-N 3.43Å
576	L	97.6	Very high	94.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-67.6	-42.5	177.2	-172.7	148.9	0	0	0	111.3	L553 F572 L573 N574 F579 N580 I591 F634	L553-L576 HydrophobicContact CD2-CD1 3.49Å; L553-L576 VanDerWaalsContact CD2-CD1 3.49Å; L553-L576 HydrophobicContact CG-CD1 3.92Å; F572-L576 WeakPolarHBondContact O-CB 3.32Å; F572-L576 PolarHBondContact O-N 2.85Å; L573-L576 WeakPolarHBondContact O-CB 3.47Å; L573-L576 PolarHBondContact O-N 2.86Å; L573-L576 VanDerWaalsContact O-N 3.09Å; N574-L576 VanDerWaalsContact C-N 3.35Å; L576-F579 PolarHBondContact O-N 2.9Å; L576-N580 WeakPolarHBondContact O-CB 3.26Å; L576-N580 PolarHBondContact O-N 3.5Å; L576-I591 HydrophobicContact CD1-CG2 4.43Å; L576-I591 HydrophobicContact CD2-CD1 4.42Å; L576-I591 HydrophobicContact CD2-CG2 4.01Å; L576-I591 HydrophobicContact CG-CD1 4.33Å; L576-I591 HydrophobicContact CG-CG2 4.3Å; L576-F634 HydrophobicContact CD2-CD2 4.07Å; L576-F634 HydrophobicContact CD2-CE2 3.49Å; L576-F634 VanDerWaalsContact CD2-CE2 3.49Å; L576-F634 HydrophobicContact CD2-CZ 4.05Å
577	L	98.1	Very high	94.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-47.3	173.1	-65.2	174.3	0	0	0	111.2	L573 N574 N580 L581 L610 P617 V618 V631 F634	L573-L577 HydrophobicContact CD1-CD1 4.29Å; L573-L577 HydrophobicContact CD1-CG 4.17Å; L573-L577 HydrophobicContact CG-CD1 4.26Å; L573-L577 WeakPolarHBondContact O-CG 3.43Å; L573-L577 PolarHBondContact O-N 3.32Å; N574-L577 PolarHBondContact O-N 3.06Å; L577-N580 WeakPolarHBondContact O-CB 3.31Å; L577-N580 PolarHBondContact O-N 3.48Å; L577-N580 VanDerWaalsContact O-N 3.14Å; L577-L581 PolarHBondContact O-N 2.91Å; L577-L610 HydrophobicContact CD1-CD1 3.89Å; L577-P617 HydrophobicContact CD1-CG 3.86Å; L577-V618 HydrophobicContact CB-CG2 3.69Å; L577-V631 HydrophobicContact CD1-CG2 3.93Å; L577-F634 HydrophobicContact CD2-CB 3.58Å; L577-F634 HydrophobicContact CD2-CD1 4.05Å; L577-F634 HydrophobicContact CD2-CD2 4.14Å; L577-F634 HydrophobicContact CD2-CG 3.65Å
578	A	97.7	Very high	94.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-21.4	-79.6	153.4	0	0	0	0	0	114.2	T527 F530 N574 L575 N580 L581 V618	T527-A578 HydrophobicContact CG2-CB 4.04Å; F530-A578 HydrophobicContact CB-CB 4.01Å; N574-A578 WeakPolarHBondContact O-CA 3.12Å; N574-A578 PolarHBondContact O-N 3.41Å; L575-A578 CarbonylContact O-C 3.57Å; L575-A578 VanDerWaalsContact O-CA 3.31Å; L575-A578 WeakPolarHBondContact O-CA 3Å; L575-A578 PolarHBondContact O-N 2.85Å; A578-N580 PolarHBondContact O-N 2.89Å; A578-L581 HydrophobicContact CB-CD1 4.36Å; A578-L581 PolarHBondContact O-N 3.47Å; A578-V618 HydrophobicContact CB-CB 4.1Å; A578-V618 HydrophobicContact CB-CG1 3.24Å; A578-V618 HydrophobicContact CB-CG2 3.71Å
579	F	96.9	Very high	94.4	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-29.3	-175.6	-169.9	-121.6	0	0	0	111.5	F530 Y541 L544 V549 L575 L576 L581 H582 H583 I591	F530-F579 HydrophobicContact CD1-CD2 4.35Å; F530-F579 HydrophobicContact CD2-CB 4.41Å; F530-F579 HydrophobicContact CD2-CD2 4.1Å; F530-F579 HydrophobicContact CE1-CD2 4.12Å; F530-F579 HydrophobicContact CE1-CE2 4.4Å; F530-F579 AromaticContact CE2-CD2 3.81Å; F530-F579 HydrophobicContact CE2-CD2 3.81Å; F530-F579 HydrophobicContact CE2-CE2 4.48Å; F530-F579 HydrophobicContact CG-CD2 4.37Å; F530-F579 AromaticContact CZ-CD2 3.86Å; F530-F579 HydrophobicContact CZ-CD2 3.86Å; F530-F579 HydrophobicContact CZ-CE2 4.14Å; Y541-F579 HydrophobicContact CE1-CZ 4.16Å; L544-F579 HydrophobicContact CB-CE2 4.18Å; L544-F579 HydrophobicContact CB-CZ 4.02Å; L544-F579 HydrophobicContact CD1-CE2 3.98Å; L544-F579 HydrophobicContact CG-CE2 4.49Å; V549-F579 HydrophobicContact CG2-CD1 4.47Å; V549-F579 HydrophobicContact CG2-CE1 4.1Å; L575-F579 WeakPolarHBondContact O-CB 3.47Å; L575-F579 PolarHBondContact O-N 3.43Å; L576-F579 PolarHBondContact O-N 2.9Å; F579-L581 VanDerWaalsContact C-N 3.31Å; F579-L581 PolarHBondContact O-N 2.78Å; F579-H582 AromaticContact CD2-CE1 3.56Å; F579-H582 AromaticContact CE2-CE1 3.36Å; F579-H582 WeakPolarHBondContact CE2-CE1 3.29Å; F579-H582 AromaticContact CZ-CE1 3.78Å; F579-H582 PolarHBondContact O-CE1 2.93Å; F579-H582 PolarHBondContact O-ND1 3.49Å; F579-H583 AromaticContact CE1-NE2 3.85Å; F579-I591 HydrophobicContact CD1-CD1 3.92Å; F579-I591 HydrophobicContact CD1-CG1 4.14Å
580	N	96.9	Very high	94.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-29.4	178.6	-166.2	66.4	0	0	0	113.8	L576 L577 A578 H582 H583 N589 I591 K633 F634 D637	L576-N580 WeakPolarHBondContact O-CB 3.26Å; L576-N580 PolarHBondContact O-N 3.5Å; L577-N580 WeakPolarHBondContact O-CB 3.31Å; L577-N580 PolarHBondContact O-N 3.48Å; L577-N580 VanDerWaalsContact O-N 3.14Å; A578-N580 PolarHBondContact O-N 2.89Å; N580-H582 VanDerWaalsContact C-N 3.3Å; N580-H582 PolarHBondContact O-N 2.59Å; N580-H583 PolarHBondContact O-N 3.33Å; N580-H583 VanDerWaalsContact O-N 3.17Å; N580-N589 PolarHBondContact OD1-ND2 3.35Å; N580-I591 HydrophobicContact CB-CD1 3.63Å; N580-K633 WeakPolarHBondContact ND2-CD 3.3Å; N580-K633 PolarHBondContact ND2-NZ 3.26Å; N580-K633 PolarHBondContact O-NZ 2.86Å; N580-F634 HydrophobicContact CB-CD2 4.16Å; N580-F634 WeakPolarHBondContact ND2-CA 3.3Å; N580-D637 PolarHBondContact ND2-OD2 2.67Å; N580-D637 PolarHBondContact OD1-OD2 3.19Å
581	L	95.3	Very high	94	Very high	15 Å²	15	26.6 Å²	26.6	8%	0.079	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.8	-172.7	-77.3	179	0	0	0	113.8	L577 A578 F579 H583 V618	L577-L581 PolarHBondContact O-N 2.91Å; A578-L581 HydrophobicContact CB-CD1 4.36Å; A578-L581 PolarHBondContact O-N 3.47Å; F579-L581 VanDerWaalsContact C-N 3.31Å; F579-L581 PolarHBondContact O-N 2.78Å; L581-H583 VanDerWaalsContact C-N 3.31Å; L581-H583 PolarHBondContact O-N 2.86Å; L581-V618 HydrophobicContact CD1-CG1 3.64Å
582	H	93.1	Very high	93.9	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.9	-175.8	78.2	-82	0	0	0	114.2	G533 E534 Q535 V536 Y541 F579 N580 T584	G533-H582 WeakPolarHBondContact O-CA 3.35Å; E534-H582 WeakPolarHBondContact O-CB 3.4Å; Q535-H582 PolarHBondContact NE2-O 3.42Å; V536-H582 HydrophobicContact CG2-CB 4.38Å; Y541-H582 AromaticContact CZ-NE2 3.81Å; Y541-H582 PolarHBondContact OH-CD2 2.88Å; Y541-H582 PolarHBondContact OH-NE2 3.29Å; F579-H582 AromaticContact CD2-CE1 3.56Å; F579-H582 AromaticContact CE2-CE1 3.36Å; F579-H582 WeakPolarHBondContact CE2-CE1 3.29Å; F579-H582 AromaticContact CZ-CE1 3.78Å; F579-H582 PolarHBondContact O-CE1 2.93Å; F579-H582 PolarHBondContact O-ND1 3.49Å; N580-H582 VanDerWaalsContact C-N 3.3Å; N580-H582 PolarHBondContact O-N 2.59Å; H582-T584 PolarHBondContact O-N 3.46Å
583	H	91.9	Very high	93.7	Very high	16 Å²	16	28.8 Å²	28.8	7%	0.074	17%	0.168	C	C	.	.			trans	-75.4	107.6	179.5	-70.2	-53.2	0	0	0	110.7	F579 N580 L581 N589 K633	F579-H583 AromaticContact CE1-NE2 3.85Å; N580-H583 PolarHBondContact O-N 3.33Å; N580-H583 VanDerWaalsContact O-N 3.17Å; L581-H583 VanDerWaalsContact C-N 3.31Å; L581-H583 PolarHBondContact O-N 2.86Å; H583-N589 HydrophobicContact CB-CB 4.17Å; H583-N589 VanDerWaalsContact CD2-CG 3.48Å; H583-N589 PolarHBondContact CD2-OD1 2.83Å; H583-K633 WeakPolarHBondContact O-CE 3.45Å; H583-K633 PolarHBondContact O-NZ 3.31Å
584	T	89.9	Confident	93.4	Very high	109 Å²	109	29.4 Å²	29.4	67%	0.669	17%	0.171	S	C	*	.			trans	-82.8	-22.2	-178.9	51.2	0	0	0	0	113.8	H582	H582-T584 PolarHBondContact O-N 3.46Å
585	V	90.8	Very high	93.1	Very high	67 Å²	67	27.7 Å²	27.7	41%	0.406	16%	0.162	S	C	.	.			trans	-121	114	-176.3	-175.8	0	0	0	0	109.8	S587 N588 N589	V585-S587 VanDerWaalsContact C-N 3.27Å; V585-S587 VanDerWaalsContact CG1-OG 3.25Å; V585-S587 WeakPolarHBondContact CG1-OG 3.13Å; V585-S587 PolarHBondContact O-N 2.79Å; V585-N588 PolarHBondContact O-N 2.79Å; V585-N589 PolarHBondContact O-N 2.85Å
586	P	88.6	Confident	92.5	Very high	40 Å²	40	31.4 Å²	31.4	26%	0.26	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-59.1	-32.4	-177.6	-25.7	32.9	0	0	0	114.4	N588 N589 D637 A640	P586-N588 VanDerWaalsContact C-N 3.33Å; P586-N588 PolarHBondContact O-N 3.4Å; P586-N589 VanDerWaalsContact O-CB 3.28Å; P586-N589 WeakPolarHBondContact O-CB 3.25Å; P586-N589 PolarHBondContact O-N 3.28Å; P586-D637 HydrophobicContact CB-CB 4.46Å; P586-A640 HydrophobicContact CB-CB 3.58Å; P586-A640 HydrophobicContact CG-CB 3.7Å
587	S	86.9	Confident	91.3	Very high	74 Å²	74	38.5 Å²	38.5	52%	0.517	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-68.5	-29.1	-179.2	57.3	0	0	0	0	113.8	V585 Q593	V585-S587 VanDerWaalsContact C-N 3.27Å; V585-S587 VanDerWaalsContact CG1-OG 3.25Å; V585-S587 WeakPolarHBondContact CG1-OG 3.13Å; V585-S587 PolarHBondContact O-N 2.79Å; S587-Q593 PolarHBondContact O-NE2 3.48Å
588	N	87.9	Confident	90	Very high	135 Å²	135	42.2 Å²	42.2	72%	0.722	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-97	4.8	178.1	-71.6	-2.1	0	0	0	112.6	V585 P586 A590	V585-N588 PolarHBondContact O-N 2.79Å; P586-N588 VanDerWaalsContact C-N 3.33Å; P586-N588 PolarHBondContact O-N 3.4Å; N588-A590 PolarHBondContact O-N 2.76Å
589	N	91.3	Very high	89.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.			trans	-76.9	118.4	-176.5	-175.5	-27.4	0	0	0	110.2	N580 H583 V585 P586 I591 M592 Q593	N580-N589 PolarHBondContact OD1-ND2 3.35Å; H583-N589 HydrophobicContact CB-CB 4.17Å; H583-N589 VanDerWaalsContact CD2-CG 3.48Å; H583-N589 PolarHBondContact CD2-OD1 2.83Å; V585-N589 PolarHBondContact O-N 2.85Å; P586-N589 VanDerWaalsContact O-CB 3.28Å; P586-N589 WeakPolarHBondContact O-CB 3.25Å; P586-N589 PolarHBondContact O-N 3.28Å; N589-I591 PolarHBondContact O-N 2.94Å; N589-I591 WeakPolarHBondContact OD1-CA 3.41Å; N589-I591 VanDerWaalsContact OD1-CB 3.27Å; N589-I591 WeakPolarHBondContact OD1-CB 3.05Å; N589-I591 PolarHBondContact OD1-N 2.67Å; N589-M592 HydrophobicContact CB-CB 4Å; N589-M592 HydrophobicContact CB-CG 3.7Å; N589-M592 PolarHBondContact O-N 3.2Å; N589-M592 PolarHBondContact OD1-N 2.88Å; N589-Q593 WeakPolarHBondContact O-CG 3.18Å; N589-Q593 PolarHBondContact O-N 3.43Å; N589-Q593 VanDerWaalsContact O-N 3.09Å
590	A	90.6	Very high	88.9	Confident	25 Å²	25	47.9 Å²	47.9	21%	0.207	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-35.1	-179.3	0	0	0	0	0	112.2	V549 N588 Q593 E594	V549-A590 HydrophobicContact CG2-CB 4.39Å; N588-A590 PolarHBondContact O-N 2.76Å; A590-Q593 PolarHBondContact O-N 2.77Å; A590-E594 WeakPolarHBondContact O-CG 3.47Å; A590-E594 PolarHBondContact O-N 2.89Å
591	I	93.8	Very high	88.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-49.5	176.1	-55.4	170.3	0	0	0	109.8	V549 L576 F579 N580 N589 Q593 E594 L595 F634	V549-I591 HydrophobicContact CG1-CB 4.44Å; V549-I591 HydrophobicContact CG1-CG1 4.23Å; V549-I591 HydrophobicContact CG2-CG1 4.28Å; L576-I591 HydrophobicContact CD1-CG2 4.43Å; L576-I591 HydrophobicContact CD2-CD1 4.42Å; L576-I591 HydrophobicContact CD2-CG2 4.01Å; L576-I591 HydrophobicContact CG-CD1 4.33Å; L576-I591 HydrophobicContact CG-CG2 4.3Å; F579-I591 HydrophobicContact CD1-CD1 3.92Å; F579-I591 HydrophobicContact CD1-CG1 4.14Å; N580-I591 HydrophobicContact CB-CD1 3.63Å; N589-I591 PolarHBondContact O-N 2.94Å; N589-I591 WeakPolarHBondContact OD1-CA 3.41Å; N589-I591 VanDerWaalsContact OD1-CB 3.27Å; N589-I591 WeakPolarHBondContact OD1-CB 3.05Å; N589-I591 PolarHBondContact OD1-N 2.67Å; I591-Q593 VanDerWaalsContact C-N 3.28Å; I591-Q593 PolarHBondContact O-N 3.13Å; I591-E594 PolarHBondContact O-N 3.2Å; I591-E594 VanDerWaalsContact O-N 3.13Å; I591-L595 HydrophobicContact CG2-CD1 4.14Å; I591-L595 HydrophobicContact CG2-CG 4.27Å; I591-L595 WeakPolarHBondContact O-CG 3.46Å; I591-L595 PolarHBondContact O-N 2.73Å; I591-F634 HydrophobicContact CG2-CE2 4.02Å
592	M	94.7	Very high	88.5	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-34.8	-179.2	-60.3	-57.3	136.7	0	0	112.4	N589 L595 K596 F634 D637 V638 T644	N589-M592 HydrophobicContact CB-CB 4Å; N589-M592 HydrophobicContact CB-CG 3.7Å; N589-M592 PolarHBondContact O-N 3.2Å; N589-M592 PolarHBondContact OD1-N 2.88Å; M592-L595 HydrophobicContact CE-CD1 4.17Å; M592-L595 HydrophobicContact SD-CD1 3.93Å; M592-K596 WeakPolarHBondContact O-CG 3.41Å; M592-F634 HydrophobicContact CE-CD2 3.84Å; M592-F634 HydrophobicContact CE-CE2 3.69Å; M592-F634 HydrophobicContact CE-CZ 4.49Å; M592-D637 HydrophobicContact CE-CB 3.57Å; M592-D637 HydrophobicContact CG-CB 4.26Å; M592-D637 HydrophobicContact SD-CB 3.91Å; M592-V638 HydrophobicContact CE-CG2 4.01Å; M592-V638 HydrophobicContact SD-CG2 3.86Å; M592-T644 HydrophobicContact CB-CG2 4.22Å; M592-T644 WeakPolarHBondContact O-CG2 3.34Å; M592-T644 HydrophobicContact SD-CG2 4.49Å
593	Q	92.1	Very high	88.6	Confident	74 Å²	74	53 Å²	53	35%	0.346	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-35.6	176.3	-64.1	-59.9	-13.7	0	0	112.9	S587 N589 A590 I591	S587-Q593 PolarHBondContact O-NE2 3.48Å; N589-Q593 WeakPolarHBondContact O-CG 3.18Å; N589-Q593 PolarHBondContact O-N 3.43Å; N589-Q593 VanDerWaalsContact O-N 3.09Å; A590-Q593 PolarHBondContact O-N 2.77Å; I591-Q593 VanDerWaalsContact C-N 3.28Å; I591-Q593 PolarHBondContact O-N 3.13Å
594	E	92.3	Very high	88.8	Confident	15 Å²	15	52.3 Å²	52.3	7%	0.07	28%	0.281	C	S	.	.	H	α-helix	trans	-77.6	-32.2	178.1	-68.5	-63.4	162.4	0	0	112.5	A546 V549 R550 L553 A590 I591 K596 Q597	A546-E594 WeakPolarHBondContact CB-OE1 3.06Å; V549-E594 HydrophobicContact CB-CG 4.29Å; V549-E594 HydrophobicContact CG1-CB 3.88Å; V549-E594 HydrophobicContact CG1-CG 3.93Å; R550-E594 WeakPolarHBondContact CD-OE2 3.36Å; R550-E594 VanDerWaalsContact CG-CD 3.46Å; R550-E594 HydrophobicContact CG-CG 4.1Å; R550-E594 WeakPolarHBondContact CG-OE2 3.48Å; R550-E594 IonicContact CZ-OE1 3.79Å; R550-E594 IonicContact NE-OE1 3.4Å; R550-E594 PolarHBondContact NE-OE1 3.02Å; R550-E594 VanDerWaalsContact NE-OE1 3.09Å; R550-E594 IonicContact NE-OE2 3.18Å; R550-E594 PolarHBondContact NE-OE2 2.84Å; R550-E594 IonicContact NH2-OE1 2.94Å; L553-E594 HydrophobicContact CD1-CB 4.08Å; A590-E594 WeakPolarHBondContact O-CG 3.47Å; A590-E594 PolarHBondContact O-N 2.89Å; I591-E594 PolarHBondContact O-N 3.2Å; I591-E594 VanDerWaalsContact O-N 3.13Å; E594-K596 PolarHBondContact O-N 2.59Å; E594-Q597 PolarHBondContact O-N 2.98Å
595	L	91.3	Very high	89	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-30.4	175.4	-71.8	177.6	0	0	0	113	L553 I591 M592 Q597 V600 L603 F634 V638 T644 I647	L553-L595 HydrophobicContact CD1-CD2 4.23Å; L553-L595 HydrophobicContact CD2-CD2 3.96Å; I591-L595 HydrophobicContact CG2-CD1 4.14Å; I591-L595 HydrophobicContact CG2-CG 4.27Å; I591-L595 WeakPolarHBondContact O-CG 3.46Å; I591-L595 PolarHBondContact O-N 2.73Å; M592-L595 HydrophobicContact CE-CD1 4.17Å; M592-L595 HydrophobicContact SD-CD1 3.93Å; L595-Q597 PolarHBondContact O-N 3.45Å; L595-V600 HydrophobicContact CD2-CB 4.47Å; L595-V600 HydrophobicContact CD2-CG1 4.01Å; L595-V600 HydrophobicContact CD2-CG2 4.17Å; L595-L603 HydrophobicContact CD2-CD2 3.54Å; L595-F634 HydrophobicContact CD1-CE2 4.19Å; L595-F634 HydrophobicContact CD1-CZ 3.88Å; L595-V638 HydrophobicContact CD1-CG2 4.02Å; L595-T644 HydrophobicContact CB-CG2 4.49Å; L595-I647 HydrophobicContact CD1-CD1 4.35Å
