A0A077ZJE5_TRITR Loading...

Peptidase M13 and Peptidase M13 N domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZJE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 707 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	76.5	Confident	86.3	Confident	67 Å²	67	50.8 Å²	50.8	33%	0.33	27%	0.266	S	S	.	.				0	153.5	0	71.5	-166	-42.8	0	0	113	L3 Y19 S20 L634 F637 L645	M1-L3 HydrophobicContact CE-CD2 3.47Å; M1-L3 VanDerWaalsContact CE-CD2 3.47Å; M1-L3 HydrophobicContact CG-CD2 4.28Å; M1-L3 HydrophobicContact CG-CG 4.38Å; M1-L3 HydrophobicContact SD-CD2 3.91Å; M1-L3 HydrophobicContact SD-CG 4.45Å; M1-Y19 CarbonylContact C-O 3.59Å; M1-Y19 VanDerWaalsContact C-O 3.31Å; M1-Y19 WeakPolarHBondContact CA-O 3.44Å; M1-Y19 WeakPolarHBondContact CB-O 3.32Å; M1-S20 WeakPolarHBondContact CA-O 3.44Å; M1-S20 PolarHBondContact N-O 3.34Å; M1-L634 HydrophobicContact SD-CD2 4.22Å; M1-F637 HydrophobicContact CE-CE1 4.45Å; M1-F637 HydrophobicContact CE-CE2 3.6Å; M1-F637 HydrophobicContact CE-CZ 3.48Å; M1-F637 VanDerWaalsContact CE-CZ 3.48Å; M1-F637 HydrophobicContact SD-CE2 4.23Å; M1-L645 HydrophobicContact CE-CD1 4Å; M1-L645 HydrophobicContact CE-CD2 3.95Å
2	N	79.6	Confident	86.3	Confident	41 Å²	41	47.1 Å²	47.1	22%	0.219	25%	0.246	C	C	.	.			trans	-115.7	103.7	165.7	-178.7	5.3	0	0	0	109.2	Q4 A5 R18 Y19	N2-Q4 PolarHBondContact O-N 2.87Å; N2-Q4 VanDerWaalsContact O-N 3.17Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.37Å; N2-Q4 PolarHBondContact OD1-N 2.99Å; N2-A5 PolarHBondContact O-N 3.32Å; N2-R18 HydrophobicContact CB-CB 4.33Å; N2-R18 WeakPolarHBondContact CB-O 3.41Å; N2-R18 PolarHBondContact N-O 3.49Å; N2-R18 VanDerWaalsContact N-O 3.15Å; N2-Y19 PolarHBondContact N-O 3.44Å
3	L	81.4	Confident	84.9	Confident	102 Å²	102	47.1 Å²	47.1	53%	0.534	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.8	-179.1	-63.9	176.8	0	0	0	114.1	M1 F637	M1-L3 HydrophobicContact CE-CD2 3.47Å; M1-L3 VanDerWaalsContact CE-CD2 3.47Å; M1-L3 HydrophobicContact CG-CD2 4.28Å; M1-L3 HydrophobicContact CG-CG 4.38Å; M1-L3 HydrophobicContact SD-CD2 3.91Å; M1-L3 HydrophobicContact SD-CG 4.45Å; L3-F637 HydrophobicContact CD2-CE2 3.97Å; L3-F637 HydrophobicContact CD2-CZ 3.55Å
4	Q	81.3	Confident	81.8	Confident	181 Å²	181	52.6 Å²	52.6	85%	0.846	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.3	175.6	-58.8	-179.1	-1.5	0	0	112.9	N2	N2-Q4 PolarHBondContact O-N 2.87Å; N2-Q4 VanDerWaalsContact O-N 3.17Å; N2-Q4 WeakPolarHBondContact OD1-CB 3.37Å; N2-Q4 PolarHBondContact OD1-N 2.99Å