596	K	85.8	Confident	89.2	Confident	77 Å²	77	50.6 Å²	50.6	34%	0.335	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.4	177.7	-66.9	174	-177.6	-164.8	0	113.7	M592 E594 E643 T644	M592-K596 WeakPolarHBondContact O-CG 3.41Å; E594-K596 PolarHBondContact O-N 2.59Å; K596-E643 HydrophobicContact CD-CB 4.28Å; K596-E643 VanDerWaalsContact CD-OE2 3.28Å; K596-E643 WeakPolarHBondContact CD-OE2 3.5Å; K596-E643 WeakPolarHBondContact CE-OE2 3.33Å; K596-E643 HydrophobicContact CG-CB 4.11Å; K596-E643 IonicContact NZ-OE2 2.71Å; K596-E643 PolarHBondContact NZ-OE2 2.94Å; K596-T644 HydrophobicContact CG-CG2 3.77Å
597	Q	70.6	Confident	89.6	Confident	151 Å²	151	48.7 Å²	48.7	71%	0.706	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-7.3	-167.7	-59.5	-176.8	23.6	0	0	113.3	E594 L595	E594-Q597 PolarHBondContact O-N 2.98Å; L595-Q597 PolarHBondContact O-N 3.45Å
598	K	72.2	Confident	90	Very high	78 Å²	78	45.8 Å²	45.8	34%	0.339	23%	0.226	S	C	.	.	S	Bend	trans	-123.9	149.2	-171.7	-74.7	-167	172.4	-167.9	0	113	R550 V600	R550-K598 PolarHBondContact O-NZ 2.91Å; R550-K598 VanDerWaalsContact O-NZ 3.12Å; K598-V600 HydrophobicContact CB-CG1 3.87Å
599	N	80.6	Confident	90.4	Very high	117 Å²	117	44.3 Å²	44.3	63%	0.626	22%	0.218	S	C	*	.			trans	-78.8	115	162.3	-172	9.4	0	0	0	107.9
600	V	89.8	Confident	90.7	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	22%	0.224	C	C	.	.			trans	-121.9	58.5	-170.3	-71.5	0	0	0	0	111.2	L553 E557 L595 K598 L603 T604 I647	L553-V600 HydrophobicContact CD2-CG1 4.47Å; E557-V600 VanDerWaalsContact CD-CA 3.49Å; E557-V600 WeakPolarHBondContact OE1-CA 3.35Å; L595-V600 HydrophobicContact CD2-CB 4.47Å; L595-V600 HydrophobicContact CD2-CG1 4.01Å; L595-V600 HydrophobicContact CD2-CG2 4.17Å; K598-V600 HydrophobicContact CB-CG1 3.87Å; V600-L603 HydrophobicContact CB-CB 4.09Å; V600-L603 HydrophobicContact CB-CD2 3.98Å; V600-L603 HydrophobicContact CG1-CD2 4.35Å; V600-L603 HydrophobicContact CG2-CD2 4.32Å; V600-T604 HydrophobicContact CG2-CG2 4.4Å; V600-T604 WeakPolarHBondContact O-CG2 3.42Å; V600-T604 PolarHBondContact O-N 2.71Å; V600-T604 PolarHBondContact O-OG1 3.38Å; V600-I647 HydrophobicContact CG2-CB 3.7Å; V600-I647 HydrophobicContact CG2-CD1 4.07Å; V600-I647 HydrophobicContact CG2-CG1 4.35Å; V600-I647 HydrophobicContact CG2-CG2 3.79Å
601	K	91.9	Very high	91	Very high	103 Å²	103	44.3 Å²	44.3	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-74.2	-45.3	-170.8	-176.9	-175.7	168.5	-169.7	0	111.9	E557 L603 T604 E605 Y649	E557-K601 PolarHBondContact OE1-N 3.46Å; E557-K601 PolarHBondContact OE2-N 2.9Å; K601-L603 VanDerWaalsContact C-N 3.28Å; K601-L603 PolarHBondContact O-N 3.43Å; K601-T604 PolarHBondContact O-N 2.9Å; K601-T604 PolarHBondContact O-OG1 3.45Å; K601-E605 WeakPolarHBondContact CE-OE1 3.42Å; K601-E605 IonicContact NZ-OE1 3.84Å; K601-E605 WeakPolarHBondContact O-CG 3.4Å; K601-E605 PolarHBondContact O-N 3.08Å; K601-E605 VanDerWaalsContact O-N 3.13Å; K601-Y649 HydrophobicContact CG-CE2 4.38Å
602	A	93.3	Very high	91.1	Very high	23 Å²	23	48.2 Å²	48.2	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-37.4	-179.6	0	0	0	0	0	110.8	E557 K606	E557-A602 PolarHBondContact OE1-N 3.38Å; E557-A602 WeakPolarHBondContact OE2-CB 3.29Å; E557-A602 PolarHBondContact OE2-N 3.13Å; A602-K606 WeakPolarHBondContact O-CB 3.25Å; A602-K606 VanDerWaalsContact O-CG 3.26Å; A602-K606 WeakPolarHBondContact O-CG 3.49Å; A602-K606 PolarHBondContact O-N 3.21Å
603	L	95.4	Very high	91.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-52.9	174.1	178.7	72.3	0	0	0	111.4	L553 V556 E557 L573 L595 V600 K601 E605 K606 V607 F634	L553-L603 HydrophobicContact CD2-CD2 3.81Å; V556-L603 HydrophobicContact CG1-CB 4.16Å; V556-L603 HydrophobicContact CG1-CD1 4.05Å; E557-L603 WeakPolarHBondContact OE1-CB 3.36Å; E557-L603 PolarHBondContact OE1-N 2.64Å; L573-L603 HydrophobicContact CD1-CD1 3.52Å; L595-L603 HydrophobicContact CD2-CD2 3.54Å; V600-L603 HydrophobicContact CB-CB 4.09Å; V600-L603 HydrophobicContact CB-CD2 3.98Å; V600-L603 HydrophobicContact CG1-CD2 4.35Å; V600-L603 HydrophobicContact CG2-CD2 4.32Å; K601-L603 VanDerWaalsContact C-N 3.28Å; K601-L603 PolarHBondContact O-N 3.43Å; L603-E605 PolarHBondContact O-N 3.4Å; L603-K606 PolarHBondContact O-N 3.23Å; L603-V607 HydrophobicContact CD1-CG2 4.2Å; L603-V607 HydrophobicContact CG-CG2 4.37Å; L603-V607 WeakPolarHBondContact O-CB 3.49Å; L603-V607 VanDerWaalsContact O-CG2 3.24Å; L603-V607 WeakPolarHBondContact O-CG2 3.36Å; L603-V607 PolarHBondContact O-N 2.76Å; L603-F634 HydrophobicContact CD2-CZ 4.36Å
604	T	94.8	Very high	91	Very high	1 Å²	1	54 Å²	54	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-40.8	-176.6	52.5	0	0	0	0	111.8	V600 K601 L608 I647 F648	V600-T604 HydrophobicContact CG2-CG2 4.4Å; V600-T604 WeakPolarHBondContact O-CG2 3.42Å; V600-T604 PolarHBondContact O-N 2.71Å; V600-T604 PolarHBondContact O-OG1 3.38Å; K601-T604 PolarHBondContact O-N 2.9Å; K601-T604 PolarHBondContact O-OG1 3.45Å; T604-L608 WeakPolarHBondContact O-CB 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.42Å; T604-L608 PolarHBondContact O-N 3.14Å; T604-I647 HydrophobicContact CG2-CB 4.3Å; T604-I647 HydrophobicContact CG2-CD1 4.01Å; T604-I647 HydrophobicContact CG2-CG1 3.79Å; T604-F648 HydrophobicContact CG2-CD1 3.8Å; T604-F648 HydrophobicContact CG2-CE1 3.64Å; T604-F648 HydrophobicContact CG2-CE2 4.44Å; T604-F648 HydrophobicContact CG2-CG 4.27Å; T604-F648 HydrophobicContact CG2-CZ 3.97Å
605	E	94.9	Very high	90.7	Very high	88 Å²	88	58.5 Å²	58.5	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-60.8	-47.9	174.3	-72.4	178.9	179.7	0	0	111.7	K601 L603 L608 L609	K601-E605 WeakPolarHBondContact CE-OE1 3.42Å; K601-E605 IonicContact NZ-OE1 3.84Å; K601-E605 WeakPolarHBondContact O-CG 3.4Å; K601-E605 PolarHBondContact O-N 3.08Å; K601-E605 VanDerWaalsContact O-N 3.13Å; L603-E605 PolarHBondContact O-N 3.4Å; E605-L608 PolarHBondContact O-N 3.32Å; E605-L609 WeakPolarHBondContact O-CG 3.41Å; E605-L609 PolarHBondContact O-N 3.21Å
606	K	95.3	Very high	90.9	Very high	52 Å²	52	60 Å²	60	23%	0.226	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-41.1	179.4	-72.8	174.4	177.8	-71.1	0	112.6	D570 L573 A602 L603 L608 L609 L610	D570-K606 IonicContact OD1-NZ 3.45Å; D570-K606 PolarHBondContact OD1-NZ 2.99Å; D570-K606 IonicContact OD2-NZ 3.59Å; L573-K606 HydrophobicContact CD2-CB 3.55Å; L573-K606 HydrophobicContact CD2-CD 4.29Å; A602-K606 WeakPolarHBondContact O-CB 3.25Å; A602-K606 VanDerWaalsContact O-CG 3.26Å; A602-K606 WeakPolarHBondContact O-CG 3.49Å; A602-K606 PolarHBondContact O-N 3.21Å; L603-K606 PolarHBondContact O-N 3.23Å; K606-L608 VanDerWaalsContact C-N 3.31Å; K606-L608 PolarHBondContact O-N 2.93Å; K606-L609 WeakPolarHBondContact O-CB 3.35Å; K606-L609 PolarHBondContact O-N 2.85Å; K606-L610 WeakPolarHBondContact O-CG 3.4Å; K606-L610 PolarHBondContact O-N 3.24Å
607	V	96.7	Very high	91.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-40	175.7	170.1	0	0	0	0	110.8	L573 L603 L610 L611 V631 F634 L635	L573-V607 HydrophobicContact CD1-CG2 3.96Å; L603-V607 HydrophobicContact CD1-CG2 4.2Å; L603-V607 HydrophobicContact CG-CG2 4.37Å; L603-V607 WeakPolarHBondContact O-CB 3.49Å; L603-V607 VanDerWaalsContact O-CG2 3.24Å; L603-V607 WeakPolarHBondContact O-CG2 3.36Å; L603-V607 PolarHBondContact O-N 2.76Å; V607-L610 PolarHBondContact O-N 3.42Å; V607-L611 WeakPolarHBondContact O-CB 3.26Å; V607-L611 PolarHBondContact O-N 2.81Å; V607-V631 HydrophobicContact CG1-CG1 4.15Å; V607-F634 HydrophobicContact CG1-CD1 4.3Å; V607-F634 HydrophobicContact CG1-CE1 4.48Å; V607-F634 HydrophobicContact CG2-CD1 4.39Å; V607-F634 HydrophobicContact CG2-CE1 4.1Å; V607-L635 HydrophobicContact CG1-CD1 4.29Å; V607-L635 HydrophobicContact CG1-CD2 3.63Å; V607-L635 HydrophobicContact CG1-CG 3.99Å
608	L	95.7	Very high	92.4	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.068	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-37.3	174.3	-77.6	175.3	0	0	0	113	T604 E605 K606 L611 N612 F648 D652 M656	T604-L608 WeakPolarHBondContact O-CB 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.42Å; T604-L608 PolarHBondContact O-N 3.14Å; E605-L608 PolarHBondContact O-N 3.32Å; K606-L608 VanDerWaalsContact C-N 3.31Å; K606-L608 PolarHBondContact O-N 2.93Å; L608-L611 HydrophobicContact CD2-CD2 4.37Å; L608-L611 PolarHBondContact O-N 3.45Å; L608-N612 WeakPolarHBondContact O-CB 3.48Å; L608-N612 PolarHBondContact O-N 3.03Å; L608-F648 HydrophobicContact CD1-CD1 4.42Å; L608-F648 HydrophobicContact CD1-CE1 4.31Å; L608-F648 HydrophobicContact CG-CE1 4.13Å; L608-D652 HydrophobicContact CD1-CB 3.69Å; L608-M656 HydrophobicContact CD2-CB 3.76Å; L608-M656 HydrophobicContact CD2-CE 3.71Å; L608-M656 HydrophobicContact CD2-CG 3.98Å
609	L	96.2	Very high	93.3	Very high	104 Å²	104	50.9 Å²	50.9	55%	0.545	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-43.4	173.8	-71.7	171.2	0	0	0	111.5	E605 K606 N612 R613	E605-L609 WeakPolarHBondContact O-CG 3.41Å; E605-L609 PolarHBondContact O-N 3.21Å; K606-L609 WeakPolarHBondContact O-CB 3.35Å; K606-L609 PolarHBondContact O-N 2.85Å; L609-N612 PolarHBondContact O-N 2.96Å; L609-R613 WeakPolarHBondContact O-CG 3.37Å; L609-R613 PolarHBondContact O-N 2.62Å; L609-R613 VanDerWaalsContact O-N 3.12Å
610	L	96.7	Very high	93.7	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.126	25%	0.247	C	C	.	.	H	α-helix	trans	-62.8	-46.7	175.1	-68.7	174.2	0	0	0	111.5	L573 L577 K606 V607 N612 R613 G614 P617 V631	L573-L610 HydrophobicContact CD2-CD1 3.74Å; L573-L610 HydrophobicContact CG-CD1 4.27Å; L577-L610 HydrophobicContact CD1-CD1 3.89Å; K606-L610 WeakPolarHBondContact O-CG 3.4Å; K606-L610 PolarHBondContact O-N 3.24Å; V607-L610 PolarHBondContact O-N 3.42Å; L610-N612 VanDerWaalsContact C-N 3.28Å; L610-N612 PolarHBondContact O-N 2.96Å; L610-R613 PolarHBondContact O-N 3.19Å; L610-G614 PolarHBondContact O-N 2.88Å; L610-P617 HydrophobicContact CD1-CG 4.02Å; L610-P617 HydrophobicContact CD2-CG 4.28Å; L610-V631 HydrophobicContact CB-CG1 4.43Å; L610-V631 HydrophobicContact CB-CG2 4.02Å; L610-V631 HydrophobicContact CD1-CG2 4.2Å
611	L	96.5	Very high	93.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-41.2	176.6	-172.8	69.4	0	0	0	111.8	V607 L608 R613 G614 V631 L632 L635 M656 I659 Y677	V607-L611 WeakPolarHBondContact O-CB 3.26Å; V607-L611 PolarHBondContact O-N 2.81Å; L608-L611 HydrophobicContact CD2-CD2 4.37Å; L608-L611 PolarHBondContact O-N 3.45Å; L611-R613 VanDerWaalsContact C-N 3.35Å; L611-R613 PolarHBondContact O-N 2.9Å; L611-G614 PolarHBondContact O-N 3.14Å; L611-V631 HydrophobicContact CB-CG1 4.29Å; L611-V631 HydrophobicContact CD1-CG1 4.38Å; L611-L632 HydrophobicContact CD1-CD2 3.54Å; L611-L632 HydrophobicContact CD1-CG 4.4Å; L611-L635 HydrophobicContact CB-CD1 4.49Å; L611-L635 HydrophobicContact CD1-CD1 3.87Å; L611-L635 HydrophobicContact CD2-CD1 3.76Å; L611-L635 HydrophobicContact CG-CD1 4.24Å; L611-M656 HydrophobicContact CD2-CG 3.78Å; L611-I659 HydrophobicContact CD2-CB 4.42Å; L611-I659 HydrophobicContact CD2-CD1 4.42Å; L611-I659 HydrophobicContact CD2-CG2 4.14Å; L611-I659 HydrophobicContact CG-CG2 3.92Å; L611-Y677 HydrophobicContact CD1-CE1 3.78Å; L611-Y677 HydrophobicContact CG-CE1 4.49Å
612	N	95.8	Very high	93.6	Very high	83 Å²	83	55 Å²	55	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-68	-34.2	179.7	-170.2	43.1	0	0	0	112.7	L608 L609 L610 G614 I659 R662	L608-N612 WeakPolarHBondContact O-CB 3.48Å; L608-N612 PolarHBondContact O-N 3.03Å; L609-N612 PolarHBondContact O-N 2.96Å; L610-N612 VanDerWaalsContact C-N 3.28Å; L610-N612 PolarHBondContact O-N 2.96Å; N612-G614 VanDerWaalsContact C-N 3.31Å; N612-I659 HydrophobicContact CB-CD1 3.74Å; N612-I659 HydrophobicContact CB-CG1 4.34Å; N612-R662 PolarHBondContact OD1-NH2 3.33Å
613	R	94.9	Very high	93.5	Very high	169 Å²	169	55.6 Å²	55.6	64%	0.638	28%	0.275	S	S	*	.	H	α-helix	trans	-71.2	-27.1	173.5	-70.2	-178.8	-175.4	-176.3	3.2	112.5	L609 L610 L611 E615	L609-R613 WeakPolarHBondContact O-CG 3.37Å; L609-R613 PolarHBondContact O-N 2.62Å; L609-R613 VanDerWaalsContact O-N 3.12Å; L610-R613 PolarHBondContact O-N 3.19Å; L611-R613 VanDerWaalsContact C-N 3.35Å; L611-R613 PolarHBondContact O-N 2.9Å; R613-E615 HydrophobicContact CB-CB 4.32Å; R613-E615 HydrophobicContact CB-CG 4.09Å; R613-E615 PolarHBondContact O-N 3.42Å
614	G	89.9	Confident	93	Very high	30 Å²	30	61 Å²	61	31%	0.309	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	19.8	-175	0	0	0	0	0	112.9	L610 L611 N612	L610-G614 PolarHBondContact O-N 2.88Å; L611-G614 PolarHBondContact O-N 3.14Å; N612-G614 VanDerWaalsContact C-N 3.31Å
615	E	87	Confident	92.7	Very high	111 Å²	111	65.5 Å²	65.5	52%	0.519	34%	0.337	S	S	.	.			trans	-94.9	137.6	178.8	-68.9	173.2	173	0	0	109.6	R613 P617	R613-E615 HydrophobicContact CB-CB 4.32Å; R613-E615 HydrophobicContact CB-CG 4.09Å; R613-E615 PolarHBondContact O-N 3.42Å; E615-P617 WeakPolarHBondContact O-CD 3.49Å
616	D	94.2	Very high	92.1	Very high	33 Å²	33	66.2 Å²	66.2	18%	0.176	35%	0.35	C	S	.	.			trans	-97.5	105.2	169.5	-170.1	-14.6	0	0	0	109.9	V618 C619 H629 S630	D616-V618 PolarHBondContact O-N 3.43Å; D616-V618 WeakPolarHBondContact OD1-CB 3.36Å; D616-V618 PolarHBondContact OD1-N 2.68Å; D616-C619 HydrophobicContact CB-CB 3.84Å; D616-C619 PolarHBondContact O-N 2.62Å; D616-H629 WeakPolarHBondContact OD2-CA 3.35Å; D616-H629 IonicContact OD2-CG 3.31Å; D616-H629 IonicContact OD2-ND1 3.64Å; D616-S630 WeakPolarHBondContact OD1-CB 3.34Å; D616-S630 PolarHBondContact OD1-OG 3.28Å; D616-S630 PolarHBondContact OD2-N 3.35Å
617	P	94.1	Very high	91.8	Very high	31 Å²	31	65.8 Å²	65.8	20%	0.201	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13	-178.5	31.6	-37.1	0	0	0	113.4	N574 L577 L610 E615 M620	N574-P617 VanDerWaalsContact OD1-CB 3.24Å; N574-P617 WeakPolarHBondContact OD1-CB 3.12Å; N574-P617 WeakPolarHBondContact OD1-CG 3.5Å; L577-P617 HydrophobicContact CD1-CG 3.86Å; L610-P617 HydrophobicContact CD1-CG 4.02Å; L610-P617 HydrophobicContact CD2-CG 4.28Å; E615-P617 WeakPolarHBondContact O-CD 3.49Å; P617-M620 WeakPolarHBondContact O-CE 3.43Å
618	V	95.5	Very high	91.5	Very high	1 Å²	1	69 Å²	69	1%	0.006	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-22.5	179.4	173.2	0	0	0	0	111.8	L577 A578 L581 D616 M620 S630	L577-V618 HydrophobicContact CB-CG2 3.69Å; A578-V618 HydrophobicContact CB-CB 4.1Å; A578-V618 HydrophobicContact CB-CG1 3.24Å; A578-V618 HydrophobicContact CB-CG2 3.71Å; L581-V618 HydrophobicContact CD1-CG1 3.64Å; D616-V618 PolarHBondContact O-N 3.43Å; D616-V618 WeakPolarHBondContact OD1-CB 3.36Å; D616-V618 PolarHBondContact OD1-N 2.68Å; V618-M620 PolarHBondContact O-N 2.94Å; V618-S630 WeakPolarHBondContact CG2-OG 3.41Å
619	C	90.6	Very high	91.5	Very high	81 Å²	81	69.2 Å²	69.2	55%	0.547	37%	0.373	S	S	.	.			trans	-75.1	70.3	179.7	-168.7	0	0	0	0	111.2	D616	D616-C619 HydrophobicContact CB-CB 3.84Å; D616-C619 PolarHBondContact O-N 2.62Å
620	M	89.1	Confident	91.6	Very high	62 Å²	62	64.2 Å²	64.2	31%	0.305	35%	0.347	S	S	.	.			trans	-84.8	-24	-177.3	-60.9	-178.4	-174	0	0	113	L524 T527 M528 P617 V618	L524-M620 HydrophobicContact CD1-CE 3.9Å; L524-M620 HydrophobicContact CD1-SD 4.12Å; T527-M620 HydrophobicContact CG2-CE 3.5Å; T527-M620 VanDerWaalsContact CG2-CE 3.5Å; M528-M620 HydrophobicContact CE-SD 4.15Å; M528-M620 HydrophobicContact CG-SD 3.58Å; M528-M620 VanDerWaalsContact CG-SD 3.58Å; P617-M620 WeakPolarHBondContact O-CE 3.43Å; V618-M620 PolarHBondContact O-N 2.94Å
621	F	90.8	Very high	91.6	Very high	35 Å²	35	63.1 Å²	63.1	15%	0.154	34%	0.341	C	S	.	.			trans	-129.7	151.3	-172.6	-50.1	-59.9	0	0	0	111.9	C486 I493 M528 H623	C486-F621 HydrophobicContact CB-CE2 3.81Å; C486-F621 HydrophobicContact CB-CZ 3.62Å; I493-F621 HydrophobicContact CD1-CD2 3.78Å; I493-F621 HydrophobicContact CD1-CE2 3.97Å; M528-F621 HydrophobicContact CB-CE2 3.82Å; M528-F621 HydrophobicContact CB-CZ 4.03Å; M528-F621 HydrophobicContact CE-CZ 4.22Å; M528-F621 HydrophobicContact CG-CE2 3.88Å; M528-F621 HydrophobicContact CG-CZ 3.69Å; M528-F621 HydrophobicContact SD-CZ 3.94Å; F621-H623 WeakPolarHBondContact CB-CD2 3.41Å; F621-H623 AromaticContact CD2-CD2 3.97Å; F621-H623 AromaticContact CG-CD2 3.81Å; F621-H623 AromaticContact CG-NE2 3.75Å; F621-H623 PolarHBondContact O-N 3.27Å
622	K	87.6	Confident	91.6	Very high	213 Å²	213	63 Å²	63	93%	0.926	34%	0.341	S	S	*	.			trans	-94.5	38.6	177.4	-61	-177.1	-178.1	178.8	0	111.9
623	H	90.8	Very high	91.7	Very high	34 Å²	34	60.1 Å²	60.1	16%	0.157	32%	0.324	C	S	.	.			trans	-75.9	156.9	-178.3	-70.6	-30.3	0	0	0	111.4	C486 A490 I493 M532 F621	C486-H623 PolarHBondContact O-NE2 2.96Å; A490-H623 HydrophobicContact CB-CB 3.93Å; I493-H623 VanDerWaalsContact CD1-CD2 3.49Å; I493-H623 WeakPolarHBondContact CD1-CD2 3.26Å; M532-H623 HydrophobicContact CE-CB 3.73Å; M532-H623 HydrophobicContact SD-CB 3.68Å; F621-H623 WeakPolarHBondContact CB-CD2 3.41Å; F621-H623 AromaticContact CD2-CD2 3.97Å; F621-H623 AromaticContact CG-CD2 3.81Å; F621-H623 AromaticContact CG-NE2 3.75Å; F621-H623 PolarHBondContact O-N 3.27Å
624	T	86.6	Confident	91.8	Very high	115 Å²	115	52.1 Å²	52.1	71%	0.706	29%	0.294	S	S	*	.	S	Bend	trans	-109.9	141.1	175.4	54.2	0	0	0	0	110.3
625	P	87.3	Confident	92.1	Very high	95 Å²	95	50.7 Å²	50.7	62%	0.617	28%	0.279	S	S	*	.	S	Bend	cis	-74.9	156.3	1.6	31.7	-35.8	0	0	0	113.2	V627	P625-V627 PolarHBondContact O-N 3.31Å
626	P	82.8	Confident	92.6	Very high	104 Å²	104	47.2 Å²	47.2	68%	0.675	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-65	134.7	174.1	28.6	-33.9	0	0	0	110.2
627	V	89.1	Confident	92.7	Very high	42 Å²	42	46.2 Å²	46.2	26%	0.255	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-89.3	154.1	177.6	-65.3	0	0	0	0	111.6	M532 P625	M532-V627 VanDerWaalsContact O-CG1 3.28Å; M532-V627 WeakPolarHBondContact O-CG1 3.13Å; P625-V627 PolarHBondContact O-N 3.31Å
628	P	91.1	Very high	92.8	Very high	67 Å²	67	44.7 Å²	44.7	44%	0.435	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-59.3	151.6	171	-21	32.9	0	0	0	111.5	S630 K633	P628-S630 PolarHBondContact O-N 3.12Å; P628-S630 VanDerWaalsContact O-N 3.17Å; P628-K633 HydrophobicContact CB-CB 4.37Å; P628-K633 HydrophobicContact CB-CG 4.41Å
629	H	95.3	Very high	92.8	Very high	18 Å²	18	44.7 Å²	44.7	8%	0.083	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-62.5	119.2	177	-173.9	-47.7	0	0	0	110.1	D616 V631 L632 K633 L673	D616-H629 WeakPolarHBondContact OD2-CA 3.35Å; D616-H629 IonicContact OD2-CG 3.31Å; D616-H629 IonicContact OD2-ND1 3.64Å; H629-V631 PolarHBondContact ND1-N 3.42Å; H629-V631 PolarHBondContact O-N 2.97Å; H629-L632 HydrophobicContact CB-CB 4.21Å; H629-L632 HydrophobicContact CB-CD1 4.04Å; H629-L632 HydrophobicContact CB-CG 4.37Å; H629-L632 PolarHBondContact O-N 3.43Å; H629-K633 WeakPolarHBondContact O-CB 3.41Å; H629-K633 PolarHBondContact O-N 2.94Å; H629-L673 HydrophobicContact CB-CD2 4.12Å
630	S	96.9	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-43.6	-167.7	70.8	0	0	0	0	113.8	D616 V618 P628 F634	D616-S630 WeakPolarHBondContact OD1-CB 3.34Å; D616-S630 PolarHBondContact OD1-OG 3.28Å; D616-S630 PolarHBondContact OD2-N 3.35Å; V618-S630 WeakPolarHBondContact CG2-OG 3.41Å; P628-S630 PolarHBondContact O-N 3.12Å; P628-S630 VanDerWaalsContact O-N 3.17Å; S630-F634 VanDerWaalsContact O-CB 3.26Å; S630-F634 WeakPolarHBondContact O-CB 3.47Å; S630-F634 PolarHBondContact O-N 2.92Å
631	V	97.7	Very high	93.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-48.3	177.3	-176.4	0	0	0	0	112	L577 V607 L610 L611 H629 F634 L635	L577-V631 HydrophobicContact CD1-CG2 3.93Å; V607-V631 HydrophobicContact CG1-CG1 4.15Å; L610-V631 HydrophobicContact CB-CG1 4.43Å; L610-V631 HydrophobicContact CB-CG2 4.02Å; L610-V631 HydrophobicContact CD1-CG2 4.2Å; L611-V631 HydrophobicContact CB-CG1 4.29Å; L611-V631 HydrophobicContact CD1-CG1 4.38Å; H629-V631 PolarHBondContact ND1-N 3.42Å; H629-V631 PolarHBondContact O-N 2.97Å; V631-F634 PolarHBondContact O-N 2.97Å; V631-L635 HydrophobicContact CG1-CD1 4.21Å; V631-L635 WeakPolarHBondContact O-CG 3.45Å; V631-L635 PolarHBondContact O-N 3.28Å
632	L	96.9	Very high	93.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-44.1	179.9	-70.2	171.6	0	0	0	111	L611 H629 F634 L635 Q636 L673 E676 Y677 L680	L611-L632 HydrophobicContact CD1-CD2 3.54Å; L611-L632 HydrophobicContact CD1-CG 4.4Å; H629-L632 HydrophobicContact CB-CB 4.21Å; H629-L632 HydrophobicContact CB-CD1 4.04Å; H629-L632 HydrophobicContact CB-CG 4.37Å; H629-L632 PolarHBondContact O-N 3.43Å; L632-F634 VanDerWaalsContact C-N 3.35Å; L632-F634 PolarHBondContact O-N 2.85Å; L632-L635 PolarHBondContact O-N 3Å; L632-Q636 VanDerWaalsContact O-CG 3.28Å; L632-Q636 WeakPolarHBondContact O-CG 3.42Å; L632-Q636 PolarHBondContact O-N 3.37Å; L632-L673 HydrophobicContact CD1-CD2 4.32Å; L632-E676 HydrophobicContact CB-CB 4.3Å; L632-E676 HydrophobicContact CD1-CB 3.59Å; L632-E676 HydrophobicContact CD1-CG 4.45Å; L632-E676 HydrophobicContact CG-CB 4.47Å; L632-Y677 HydrophobicContact CD1-CD2 4.2Å; L632-Y677 HydrophobicContact CD1-CE2 3.93Å; L632-Y677 HydrophobicContact CD2-CD1 3.88Å; L632-Y677 HydrophobicContact CD2-CE1 3.7Å; L632-Y677 HydrophobicContact CD2-CE2 4.43Å; L632-Y677 HydrophobicContact CD2-CG 4.34Å; L632-L680 HydrophobicContact CD2-CD2 3.87Å
633	K	96.4	Very high	93.5	Very high	21 Å²	21	43.5 Å²	43.5	9%	0.091	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-46	175	-168.3	-81.3	-178.3	-170.5	0	111.1	N580 H583 P628 H629 L635 Q636 D637	N580-K633 WeakPolarHBondContact ND2-CD 3.3Å; N580-K633 PolarHBondContact ND2-NZ 3.26Å; N580-K633 PolarHBondContact O-NZ 2.86Å; H583-K633 WeakPolarHBondContact O-CE 3.45Å; H583-K633 PolarHBondContact O-NZ 3.31Å; P628-K633 HydrophobicContact CB-CB 4.37Å; P628-K633 HydrophobicContact CB-CG 4.41Å; H629-K633 WeakPolarHBondContact O-CB 3.41Å; H629-K633 PolarHBondContact O-N 2.94Å; K633-L635 PolarHBondContact O-N 3.42Å; K633-Q636 PolarHBondContact O-N 3.41Å; K633-D637 WeakPolarHBondContact CE-OD2 3.43Å; K633-D637 IonicContact NZ-OD1 3.65Å; K633-D637 IonicContact NZ-OD2 2.61Å; K633-D637 PolarHBondContact NZ-OD2 2.68Å; K633-D637 PolarHBondContact O-N 3.42Å
634	F	97.4	Very high	93.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-46	175.9	176.4	-96.8	0	0	0	112.3	L576 L577 N580 I591 M592 L595 L603 V607 S630 V631 L632 D637 V638	L576-F634 HydrophobicContact CD2-CD2 4.07Å; L576-F634 HydrophobicContact CD2-CE2 3.49Å; L576-F634 VanDerWaalsContact CD2-CE2 3.49Å; L576-F634 HydrophobicContact CD2-CZ 4.05Å; L577-F634 HydrophobicContact CD2-CB 3.58Å; L577-F634 HydrophobicContact CD2-CD1 4.05Å; L577-F634 HydrophobicContact CD2-CD2 4.14Å; L577-F634 HydrophobicContact CD2-CG 3.65Å; N580-F634 HydrophobicContact CB-CD2 4.16Å; N580-F634 WeakPolarHBondContact ND2-CA 3.3Å; I591-F634 HydrophobicContact CG2-CE2 4.02Å; M592-F634 HydrophobicContact CE-CD2 3.84Å; M592-F634 HydrophobicContact CE-CE2 3.69Å; M592-F634 HydrophobicContact CE-CZ 4.49Å; L595-F634 HydrophobicContact CD1-CE2 4.19Å; L595-F634 HydrophobicContact CD1-CZ 3.88Å; L603-F634 HydrophobicContact CD2-CZ 4.36Å; V607-F634 HydrophobicContact CG1-CD1 4.3Å; V607-F634 HydrophobicContact CG1-CE1 4.48Å; V607-F634 HydrophobicContact CG2-CD1 4.39Å; V607-F634 HydrophobicContact CG2-CE1 4.1Å; S630-F634 VanDerWaalsContact O-CB 3.26Å; S630-F634 WeakPolarHBondContact O-CB 3.47Å; S630-F634 PolarHBondContact O-N 2.92Å; V631-F634 PolarHBondContact O-N 2.97Å; L632-F634 VanDerWaalsContact C-N 3.35Å; L632-F634 PolarHBondContact O-N 2.85Å; F634-D637 PolarHBondContact O-N 3.34Å; F634-V638 HydrophobicContact CD1-CG2 4.2Å; F634-V638 HydrophobicContact CE1-CG2 3.77Å; F634-V638 HydrophobicContact CE2-CG2 4.37Å; F634-V638 HydrophobicContact CZ-CG2 3.87Å; F634-V638 WeakPolarHBondContact O-CG2 3.31Å; F634-V638 PolarHBondContact O-N 2.95Å
635	L	97.2	Very high	93.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-42.7	177.5	-71	173.1	0	0	0	112	V607 L611 V631 L632 K633 D637 V638 F639 F648 M656 L680	V607-L635 HydrophobicContact CG1-CD1 4.29Å; V607-L635 HydrophobicContact CG1-CD2 3.63Å; V607-L635 HydrophobicContact CG1-CG 3.99Å; L611-L635 HydrophobicContact CB-CD1 4.49Å; L611-L635 HydrophobicContact CD1-CD1 3.87Å; L611-L635 HydrophobicContact CD2-CD1 3.76Å; L611-L635 HydrophobicContact CG-CD1 4.24Å; V631-L635 HydrophobicContact CG1-CD1 4.21Å; V631-L635 WeakPolarHBondContact O-CG 3.45Å; V631-L635 PolarHBondContact O-N 3.28Å; L632-L635 PolarHBondContact O-N 3Å; K633-L635 PolarHBondContact O-N 3.42Å; L635-D637 VanDerWaalsContact C-N 3.28Å; L635-D637 PolarHBondContact O-N 3.16Å; L635-V638 WeakPolarHBondContact O-CB 3.44Å; L635-V638 PolarHBondContact O-N 3.05Å; L635-V638 VanDerWaalsContact O-N 3.09Å; L635-F639 HydrophobicContact CB-CD2 4.47Å; L635-F639 HydrophobicContact CB-CE2 4.49Å; L635-F639 HydrophobicContact CD2-CE2 4.26Å; L635-F639 WeakPolarHBondContact O-CD2 3.5Å; L635-F639 PolarHBondContact O-N 2.8Å; L635-F648 HydrophobicContact CD2-CE2 3.93Å; L635-F648 HydrophobicContact CD2-CZ 3.58Å; L635-M656 HydrophobicContact CD1-CE 4.5Å; L635-M656 HydrophobicContact CD1-SD 4.49Å; L635-M656 HydrophobicContact CD2-CE 3.73Å; L635-M656 HydrophobicContact CD2-SD 4.4Å; L635-L680 HydrophobicContact CB-CD1 3.63Å; L635-L680 HydrophobicContact CB-CD2 4.42Å; L635-L680 HydrophobicContact CD1-CD2 4.08Å
636	Q	96.3	Very high	94.1	Very high	38 Å²	38	37.6 Å²	37.6	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-41.1	175	-71.9	168.7	17.1	0	0	111.6	L632 K633 F639 A640 E676 L680	L632-Q636 VanDerWaalsContact O-CG 3.28Å; L632-Q636 WeakPolarHBondContact O-CG 3.42Å; L632-Q636 PolarHBondContact O-N 3.37Å; K633-Q636 PolarHBondContact O-N 3.41Å; Q636-F639 CarbonylContact O-C 3.47Å; Q636-F639 PolarHBondContact O-N 3.16Å; Q636-A640 PolarHBondContact O-N 2.85Å; Q636-E676 PolarHBondContact NE2-O 3.39Å; Q636-E676 VanDerWaalsContact NE2-O 3.12Å; Q636-E676 PolarHBondContact NE2-OE2 3.27Å; Q636-L680 HydrophobicContact CG-CB 4.31Å
637	D	96.6	Very high	94.6	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-41.3	173.9	-67.6	-24.5	0	0	0	112.4	N580 P586 M592 K633 F634 L635 F639 A640	N580-D637 PolarHBondContact ND2-OD2 2.67Å; N580-D637 PolarHBondContact OD1-OD2 3.19Å; P586-D637 HydrophobicContact CB-CB 4.46Å; M592-D637 HydrophobicContact CE-CB 3.57Å; M592-D637 HydrophobicContact CG-CB 4.26Å; M592-D637 HydrophobicContact SD-CB 3.91Å; K633-D637 WeakPolarHBondContact CE-OD2 3.43Å; K633-D637 IonicContact NZ-OD1 3.65Å; K633-D637 IonicContact NZ-OD2 2.61Å; K633-D637 PolarHBondContact NZ-OD2 2.68Å; K633-D637 PolarHBondContact O-N 3.42Å; F634-D637 PolarHBondContact O-N 3.34Å; L635-D637 VanDerWaalsContact C-N 3.28Å; L635-D637 PolarHBondContact O-N 3.16Å; D637-F639 VanDerWaalsContact C-N 3.31Å; D637-F639 PolarHBondContact O-N 3.04Å; D637-A640 VanDerWaalsContact O-CB 3.24Å; D637-A640 WeakPolarHBondContact O-CB 3.29Å; D637-A640 PolarHBondContact O-N 2.87Å; D637-A640 VanDerWaalsContact O-N 3.15Å
638	V	96.1	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.3	-41.7	176.7	171.2	0	0	0	0	110.8	M592 L595 F634 L635 A640 T644 A645 I647 F648	M592-V638 HydrophobicContact CE-CG2 4.01Å; M592-V638 HydrophobicContact SD-CG2 3.86Å; L595-V638 HydrophobicContact CD1-CG2 4.02Å; F634-V638 HydrophobicContact CD1-CG2 4.2Å; F634-V638 HydrophobicContact CE1-CG2 3.77Å; F634-V638 HydrophobicContact CE2-CG2 4.37Å; F634-V638 HydrophobicContact CZ-CG2 3.87Å; F634-V638 WeakPolarHBondContact O-CG2 3.31Å; F634-V638 PolarHBondContact O-N 2.95Å; L635-V638 WeakPolarHBondContact O-CB 3.44Å; L635-V638 PolarHBondContact O-N 3.05Å; L635-V638 VanDerWaalsContact O-N 3.09Å; V638-A640 VanDerWaalsContact C-N 3.27Å; V638-A640 PolarHBondContact O-N 3Å; V638-T644 WeakPolarHBondContact CG1-O 3.44Å; V638-T644 CarbonylContact O-C 3.57Å; V638-T644 VanDerWaalsContact O-CB 3.29Å; V638-T644 WeakPolarHBondContact O-CB 3.29Å; V638-T644 PolarHBondContact O-OG1 2.76Å; V638-A645 PolarHBondContact O-N 3.39Å; V638-I647 HydrophobicContact CG1-CD1 3.77Å; V638-I647 HydrophobicContact CG1-CG1 4.21Å; V638-I647 HydrophobicContact CG2-CD1 4.36Å; V638-F648 HydrophobicContact CG1-CD2 4.3Å; V638-F648 HydrophobicContact CG1-CE2 3.86Å
639	F	96.2	Very high	94.9	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	6	177.5	-67.5	-68.8	0	0	0	114	L635 Q636 D637 S641 A645 F648 M653 M656 L680 I684 S687 T688	L635-F639 HydrophobicContact CB-CD2 4.47Å; L635-F639 HydrophobicContact CB-CE2 4.49Å; L635-F639 HydrophobicContact CD2-CE2 4.26Å; L635-F639 WeakPolarHBondContact O-CD2 3.5Å; L635-F639 PolarHBondContact O-N 2.8Å; Q636-F639 CarbonylContact O-C 3.47Å; Q636-F639 PolarHBondContact O-N 3.16Å; D637-F639 VanDerWaalsContact C-N 3.31Å; D637-F639 PolarHBondContact O-N 3.04Å; F639-S641 VanDerWaalsContact C-N 3.28Å; F639-A645 HydrophobicContact CD1-CB 3.66Å; F639-A645 HydrophobicContact CE1-CB 3.95Å; F639-F648 HydrophobicContact CE1-CD2 4.26Å; F639-F648 HydrophobicContact CE2-CD2 4.3Å; F639-F648 HydrophobicContact CE2-CE2 4.07Å; F639-F648 AromaticContact CZ-CD2 3.61Å; F639-F648 HydrophobicContact CZ-CD2 3.61Å; F639-F648 AromaticContact CZ-CE2 3.85Å; F639-F648 HydrophobicContact CZ-CE2 3.85Å; F639-F648 HydrophobicContact CZ-CG 4.41Å; F639-M653 HydrophobicContact CE1-CE 3.52Å; F639-M653 HydrophobicContact CE1-SD 3.59Å; F639-M653 VanDerWaalsContact CE1-SD 3.59Å; F639-M653 HydrophobicContact CZ-CE 3.74Å; F639-M653 HydrophobicContact CZ-SD 3.57Å; F639-M653 VanDerWaalsContact CZ-SD 3.57Å; F639-M656 HydrophobicContact CD2-SD 4.4Å; F639-M656 HydrophobicContact CE2-CE 3.7Å; F639-M656 HydrophobicContact CE2-SD 3.27Å; F639-M656 WeakPolarHBondContact CE2-SD 3.24Å; F639-M656 HydrophobicContact CZ-CE 3.72Å; F639-M656 HydrophobicContact CZ-SD 3.51Å; F639-M656 VanDerWaalsContact CZ-SD 3.51Å; F639-L680 HydrophobicContact CD2-CD1 3.7Å; F639-L680 HydrophobicContact CE2-CD1 4.14Å; F639-I684 HydrophobicContact CD1-CG1 4Å; F639-I684 HydrophobicContact CD2-CG1 3.82Å; F639-I684 HydrophobicContact CE1-CG1 4.08Å; F639-I684 HydrophobicContact CE2-CD1 4.42Å; F639-I684 HydrophobicContact CE2-CG1 3.93Å; F639-I684 HydrophobicContact CG-CG1 3.89Å; F639-I684 HydrophobicContact CZ-CG1 4.05Å; F639-S687 WeakPolarHBondContact CB-OG 3.4Å; F639-S687 WeakPolarHBondContact CD1-OG 3.36Å; F639-S687 WeakPolarHBondContact O-CB 3.4Å; F639-S687 PolarHBondContact O-OG 2.9Å; F639-S687 VanDerWaalsContact O-OG 3.06Å; F639-T688 HydrophobicContact CD1-CG2 4Å; F639-T688 HydrophobicContact CE1-CG2 3.89Å