5	A	83.9	Confident	79.2	Confident	8 Å²	8	56 Å²	56	7%	0.066	30%	0.296	C	S	.	.	S	Bend	trans	-83.2	147.6	177.2	0	0	0	0	0	110.9	N2 P7 R18 Y19	N2-A5 PolarHBondContact O-N 3.32Å; A5-P7 WeakPolarHBondContact O-CD 3.39Å; A5-R18 VanDerWaalsContact CB-N 3.26Å; A5-Y19 HydrophobicContact CB-CD2 4.36Å; A5-Y19 WeakPolarHBondContact O-CD2 3.45Å
6	D	89.7	Confident	76.6	Confident	76 Å²	76	64.1 Å²	64.1	41%	0.406	33%	0.329	S	S	.	.			trans	-81.7	117.9	172.4	170.2	24.6	0	0	0	110.3	C8 T9 D10	D6-C8 PolarHBondContact O-N 3.47Å; D6-C8 VanDerWaalsContact O-N 3.11Å; D6-C8 WeakPolarHBondContact OD1-CB 3.4Å; D6-C8 PolarHBondContact OD1-N 3.31Å; D6-T9 PolarHBondContact O-N 3.06Å; D6-T9 VanDerWaalsContact O-N 3.17Å; D6-T9 PolarHBondContact OD2-N 2.75Å; D6-T9 PolarHBondContact OD2-OG1 2.89Å; D6-D10 PolarHBondContact O-N 3.1Å
7	P	92	Very high	74.8	Confident	18 Å²	18	62.9 Å²	62.9	12%	0.117	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19	178	24.8	-33.7	0	0	0	113.7	A5 F11 Y19 F690 M698	A5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-F11 HydrophobicContact CB-CD2 3.69Å; P7-F11 HydrophobicContact CB-CE2 3.93Å; P7-Y19 HydrophobicContact CB-CD1 3.83Å; P7-Y19 HydrophobicContact CB-CD2 4.09Å; P7-Y19 HydrophobicContact CB-CE1 3.8Å; P7-Y19 HydrophobicContact CB-CE2 4.06Å; P7-Y19 HydrophobicContact CB-CG 3.95Å; P7-Y19 HydrophobicContact CG-CD2 4.42Å; P7-Y19 HydrophobicContact CG-CE1 4.43Å; P7-Y19 HydrophobicContact CG-CE2 4.06Å; P7-F690 HydrophobicContact CB-CB 4.42Å; P7-F690 HydrophobicContact CB-CD1 3.7Å; P7-F690 HydrophobicContact CB-CE1 4.25Å; P7-F690 HydrophobicContact CB-CG 4.16Å; P7-F690 HydrophobicContact CG-CB 4.27Å; P7-F690 HydrophobicContact CG-CD1 3.67Å; P7-F690 HydrophobicContact CG-CE1 4.46Å; P7-F690 HydrophobicContact CG-CG 4.28Å; P7-M698 WeakPolarHBondContact O-CG 3.12Å
8	C	94.3	Very high	74.1	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.034	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.9	-178	-56.9	0	0	0	0	113.9	D6 C692 M698	D6-C8 PolarHBondContact O-N 3.47Å; D6-C8 VanDerWaalsContact O-N 3.11Å; D6-C8 WeakPolarHBondContact OD1-CB 3.4Å; D6-C8 PolarHBondContact OD1-N 3.31Å; C8-C692 WeakPolarHBondContact CA-SG 3.46Å; C8-C692 HydrophobicContact CB-CB 3.63Å; C8-C692 WeakPolarHBondContact CB-SG 3.4Å; C8-C692 WeakPolarHBondContact SG-CA 3.36Å; C8-C692 WeakPolarHBondContact SG-CB 3.33Å; C8-C692 CovalentContact SG-SG 2.04Å; C8-C692 PolarHBondContact SG-SG 2.92Å; C8-M698 WeakPolarHBondContact O-CB 3.4Å; C8-M698 WeakPolarHBondContact O-CG 3.21Å; C8-M698 PolarHBondContact O-N 3.45Å; C8-M698 VanDerWaalsContact O-N 3.13Å
9	T	91.5	Very high	74.6	Confident	57 Å²	57	60.4 Å²	60.4	35%	0.35	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-50.8	174.3	-64.5	0	0	0	0	111.1	D6 V697	D6-T9 PolarHBondContact O-N 3.06Å; D6-T9 VanDerWaalsContact O-N 3.17Å; D6-T9 PolarHBondContact OD2-N 2.75Å; D6-T9 PolarHBondContact OD2-OG1 2.89Å; T9-V697 VanDerWaalsContact O-CB 3.32Å; T9-V697 WeakPolarHBondContact O-CB 3.34Å; T9-V697 WeakPolarHBondContact O-CG1 3.4Å
10	D	87.1	Confident	75.2	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.293	C	S	.	.			trans	-155.4	111.4	172.7	-165.2	-33.7	0	0	0	109.7	D6 Y12 E13 Q14 R673	D6-D10 PolarHBondContact O-N 3.1Å; D10-Y12 PolarHBondContact O-N 3.16Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.34Å; D10-Y12 PolarHBondContact OD1-N 2.81Å; D10-E13 VanDerWaalsContact CG-C 3.42Å; D10-E13 VanDerWaalsContact CG-N 3.33Å; D10-E13 PolarHBondContact OD1-N 3.05Å; D10-Q14 PolarHBondContact OD2-N 2.97Å; D10-R673 IonicContact OD2-CZ 3.79Å; D10-R673 IonicContact OD2-NE 3.2Å; D10-R673 IonicContact OD2-NH2 2.67Å; D10-R673 PolarHBondContact OD2-NH2 3.22Å
11	F	92.4	Very high	75.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-72.3	-20.1	-179.2	-160	-106.7	0	0	0	112.9	P7 Y19 S20 F644 L645 A648 V676 L680 F686 F690 M698	P7-F11 HydrophobicContact CB-CD2 3.69Å; P7-F11 HydrophobicContact CB-CE2 3.93Å; F11-Y19 AromaticContact CD2-CD1 3.7Å; F11-Y19 HydrophobicContact CD2-CD1 3.7Å; F11-Y19 HydrophobicContact CD2-CE1 4.23Å; F11-Y19 AromaticContact CE2-CD1 3.44Å; F11-Y19 HydrophobicContact CE2-CD1 3.44Å; F11-Y19 VanDerWaalsContact CE2-CD1 3.44Å; F11-Y19 AromaticContact CE2-CE1 3.57Å; F11-Y19 HydrophobicContact CE2-CE1 3.57Å; F11-Y19 HydrophobicContact CZ-CD1 4.13Å; F11-Y19 HydrophobicContact CZ-CE1 4.23Å; F11-S20 WeakPolarHBondContact O-CB 3.37Å; F11-S20 PolarHBondContact O-N 3.47Å; F11-S20 PolarHBondContact O-OG 3.02Å; F11-F644 HydrophobicContact CZ-CB 4.3Å; F11-L645 HydrophobicContact CZ-CD2 3.94Å; F11-L645 HydrophobicContact CZ-CG 4.29Å; F11-A648 HydrophobicContact CD1-CB 3.73Å; F11-A648 HydrophobicContact CE1-CB 3.54Å; F11-V676 HydrophobicContact CD1-CG1 4.25Å; F11-L680 HydrophobicContact CB-CD1 4.16Å; F11-L680 HydrophobicContact CD1-CD1 3.25Å; F11-L680 HydrophobicContact CE1-CD1 3.77Å; F11-L680 HydrophobicContact CG-CD1 3.84Å; F11-F686 HydrophobicContact CB-CZ 4.24Å; F11-F686 HydrophobicContact CD1-CE2 4.23Å; F11-F686 AromaticContact CD2-CE2 3.49Å; F11-F686 HydrophobicContact CD2-CE2 3.49Å; F11-F686 VanDerWaalsContact