640	A	94.9	Very high	94.7	Very high	55 Å²	55	40.5 Å²	40.5	46%	0.455	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-21.3	172.2	0	0	0	0	0	112.6	P586 Q636 D637 V638	P586-A640 HydrophobicContact CB-CB 3.58Å; P586-A640 HydrophobicContact CG-CB 3.7Å; Q636-A640 PolarHBondContact O-N 2.85Å; D637-A640 VanDerWaalsContact O-CB 3.24Å; D637-A640 WeakPolarHBondContact O-CB 3.29Å; D637-A640 PolarHBondContact O-N 2.87Å; D637-A640 VanDerWaalsContact O-N 3.15Å; V638-A640 VanDerWaalsContact C-N 3.27Å; V638-A640 PolarHBondContact O-N 3Å
641	S	93.7	Very high	94.5	Very high	42 Å²	42	45.3 Å²	45.3	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-133.9	144.1	176.5	176.5	0	0	0	0	111.4	F639 E643 T644 A645	F639-S641 VanDerWaalsContact C-N 3.28Å; S641-E643 VanDerWaalsContact C-N 3.25Å; S641-E643 PolarHBondContact O-N 2.83Å; S641-E643 PolarHBondContact OG-N 3.49Å; S641-T644 WeakPolarHBondContact CB-OG1 3.38Å; S641-T644 PolarHBondContact O-N 3.23Å; S641-T644 PolarHBondContact O-OG1 3.15Å; S641-A645 WeakPolarHBondContact O-CB 3.38Å; S641-A645 PolarHBondContact O-N 3.45Å
642	R	92.5	Very high	94.4	Very high	155 Å²	155	46.6 Å²	46.6	59%	0.585	23%	0.227	S	C	*	.	H	α-helix	trans	-64.5	-30.5	176.4	-171.3	162.5	-169.9	172.4	5.4	112.6	N646 S687	R642-N646 PolarHBondContact O-N 3.43Å; R642-N646 PolarHBondContact O-ND2 3.41Å; R642-N646 VanDerWaalsContact O-ND2 3.11Å; R642-N646 PolarHBondContact O-OD1 3.28Å; R642-S687 WeakPolarHBondContact CG-O 3.38Å
643	E	91.5	Very high	94.3	Very high	113 Å²	113	47.1 Å²	47.1	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-42	178.9	-65.4	176.8	167.4	0	0	111.8	K596 S641	K596-E643 HydrophobicContact CD-CB 4.28Å; K596-E643 VanDerWaalsContact CD-OE2 3.28Å; K596-E643 WeakPolarHBondContact CD-OE2 3.5Å; K596-E643 WeakPolarHBondContact CE-OE2 3.33Å; K596-E643 HydrophobicContact CG-CB 4.11Å; K596-E643 IonicContact NZ-OE2 2.71Å; K596-E643 PolarHBondContact NZ-OE2 2.94Å; S641-E643 VanDerWaalsContact C-N 3.25Å; S641-E643 PolarHBondContact O-N 2.83Å; S641-E643 PolarHBondContact OG-N 3.49Å
644	T	93	Very high	94.2	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-79.7	-33.3	178.3	42.5	0	0	0	0	111.9	M592 L595 K596 V638 S641 N646 I647	M592-T644 HydrophobicContact CB-CG2 4.22Å; M592-T644 WeakPolarHBondContact O-CG2 3.34Å; M592-T644 HydrophobicContact SD-CG2 4.49Å; L595-T644 HydrophobicContact CB-CG2 4.49Å; K596-T644 HydrophobicContact CG-CG2 3.77Å; V638-T644 WeakPolarHBondContact CG1-O 3.44Å; V638-T644 CarbonylContact O-C 3.57Å; V638-T644 VanDerWaalsContact O-CB 3.29Å; V638-T644 WeakPolarHBondContact O-CB 3.29Å; V638-T644 PolarHBondContact O-OG1 2.76Å; S641-T644 WeakPolarHBondContact CB-OG1 3.38Å; S641-T644 PolarHBondContact O-N 3.23Å; S641-T644 PolarHBondContact O-OG1 3.15Å; T644-N646 PolarHBondContact O-N 2.9Å; T644-I647 WeakPolarHBondContact O-CG1 3.31Å; T644-I647 WeakPolarHBondContact O-CG2 3.3Å; T644-I647 PolarHBondContact O-N 3.23Å
645	A	93.5	Very high	94.2	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-29.8	174	0	0	0	0	0	113	V638 F639 S641 I647 F648 T688	V638-A645 PolarHBondContact O-N 3.39Å; F639-A645 HydrophobicContact CD1-CB 3.66Å; F639-A645 HydrophobicContact CE1-CB 3.95Å; S641-A645 WeakPolarHBondContact O-CB 3.38Å; S641-A645 PolarHBondContact O-N 3.45Å; A645-I647 PolarHBondContact O-N 2.82Å; A645-I647 VanDerWaalsContact O-N 3.09Å; A645-F648 PolarHBondContact O-N 3.31Å; A645-T688 HydrophobicContact CB-CG2 4.23Å
646	N	91.5	Very high	94.1	Very high	115 Å²	115	50.8 Å²	50.8	62%	0.615	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-6	-179.9	-70.3	-24.1	0	0	0	114.5	R642 T644 F648	R642-N646 PolarHBondContact O-N 3.43Å; R642-N646 PolarHBondContact O-ND2 3.41Å; R642-N646 VanDerWaalsContact O-ND2 3.11Å; R642-N646 PolarHBondContact O-OD1 3.28Å; T644-N646 PolarHBondContact O-N 2.9Å; N646-F648 PolarHBondContact O-N 3.46Å
647	I	92.8	Very high	94.2	Very high	21 Å²	21	49 Å²	49	11%	0.108	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.5	174	71.4	-176	0	0	0	112.4	L595 V600 T604 V638 T644 A645	L595-I647 HydrophobicContact CD1-CD1 4.35Å; V600-I647 HydrophobicContact CG2-CB 3.7Å; V600-I647 HydrophobicContact CG2-CD1 4.07Å; V600-I647 HydrophobicContact CG2-CG1 4.35Å; V600-I647 HydrophobicContact CG2-CG2 3.79Å; T604-I647 HydrophobicContact CG2-CB 4.3Å; T604-I647 HydrophobicContact CG2-CD1 4.01Å; T604-I647 HydrophobicContact CG2-CG1 3.79Å; V638-I647 HydrophobicContact CG1-CD1 3.77Å; V638-I647 HydrophobicContact CG1-CG1 4.21Å; V638-I647 HydrophobicContact CG2-CD1 4.36Å; T644-I647 WeakPolarHBondContact O-CG1 3.31Å; T644-I647 WeakPolarHBondContact O-CG2 3.3Å; T644-I647 PolarHBondContact O-N 3.23Å; A645-I647 PolarHBondContact O-N 2.82Å; A645-I647 VanDerWaalsContact O-N 3.09Å
648	F	93.8	Very high	94.2	Very high	13 Å²	13	51.2 Å²	51.2	6%	0.057	26%	0.256	C	S	.	.	S	Bend	trans	-85.9	129.1	176.8	-72.5	-77.3	0	0	0	110.6	T604 L608 L635 V638 F639 A645 N646 D652 M653 M656	T604-F648 HydrophobicContact CG2-CD1 3.8Å; T604-F648 HydrophobicContact CG2-CE1 3.64Å; T604-F648 HydrophobicContact CG2-CE2 4.44Å; T604-F648 HydrophobicContact CG2-CG 4.27Å; T604-F648 HydrophobicContact CG2-CZ 3.97Å; L608-F648 HydrophobicContact CD1-CD1 4.42Å; L608-F648 HydrophobicContact CD1-CE1 4.31Å; L608-F648 HydrophobicContact CG-CE1 4.13Å; L635-F648 HydrophobicContact CD2-CE2 3.93Å; L635-F648 HydrophobicContact CD2-CZ 3.58Å; V638-F648 HydrophobicContact CG1-CD2 4.3Å; V638-F648 HydrophobicContact CG1-CE2 3.86Å; F639-F648 HydrophobicContact CE1-CD2 4.26Å; F639-F648 HydrophobicContact CE2-CD2 4.3Å; F639-F648 HydrophobicContact CE2-CE2 4.07Å; F639-F648 AromaticContact CZ-CD2 3.61Å; F639-F648 HydrophobicContact CZ-CD2 3.61Å; F639-F648 AromaticContact CZ-CE2 3.85Å; F639-F648 HydrophobicContact CZ-CE2 3.85Å; F639-F648 HydrophobicContact CZ-CG 4.41Å; A645-F648 PolarHBondContact O-N 3.31Å; N646-F648 PolarHBondContact O-N 3.46Å; F648-D652 HydrophobicContact CB-CB 4.42Å; F648-D652 HydrophobicContact CD1-CB 4.06Å; F648-M653 HydrophobicContact CB-CG 3.83Å; F648-M653 HydrophobicContact CB-SD 3.44Å; F648-M653 WeakPolarHBondContact CB-SD 3.22Å; F648-M653 HydrophobicContact CD2-SD 4.31Å; F648-M653 HydrophobicContact CG-SD 4.01Å; F648-M656 HydrophobicContact CD1-CE 3.79Å; F648-M656 HydrophobicContact CD2-CE 4.02Å; F648-M656 HydrophobicContact CE1-CE 3.43Å; F648-M656 VanDerWaalsContact CE1-CE 3.43Å; F648-M656 HydrophobicContact CE2-CE 3.67Å; F648-M656 HydrophobicContact CG-CE 4.09Å; F648-M656 HydrophobicContact CZ-CE 3.38Å
649	Y	91.9	Very high	94.3	Very high	119 Å²	119	51.6 Å²	51.6	47%	0.467	26%	0.258	S	S	.	.			trans	-71.4	161.1	172.2	-64.6	-75.4	0	0	0	110.8	K601 T651 D652 M653	K601-Y649 HydrophobicContact CG-CE2 4.38Å; Y649-T651 PolarHBondContact O-N 3.24Å; Y649-T651 VanDerWaalsContact O-N 3.16Å; Y649-D652 WeakPolarHBondContact CB-OD2 3.26Å; Y649-D652 WeakPolarHBondContact CD2-OD2 3.01Å; Y649-D652 PolarHBondContact N-OD2 2.74Å; Y649-D652 WeakPolarHBondContact O-CB 3.22Å; Y649-D652 PolarHBondContact O-N 3.22Å; Y649-M653 WeakPolarHBondContact O-CG 3.38Å; Y649-M653 PolarHBondContact O-N 3.11Å
650	R	91.9	Very high	94.3	Very high	139 Å²	139	51.5 Å²	51.5	53%	0.525	26%	0.257	S	S	.	.	H	α-helix	trans	-53.7	-40.7	-179.3	-169.1	176.9	-174.6	87.2	-6.5	112.7	M653 M654 D689 H693	R650-M653 PolarHBondContact O-N 2.94Å; R650-M654 HydrophobicContact CG-CE 3.76Å; R650-M654 WeakPolarHBondContact O-CG 3.08Å; R650-M654 PolarHBondContact O-N 3.46Å; R650-M654 VanDerWaalsContact O-N 3.15Å; R650-D689 IonicContact CZ-OD2 3.86Å; R650-D689 IonicContact NH1-OD2 2.74Å; R650-D689 PolarHBondContact NH1-OD2 2.84Å; R650-H693 VanDerWaalsContact NH2-CB 3.29Å
651	T	93.1	Very high	94.4	Very high	102 Å²	102	48.9 Å²	48.9	63%	0.626	24%	0.236	S	C	*	.	H	α-helix	trans	-64.6	-45	177.5	-52.1	0	0	0	0	111.7	Y649 M653 M654 V655	Y649-T651 PolarHBondContact O-N 3.24Å; Y649-T651 VanDerWaalsContact O-N 3.16Å; T651-M653 VanDerWaalsContact C-N 3.28Å; T651-M653 PolarHBondContact O-N 3.1Å; T651-M654 PolarHBondContact O-N 3.09Å; T651-M654 VanDerWaalsContact O-N 3.14Å; T651-V655 WeakPolarHBondContact O-CG2 3.43Å; T651-V655 PolarHBondContact O-N 3.4Å
652	D	94.8	Very high	94.6	Very high	26 Å²	26	50.9 Å²	50.9	14%	0.139	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-38.8	179.3	-58.2	-23.9	0	0	0	111	L608 F648 Y649 V655 M656	L608-D652 HydrophobicContact CD1-CB 3.69Å; F648-D652 HydrophobicContact CB-CB 4.42Å; F648-D652 HydrophobicContact CD1-CB 4.06Å; Y649-D652 WeakPolarHBondContact CB-OD2 3.26Å; Y649-D652 WeakPolarHBondContact CD2-OD2 3.01Å; Y649-D652 PolarHBondContact N-OD2 2.74Å; Y649-D652 WeakPolarHBondContact O-CB 3.22Å; Y649-D652 PolarHBondContact O-N 3.22Å; D652-V655 PolarHBondContact O-N 3.03Å; D652-M656 WeakPolarHBondContact O-CB 3.43Å; D652-M656 PolarHBondContact O-N 2.87Å
653	M	94.4	Very high	94.8	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.059	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-44.2	172.9	-71.8	-55.7	-53.8	0	0	112.5	F639 F648 Y649 R650 T651 V655 M656 I657 I684 T688	F639-M653 HydrophobicContact CE1-CE 3.52Å; F639-M653 HydrophobicContact CE1-SD 3.59Å; F639-M653 VanDerWaalsContact CE1-SD 3.59Å; F639-M653 HydrophobicContact CZ-CE 3.74Å; F639-M653 HydrophobicContact CZ-SD 3.57Å; F639-M653 VanDerWaalsContact CZ-SD 3.57Å; F648-M653 HydrophobicContact CB-CG 3.83Å; F648-M653 HydrophobicContact CB-SD 3.44Å; F648-M653 WeakPolarHBondContact CB-SD 3.22Å; F648-M653 HydrophobicContact CD2-SD 4.31Å; F648-M653 HydrophobicContact CG-SD 4.01Å; Y649-M653 WeakPolarHBondContact O-CG 3.38Å; Y649-M653 PolarHBondContact O-N 3.11Å; R650-M653 PolarHBondContact O-N 2.94Å; T651-M653 VanDerWaalsContact C-N 3.28Å; T651-M653 PolarHBondContact O-N 3.1Å; M653-V655 VanDerWaalsContact C-N 3.33Å; M653-V655 PolarHBondContact O-N 3.35Å; M653-M656 PolarHBondContact O-N 3.35Å; M653-I657 WeakPolarHBondContact O-CD1 3.03Å; M653-I657 VanDerWaalsContact O-CG1 3.26Å; M653-I657 WeakPolarHBondContact O-CG1 3.47Å; M653-I657 PolarHBondContact O-N 2.93Å; M653-I684 HydrophobicContact CE-CG1 4.3Å; M653-I684 HydrophobicContact CE-CG2 3.73Å; M653-T688 HydrophobicContact CE-CG2 3.66Å; M653-T688 HydrophobicContact SD-CG2 4.5Å
654	M	95.1	Very high	95	Very high	35 Å²	35	39.3 Å²	39.3	17%	0.172	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-42.4	177.1	-59.2	-48	164.7	0	0	111.3	R650 T651 M656 I657 D658 H693 H695	R650-M654 HydrophobicContact CG-CE 3.76Å; R650-M654 WeakPolarHBondContact O-CG 3.08Å; R650-M654 PolarHBondContact O-N 3.46Å; R650-M654 VanDerWaalsContact O-N 3.15Å; T651-M654 PolarHBondContact O-N 3.09Å; T651-M654 VanDerWaalsContact O-N 3.14Å; M654-M656 VanDerWaalsContact C-N 3.34Å; M654-M656 PolarHBondContact O-N 3.45Å; M654-I657 PolarHBondContact O-N 2.9Å; M654-D658 VanDerWaalsContact O-CG 3.24Å; M654-D658 PolarHBondContact O-N 2.93Å; M654-H693 HydrophobicContact CE-CB 4.28Å; M654-H695 HydrophobicContact SD-CB 3.38Å; M654-H695 WeakPolarHBondContact SD-CB 3.13Å
655	V	96.7	Very high	95.1	Very high	63 Å²	63	41 Å²	41	38%	0.382	20%	0.201	S	C	.	.	H	α-helix	trans	-62.2	-42.6	176.2	173.7	0	0	0	0	110.9	T651 D652 M653 I657 D658 I659	T651-V655 WeakPolarHBondContact O-CG2 3.43Å; T651-V655 PolarHBondContact O-N 3.4Å; D652-V655 PolarHBondContact O-N 3.03Å; M653-V655 VanDerWaalsContact C-N 3.33Å; M653-V655 PolarHBondContact O-N 3.35Å; V655-I657 PolarHBondContact O-N 3.49Å; V655-D658 WeakPolarHBondContact O-CB 3.48Å; V655-D658 PolarHBondContact O-N 3.11Å; V655-I659 HydrophobicContact CG1-CD1 3.92Å; V655-I659 VanDerWaalsContact O-CG1 3.29Å; V655-I659 WeakPolarHBondContact O-CG1 3.47Å; V655-I659 PolarHBondContact O-N 3.47Å
656	M	96.8	Very high	95.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-44.7	176.7	-165.1	-177.4	-66.9	0	0	112	L608 L611 L635 F639 F648 D652 M653 M654 D658 I659 A660 I684	L608-M656 HydrophobicContact CD2-CB 3.76Å; L608-M656 HydrophobicContact CD2-CE 3.71Å; L608-M656 HydrophobicContact CD2-CG 3.98Å; L611-M656 HydrophobicContact CD2-CG 3.78Å; L635-M656 HydrophobicContact CD1-CE 4.5Å; L635-M656 HydrophobicContact CD1-SD 4.49Å; L635-M656 HydrophobicContact CD2-CE 3.73Å; L635-M656 HydrophobicContact CD2-SD 4.4Å; F639-M656 HydrophobicContact CD2-SD 4.4Å; F639-M656 HydrophobicContact CE2-CE 3.7Å; F639-M656 HydrophobicContact CE2-SD 3.27Å; F639-M656 WeakPolarHBondContact CE2-SD 3.24Å; F639-M656 HydrophobicContact CZ-CE 3.72Å; F639-M656 HydrophobicContact CZ-SD 3.51Å; F639-M656 VanDerWaalsContact CZ-SD 3.51Å; F648-M656 HydrophobicContact CD1-CE 3.79Å; F648-M656 HydrophobicContact CD2-CE 4.02Å; F648-M656 HydrophobicContact CE1-CE 3.43Å; F648-M656 VanDerWaalsContact CE1-CE 3.43Å; F648-M656 HydrophobicContact CE2-CE 3.67Å; F648-M656 HydrophobicContact CG-CE 4.09Å; F648-M656 HydrophobicContact CZ-CE 3.38Å; D652-M656 WeakPolarHBondContact O-CB 3.43Å; D652-M656 PolarHBondContact O-N 2.87Å; M653-M656 PolarHBondContact O-N 3.35Å; M654-M656 VanDerWaalsContact C-N 3.34Å; M654-M656 PolarHBondContact O-N 3.45Å; M656-D658 VanDerWaalsContact C-N 3.34Å; M656-I659 PolarHBondContact O-N 2.91Å; M656-A660 WeakPolarHBondContact O-CB 3.38Å; M656-A660 PolarHBondContact O-N 3.33Å; M656-I684 HydrophobicContact CG-CD1 4.26Å; M656-I684 HydrophobicContact SD-CD1 3.77Å; M656-I684 HydrophobicContact SD-CG1 4.45Å
657	I	97.1	Very high	95.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-41.7	176.9	-67.7	162.4	0	0	0	110.3	M653 M654 V655 I659 A660 V661 M681 I684 Y690 R696	M653-I657 WeakPolarHBondContact O-CD1 3.03Å; M653-I657 VanDerWaalsContact O-CG1 3.26Å; M653-I657 WeakPolarHBondContact O-CG1 3.47Å; M653-I657 PolarHBondContact O-N 2.93Å; M654-I657 PolarHBondContact O-N 2.9Å; V655-I657 PolarHBondContact O-N 3.49Å; I657-I659 VanDerWaalsContact C-N 3.32Å; I657-I659 PolarHBondContact O-N 3.43Å; I657-A660 PolarHBondContact O-N 3.03Å; I657-V661 HydrophobicContact CG2-CG2 4.05Å; I657-V661 WeakPolarHBondContact O-CB 3.41Å; I657-V661 VanDerWaalsContact O-CG2 3.27Å; I657-V661 WeakPolarHBondContact O-CG2 3.32Å; I657-V661 PolarHBondContact O-N 3.33Å; I657-M681 HydrophobicContact CG1-CE 4.32Å; I657-M681 HydrophobicContact CG2-SD 4.48Å; I657-I684 HydrophobicContact CD1-CG2 4.4Å; I657-I684 HydrophobicContact CG1-CG2 4.29Å; I657-Y690 HydrophobicContact CD1-CD2 3.77Å; I657-Y690 HydrophobicContact CD1-CE2 4.14Å; I657-Y690 HydrophobicContact CG2-CE2 4.35Å; I657-R696 HydrophobicContact CG2-CB 4.2Å; I657-R696 HydrophobicContact CG2-CG 4.35Å
658	D	97.6	Very high	95.3	Very high	59 Å²	59	44.4 Å²	44.4	32%	0.316	23%	0.225	S	C	.	.	H	α-helix	trans	-58.1	-45.4	175.3	-72.7	-27.7	0	0	0	111.3	M654 V655 M656 R662 H695 R696	M654-D658 VanDerWaalsContact O-CG 3.24Å; M654-D658 PolarHBondContact O-N 2.93Å; V655-D658 WeakPolarHBondContact O-CB 3.48Å; V655-D658 PolarHBondContact O-N 3.11Å; M656-D658 VanDerWaalsContact C-N 3.34Å; D658-R662 WeakPolarHBondContact O-CB 3.3Å; D658-R662 PolarHBondContact O-N 3.33Å; D658-H695 IonicContact OD1-CD2 3.06Å; D658-H695 IonicContact OD1-CE1 3.38Å; D658-H695 IonicContact OD1-NE2 2.64Å; D658-H695 PolarHBondContact OD1-NE2 2.85Å; D658-H695 IonicContact OD2-NE2 3.46Å; D658-H695 PolarHBondContact OD2-NE2 3.29Å; D658-R696 WeakPolarHBondContact OD1-CD 3.12Å; D658-R696 WeakPolarHBondContact OD1-CG 3.39Å; D658-R696 IonicContact OD1-NE 2.64Å
659	I	97.4	Very high	95.1	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-50.1	176.8	-63.1	160.5	0	0	0	110.5	L611 N612 V655 M656 I657 V661 R662 Q663	L611-I659 HydrophobicContact CD2-CB 4.42Å; L611-I659 HydrophobicContact CD2-CD1 4.42Å; L611-I659 HydrophobicContact CD2-CG2 4.14Å; L611-I659 HydrophobicContact CG-CG2 3.92Å; N612-I659 HydrophobicContact CB-CD1 3.74Å; N612-I659 HydrophobicContact CB-CG1 4.34Å; V655-I659 HydrophobicContact CG1-CD1 3.92Å; V655-I659 VanDerWaalsContact O-CG1 3.29Å; V655-I659 WeakPolarHBondContact O-CG1 3.47Å; V655-I659 PolarHBondContact O-N 3.47Å; M656-I659 PolarHBondContact O-N 2.91Å; I657-I659 VanDerWaalsContact C-N 3.32Å; I657-I659 PolarHBondContact O-N 3.43Å; I659-V661 PolarHBondContact O-N 2.85Å; I659-R662 PolarHBondContact O-N 3.29Å; I659-Q663 HydrophobicContact CG2-CG 4.12Å; I659-Q663 VanDerWaalsContact O-CG 3.22Å; I659-Q663 WeakPolarHBondContact O-CG 3.32Å; I659-Q663 PolarHBondContact O-N 3.27Å
660	A	97.1	Very high	94.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-47.8	-177.3	0	0	0	0	0	111.9	M656 I657 R662 Q663 I664 Y677	M656-A660 WeakPolarHBondContact O-CB 3.38Å; M656-A660 PolarHBondContact O-N 3.33Å; I657-A660 PolarHBondContact O-N 3.03Å; A660-R662 VanDerWaalsContact C-N 3.32Å; A660-R662 PolarHBondContact O-N 3.44Å; A660-Q663 PolarHBondContact O-N 2.94Å; A660-I664 WeakPolarHBondContact O-CD1 3.45Å; A660-I664 WeakPolarHBondContact O-CG1 3.41Å; A660-I664 PolarHBondContact O-N 3.29Å; A660-Y677 HydrophobicContact CB-CD1 4.33Å
661	V	97.3	Very high	94.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-40.3	178	173.9	0	0	0	0	111.1	I657 I659 S665 R696 D699 L700	I657-V661 HydrophobicContact CG2-CG2 4.05Å; I657-V661 WeakPolarHBondContact O-CB 3.41Å; I657-V661 VanDerWaalsContact O-CG2 3.27Å; I657-V661 WeakPolarHBondContact O-CG2 3.32Å; I657-V661 PolarHBondContact O-N 3.33Å; I659-V661 PolarHBondContact O-N 2.85Å; V661-S665 WeakPolarHBondContact O-CB 3.18Å; V661-S665 PolarHBondContact O-N 2.98Å; V661-S665 VanDerWaalsContact O-N 3.1Å; V661-S665 PolarHBondContact O-OG 3.45Å; V661-R696 HydrophobicContact CG2-CB 4.16Å; V661-D699 HydrophobicContact CG1-CB 3.95Å; V661-L700 HydrophobicContact CG2-CB 4.11Å; V661-L700 HydrophobicContact CG2-CD1 4.3Å
662	R	96.9	Very high	94.6	Very high	83 Å²	83	38.8 Å²	38.8	31%	0.313	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-50	174.7	178.9	175.7	60	71.7	-5.5	111.1	N612 D658 I659 A660 I664 S665 D666	N612-R662 PolarHBondContact OD1-NH2 3.33Å; D658-R662 WeakPolarHBondContact O-CB 3.3Å; D658-R662 PolarHBondContact O-N 3.33Å; I659-R662 PolarHBondContact O-N 3.29Å; A660-R662 VanDerWaalsContact C-N 3.32Å; A660-R662 PolarHBondContact O-N 3.44Å; R662-I664 PolarHBondContact O-N 2.96Å; R662-S665 WeakPolarHBondContact O-CB 3.43Å; R662-S665 PolarHBondContact O-N 2.95Å; R662-S665 VanDerWaalsContact O-N 3.09Å; R662-D666 WeakPolarHBondContact CG-OD2 3.23Å; R662-D666 IonicContact NH1-OD2 2.64Å; R662-D666 WeakPolarHBondContact O-CB 3.45Å; R662-D666 PolarHBondContact O-N 3.45Å
663	Q	96.6	Very high	94.5	Very high	26 Å²	26	40.3 Å²	40.3	12%	0.121	22%	0.218	C	C	.	.	H	α-helix	trans	-64.8	-40.1	-179.1	-64.4	-70	1.1	0	0	112.2	I659 A660 S665 D666 L667 Y677	I659-Q663 HydrophobicContact CG2-CG 4.12Å; I659-Q663 VanDerWaalsContact O-CG 3.22Å; I659-Q663 WeakPolarHBondContact O-CG 3.32Å; I659-Q663 PolarHBondContact O-N 3.27Å; A660-Q663 PolarHBondContact O-N 2.94Å; Q663-S665 PolarHBondContact O-N 2.9Å; Q663-D666 PolarHBondContact O-N 3.45Å; Q663-L667 HydrophobicContact CB-CD1 4.44Å; Q663-L667 VanDerWaalsContact O-CB 3.3Å; Q663-L667 WeakPolarHBondContact O-CB 3.26Å; Q663-L667 WeakPolarHBondContact O-CD1 3.43Å; Q663-L667 WeakPolarHBondContact O-CG 3.39Å; Q663-L667 PolarHBondContact O-N 3.35Å; Q663-Y677 HydrophobicContact CB-CD1 3.87Å; Q663-Y677 HydrophobicContact CB-CD2 3.8Å; Q663-Y677 HydrophobicContact CB-CE1 3.76Å; Q663-Y677 HydrophobicContact CB-CE2 3.72Å; Q663-Y677 HydrophobicContact CB-CG 3.89Å; Q663-Y677 HydrophobicContact CG-CD1 4.34Å; Q663-Y677 HydrophobicContact CG-CE1 3.72Å; Q663-Y677 HydrophobicContact CG-CE2 4.02Å
664	I	96.4	Very high	94.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-33.8	173.7	-66.6	161.8	0	0	0	111.6	A660 R662 L678 M681 L700 R706 I707	A660-I664 WeakPolarHBondContact O-CD1 3.45Å; A660-I664 WeakPolarHBondContact O-CG1 3.41Å; A660-I664 PolarHBondContact O-N 3.29Å; R662-I664 PolarHBondContact O-N 2.96Å; I664-L678 HydrophobicContact CD1-CD2 4.06Å; I664-L678 HydrophobicContact CG1-CD2 4.22Å; I664-L678 HydrophobicContact CG1-CG 4.37Å; I664-L678 HydrophobicContact CG2-CD2 3.88Å; I664-L678 HydrophobicContact CG2-CG 4.5Å; I664-M681 HydrophobicContact CD1-CB 4.18Å; I664-L700 HydrophobicContact CD1-CD1 4.32Å; I664-R706 PolarHBondContact O-NH2 2.91Å; I664-R706 VanDerWaalsContact O-NH2 3.16Å; I664-I707 HydrophobicContact CG2-CD1 3.79Å
665	S	95.3	Very high	94.5	Very high	37 Å²	37	39.7 Å²	39.7	26%	0.259	22%	0.215	S	C	.	.	H	α-helix	trans	-76	-46.1	179	-56.1	0	0	0	0	112.1	V661 R662 Q663 S703 R706	V661-S665 WeakPolarHBondContact O-CB 3.18Å; V661-S665 PolarHBondContact O-N 2.98Å; V661-S665 VanDerWaalsContact O-N 3.1Å; V661-S665 PolarHBondContact O-OG 3.45Å; R662-S665 WeakPolarHBondContact O-CB 3.43Å; R662-S665 PolarHBondContact O-N 2.95Å; R662-S665 VanDerWaalsContact O-N 3.09Å; Q663-S665 PolarHBondContact O-N 2.9Å; S665-S703 PolarHBondContact OG-OG 3.26Å; S665-R706 PolarHBondContact O-NH1 3.16Å; S665-R706 PolarHBondContact O-NH2 3.15Å
666	D	94.8	Very high	94.4	Very high	106 Å²	106	38.7 Å²	38.7	57%	0.567	21%	0.207	S	C	*	.	H	α-helix	trans	-79	-31.4	-170.9	-66.8	-14.3	0	0	0	113.1	R662 Q663	R662-D666 WeakPolarHBondContact CG-OD2 3.23Å; R662-D666 IonicContact NH1-OD2 2.64Å; R662-D666 WeakPolarHBondContact O-CB 3.45Å; R662-D666 PolarHBondContact O-N 3.45Å; Q663-D666 PolarHBondContact O-N 3.45Å
667	L	94.8	Very high	94.5	Very high	24 Å²	24	39 Å²	39	13%	0.126	21%	0.207	C	C	.	.	S	Bend	trans	-69.3	136.6	-178.8	-70.1	171.1	0	0	0	112.1	Q663 D671 L673 R674 Y677	Q663-L667 HydrophobicContact CB-CD1 4.44Å; Q663-L667 VanDerWaalsContact O-CB 3.3Å; Q663-L667 WeakPolarHBondContact O-CB 3.26Å; Q663-L667 WeakPolarHBondContact O-CD1 3.43Å; Q663-L667 WeakPolarHBondContact O-CG 3.39Å; Q663-L667 PolarHBondContact O-N 3.35Å; L667-D671 HydrophobicContact CB-CB 4.49Å; L667-L673 HydrophobicContact CD1-CB 3.98Å; L667-R674 HydrophobicContact CB-CB 4.17Å; L667-R674 HydrophobicContact CB-CG 4.3Å; L667-R674 HydrophobicContact CD1-CB 4.12Å; L667-Y677 HydrophobicContact CD1-CD2 3.81Å; L667-Y677 HydrophobicContact CD1-CE2 4.1Å
668	S	91.8	Very high	94.4	Very high	80 Å²	80	39 Å²	39	56%	0.559	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-69.4	151.6	-179.5	-65.9	0	0	0	0	112.2	G670 D671	S668-G670 PolarHBondContact O-N 3.45Å; S668-D671 WeakPolarHBondContact O-CB 3.41Å; S668-D671 PolarHBondContact O-N 2.88Å; S668-D671 VanDerWaalsContact O-N 3.16Å
669	P	90.5	Very high	94.4	Very high	55 Å²	55	37.6 Å²	37.6	36%	0.357	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	127.2	170.6	-25.1	35.8	0	0	0	112.2	E710 K724	P669-E710 WeakPolarHBondContact CB-OE2 3.4Å; P669-E710 HydrophobicContact CG-CG 4.45Å; P669-K724 HydrophobicContact CB-CD 4.14Å; P669-K724 HydrophobicContact CB-CG 4.32Å; P669-K724 WeakPolarHBondContact O-CE 3.46Å
670	G	85.1	Confident	94.4	Very high	13 Å²	13	37.2 Å²	37.2	13%	0.134	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-4.5	-179.6	0	0	0	0	0	114.9	S668 K672 S720	S668-G670 PolarHBondContact O-N 3.45Å; G670-K672 PolarHBondContact O-N 3.08Å; G670-S720 WeakPolarHBondContact CA-OG 3.31Å
671	D	90.9	Very high	94.3	Very high	60 Å²	60	37.2 Å²	37.2	32%	0.321	20%	0.201	S	C	.	.			trans	-68.9	124.2	170.6	-164.3	-40	0	0	0	110.6	L667 S668 L673 R674	L667-D671 HydrophobicContact CB-CB 4.49Å; S668-D671 WeakPolarHBondContact O-CB 3.41Å; S668-D671 PolarHBondContact O-N 2.88Å; S668-D671 VanDerWaalsContact O-N 3.16Å; D671-L673 PolarHBondContact O-N 3.36Å; D671-L673 WeakPolarHBondContact OD1-CB 3.42Å; D671-L673 PolarHBondContact OD1-N 3.48Å; D671-R674 WeakPolarHBondContact O-CB 3.4Å; D671-R674 PolarHBondContact O-N 3.06Å; D671-R674 VanDerWaalsContact O-N 3.08Å
672	K	89.9	Confident	94.3	Very high	128 Å²	128	39.1 Å²	39.1	56%	0.557	21%	0.209	S	C	*	.	H	α-helix	trans	-63.5	-22.8	-179.6	-63.7	-179	-178.4	178.2	0	112.9	G670 R674 M675 A723	G670-K672 PolarHBondContact O-N 3.08Å; K672-R674 VanDerWaalsContact C-N 3.3Å; K672-M675 WeakPolarHBondContact O-CG 3.49Å; K672-A723 HydrophobicContact CG-CB 4.49Å
673	L	93.1	Very high	94.2	Very high	57 Å²	57	36.5 Å²	36.5	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-73.2	-24.1	176.6	-67.5	177.8	0	0	0	112.4	H629 L632 L667 D671 M675 E676 Y677	H629-L673 HydrophobicContact CB-CD2 4.12Å; L632-L673 HydrophobicContact CD1-CD2 4.32Å; L667-L673 HydrophobicContact CD1-CB 3.98Å; D671-L673 PolarHBondContact O-N 3.36Å; D671-L673 WeakPolarHBondContact OD1-CB 3.42Å; D671-L673 PolarHBondContact OD1-N 3.48Å; L673-M675 VanDerWaalsContact C-N 3.34Å; L673-M675 PolarHBondContact O-N 3.26Å; L673-E676 WeakPolarHBondContact O-CB 3.47Å; L673-E676 PolarHBondContact O-N 2.92Å; L673-E676 VanDerWaalsContact O-N 3.14Å; L673-Y677 VanDerWaalsContact O-CD2 3.29Å; L673-Y677 WeakPolarHBondContact O-CD2 3.5Å; L673-Y677 PolarHBondContact O-N 2.72Å; L673-Y677 VanDerWaalsContact O-N 3.15Å
674	R	95.1	Very high	94.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-39.5	-176.5	-166.3	167.7	67.5	161.1	8.4	111.9	L667 D671 K672 E676 Y677 L678 E710 D727	L667-R674 HydrophobicContact CB-CB 4.17Å; L667-R674 HydrophobicContact CB-CG 4.3Å; L667-R674 HydrophobicContact CD1-CB 4.12Å; D671-R674 WeakPolarHBondContact O-CB 3.4Å; D671-R674 PolarHBondContact O-N 3.06Å; D671-R674 VanDerWaalsContact O-N 3.08Å; K672-R674 VanDerWaalsContact C-N 3.3Å; R674-E676 VanDerWaalsContact C-N 3.26Å; R674-E676 PolarHBondContact O-N 2.77Å; R674-Y677 PolarHBondContact O-N 2.91Å; R674-L678 WeakPolarHBondContact O-CG 3.25Å; R674-L678 PolarHBondContact O-N 3.36Å; R674-E710 IonicContact CZ-OE1 3.3Å; R674-E710 IonicContact CZ-OE2 2.72Å; R674-E710 IonicContact NH1-OE1 3.2Å; R674-E710 PolarHBondContact NH1-OE1 3.09Å; R674-E710 IonicContact NH1-OE2 2.78Å; R674-E710 PolarHBondContact NH1-OE2 2.95Å; R674-E710 IonicContact NH2-OE1 3.34Å; R674-E710 IonicContact NH2-OE2 3.29Å; R674-E710 PolarHBondContact NH2-OE2 2.73Å; R674-D727 IonicContact CZ-OD2 3.77Å; R674-D727 IonicContact NE-OD2 3.65Å; R674-D727 PolarHBondContact NE-OD2 3.06Å; R674-D727 IonicContact NH2-OD2 3.67Å; R674-D727 PolarHBondContact NH2-OD2 3.42Å
675	M	94	Very high	94.1	Very high	35 Å²	35	35.4 Å²	35.4	17%	0.172	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-33.7	175.9	78.3	-177.5	64.5	0	0	112.1	K672 L673 L678 S679 A723 M726 D727 I730	K672-M675 WeakPolarHBondContact O-CG 3.49Å; L673-M675 VanDerWaalsContact C-N 3.34Å; L673-M675 PolarHBondContact O-N 3.26Å; M675-L678 PolarHBondContact O-N 3.07Å; M675-S679 WeakPolarHBondContact O-CB 3.45Å; M675-S679 PolarHBondContact O-N 3.4Å; M675-S679 PolarHBondContact O-OG 3.44Å; M675-A723 HydrophobicContact CE-CB 3.6Å; M675-M726 HydrophobicContact CE-CB 4.13Å; M675-M726 HydrophobicContact SD-CB 4.41Å; M675-D727 VanDerWaalsContact CA-OD1 3.22Å; M675-D727 WeakPolarHBondContact CA-OD1 3.32Å; M675-D727 VanDerWaalsContact CB-OD1 3.25Å; M675-D727 WeakPolarHBondContact CB-OD1 3.23Å; M675-D727 PolarHBondContact N-OD1 2.93Å; M675-D727 VanDerWaalsContact N-OD1 3.11Å; M675-I730 HydrophobicContact CB-CD1 3.84Å
676	E	95.1	Very high	93.9	Very high	42 Å²	42	40 Å²	40	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-40.7	179.9	-61.2	-63.1	160.9	0	0	111.6	L632 Q636 L673 R674 S679 L680	L632-E676 HydrophobicContact CB-CB 4.3Å; L632-E676 HydrophobicContact CD1-CB 3.59Å; L632-E676 HydrophobicContact CD1-CG 4.45Å; L632-E676 HydrophobicContact CG-CB 4.47Å; Q636-E676 PolarHBondContact NE2-O 3.39Å; Q636-E676 VanDerWaalsContact NE2-O 3.12Å; Q636-E676 PolarHBondContact NE2-OE2 3.27Å; L673-E676 WeakPolarHBondContact O-CB 3.47Å; L673-E676 PolarHBondContact O-N 2.92Å; L673-E676 VanDerWaalsContact O-N 3.14Å; R674-E676 VanDerWaalsContact C-N 3.26Å; R674-E676 PolarHBondContact O-N 2.77Å; E676-S679 PolarHBondContact O-N 3.38Å; E676-L680 WeakPolarHBondContact O-CB 3.41Å; E676-L680 PolarHBondContact O-N 3.31Å
677	Y	97.1	Very high	93.8	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.02	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-37.7	173.1	-77.6	-76.7	0	0	0	112.7	L611 L632 A660 Q663 L667 L673 R674 S679 L680 M681	L611-Y677 HydrophobicContact CD1-CE1 3.78Å; L611-Y677 HydrophobicContact CG-CE1 4.49Å; L632-Y677 HydrophobicContact CD1-CD2 4.2Å; L632-Y677 HydrophobicContact CD1-CE2 3.93Å; L632-Y677 HydrophobicContact CD2-CD1 3.88Å; L632-Y677 HydrophobicContact CD2-CE1 3.7Å; L632-Y677 HydrophobicContact CD2-CE2 4.43Å; L632-Y677 HydrophobicContact CD2-CG 4.34Å; A660-Y677 HydrophobicContact CB-CD1 4.33Å; Q663-Y677 HydrophobicContact CB-CD1 3.87Å; Q663-Y677 HydrophobicContact CB-CD2 3.8Å; Q663-Y677 HydrophobicContact CB-CE1 3.76Å; Q663-Y677 HydrophobicContact CB-CE2 3.72Å; Q663-Y677 HydrophobicContact CB-CG 3.89Å; Q663-Y677 HydrophobicContact CG-CD1 4.34Å; Q663-Y677 HydrophobicContact CG-CE1 3.72Å; Q663-Y677 HydrophobicContact CG-CE2 4.02Å; L667-Y677 HydrophobicContact CD1-CD2 3.81Å; L667-Y677 HydrophobicContact CD1-CE2 4.1Å; L673-Y677 VanDerWaalsContact O-CD2 3.29Å; L673-Y677 WeakPolarHBondContact O-CD2 3.5Å; L673-Y677 PolarHBondContact O-N 2.72Å; L673-Y677 VanDerWaalsContact O-N 3.15Å; R674-Y677 PolarHBondContact O-N 2.91Å; Y677-S679 VanDerWaalsContact C-N 3.33Å; Y677-L680 PolarHBondContact O-N 3.43Å; Y677-M681 WeakPolarHBondContact O-CB 3.28Å; Y677-M681 PolarHBondContact O-N 3.2Å
678	L	96.7	Very high	93.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-43.8	173.1	-74.9	170.2	0	0	0	111.2	I664 R674 M675 M681 H682 L704 I707 D727 I730 V731	I664-L678 HydrophobicContact CD1-CD2 4.06Å; I664-L678 HydrophobicContact CG1-CD2 4.22Å; I664-L678 HydrophobicContact CG1-CG 4.37Å; I664-L678 HydrophobicContact CG2-CD2 3.88Å; I664-L678 HydrophobicContact CG2-CG 4.5Å; R674-L678 WeakPolarHBondContact O-CG 3.25Å; R674-L678 PolarHBondContact O-N 3.36Å; M675-L678 PolarHBondContact O-N 3.07Å; L678-M681 PolarHBondContact O-N 3.07Å; L678-H682 WeakPolarHBondContact O-CB 3.49Å; L678-H682 PolarHBondContact O-N 3.29Å; L678-L704 HydrophobicContact CD2-CD2 3.7Å; L678-I707 HydrophobicContact CD1-CD1 4.3Å; L678-I707 HydrophobicContact CD2-CD1 4.18Å; L678-D727 HydrophobicContact CD1-CB 3.84Å; L678-I730 HydrophobicContact CB-CB 4.48Å; L678-I730 HydrophobicContact CB-CG2 3.84Å; L678-V731 HydrophobicContact CD1-CG2 4.17Å; L678-V731 HydrophobicContact CD2-CG2 4.06Å