CD2-CE2 3.49Å; F11-F686 AromaticContact CD2-CZ 3.65Å; F11-F686 HydrophobicContact CD2-CZ 3.65Å; F11-F686 HydrophobicContact CE1-CE2 4.26Å; F11-F686 AromaticContact CE2-CE2 3.56Å; F11-F686 HydrophobicContact CE2-CE2 3.56Å; F11-F686 HydrophobicContact CE2-CZ 4.15Å; F11-F686 AromaticContact CG-CE2 3.84Å; F11-F686 HydrophobicContact CG-CE2 3.84Å; F11-F686 AromaticContact CG-CZ 3.98Å; F11-F686 HydrophobicContact CG-CZ 3.98Å; F11-F686 AromaticContact CZ-CE2 3.94Å; F11-F686 HydrophobicContact CZ-CE2 3.94Å; F11-F690 HydrophobicContact CE2-CD1 4.3Å; F11-F690 HydrophobicContact CE2-CD2 4.16Å; F11-F690 AromaticContact CE2-CE1 3.83Å; F11-F690 HydrophobicContact CE2-CE1 3.83Å; F11-F690 AromaticContact CE2-CE2 3.68Å; F11-F690 HydrophobicContact CE2-CE2 3.68Å; F11-F690 HydrophobicContact CE2-CG 4.44Å; F11-F690 AromaticContact CE2-CZ 3.49Å; F11-F690 HydrophobicContact CE2-CZ 3.49Å; F11-F690 VanDerWaalsContact CE2-CZ 3.49Å; F11-F690 HydrophobicContact CZ-CE1 4.42Å; F11-F690 AromaticContact CZ-CE2 3.84Å; F11-F690 HydrophobicContact CZ-CE2 3.84Å; F11-F690 AromaticContact CZ-CZ 3.68Å; F11-F690 HydrophobicContact CZ-CZ 3.68Å; F11-M698 HydrophobicContact CB-CE 3.68Å; F11-M698 HydrophobicContact CB-SD 4.21Å
12	Y	86.3	Confident	75.5	Confident	6 Å²	6	51.8 Å²	51.8	2%	0.024	27%	0.266	C	S	.	.	S	Bend	trans	-108	-70.7	-177.2	-169.2	-83.9	0	0	0	112.3	D10 C21 Y651 G653 R673 V676	D10-Y12 PolarHBondContact O-N 3.16Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.34Å; D10-Y12 PolarHBondContact OD1-N 2.81Å; Y12-C21 HydrophobicContact CD2-CB 4.46Å; Y12-C21 HydrophobicContact CE2-CB 4.28Å; Y12-C21 WeakPolarHBondContact CE2-SG 3.05Å; Y12-Y651 WeakPolarHBondContact CE2-O 3.3Å; Y12-Y651 PolarHBondContact OH-O 3.31Å; Y12-G653 PolarHBondContact OH-N 3.33Å; Y12-G653 PolarHBondContact OH-O 3.22Å; Y12-R673 HydrophobicContact CD1-CB 3.53Å; Y12-R673 HydrophobicContact CD1-CG 3.5Å; Y12-R673 HydrophobicContact CE1-CB 3.63Å; Y12-R673 HydrophobicContact CE1-CG 4.12Å; Y12-R673 HydrophobicContact CG-CB 4.15Å; Y12-R673 HydrophobicContact CG-CG 4.03Å; Y12-V676 HydrophobicContact CD2-CB 3.95Å; Y12-V676 HydrophobicContact CD2-CG1 4.21Å; Y12-V676 HydrophobicContact CD2-CG2 3.81Å; Y12-V676 HydrophobicContact CE2-CG2 4.23Å