679	S	96	Very high	93.8	Very high	30 Å²	30	33.2 Å²	33.2	21%	0.21	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-42.3	177.4	-57.2	0	0	0	0	111.2	M675 E676 Y677 M681 H682 S683 I730	M675-S679 WeakPolarHBondContact O-CB 3.45Å; M675-S679 PolarHBondContact O-N 3.4Å; M675-S679 PolarHBondContact O-OG 3.44Å; E676-S679 PolarHBondContact O-N 3.38Å; Y677-S679 VanDerWaalsContact C-N 3.33Å; S679-M681 PolarHBondContact O-N 3.11Å; S679-H682 WeakPolarHBondContact O-CB 3.47Å; S679-H682 PolarHBondContact O-N 3.08Å; S679-S683 PolarHBondContact O-N 3.46Å; S679-S683 PolarHBondContact O-OG 3.37Å; S679-S683 VanDerWaalsContact O-OG 3.06Å; S679-I730 WeakPolarHBondContact OG-CD1 3.49Å
680	L	97	Very high	93.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-47.4	172.8	175.1	60.2	0	0	0	111.7	L632 L635 Q636 F639 E676 Y677 H682 S683 I684	L632-L680 HydrophobicContact CD2-CD2 3.87Å; L635-L680 HydrophobicContact CB-CD1 3.63Å; L635-L680 HydrophobicContact CB-CD2 4.42Å; L635-L680 HydrophobicContact CD1-CD2 4.08Å; Q636-L680 HydrophobicContact CG-CB 4.31Å; F639-L680 HydrophobicContact CD2-CD1 3.7Å; F639-L680 HydrophobicContact CE2-CD1 4.14Å; E676-L680 WeakPolarHBondContact O-CB 3.41Å; E676-L680 PolarHBondContact O-N 3.31Å; Y677-L680 PolarHBondContact O-N 3.43Å; L680-H682 VanDerWaalsContact C-N 3.3Å; L680-H682 PolarHBondContact O-N 3.19Å; L680-S683 PolarHBondContact O-N 3.23Å; L680-I684 HydrophobicContact CD1-CD1 4.08Å; L680-I684 HydrophobicContact CD1-CG1 4.23Å; L680-I684 HydrophobicContact CG-CD1 3.95Å; L680-I684 VanDerWaalsContact O-CG1 3.31Å; L680-I684 WeakPolarHBondContact O-CG1 3.15Å; L680-I684 PolarHBondContact O-N 3.23Å
681	M	96.7	Very high	94.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-40.3	177.9	-169.1	65.9	-113.7	0	0	111.3	I657 I664 Y677 L678 S679 I684 M685 Y690 L700	I657-M681 HydrophobicContact CG1-CE 4.32Å; I657-M681 HydrophobicContact CG2-SD 4.48Å; I664-M681 HydrophobicContact CD1-CB 4.18Å; Y677-M681 WeakPolarHBondContact O-CB 3.28Å; Y677-M681 PolarHBondContact O-N 3.2Å; L678-M681 PolarHBondContact O-N 3.07Å; S679-M681 PolarHBondContact O-N 3.11Å; M681-I684 HydrophobicContact CE-CB 4.02Å; M681-I684 HydrophobicContact CE-CG2 3.75Å; M681-I684 PolarHBondContact O-N 3.02Å; M681-M685 HydrophobicContact CE-CG 3.59Å; M681-M685 HydrophobicContact CE-SD 4.12Å; M681-M685 HydrophobicContact CG-SD 4.23Å; M681-M685 WeakPolarHBondContact O-CG 3.47Å; M681-M685 PolarHBondContact O-N 3.39Å; M681-Y690 HydrophobicContact CE-CD2 3.93Å; M681-Y690 HydrophobicContact CE-CE2 3.82Å; M681-Y690 HydrophobicContact CE-CG 4.37Å; M681-L700 HydrophobicContact CG-CD1 4.06Å; M681-L700 HydrophobicContact CG-CD2 3.87Å; M681-L700 HydrophobicContact SD-CD2 4.22Å
682	H	95.9	Very high	94	Very high	39 Å²	39	37 Å²	37	18%	0.181	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-45.5	174	-176.2	-143.2	0	0	0	111.9	L678 S679 L680 M685 H686 I734 E737 F738	L678-H682 WeakPolarHBondContact O-CB 3.49Å; L678-H682 PolarHBondContact O-N 3.29Å; S679-H682 WeakPolarHBondContact O-CB 3.47Å; S679-H682 PolarHBondContact O-N 3.08Å; L680-H682 VanDerWaalsContact C-N 3.3Å; L680-H682 PolarHBondContact O-N 3.19Å; H682-M685 PolarHBondContact O-N 2.98Å; H682-H686 PolarHBondContact O-N 3.26Å; H682-H686 VanDerWaalsContact O-N 3.14Å; H682-I734 HydrophobicContact CB-CD1 4.03Å; H682-I734 HydrophobicContact CB-CG1 3.85Å; H682-E737 IonicContact CD2-OE2 4Å; H682-E737 IonicContact CE1-OE1 2.69Å; H682-E737 IonicContact CE1-OE2 3.86Å; H682-E737 IonicContact NE2-OE1 3.71Å; H682-E737 IonicContact NE2-OE2 3.67Å; H682-E737 PolarHBondContact NE2-OE2 3.09Å; H682-F738 AromaticContact CD2-CE2 3.98Å
683	S	95.6	Very high	94.1	Very high	28 Å²	28	32.6 Å²	32.6	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-41.9	176	-55.2	0	0	0	0	112.7	S679 L680 M685 H686 S687	S679-S683 PolarHBondContact O-N 3.46Å; S679-S683 PolarHBondContact O-OG 3.37Å; S679-S683 VanDerWaalsContact O-OG 3.06Å; L680-S683 PolarHBondContact O-N 3.23Å; S683-M685 VanDerWaalsContact C-N 3.32Å; S683-M685 PolarHBondContact O-N 2.87Å; S683-H686 PolarHBondContact O-N 2.93Å; S683-S687 WeakPolarHBondContact O-CB 3.42Å; S683-S687 PolarHBondContact O-N 2.76Å; S683-S687 PolarHBondContact O-OG 2.8Å
684	I	95.9	Very high	94.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.3	-47	175.4	-71.8	166.9	0	0	0	109.9	F639 M653 M656 I657 L680 M681 H686 S687 T688	F639-I684 HydrophobicContact CD1-CG1 4Å; F639-I684 HydrophobicContact CD2-CG1 3.82Å; F639-I684 HydrophobicContact CE1-CG1 4.08Å; F639-I684 HydrophobicContact CE2-CD1 4.42Å; F639-I684 HydrophobicContact CE2-CG1 3.93Å; F639-I684 HydrophobicContact CG-CG1 3.89Å; F639-I684 HydrophobicContact CZ-CG1 4.05Å; M653-I684 HydrophobicContact CE-CG1 4.3Å; M653-I684 HydrophobicContact CE-CG2 3.73Å; M656-I684 HydrophobicContact CG-CD1 4.26Å; M656-I684 HydrophobicContact SD-CD1 3.77Å; M656-I684 HydrophobicContact SD-CG1 4.45Å; I657-I684 HydrophobicContact CD1-CG2 4.4Å; I657-I684 HydrophobicContact CG1-CG2 4.29Å; L680-I684 HydrophobicContact CD1-CD1 4.08Å; L680-I684 HydrophobicContact CD1-CG1 4.23Å; L680-I684 HydrophobicContact CG-CD1 3.95Å; L680-I684 VanDerWaalsContact O-CG1 3.31Å; L680-I684 WeakPolarHBondContact O-CG1 3.15Å; L680-I684 PolarHBondContact O-N 3.23Å; M681-I684 HydrophobicContact CE-CB 4.02Å; M681-I684 HydrophobicContact CE-CG2 3.75Å; M681-I684 PolarHBondContact O-N 3.02Å; I684-H686 VanDerWaalsContact C-N 3.27Å; I684-H686 PolarHBondContact O-N 3.37Å; I684-S687 PolarHBondContact O-N 3.28Å; I684-T688 HydrophobicContact CG2-CG2 4.37Å; I684-T688 WeakPolarHBondContact O-CB 3.48Å; I684-T688 WeakPolarHBondContact O-CG2 3.27Å; I684-T688 PolarHBondContact O-N 2.91Å; I684-T688 PolarHBondContact O-OG1 2.83Å
685	M	94.1	Very high	94.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-33.1	-179.1	-70.6	170.6	42	0	0	113.4	M681 H682 S683 Y690 L700 I734 F738 I741	M681-M685 HydrophobicContact CE-CG 3.59Å; M681-M685 HydrophobicContact CE-SD 4.12Å; M681-M685 HydrophobicContact CG-SD 4.23Å; M681-M685 WeakPolarHBondContact O-CG 3.47Å; M681-M685 PolarHBondContact O-N 3.39Å; H682-M685 PolarHBondContact O-N 2.98Å; S683-M685 VanDerWaalsContact C-N 3.32Å; S683-M685 PolarHBondContact O-N 2.87Å; M685-Y690 HydrophobicContact CB-CD1 4.41Å; M685-Y690 HydrophobicContact CG-CD1 3.57Å; M685-Y690 HydrophobicContact CG-CE1 3.91Å; M685-Y690 HydrophobicContact CG-CG 4.04Å; M685-Y690 HydrophobicContact SD-CD1 4.45Å; M685-Y690 HydrophobicContact SD-CE1 4.22Å; M685-L700 HydrophobicContact SD-CD2 4.34Å; M685-I734 HydrophobicContact CE-CG2 3.78Å; M685-I734 HydrophobicContact SD-CG2 4.28Å; M685-F738 HydrophobicContact CB-CE1 4.25Å; M685-F738 HydrophobicContact CB-CE2 4.07Å; M685-F738 HydrophobicContact CB-CZ 3.88Å; M685-F738 HydrophobicContact CE-CB 3.85Å; M685-F738 HydrophobicContact CE-CD1 4.03Å; M685-F738 HydrophobicContact CE-CD2 3.29Å; M685-F738 HydrophobicContact CE-CE1 4.42Å; M685-F738 HydrophobicContact CE-CE2 3.77Å; M685-F738 HydrophobicContact CE-CG 3.44Å; M685-F738 VanDerWaalsContact CE-CG 3.44Å; M685-F738 HydrophobicContact CE-CZ 4.31Å; M685-I741 HydrophobicContact CE-CD1 3.08Å; M685-I741 HydrophobicContact SD-CD1 3.98Å
686	H	92.6	Very high	94.2	Very high	133 Å²	133	39.8 Å²	39.8	62%	0.616	20%	0.195	S	C	*	.	H	α-helix	trans	-79	-34.2	180	-171.8	-81.2	0	0	0	113	H682 S683 I684 F738	H682-H686 PolarHBondContact O-N 3.26Å; H682-H686 VanDerWaalsContact O-N 3.14Å; S683-H686 PolarHBondContact O-N 2.93Å; I684-H686 VanDerWaalsContact C-N 3.27Å; I684-H686 PolarHBondContact O-N 3.37Å; H686-F738 HydrophobicContact CB-CZ 4.35Å
687	S	92.9	Very high	94.1	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-101.2	-10.7	-170.9	58.1	0	0	0	0	115.1	F639 R642 S683 I684	F639-S687 WeakPolarHBondContact CB-OG 3.4Å; F639-S687 WeakPolarHBondContact CD1-OG 3.36Å; F639-S687 WeakPolarHBondContact O-CB 3.4Å; F639-S687 PolarHBondContact O-OG 2.9Å; F639-S687 VanDerWaalsContact O-OG 3.06Å; R642-S687 WeakPolarHBondContact CG-O 3.38Å; S683-S687 WeakPolarHBondContact O-CB 3.42Å; S683-S687 PolarHBondContact O-N 2.76Å; S683-S687 PolarHBondContact O-OG 2.8Å; I684-S687 PolarHBondContact O-N 3.28Å
688	T	94.1	Very high	93.9	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.117	22%	0.217	C	C	.	.	S	Bend	trans	-121	176.7	-175.3	71.7	0	0	0	0	113.3	F639 A645 M653 I684 Y690	F639-T688 HydrophobicContact CD1-CG2 4Å; F639-T688 HydrophobicContact CE1-CG2 3.89Å; A645-T688 HydrophobicContact CB-CG2 4.23Å; M653-T688 HydrophobicContact CE-CG2 3.66Å; M653-T688 HydrophobicContact SD-CG2 4.5Å; I684-T688 HydrophobicContact CG2-CG2 4.37Å; I684-T688 WeakPolarHBondContact O-CB 3.48Å; I684-T688 WeakPolarHBondContact O-CG2 3.27Å; I684-T688 PolarHBondContact O-N 2.91Å; I684-T688 PolarHBondContact O-OG1 2.83Å; T688-Y690 PolarHBondContact O-N 2.79Å; T688-Y690 PolarHBondContact OG1-N 2.99Å
689	D	91.7	Very high	93.8	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	23%	0.233	C	C	.	.	S	Bend	trans	-80.9	21.9	173.3	64.4	-46.2	0	0	0	113.5	R650 P691 E692 H693	R650-D689 IonicContact CZ-OD2 3.86Å; R650-D689 IonicContact NH1-OD2 2.74Å; R650-D689 PolarHBondContact NH1-OD2 2.84Å; D689-P691 VanDerWaalsContact C-N 3.3Å; D689-P691 VanDerWaalsContact O-N 3.16Å; D689-E692 HydrophobicContact CB-CG 4.39Å; D689-E692 WeakPolarHBondContact O-CB 3.33Å; D689-E692 PolarHBondContact O-N 2.85Å; D689-H693 PolarHBondContact O-CD2 3.25Å; D689-H693 VanDerWaalsContact O-CD2 3.25Å; D689-H693 IonicContact OD2-CD2 3.8Å
690	Y	93.1	Very high	93.8	Very high	2 Å²	2	44 Å²	44	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-45.9	-43.3	177	-180	-92.7	0	0	0	115	I657 M681 M685 T688 E692 H693 Q694 H695 L697 L700 I741	I657-Y690 HydrophobicContact CD1-CD2 3.77Å; I657-Y690 HydrophobicContact CD1-CE2 4.14Å; I657-Y690 HydrophobicContact CG2-CE2 4.35Å; M681-Y690 HydrophobicContact CE-CD2 3.93Å; M681-Y690 HydrophobicContact CE-CE2 3.82Å; M681-Y690 HydrophobicContact CE-CG 4.37Å; M685-Y690 HydrophobicContact CB-CD1 4.41Å; M685-Y690 HydrophobicContact CG-CD1 3.57Å; M685-Y690 HydrophobicContact CG-CE1 3.91Å; M685-Y690 HydrophobicContact CG-CG 4.04Å; M685-Y690 HydrophobicContact SD-CD1 4.45Å; M685-Y690 HydrophobicContact SD-CE1 4.22Å; T688-Y690 PolarHBondContact O-N 2.79Å; T688-Y690 PolarHBondContact OG1-N 2.99Å; Y690-E692 PolarHBondContact O-N 2.78Å; Y690-E692 VanDerWaalsContact O-N 3.14Å; Y690-H693 WeakPolarHBondContact CA-NE2 3.19Å; Y690-H693 AromaticContact CD2-CE1 3.71Å; Y690-H693 PolarHBondContact O-N 3.36Å; Y690-Q694 PolarHBondContact O-N 2.85Å; Y690-H695 WeakPolarHBondContact CE2-O 3.2Å; Y690-L697 HydrophobicContact CE1-CD1 4.38Å; Y690-L700 WeakPolarHBondContact OH-CD2 3.47Å; Y690-I741 HydrophobicContact CE1-CD1 4.17Å
691	P	87.9	Confident	93.6	Very high	49 Å²	49	45.3 Å²	45.3	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-60.4	-23.9	178.5	-24.4	35.6	0	0	0	114.5	D689 Q694	D689-P691 VanDerWaalsContact C-N 3.3Å; D689-P691 VanDerWaalsContact O-N 3.16Å; P691-Q694 VanDerWaalsContact O-CG 3.32Å; P691-Q694 WeakPolarHBondContact O-CG 3.29Å; P691-Q694 PolarHBondContact O-NE2 3.39Å; P691-Q694 VanDerWaalsContact O-NE2 3.11Å
692	E	89.7	Confident	93.5	Very high	155 Å²	155	47.3 Å²	47.3	72%	0.724	25%	0.25	S	S	*	.	H	α-helix	trans	-81.2	-42.9	-179.3	-58.7	-177.5	-169.9	0	0	111.8	D689 Y690	D689-E692 HydrophobicContact CB-CG 4.39Å; D689-E692 WeakPolarHBondContact O-CB 3.33Å; D689-E692 PolarHBondContact O-N 2.85Å; Y690-E692 PolarHBondContact O-N 2.78Å; Y690-E692 VanDerWaalsContact O-N 3.14Å
693	H	91.8	Very high	93.4	Very high	37 Å²	37	46 Å²	46	17%	0.171	25%	0.245	C	C	.	.	H	α-helix	trans	-98.3	-21.9	-172.7	67.5	71.9	0	0	0	114.5	R650 M654 D689 Y690 H695	R650-H693 VanDerWaalsContact NH2-CB 3.29Å; M654-H693 HydrophobicContact CE-CB 4.28Å; D689-H693 PolarHBondContact O-CD2 3.25Å; D689-H693 VanDerWaalsContact O-CD2 3.25Å; D689-H693 IonicContact OD2-CD2 3.8Å; Y690-H693 WeakPolarHBondContact CA-NE2 3.19Å; Y690-H693 AromaticContact CD2-CE1 3.71Å; Y690-H693 PolarHBondContact O-N 3.36Å; H693-H695 PolarHBondContact ND1-N 2.81Å; H693-H695 PolarHBondContact O-N 3.07Å
694	Q	92.5	Very high	93.4	Very high	99 Å²	99	44.6 Å²	44.6	46%	0.463	24%	0.236	S	C	.	.			trans	51.5	36.8	168.8	-57.5	-176.5	-0.8	0	0	114.3	Y690 P691 R696 L697	Y690-Q694 PolarHBondContact O-N 2.85Å; P691-Q694 VanDerWaalsContact O-CG 3.32Å; P691-Q694 WeakPolarHBondContact O-CG 3.29Å; P691-Q694 PolarHBondContact O-NE2 3.39Å; P691-Q694 VanDerWaalsContact O-NE2 3.11Å; Q694-R696 PolarHBondContact O-N 3.1Å; Q694-L697 HydrophobicContact CB-CB 4.04Å; Q694-L697 HydrophobicContact CB-CD2 3.86Å; Q694-L697 HydrophobicContact CG-CD2 4Å; Q694-L697 VanDerWaalsContact O-CB 3.27Å; Q694-L697 WeakPolarHBondContact O-CB 3.47Å; Q694-L697 PolarHBondContact O-N 2.93Å
695	H	95.6	Very high	93.3	Very high	55 Å²	55	48.2 Å²	48.2	26%	0.255	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	130.3	-176.6	-176.6	61.4	0	0	0	109.8	M654 D658 Y690 H693 L697	M654-H695 HydrophobicContact SD-CB 3.38Å; M654-H695 WeakPolarHBondContact SD-CB 3.13Å; D658-H695 IonicContact OD1-CD2 3.06Å; D658-H695 IonicContact OD1-CE1 3.38Å; D658-H695 IonicContact OD1-NE2 2.64Å; D658-H695 PolarHBondContact OD1-NE2 2.85Å; D658-H695 IonicContact OD2-NE2 3.46Å; D658-H695 PolarHBondContact OD2-NE2 3.29Å; Y690-H695 WeakPolarHBondContact CE2-O 3.2Å; H693-H695 PolarHBondContact ND1-N 2.81Å; H693-H695 PolarHBondContact O-N 3.07Å; H695-L697 PolarHBondContact O-N 3.15Å; H695-L697 VanDerWaalsContact O-N 3.14Å
696	R	95.4	Very high	93.3	Very high	88 Å²	88	52.9 Å²	52.9	33%	0.332	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	19.3	-175.9	-55	-78.1	-73	156.9	10.4	115.1	I657 D658 V661 Q694 S698 D699 L700	I657-R696 HydrophobicContact CG2-CB 4.2Å; I657-R696 HydrophobicContact CG2-CG 4.35Å; D658-R696 WeakPolarHBondContact OD1-CD 3.12Å; D658-R696 WeakPolarHBondContact OD1-CG 3.39Å; D658-R696 IonicContact OD1-NE 2.64Å; V661-R696 HydrophobicContact CG2-CB 4.16Å; Q694-R696 PolarHBondContact O-N 3.1Å; R696-S698 VanDerWaalsContact C-N 3.33Å; R696-S698 PolarHBondContact O-N 3.41Å; R696-D699 IonicContact CZ-OD2 2.89Å; R696-D699 IonicContact NE-OD2 2.88Å; R696-D699 IonicContact NH1-OD2 3.47Å; R696-D699 PolarHBondContact NH1-OD2 3.09Å; R696-D699 IonicContact NH2-OD2 2.89Å; R696-D699 PolarHBondContact NH2-OD2 3.1Å; R696-D699 PolarHBondContact O-N 3.38Å; R696-D699 VanDerWaalsContact O-N 3.14Å; R696-L700 PolarHBondContact O-N 3.47Å
697	L	94	Very high	93.4	Very high	23 Å²	23	46.5 Å²	46.5	12%	0.12	24%	0.239	C	C	.	.	H	α-helix	trans	-56.7	-42.1	-175.5	177.7	63.5	0	0	0	113.3	Y690 Q694 H695 D699 L700 Q701 I741	Y690-L697 HydrophobicContact CE1-CD1 4.38Å; Q694-L697 HydrophobicContact CB-CB 4.04Å; Q694-L697 HydrophobicContact CB-CD2 3.86Å; Q694-L697 HydrophobicContact CG-CD2 4Å; Q694-L697 VanDerWaalsContact O-CB 3.27Å; Q694-L697 WeakPolarHBondContact O-CB 3.47Å; Q694-L697 PolarHBondContact O-N 2.93Å; H695-L697 PolarHBondContact O-N 3.15Å; H695-L697 VanDerWaalsContact O-N 3.14Å; L697-D699 VanDerWaalsContact C-N 3.3Å; L697-D699 PolarHBondContact O-N 3.29Å; L697-L700 PolarHBondContact O-N 2.85Å; L697-Q701 HydrophobicContact CD1-CG 4.08Å; L697-Q701 HydrophobicContact CG-CG 4.36Å; L697-Q701 WeakPolarHBondContact O-CB 3.43Å; L697-Q701 VanDerWaalsContact O-CG 3.26Å; L697-Q701 WeakPolarHBondContact O-CG 3.22Å; L697-Q701 PolarHBondContact O-N 2.87Å; L697-I741 HydrophobicContact CD1-CB 4.4Å; L697-I741 HydrophobicContact CD1-CD1 4.39Å; L697-I741 HydrophobicContact CD1-CG1 3.93Å; L697-I741 HydrophobicContact CD1-CG2 3.95Å