13	E	67.4	Low	75.6	Confident	47 Å²	47	53.5 Å²	53.5	22%	0.22	28%	0.275	C	S	.	.			trans	-166.1	120.8	-172.9	-175.6	168.1	-153.6	0	0	116.2	D10 R18 R673	D10-E13 VanDerWaalsContact CG-C 3.42Å; D10-E13 VanDerWaalsContact CG-N 3.33Å; D10-E13 PolarHBondContact OD1-N 3.05Å; E13-R18 HydrophobicContact CB-CG 4.32Å; E13-R18 HydrophobicContact CG-CG 3.95Å; E13-R18 IonicContact OE1-CZ 2.95Å; E13-R18 IonicContact OE1-NE 3.99Å; E13-R18 PolarHBondContact OE1-NE 3.49Å; E13-R18 IonicContact OE1-NH2 3.12Å; E13-R18 PolarHBondContact OE1-NH2 2.99Å; E13-R673 PolarHBondContact O-NE 3.26Å; E13-R673 PolarHBondContact O-NH2 2.95Å
14	Q	41.6	Very low	75.9	Confident	125 Å²	125	50.9 Å²	50.9	58%	0.584	26%	0.258	S	S	*	.	B	Isolated β-bridge	trans	-134.4	107.1	150.5	-167.3	179.4	55.3	0	0	109.9	D10 F16 S17	D10-Q14 PolarHBondContact OD2-N 2.97Å; Q14-F16 PolarHBondContact O-N 3.4Å; Q14-S17 PolarHBondContact N-O 2.74Å; Q14-S17 PolarHBondContact O-N 3.17Å
15	C	42.6	Very low	75.9	Confident	103 Å²	103	42.8 Å²	42.8	70%	0.696	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	36.3	-40.1	173.8	-76.8	0	0	0	0	120.7
16	F	37.8	Very low	75.8	Confident	186 Å²	186	50.9 Å²	50.9	82%	0.816	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-16.8	177.4	-61.1	-77.9	0	0	0	113.5	Q14	Q14-F16 PolarHBondContact O-N 3.4Å
17	S	45.7	Very low	75.8	Confident	43 Å²	43	52.9 Å²	52.9	30%	0.301	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-108.9	100.9	-178.2	-60.6	0	0	0	0	109.9	Q14	Q14-S17 PolarHBondContact N-O 2.74Å; Q14-S17 PolarHBondContact O-N 3.17Å
18	R	63.5	Low	75.6	Confident	63 Å²	63	54 Å²	54	24%	0.238	27%	0.265	C	S	.	.			trans	-133.9	67.7	-156.8	-113.5	-160.6	-156.9	-175.4	-2.5	110.3	N2 A5 E13 G22	N2-R18 HydrophobicContact CB-CB 4.33Å; N2-R18 WeakPolarHBondContact CB-O 3.41Å; N2-R18 PolarHBondContact N-O 3.49Å; N2-R18 VanDerWaalsContact N-O 3.15Å; A5-R18 VanDerWaalsContact CB-N 3.26Å; E13-R18 HydrophobicContact CB-CG 4.32Å; E13-R18 HydrophobicContact CG-CG 3.95Å; E13-R18 IonicContact OE1-CZ 2.95Å; E13-R18 IonicContact OE1-NE 3.99Å; E13-R18 PolarHBondContact OE1-NE 3.49Å; E13-R18 IonicContact OE1-NH2 3.12Å; E13-R18 PolarHBondContact OE1-NH2 2.99Å; R18-G22 VanDerWaalsContact CD-CA 3.45Å; R18-G22 WeakPolarHBondContact CD-O 3.4Å; R18-G22 PolarHBondContact NH1-O 3.04Å; R18-G22 WeakPolarHBondContact O-CA 3.44Å; R18-G22 PolarHBondContact O-N 3.24Å
19	Y	83.3	Confident	75.5	Confident	15 Å²	15	57.8 Å²	57.8	6%	0.059	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-72.1	-164	-168.2	-102.6	0	0	0	114	M1 N2 A5 P7 F11 F637 L645 F690	M1-Y19 CarbonylContact C-O 3.59Å; M1-Y19 VanDerWaalsContact C-O 3.31Å; M1-Y19 WeakPolarHBondContact CA-O 3.44Å; M1-Y19 WeakPolarHBondContact CB-O 3.32Å; N2-Y19 PolarHBondContact N-O 3.44Å; A5-Y19 HydrophobicContact CB-CD2 4.36Å; A5-Y19 WeakPolarHBondContact