698	S	92.5	Very high	93.4	Very high	80 Å²	80	49.4 Å²	49.4	56%	0.559	25%	0.254	S	S	*	.	H	α-helix	trans	-57.9	-42.7	178.7	53.9	0	0	0	0	112.7	R696 Q701 G702	R696-S698 VanDerWaalsContact C-N 3.33Å; R696-S698 PolarHBondContact O-N 3.41Å; S698-Q701 PolarHBondContact O-N 3.02Å; S698-G702 PolarHBondContact O-N 2.67Å
699	D	95.2	Very high	93.3	Very high	62 Å²	62	57.9 Å²	57.9	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-77.6	-38	-173.4	-63.7	12.3	0	0	0	109.9	V661 R696 L697 G702 S703	V661-D699 HydrophobicContact CG1-CB 3.95Å; R696-D699 IonicContact CZ-OD2 2.89Å; R696-D699 IonicContact NE-OD2 2.88Å; R696-D699 IonicContact NH1-OD2 3.47Å; R696-D699 PolarHBondContact NH1-OD2 3.09Å; R696-D699 IonicContact NH2-OD2 2.89Å; R696-D699 PolarHBondContact NH2-OD2 3.1Å; R696-D699 PolarHBondContact O-N 3.38Å; R696-D699 VanDerWaalsContact O-N 3.14Å; L697-D699 VanDerWaalsContact C-N 3.3Å; L697-D699 PolarHBondContact O-N 3.29Å; D699-G702 PolarHBondContact O-N 2.76Å; D699-S703 WeakPolarHBondContact O-CB 3.33Å; D699-S703 PolarHBondContact O-N 3.01Å; D699-S703 PolarHBondContact O-OG 2.94Å
700	L	95.1	Very high	93.3	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-49.9	170.1	-179	61.2	0	0	0	110.7	V661 I664 M681 M685 Y690 R696 L697 G702 S703 L704	V661-L700 HydrophobicContact CG2-CB 4.11Å; V661-L700 HydrophobicContact CG2-CD1 4.3Å; I664-L700 HydrophobicContact CD1-CD1 4.32Å; M681-L700 HydrophobicContact CG-CD1 4.06Å; M681-L700 HydrophobicContact CG-CD2 3.87Å; M681-L700 HydrophobicContact SD-CD2 4.22Å; M685-L700 HydrophobicContact SD-CD2 4.34Å; Y690-L700 WeakPolarHBondContact OH-CD2 3.47Å; R696-L700 PolarHBondContact O-N 3.47Å; L697-L700 PolarHBondContact O-N 2.85Å; L700-G702 VanDerWaalsContact C-N 3.33Å; L700-G702 PolarHBondContact O-N 2.98Å; L700-S703 WeakPolarHBondContact O-CB 3.5Å; L700-S703 PolarHBondContact O-N 3.49Å; L700-S703 VanDerWaalsContact O-N 3.11Å; L700-L704 HydrophobicContact CD1-CD1 4.13Å; L700-L704 HydrophobicContact CD1-CD2 4.21Å; L700-L704 HydrophobicContact CD1-CG 3.99Å; L700-L704 HydrophobicContact CG-CD1 3.89Å; L700-L704 HydrophobicContact CG-CG 4.18Å; L700-L704 VanDerWaalsContact O-CG 3.25Å; L700-L704 WeakPolarHBondContact O-CG 3.24Å; L700-L704 PolarHBondContact O-N 3.45Å
701	Q	94	Very high	92.9	Very high	28 Å²	28	65.1 Å²	65.1	13%	0.131	32%	0.316	C	S	.	.	H	α-helix	trans	-57.6	-44.4	177.8	-76.5	175.4	-25.8	0	0	112.5	L697 S698 S703 L704 K705 I741	L697-Q701 HydrophobicContact CD1-CG 4.08Å; L697-Q701 HydrophobicContact CG-CG 4.36Å; L697-Q701 WeakPolarHBondContact O-CB 3.43Å; L697-Q701 VanDerWaalsContact O-CG 3.26Å; L697-Q701 WeakPolarHBondContact O-CG 3.22Å; L697-Q701 PolarHBondContact O-N 2.87Å; S698-Q701 PolarHBondContact O-N 3.02Å; Q701-S703 VanDerWaalsContact C-N 3.31Å; Q701-S703 PolarHBondContact O-N 3.06Å; Q701-L704 PolarHBondContact O-N 3Å; Q701-K705 WeakPolarHBondContact O-CB 3.25Å; Q701-K705 VanDerWaalsContact O-CG 3.31Å; Q701-K705 WeakPolarHBondContact O-CG 3.24Å; Q701-K705 PolarHBondContact O-N 3Å; Q701-I741 HydrophobicContact CG-CG2 3.82Å; Q701-I741 WeakPolarHBondContact CG-O 3.37Å; Q701-I741 PolarHBondContact NE2-O 3.37Å
702	G	93.6	Very high	92.3	Very high	43 Å²	43	68.9 Å²	68.9	44%	0.443	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-44.7	175.3	0	0	0	0	0	111.9	S698 D699 L700 R706	S698-G702 PolarHBondContact O-N 2.67Å; D699-G702 PolarHBondContact O-N 2.76Å; L700-G702 VanDerWaalsContact C-N 3.33Å; L700-G702 PolarHBondContact O-N 2.98Å; G702-R706 WeakPolarHBondContact O-CB 3.24Å; G702-R706 PolarHBondContact O-N 3.37Å
703	S	95.1	Very high	91.7	Very high	10 Å²	10	66 Å²	66	7%	0.07	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-45.2	179.2	-57.7	0	0	0	0	112.7	S665 D699 L700 Q701 R706 I707	S665-S703 PolarHBondContact OG-OG 3.26Å; D699-S703 WeakPolarHBondContact O-CB 3.33Å; D699-S703 PolarHBondContact O-N 3.01Å; D699-S703 PolarHBondContact O-OG 2.94Å; L700-S703 WeakPolarHBondContact O-CB 3.5Å; L700-S703 PolarHBondContact O-N 3.49Å; L700-S703 VanDerWaalsContact O-N 3.11Å; Q701-S703 VanDerWaalsContact C-N 3.31Å; Q701-S703 PolarHBondContact O-N 3.06Å; S703-R706 WeakPolarHBondContact O-CB 3.37Å; S703-R706 PolarHBondContact O-N 3.39Å; S703-I707 VanDerWaalsContact O-CG1 3.31Å; S703-I707 WeakPolarHBondContact O-CG1 3.23Å; S703-I707 PolarHBondContact O-N 3.18Å
704	L	95.1	Very high	90.4	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-44	177.7	-64.8	176.4	0	0	0	111.6	L678 L700 Q701 R706 I707 L708 V731 I734 F735 I741	L678-L704 HydrophobicContact CD2-CD2 3.7Å; L700-L704 HydrophobicContact CD1-CD1 4.13Å; L700-L704 HydrophobicContact CD1-CD2 4.21Å; L700-L704 HydrophobicContact CD1-CG 3.99Å; L700-L704 HydrophobicContact CG-CD1 3.89Å; L700-L704 HydrophobicContact CG-CG 4.18Å; L700-L704 VanDerWaalsContact O-CG 3.25Å; L700-L704 WeakPolarHBondContact O-CG 3.24Å; L700-L704 PolarHBondContact O-N 3.45Å; Q701-L704 PolarHBondContact O-N 3Å; L704-R706 VanDerWaalsContact C-N 3.31Å; L704-R706 PolarHBondContact O-N 3.29Å; L704-I707 PolarHBondContact O-N 3.43Å; L704-L708 PolarHBondContact O-N 3.24Å; L704-L708 VanDerWaalsContact O-N 3.15Å; L704-V731 HydrophobicContact CB-CG1 3.89Å; L704-V731 HydrophobicContact CD2-CB 4.38Å; L704-V731 HydrophobicContact CD2-CG1 4.04Å; L704-V731 HydrophobicContact CD2-CG2 3.69Å; L704-V731 HydrophobicContact CG-CG1 4.46Å; L704-I734 HydrophobicContact CD1-CG2 4.22Å; L704-I734 HydrophobicContact CD2-CD1 4.38Å; L704-F735 HydrophobicContact CB-CE1 4.3Å; L704-F735 HydrophobicContact CB-CE2 4.21Å; L704-F735 HydrophobicContact CB-CZ 3.59Å; L704-F735 HydrophobicContact CD1-CE1 3.98Å; L704-F735 HydrophobicContact CD1-CZ 4.1Å; L704-F735 HydrophobicContact CG-CZ 4.5Å; L704-I741 HydrophobicContact CD1-CG2 4.34Å
705	K	93.9	Very high	89.2	Confident	75 Å²	75	69.4 Å²	69.4	33%	0.326	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-36.1	175.6	-72.8	174	-177.8	174.1	0	111.8	Q701 R709	Q701-K705 WeakPolarHBondContact O-CB 3.25Å; Q701-K705 VanDerWaalsContact O-CG 3.31Å; Q701-K705 WeakPolarHBondContact O-CG 3.24Å; Q701-K705 PolarHBondContact O-N 3Å; K705-R709 WeakPolarHBondContact O-CG 3.35Å; K705-R709 PolarHBondContact O-N 2.78Å
706	R	94.8	Very high	88.2	Confident	101 Å²	101	69.9 Å²	69.9	38%	0.381	37%	0.368	S	S	.	.	H	α-helix	trans	-62.3	-49.1	173.8	-179.7	-172.5	66.5	140.4	-2.5	110.8	I664 S665 G702 S703 L704 L708 R709 E710	I664-R706 PolarHBondContact O-NH2 2.91Å; I664-R706 VanDerWaalsContact O-NH2 3.16Å; S665-R706 PolarHBondContact O-NH1 3.16Å; S665-R706 PolarHBondContact O-NH2 3.15Å; G702-R706 WeakPolarHBondContact O-CB 3.24Å; G702-R706 PolarHBondContact O-N 3.37Å; S703-R706 WeakPolarHBondContact O-CB 3.37Å; S703-R706 PolarHBondContact O-N 3.39Å; L704-R706 VanDerWaalsContact C-N 3.31Å; L704-R706 PolarHBondContact O-N 3.29Å; R706-L708 VanDerWaalsContact C-N 3.32Å; R706-L708 PolarHBondContact O-N 3.28Å; R706-R709 WeakPolarHBondContact O-CB 3.23Å; R706-R709 PolarHBondContact O-N 2.89Å; R706-E710 PolarHBondContact O-N 3.22Å
707	I	94.4	Very high	87.6	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-59.6	-41	-178.6	-68.3	164	0	0	0	111.6	I664 L678 S703 L704 R709 E710 D727 V731	I664-I707 HydrophobicContact CG2-CD1 3.79Å; L678-I707 HydrophobicContact CD1-CD1 4.3Å; L678-I707 HydrophobicContact CD2-CD1 4.18Å; S703-I707 VanDerWaalsContact O-CG1 3.31Å; S703-I707 WeakPolarHBondContact O-CG1 3.23Å; S703-I707 PolarHBondContact O-N 3.18Å; L704-I707 PolarHBondContact O-N 3.43Å; I707-R709 PolarHBondContact O-N 3.46Å; I707-E710 WeakPolarHBondContact O-CB 3.43Å; I707-E710 PolarHBondContact O-N 3.07Å; I707-D727 HydrophobicContact CG2-CB 3.98Å; I707-V731 HydrophobicContact CB-CG2 4.34Å; I707-V731 HydrophobicContact CD1-CG2 4.49Å; I707-V731 HydrophobicContact CG2-CG2 3.96Å
708	L	92.6	Very high	87	Confident	64 Å²	64	78.2 Å²	78.2	34%	0.335	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-25.4	175.8	-71.7	-174.1	0	0	0	114.1	L704 R706 K728 V731 Q732 F735	L704-L708 PolarHBondContact O-N 3.24Å; L704-L708 VanDerWaalsContact O-N 3.15Å; R706-L708 VanDerWaalsContact C-N 3.32Å; R706-L708 PolarHBondContact O-N 3.28Å; L708-K728 HydrophobicContact CD2-CB 4.42Å; L708-V731 HydrophobicContact CD1-CG1 4.1Å; L708-V731 HydrophobicContact CD2-CB 4.1Å; L708-V731 HydrophobicContact CD2-CG1 3.85Å; L708-V731 HydrophobicContact CG-CB 4.45Å; L708-V731 HydrophobicContact CG-CG1 3.71Å; L708-Q732 HydrophobicContact CD2-CG 3.99Å; L708-F735 HydrophobicContact CD1-CD2 3.89Å; L708-F735 HydrophobicContact CD1-CE2 3.53Å; L708-F735 HydrophobicContact CG-CE2 4.37Å
709	R	92.3	Very high	86.5	Confident	198 Å²	198	75.7 Å²	75.7	75%	0.747	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.3	179.2	-67.1	173.9	-176	-178	1.5	113.1	K705 R706 I707 E711	K705-R709 WeakPolarHBondContact O-CG 3.35Å; K705-R709 PolarHBondContact O-N 2.78Å; R706-R709 WeakPolarHBondContact O-CB 3.23Å; R706-R709 PolarHBondContact O-N 2.89Å; I707-R709 PolarHBondContact O-N 3.46Å; R709-E711 PolarHBondContact O-N 3.49Å
710	E	90.9	Very high	86	Confident	25 Å²	25	74 Å²	74	12%	0.117	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-64.8	125.3	178.1	-69.4	174.7	-175.9	0	0	110.1	P669 R674 R706 I707 K728	P669-E710 WeakPolarHBondContact CB-OE2 3.4Å; P669-E710 HydrophobicContact CG-CG 4.45Å; R674-E710 IonicContact CZ-OE1 3.3Å; R674-E710 IonicContact CZ-OE2 2.72Å; R674-E710 IonicContact NH1-OE1 3.2Å; R674-E710 PolarHBondContact NH1-OE1 3.09Å; R674-E710 IonicContact NH1-OE2 2.78Å; R674-E710 PolarHBondContact NH1-OE2 2.95Å; R674-E710 IonicContact NH2-OE1 3.34Å; R674-E710 IonicContact NH2-OE2 3.29Å; R674-E710 PolarHBondContact NH2-OE2 2.73Å; R706-E710 PolarHBondContact O-N 3.22Å; I707-E710 WeakPolarHBondContact O-CB 3.43Å; I707-E710 PolarHBondContact O-N 3.07Å; E710-K728 WeakPolarHBondContact O-CE 3.21Å; E710-K728 PolarHBondContact O-NZ 3.09Å
711	E	84.1	Confident	85.5	Confident	174 Å²	174	75.9 Å²	75.9	81%	0.813	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-79.4	151.7	178.1	-64.3	-178	174.5	0	0	110.7	R709	R709-E711 PolarHBondContact O-N 3.49Å
712	E	76.1	Confident	85.2	Confident	129 Å²	129	78.7 Å²	78.7	60%	0.603	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-84	119.5	171.3	-68.7	179.3	-176.1	0	0	108.2
713	D	76.4	Confident	85	Confident	94 Å²	94	76.8 Å²	76.8	50%	0.503	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-85.6	122.3	176.3	-174.6	-17.3	0	0	0	109	G715 E716	D713-G715 PolarHBondContact O-N 3.39Å; D713-G715 PolarHBondContact OD1-N 3.39Å; D713-E716 HydrophobicContact CB-CG 3.8Å; D713-E716 WeakPolarHBondContact CB-OE1 3.38Å; D713-E716 PolarHBondContact O-N 3.18Å
714	P	64.6	Low	84.8	Confident	139 Å²	139	77 Å²	77	90%	0.903	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-4.9	-179.2	25	-33.6	0	0	0	114.8
715	G	68.8	Low	84.6	Confident	69 Å²	69	81.3 Å²	81.3	71%	0.711	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	5.2	176.2	0	0	0	0	0	116.4	D713	D713-G715 PolarHBondContact O-N 3.39Å; D713-G715 PolarHBondContact OD1-N 3.39Å
716	E	74.5	Confident	84.6	Confident	64 Å²	64	81.4 Å²	81.4	30%	0.299	43%	0.431	S	S	.	.	S	Bend	trans	-82.3	153.3	-173.6	-80.6	174.2	-173.1	0	0	115	D713 K724	D713-E716 HydrophobicContact CB-CG 3.8Å; D713-E716 WeakPolarHBondContact CB-OE1 3.38Å; D713-E716 PolarHBondContact O-N 3.18Å; E716-K724 IonicContact OE1-NZ 3.82Å; E716-K724 PolarHBondContact OE1-NZ 3.38Å; E716-K724 WeakPolarHBondContact OE2-CD 3.47Å; E716-K724 WeakPolarHBondContact OE2-CE 3.35Å; E716-K724 IonicContact OE2-NZ 2.8Å; E716-K724 PolarHBondContact OE2-NZ 3.23Å
717	D	81.3	Confident	84.6	Confident	118 Å²	118	76.6 Å²	76.6	63%	0.631	41%	0.413	S	S	*	.			trans	-57.2	137.2	172	177.5	59.7	0	0	0	111.2	G719 S720 A721	D717-G719 PolarHBondContact O-N 3.19Å; D717-G719 VanDerWaalsContact O-N 3.13Å; D717-G719 PolarHBondContact OD2-N 3.32Å; D717-S720 WeakPolarHBondContact O-CB 3.42Å; D717-S720 PolarHBondContact O-N 3.19Å; D717-A721 PolarHBondContact O-N 2.91Å
718	E	82	Confident	84.6	Confident	169 Å²	169	78.1 Å²	78.1	79%	0.79	42%	0.419	S	S	*	.	H	α-helix	trans	-56.4	-34.2	-177.7	-73.5	-170.5	166.9	0	0	112.1	T722	E718-T722 WeakPolarHBondContact O-CB 3.29Å; E718-T722 PolarHBondContact O-N 3.5Å; E718-T722 PolarHBondContact O-OG1 2.95Å
719	G	81.4	Confident	84.7	Confident	27 Å²	27	78.5 Å²	78.5	28%	0.278	42%	0.421	S	S	.	.	H	α-helix	trans	-67.1	-42	176.4	0	0	0	0	0	112.7	D717 A723	D717-G719 PolarHBondContact O-N 3.19Å; D717-G719 VanDerWaalsContact O-N 3.13Å; D717-G719 PolarHBondContact OD2-N 3.32Å; G719-A723 WeakPolarHBondContact O-CB 3.44Å; G719-A723 PolarHBondContact O-N 3.48Å
720	S	84.4	Confident	84.9	Confident	26 Å²	26	70.1 Å²	70.1	18%	0.182	39%	0.391	C	S	.	.	H	α-helix	trans	-65.6	-45.5	175.3	173.7	0	0	0	0	111.5	G670 D717 T722 A723 K724	G670-S720 WeakPolarHBondContact CA-OG 3.31Å; D717-S720 WeakPolarHBondContact O-CB 3.42Å; D717-S720 PolarHBondContact O-N 3.19Å; S720-T722 VanDerWaalsContact C-N 3.34Å; S720-T722 PolarHBondContact O-N 2.9Å; S720-A723 PolarHBondContact O-N 2.71Å; S720-K724 WeakPolarHBondContact O-CG 3.14Å; S720-K724 PolarHBondContact O-N 2.82Å
721	A	85.9	Confident	85.1	Confident	40 Å²	40	68.9 Å²	68.9	33%	0.331	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-44	178	0	0	0	0	0	111.6	D717 A723 K724 H725	D717-A721 PolarHBondContact O-N 2.91Å; A721-A723 VanDerWaalsContact C-N 3.35Å; A721-A723 PolarHBondContact O-N 3.28Å; A721-K724 PolarHBondContact O-N 2.93Å; A721-H725 PolarHBondContact O-N 3.47Å
722	T	87.8	Confident	85.6	Confident	88 Å²	88	65.7 Å²	65.7	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-42.7	175.7	-55.9	0	0	0	0	111.5	E718 S720 H725 M726	E718-T722 WeakPolarHBondContact O-CB 3.29Å; E718-T722 PolarHBondContact O-N 3.5Å; E718-T722 PolarHBondContact O-OG1 2.95Å; S720-T722 VanDerWaalsContact C-N 3.34Å; S720-T722 PolarHBondContact O-N 2.9Å; T722-H725 PolarHBondContact O-N 2.81Å; T722-M726 WeakPolarHBondContact O-CG 3.46Å; T722-M726 PolarHBondContact O-N 2.9Å
723	A	89.1	Confident	86.5	Confident	3 Å²	3	63 Å²	63	3%	0.025	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-44.8	177.7	0	0	0	0	0	112.2	K672 M675 G719 S720 A721 H725 M726 D727	K672-A723 HydrophobicContact CG-CB 4.49Å; M675-A723 HydrophobicContact CE-CB 3.6Å; G719-A723 WeakPolarHBondContact O-CB 3.44Å; G719-A723 PolarHBondContact O-N 3.48Å; S720-A723 PolarHBondContact O-N 2.71Å; A721-A723 VanDerWaalsContact C-N 3.35Å; A721-A723 PolarHBondContact O-N 3.28Å; A723-H725 VanDerWaalsContact C-N 3.32Å; A723-H725 PolarHBondContact O-N 2.81Å; A723-M726 PolarHBondContact O-N 3.36Å; A723-D727 PolarHBondContact O-N 3.48Å