O-CD2 3.45Å; P7-Y19 HydrophobicContact CB-CD1 3.83Å; P7-Y19 HydrophobicContact CB-CD2 4.09Å; P7-Y19 HydrophobicContact CB-CE1 3.8Å; P7-Y19 HydrophobicContact CB-CE2 4.06Å; P7-Y19 HydrophobicContact CB-CG 3.95Å; P7-Y19 HydrophobicContact CG-CD2 4.42Å; P7-Y19 HydrophobicContact CG-CE1 4.43Å; P7-Y19 HydrophobicContact CG-CE2 4.06Å; F11-Y19 AromaticContact CD2-CD1 3.7Å; F11-Y19 HydrophobicContact CD2-CD1 3.7Å; F11-Y19 HydrophobicContact CD2-CE1 4.23Å; F11-Y19 AromaticContact CE2-CD1 3.44Å; F11-Y19 HydrophobicContact CE2-CD1 3.44Å; F11-Y19 VanDerWaalsContact CE2-CD1 3.44Å; F11-Y19 AromaticContact CE2-CE1 3.57Å; F11-Y19 HydrophobicContact CE2-CE1 3.57Å; F11-Y19 HydrophobicContact CZ-CD1 4.13Å; F11-Y19 HydrophobicContact CZ-CE1 4.23Å; Y19-F637 WeakPolarHBondContact OH-CE1 3.5Å; Y19-L645 HydrophobicContact CD1-CD2 4.1Å; Y19-L645 HydrophobicContact CE1-CD2 3.7Å; Y19-F690 HydrophobicContact CE1-CD1 4.48Å; Y19-F690 AromaticContact CE1-CE1 3.76Å; Y19-F690 HydrophobicContact CE1-CE1 3.76Å; Y19-F690 HydrophobicContact CE1-CZ 4.36Å
20	S	86.6	Confident	75.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-54.1	-177	56.5	0	0	0	0	112.5	M1 F11 G22 A648	M1-S20 WeakPolarHBondContact CA-O 3.44Å; M1-S20 PolarHBondContact N-O 3.34Å; F11-S20 WeakPolarHBondContact O-CB 3.37Å; F11-S20 PolarHBondContact O-N 3.47Å; F11-S20 PolarHBondContact O-OG 3.02Å; S20-G22 PolarHBondContact O-N 3.11Å; S20-A648 WeakPolarHBondContact OG-CB 3.49Å
21	C	86.5	Confident	75.5	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.02	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	10.7	-172.2	-62.9	0	0	0	0	115.6	Y12 L23 W24 C652	Y12-C21 HydrophobicContact CD2-CB 4.46Å; Y12-C21 HydrophobicContact CE2-CB 4.28Å; Y12-C21 WeakPolarHBondContact CE2-SG 3.05Å; C21-L23 PolarHBondContact O-N 2.92Å; C21-W24 VanDerWaalsContact O-CB 3.23Å; C21-W24 WeakPolarHBondContact O-CB 3.16Å; C21-W24 PolarHBondContact O-N 3.47Å; C21-C652 WeakPolarHBondContact CA-SG 3.41Å; C21-C652 HydrophobicContact CB-CB 3.74Å; C21-C652 WeakPolarHBondContact CB-SG 3.42Å; C21-C652 WeakPolarHBondContact SG-CA 3.5Å; C21-C652 WeakPolarHBondContact SG-CB 3.49Å; C21-C652 CovalentContact SG-SG 2.03Å; C21-C652 PolarHBondContact SG-SG 3.33Å
22	G	72	Confident	75.2	Confident	3 Å²	3	66.9 Å²	66.9	3%	0.031	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-45.4	-156.5	0	0	0	0	0	119.2	R18 S20	R18-G22 VanDerWaalsContact CD-CA 3.45Å; R18-G22 WeakPolarHBondContact CD-O 3.4Å; R18-G22 PolarHBondContact NH1-O 3.04Å; R18-G22 WeakPolarHBondContact O-CA 3.44Å; R18-G22 PolarHBondContact O-N 3.24Å; S20-G22 PolarHBondContact O-N 3.11Å