724	K	90.1	Very high	87.3	Confident	14 Å²	14	58.6 Å²	58.6	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-40.6	174.8	-69.1	-179.1	-176.2	-165.5	0	112.8	P669 E716 S720 A721 M726 D727 K728	P669-K724 HydrophobicContact CB-CD 4.14Å; P669-K724 HydrophobicContact CB-CG 4.32Å; P669-K724 WeakPolarHBondContact O-CE 3.46Å; E716-K724 IonicContact OE1-NZ 3.82Å; E716-K724 PolarHBondContact OE1-NZ 3.38Å; E716-K724 WeakPolarHBondContact OE2-CD 3.47Å; E716-K724 WeakPolarHBondContact OE2-CE 3.35Å; E716-K724 IonicContact OE2-NZ 2.8Å; E716-K724 PolarHBondContact OE2-NZ 3.23Å; S720-K724 WeakPolarHBondContact O-CG 3.14Å; S720-K724 PolarHBondContact O-N 2.82Å; A721-K724 PolarHBondContact O-N 2.93Å; K724-M726 VanDerWaalsContact C-N 3.34Å; K724-D727 PolarHBondContact O-N 3.07Å; K724-K728 WeakPolarHBondContact O-CG 3.28Å; K724-K728 PolarHBondContact O-N 3.4Å; K724-K728 VanDerWaalsContact O-N 3.15Å
725	H	91.8	Very high	88.7	Confident	91 Å²	91	53.3 Å²	53.3	42%	0.421	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-44.2	176.8	-172.5	76.3	0	0	0	111	A721 T722 A723 D727 K728 L729	A721-H725 PolarHBondContact O-N 3.47Å; T722-H725 PolarHBondContact O-N 2.81Å; A723-H725 VanDerWaalsContact C-N 3.32Å; A723-H725 PolarHBondContact O-N 2.81Å; H725-D727 PolarHBondContact O-N 2.94Å; H725-K728 PolarHBondContact O-N 3.36Å; H725-L729 WeakPolarHBondContact O-CG 3.17Å; H725-L729 PolarHBondContact O-N 2.73Å
726	M	93.6	Very high	89.8	Confident	76 Å²	76	57.5 Å²	57.5	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-42.2	175.8	-74.7	-55.5	-55.2	0	0	112.7	M675 T722 A723 K724 K728 L729 I730	M675-M726 HydrophobicContact CE-CB 4.13Å; M675-M726 HydrophobicContact SD-CB 4.41Å; T722-M726 WeakPolarHBondContact O-CG 3.46Å; T722-M726 PolarHBondContact O-N 2.9Å; A723-M726 PolarHBondContact O-N 3.36Å; K724-M726 VanDerWaalsContact C-N 3.34Å; M726-K728 VanDerWaalsContact C-N 3.32Å; M726-K728 PolarHBondContact O-N 3.08Å; M726-L729 PolarHBondContact O-N 2.98Å; M726-L729 HydrophobicContact SD-CD1 4Å; M726-I730 WeakPolarHBondContact O-CG1 3.37Å; M726-I730 PolarHBondContact O-N 2.81Å
727	D	94.8	Very high	90.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-54.9	-49.6	174.3	-67.4	-27.8	0	0	0	110.9	R674 M675 L678 I707 A723 K724 H725 L729 I730 V731	R674-D727 IonicContact CZ-OD2 3.77Å; R674-D727 IonicContact NE-OD2 3.65Å; R674-D727 PolarHBondContact NE-OD2 3.06Å; R674-D727 IonicContact NH2-OD2 3.67Å; R674-D727 PolarHBondContact NH2-OD2 3.42Å; M675-D727 VanDerWaalsContact CA-OD1 3.22Å; M675-D727 WeakPolarHBondContact CA-OD1 3.32Å; M675-D727 VanDerWaalsContact CB-OD1 3.25Å; M675-D727 WeakPolarHBondContact CB-OD1 3.23Å; M675-D727 PolarHBondContact N-OD1 2.93Å; M675-D727 VanDerWaalsContact N-OD1 3.11Å; L678-D727 HydrophobicContact CD1-CB 3.84Å; I707-D727 HydrophobicContact CG2-CB 3.98Å; A723-D727 PolarHBondContact O-N 3.48Å; K724-D727 PolarHBondContact O-N 3.07Å; H725-D727 PolarHBondContact O-N 2.94Å; D727-L729 VanDerWaalsContact C-N 3.33Å; D727-L729 PolarHBondContact O-N 2.99Å; D727-I730 PolarHBondContact O-N 2.95Å; D727-V731 VanDerWaalsContact O-CG2 3.27Å; D727-V731 WeakPolarHBondContact O-CG2 3.48Å; D727-V731 PolarHBondContact O-N 2.76Å
728	K	94.3	Very high	91	Very high	32 Å²	32	54 Å²	54	14%	0.139	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-41.3	178.9	-70.1	175.3	-178.5	175.1	0	112.2	L708 E710 K724 H725 M726 V731 Q732	L708-K728 HydrophobicContact CD2-CB 4.42Å; E710-K728 WeakPolarHBondContact O-CE 3.21Å; E710-K728 PolarHBondContact O-NZ 3.09Å; K724-K728 WeakPolarHBondContact O-CG 3.28Å; K724-K728 PolarHBondContact O-N 3.4Å; K724-K728 VanDerWaalsContact O-N 3.15Å; H725-K728 PolarHBondContact O-N 3.36Å; M726-K728 VanDerWaalsContact C-N 3.32Å; M726-K728 PolarHBondContact O-N 3.08Å; K728-V731 PolarHBondContact O-N 3.42Å; K728-Q732 WeakPolarHBondContact O-CB 3.3Å; K728-Q732 VanDerWaalsContact O-CG 3.24Å; K728-Q732 WeakPolarHBondContact O-CG 3.18Å; K728-Q732 PolarHBondContact O-N 3.33Å
729	L	95.4	Very high	91.1	Very high	72 Å²	72	49.1 Å²	49.1	38%	0.377	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-43.8	177.7	-71.6	177.6	0	0	0	111.9	H725 M726 D727 Q732 Q733	H725-L729 WeakPolarHBondContact O-CG 3.17Å; H725-L729 PolarHBondContact O-N 2.73Å; M726-L729 PolarHBondContact O-N 2.98Å; M726-L729 HydrophobicContact SD-CD1 4Å; D727-L729 VanDerWaalsContact C-N 3.33Å; D727-L729 PolarHBondContact O-N 2.99Å; L729-Q732 PolarHBondContact O-N 2.68Å; L729-Q733 PolarHBondContact O-N 3.42Å
730	I	95.3	Very high	91	Very high	22 Å²	22	54.4 Å²	54.4	11%	0.113	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-45.1	177.1	-62.9	162	0	0	0	110	M675 L678 S679 M726 D727 Q732 Q733 I734	M675-I730 HydrophobicContact CB-CD1 3.84Å; L678-I730 HydrophobicContact CB-CB 4.48Å; L678-I730 HydrophobicContact CB-CG2 3.84Å; S679-I730 WeakPolarHBondContact OG-CD1 3.49Å; M726-I730 WeakPolarHBondContact O-CG1 3.37Å; M726-I730 PolarHBondContact O-N 2.81Å; D727-I730 PolarHBondContact O-N 2.95Å; I730-Q732 VanDerWaalsContact C-N 3.34Å; I730-Q732 PolarHBondContact O-N 3.17Å; I730-Q733 WeakPolarHBondContact O-CB 3.48Å; I730-Q733 VanDerWaalsContact O-N 3.14Å; I730-Q733 PolarHBondContact O-N 2.68Å; I730-I734 HydrophobicContact CG2-CD1 4.07Å; I730-I734 HydrophobicContact CG2-CG1 4.46Å; I730-I734 WeakPolarHBondContact O-CG1 3.41Å; I730-I734 PolarHBondContact O-N 3.48Å
731	V	95.2	Very high	90.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.9	-42.4	177.5	176.1	0	0	0	0	111.8	L678 L704 I707 L708 D727 K728 Q733 I734 F735	L678-V731 HydrophobicContact CD1-CG2 4.17Å; L678-V731 HydrophobicContact CD2-CG2 4.06Å; L704-V731 HydrophobicContact CB-CG1 3.89Å; L704-V731 HydrophobicContact CD2-CB 4.38Å; L704-V731 HydrophobicContact CD2-CG1 4.04Å; L704-V731 HydrophobicContact CD2-CG2 3.69Å; L704-V731 HydrophobicContact CG-CG1 4.46Å; I707-V731 HydrophobicContact CB-CG2 4.34Å; I707-V731 HydrophobicContact CD1-CG2 4.49Å; I707-V731 HydrophobicContact CG2-CG2 3.96Å; L708-V731 HydrophobicContact CD1-CG1 4.1Å; L708-V731 HydrophobicContact CD2-CB 4.1Å; L708-V731 HydrophobicContact CD2-CG1 3.85Å; L708-V731 HydrophobicContact CG-CB 4.45Å; L708-V731 HydrophobicContact CG-CG1 3.71Å; D727-V731 VanDerWaalsContact O-CG2 3.27Å; D727-V731 WeakPolarHBondContact O-CG2 3.48Å; D727-V731 PolarHBondContact O-N 2.76Å; K728-V731 PolarHBondContact O-N 3.42Å; V731-Q733 VanDerWaalsContact C-N 3.31Å; V731-Q733 PolarHBondContact O-N 3.01Å; V731-I734 PolarHBondContact O-N 3.38Å; V731-F735 HydrophobicContact CG1-CZ 4.21Å; V731-F735 PolarHBondContact O-N 3.07Å; V731-F735 WeakPolarHBondContact O-CD2 2.92Å; V731-F735 VanDerWaalsContact CG1-CE2 3.49Å; V731-F735 HydrophobicContact CG1-CE2 3.49Å; V731-F735 HydrophobicContact CG1-CD2 3.87Å
732	Q	94.3	Very high	90	Very high	106 Å²	106	54.6 Å²	54.6	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-40.3	175.3	-73.8	172.1	9.4	0	0	111.8	L708 K728 L729 I730 F735 K736	L708-Q732 HydrophobicContact CD2-CG 3.99Å; K728-Q732 WeakPolarHBondContact O-CB 3.3Å; K728-Q732 VanDerWaalsContact O-CG 3.24Å; K728-Q732 WeakPolarHBondContact O-CG 3.18Å; K728-Q732 PolarHBondContact O-N 3.33Å; L729-Q732 PolarHBondContact O-N 2.68Å; I730-Q732 VanDerWaalsContact C-N 3.34Å; I730-Q732 PolarHBondContact O-N 3.17Å; Q732-F735 PolarHBondContact O-N 3.04Å; Q732-K736 WeakPolarHBondContact O-CB 3.48Å; Q732-K736 PolarHBondContact O-N 3.41Å
733	Q	94.8	Very high	88.9	Confident	73 Å²	73	55.5 Å²	55.5	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176.3	-172.3	63.5	15.7	0	0	111.6	L729 I730 V731 F735 K736 E737	L729-Q733 PolarHBondContact O-N 3.42Å; I730-Q733 WeakPolarHBondContact O-CB 3.48Å; I730-Q733 VanDerWaalsContact O-N 3.14Å; I730-Q733 PolarHBondContact O-N 2.68Å; V731-Q733 VanDerWaalsContact C-N 3.31Å; V731-Q733 PolarHBondContact O-N 3.01Å; Q733-F735 PolarHBondContact O-N 3.49Å; Q733-K736 WeakPolarHBondContact O-CB 3.45Å; Q733-K736 PolarHBondContact O-N 3.19Å; Q733-E737 PolarHBondContact NE2-OE1 3.44Å; Q733-E737 PolarHBondContact O-N 3.11Å
734	I	93.8	Very high	87.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-56.9	-48.3	174.5	-69.9	170	0	0	0	110.6	H682 M685 L704 I730 V731 K736 E737 F738	H682-I734 HydrophobicContact CB-CD1 4.03Å; H682-I734 HydrophobicContact CB-CG1 3.85Å; M685-I734 HydrophobicContact CE-CG2 3.78Å; M685-I734 HydrophobicContact SD-CG2 4.28Å; L704-I734 HydrophobicContact CD1-CG2 4.22Å; L704-I734 HydrophobicContact CD2-CD1 4.38Å; I730-I734 HydrophobicContact CG2-CD1 4.07Å; I730-I734 HydrophobicContact CG2-CG1 4.46Å; I730-I734 WeakPolarHBondContact O-CG1 3.41Å; I730-I734 PolarHBondContact O-N 3.48Å; V731-I734 PolarHBondContact O-N 3.38Å; I734-K736 PolarHBondContact O-N 2.81Å; I734-K736 VanDerWaalsContact C-N 3.31Å; I734-E737 PolarHBondContact O-N 3.44Å; I734-F738 PolarHBondContact O-N 2.83Å
735	F	93.3	Very high	84.9	Confident	29 Å²	29	68 Å²	68	13%	0.127	34%	0.336	C	S	.	.	H	α-helix	trans	-67	-31.2	179	-71.5	-40.1	0	0	0	113.6	L704 L708 V731 Q732 Q733 F738 I741 C742	L704-F735 HydrophobicContact CB-CE1 4.3Å; L704-F735 HydrophobicContact CB-CE2 4.21Å; L704-F735 HydrophobicContact CB-CZ 3.59Å; L704-F735 HydrophobicContact CD1-CE1 3.98Å; L704-F735 HydrophobicContact CD1-CZ 4.1Å; L704-F735 HydrophobicContact CG-CZ 4.5Å; L708-F735 HydrophobicContact CD1-CD2 3.89Å; L708-F735 HydrophobicContact CD1-CE2 3.53Å; L708-F735 HydrophobicContact CG-CE2 4.37Å; V731-F735 HydrophobicContact CG1-CZ 4.21Å; V731-F735 PolarHBondContact O-N 3.07Å; V731-F735 WeakPolarHBondContact O-CD2 2.92Å; V731-F735 VanDerWaalsContact CG1-CE2 3.49Å; V731-F735 HydrophobicContact CG1-CE2 3.49Å; V731-F735 HydrophobicContact CG1-CD2 3.87Å; Q732-F735 PolarHBondContact O-N 3.04Å; Q733-F735 PolarHBondContact O-N 3.49Å; F735-F738 CarbonylContact O-C 3.56Å; F735-I741 HydrophobicContact CD1-CG2 4.5Å; F735-I741 HydrophobicContact CE1-CG2 4.14Å; F735-C742 HydrophobicContact CB-CB 4.42Å; F735-C742 HydrophobicContact CD1-CB 3.88Å; F735-C742 HydrophobicContact CE1-CB 4.46Å; F735-C742 HydrophobicContact CG-CB 4.3Å
736	K	92.5	Very high	82.2	Confident	157 Å²	157	75.1 Å²	75.1	68%	0.683	38%	0.377	S	S	*	.	H	α-helix	trans	-68.8	-43.7	176.4	-178.3	-177.9	174.6	-174	0	112.1	Q732 Q733 I734	Q732-K736 WeakPolarHBondContact O-CB 3.48Å; Q732-K736 PolarHBondContact O-N 3.41Å; Q733-K736 WeakPolarHBondContact O-CB 3.45Å; Q733-K736 PolarHBondContact O-N 3.19Å; I734-K736 PolarHBondContact O-N 2.81Å; I734-K736 VanDerWaalsContact C-N 3.31Å
737	E	91.4	Very high	81.6	Confident	81 Å²	81	75.1 Å²	75.1	38%	0.379	38%	0.377	S	S	.	.	H	α-helix	trans	-79.3	-31.1	-179	-72.1	-177.5	-167.7	0	0	112.9	H682 Q733 I734 P739	H682-E737 IonicContact CD2-OE2 4Å; H682-E737 IonicContact CE1-OE1 2.69Å; H682-E737 IonicContact CE1-OE2 3.86Å; H682-E737 IonicContact NE2-OE1 3.71Å; H682-E737 IonicContact NE2-OE2 3.67Å; H682-E737 PolarHBondContact NE2-OE2 3.09Å; Q733-E737 PolarHBondContact NE2-OE1 3.44Å; Q733-E737 PolarHBondContact O-N 3.11Å; I734-E737 PolarHBondContact O-N 3.44Å; E737-P739 VanDerWaalsContact C-CD 3.48Å; E737-P739 WeakPolarHBondContact O-CD 3.03Å
738	F	90.3	Very high	80.9	Confident	28 Å²	28	79.1 Å²	79.1	12%	0.123	40%	0.397	C	S	.	.			trans	-124	72.9	-178.6	-56.3	-88.3	0	0	0	111.6	H682 M685 H686 I734 F735 Q740 I741	H682-F738 AromaticContact CD2-CE2 3.98Å; M685-F738 HydrophobicContact CB-CE1 4.25Å; M685-F738 HydrophobicContact CB-CE2 4.07Å; M685-F738 HydrophobicContact CB-CZ 3.88Å; M685-F738 HydrophobicContact CE-CB 3.85Å; M685-F738 HydrophobicContact CE-CD1 4.03Å; M685-F738 HydrophobicContact CE-CD2 3.29Å; M685-F738 HydrophobicContact CE-CE1 4.42Å; M685-F738 HydrophobicContact CE-CE2 3.77Å; M685-F738 HydrophobicContact CE-CG 3.44Å; M685-F738 VanDerWaalsContact CE-CG 3.44Å; M685-F738 HydrophobicContact CE-CZ 4.31Å; H686-F738 HydrophobicContact CB-CZ 4.35Å; I734-F738 PolarHBondContact O-N 2.83Å; F735-F738 CarbonylContact O-C 3.56Å; F738-Q740 VanDerWaalsContact O-N 3.08Å; F738-Q740 PolarHBondContact O-N 2.91Å; F738-I741 HydrophobicContact CB-CD1 3.69Å; F738-I741 HydrophobicContact CB-CG1 4.12Å; F738-I741 HydrophobicContact CG-CD1 4.31Å; F738-I741 WeakPolarHBondContact O-CB 3.42Å; F738-I741 PolarHBondContact O-N 3.11Å
739	P	83.6	Confident	80.2	Confident	66 Å²	66	81.7 Å²	81.7	43%	0.429	41%	0.412	S	S	.	.	H	α-helix	trans	-58.2	-28.7	-177.9	-24.9	33.9	0	0	0	113.7	E737 I741 C742 D743	E737-P739 VanDerWaalsContact C-CD 3.48Å; E737-P739 WeakPolarHBondContact O-CD 3.03Å; P739-I741 PolarHBondContact O-N 3.37Å; P739-I741 VanDerWaalsContact O-N 3.08Å; P739-C742 WeakPolarHBondContact O-CA 3.21Å; P739-C742 VanDerWaalsContact O-CB 3.28Å; P739-C742 WeakPolarHBondContact O-CB 3.46Å; P739-C742 PolarHBondContact O-N 3.46Å; P739-D743 PolarHBondContact O-N 2.87Å
740	Q	80.4	Confident	79.3	Confident	137 Å²	137	82.2 Å²	82.2	64%	0.64	41%	0.414	S	S	*	.	H	α-helix	trans	-58.8	-22.3	177.7	-36.9	-171.1	43.6	0	0	112.9	F738	F738-Q740 VanDerWaalsContact O-N 3.08Å; F738-Q740 PolarHBondContact O-N 2.91Å
741	I	77.7	Confident	78.3	Confident	11 Å²	11	86 Å²	86	6%	0.056	43%	0.432	C	S	.	.	H	α-helix	trans	-89.6	-25.6	178	-59.5	175.8	0	0	0	110.6	M685 Y690 L697 Q701 L704 F735 F738 P739	M685-I741 HydrophobicContact CE-CD1 3.08Å; M685-I741 HydrophobicContact SD-CD1 3.98Å; Y690-I741 HydrophobicContact CE1-CD1 4.17Å; L697-I741 HydrophobicContact CD1-CB 4.4Å; L697-I741 HydrophobicContact CD1-CD1 4.39Å; L697-I741 HydrophobicContact CD1-CG1 3.93Å; L697-I741 HydrophobicContact CD1-CG2 3.95Å; Q701-I741 HydrophobicContact CG-CG2 3.82Å; Q701-I741 WeakPolarHBondContact CG-O 3.37Å; Q701-I741 PolarHBondContact NE2-O 3.37Å; L704-I741 HydrophobicContact CD1-CG2 4.34Å; F735-I741 HydrophobicContact CD1-CG2 4.5Å; F735-I741 HydrophobicContact CE1-CG2 4.14Å; F738-I741 HydrophobicContact CB-CD1 3.69Å; F738-I741 HydrophobicContact CB-CG1 4.12Å; F738-I741 HydrophobicContact CG-CD1 4.31Å; F738-I741 WeakPolarHBondContact O-CB 3.42Å; F738-I741 PolarHBondContact O-N 3.11Å; P739-I741 PolarHBondContact O-N 3.37Å; P739-I741 VanDerWaalsContact O-N 3.08Å
742	C	69.8	Low	77.2	Confident	59 Å²	59	91.7 Å²	91.7	40%	0.399	46%	0.461	S	S	.	.	H	α-helix	trans	-71.3	-41.6	169.1	-174.5	0	0	0	0	110.5	F735 P739 N744	F735-C742 HydrophobicContact CB-CB 4.42Å; F735-C742 HydrophobicContact CD1-CB 3.88Å; F735-C742 HydrophobicContact CE1-CB 4.46Å; F735-C742 HydrophobicContact CG-CB 4.3Å; P739-C742 WeakPolarHBondContact O-CA 3.21Å; P739-C742 VanDerWaalsContact O-CB 3.28Å; P739-C742 WeakPolarHBondContact O-CB 3.46Å; P739-C742 PolarHBondContact O-N 3.46Å; C742-N744 PolarHBondContact O-N 3.44Å
743	D	66.3	Low	76	Confident	108 Å²	108	90.7 Å²	90.7	58%	0.578	46%	0.459	S	S	*	.			trans	-91.3	90.7	-172.5	-70.3	-23.9	0	0	0	112.6	P739	P739-D743 PolarHBondContact O-N 2.87Å
744	N	49.8	Very low	74.5	Confident	109 Å²	109	92.1 Å²	92.1	58%	0.583	47%	0.468	S	S	*	.				-165.2	123.7	125.3	-103.5	-30.9	0	0	0	113.6	C742	C742-N744 PolarHBondContact O-N 3.44Å
745	Q	43.8	Very low	72.9	Confident	171 Å²	171	99.7 Å²	99.7	80%	0.799	51%	0.506	S	S	*	.			trans	61.7	117.2	145	-65.7	175.5	6.6	0	0	120
746	N	36.1	Very low	71.1	Confident	240 Å²	240	106.1 Å²	106.1	100%	1.283	54%	0.541	S	S	*	.			trans	2	0	145.8	-74.3	-17.6	0	0	0	117.9

Retrieved 746 of 746 residues in 251.1 ms (Link to these results)

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