23	L	81.1	Confident	75.2	Confident	77 Å²	77	67.3 Å²	67.3	40%	0.403	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-11.5	178.1	-65.7	173.5	0	0	0	111.8	C21 R26 L27	C21-L23 PolarHBondContact O-N 2.92Å; L23-R26 PolarHBondContact O-N 3.43Å; L23-L27 HydrophobicContact CB-CD1 4.12Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.88Å
24	W	87.4	Confident	76.2	Confident	48 Å²	48	66.1 Å²	66.1	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-51.7	-168.4	-168.4	100.4	0	0	0	111.3	C21 R26 L27 N28 R37 T38 S39 V42 C652	C21-W24 VanDerWaalsContact O-CB 3.23Å; C21-W24 WeakPolarHBondContact O-CB 3.16Å; C21-W24 PolarHBondContact O-N 3.47Å; W24-R26 PolarHBondContact O-N 3.26Å; W24-L27 CarbonylContact O-C 3.53Å; W24-L27 PolarHBondContact O-N 2.96Å; W24-L27 VanDerWaalsContact O-N 3.09Å; W24-N28 HydrophobicContact CD2-CB 4.27Å; W24-N28 HydrophobicContact CE3-CB 4.04Å; W24-N28 HydrophobicContact CH2-CB 3.72Å; W24-N28 HydrophobicContact CZ2-CB 4.05Å; W24-N28 HydrophobicContact CZ3-CB 3.72Å; W24-N28 WeakPolarHBondContact O-CB 3.29Å; W24-N28 PolarHBondContact O-N 3.35Å; W24-N28 PolarHBondContact O-ND2 3.05Å; W24-N28 VanDerWaalsContact O-ND2 3.08Å; W24-R37 HydrophobicContact CH2-CG 3.95Å; W24-R37 HydrophobicContact CZ3-CG 4.26Å; W24-R37 VanDerWaalsContact CZ3-O 3.28Å; W24-R37 WeakPolarHBondContact CZ3-O 3.23Å; W24-T38 VanDerWaalsContact CZ2-C 3.46Å; W24-S39 VanDerWaalsContact CZ2-N 3.35Å; W24-V42 HydrophobicContact CH2-CG2 4.09Å; W24-V42 HydrophobicContact CZ2-CG2 3.76Å; W24-C652 HydrophobicContact CB-CB 4.08Å; W24-C652 HydrophobicContact CD2-CB 3.69Å; W24-C652 HydrophobicContact CE3-CB 4.13Å; W24-C652 HydrophobicContact CG-CB 3.65Å
25	S	81.1	Confident	78.5	Confident	11 Å²	11	60.3 Å²	60.3	8%	0.077	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-20.1	-178.1	-40.1	0	0	0	0	113.3
26	R	83	Confident	80.8	Confident	178 Å²	178	57.9 Å²	57.9	67%	0.672	28%	0.282	S	S	*	.	H	α-helix	trans	-81.1	-36.1	173.1	-167.8	-176.5	75.7	177.2	3.2	111.6	L23 W24	L23-R26 PolarHBondContact O-N 3.43Å; W24-R26 PolarHBondContact O-N 3.26Å
27	L	87.6	Confident	83.4	Confident	118 Å²	118	50.3 Å²	50.3	62%	0.618	25%	0.248	S	C	*	.	H	α-helix	trans	-82.1	-20.4	178.9	-65.3	173.9	0	0	0	112.4	L23 W24	L23-L27 HydrophobicContact CB-CD1 4.12Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.88Å; W24-L27 CarbonylContact O-C 3.53Å; W24-L27 PolarHBondContact O-N 2.96Å; W24-L27 VanDerWaalsContact O-N 3.09Å
28	N	89.5	Confident	85.6	Confident	42 Å²	42	48.6 Å²	48.6	23%	0.225	24%	0.235	C	C	.	.	S	Bend	trans	-125	73.1	177.6	-60	-84.9	0	0	0	109	W24 R37	W24-N28 HydrophobicContact CD2-CB 4.27Å; W24-N28 HydrophobicContact CE3-CB 4.04Å; W24-N28 HydrophobicContact CH2-CB 3.72Å; W24-N28 HydrophobicContact CZ2-CB 4.05Å; W24-N28 HydrophobicContact CZ3-CB 3.72Å; W24-N28 WeakPolarHBondContact O-CB 3.29Å; W24-N28 PolarHBondContact O-N 3.35Å; W24-N28 PolarHBondContact O-ND2 3.05Å; W24-N28 VanDerWaalsContact O-ND2 3.08Å; N28-R37 HydrophobicContact CB-CG 3.9Å; N28-R37 WeakPolarHBondContact O-CG 3.5Å
29	P	90.9	Very high	86.9	Confident	84 Å²	84	46 Å²	46	55%	0.545	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-63	156.8	175.7	28.9	-35.2	0	0	0	111.1	E31	P29-E31 PolarHBondContact O-N 3.34Å
30	I	90.2	Very high	87.3	Confident	49 Å²	49	47.8 Å²	47.8	25%	0.251	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-66.6	124.6	172.6	-54.1	173.6	0	0	0	108.2	S34 R37 N654 T656	I30-S34 WeakPolarHBondContact CG2-O 3.36Å; I30-R37 HydrophobicContact CG1-CB 4.21Å; I30-N654 HydrophobicContact CD1-CB 4.42Å; I30-N654 VanDerWaalsContact CG1-OD1 3.24Å; I30-N654 WeakPolarHBondContact CG1-OD1 3.49Å; I30-T656 HydrophobicContact CD1-CG2 4.34Å
31	E	89.5	Confident	87.5	Confident	74 Å²	74	49 Å²	49	35%	0.346	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-69	145.5	173	-61.7	179.4	-178.7	0	0	110	P29 S33 S34 R37 K331	P29-E31 PolarHBondContact O-N 3.34Å; E31-S33 PolarHBondContact O-N 3.01Å; E31-S33 VanDerWaalsContact O-N 3.12Å; E31-S34 WeakPolarHBondContact O-CA 3.31Å; E31-S34 WeakPolarHBondContact O-CB 3.38Å; E31-S34 PolarHBondContact O-N 2.73Å; E31-R37 IonicContact OE1-NH2 2.78Å; E31-K331 IonicContact OE2-NZ 2.8Å; E31-K331 PolarHBondContact OE2-NZ 3.2Å
32	E	86.1	Confident	87.8	Confident	128 Å²	128	51 Å²	51	60%	0.598	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-38.7	-179.4	-65	172.9	173.2	0	0	113.1	S34 E324 K327	E32-S34 PolarHBondContact O-N 2.73Å; E32-E324 WeakPolarHBondContact O-CB 3.4Å; E32-E324 PolarHBondContact O-N 3.31Å; E32-E324 VanDerWaalsContact O-N 3.07Å; E32-K327 IonicContact OE2-NZ 3.79Å; E32-K327 PolarHBondContact OE2-NZ 3.35Å
33	S	85.6	Confident	88.8	Confident	16 Å²	16	51.4 Å²	51.4	11%	0.112	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	8.2	179	67	0	0	0	0	115	E31 Q323 E324 R325	E31-S33 PolarHBondContact O-N 3.01Å; E31-S33 VanDerWaalsContact O-N 3.12Å; S33-Q323 VanDerWaalsContact O-CG 3.24Å; S33-Q323 WeakPolarHBondContact O-CG 3.36Å; S33-Q323 PolarHBondContact O-NE2 3.29Å; S33-E324 WeakPolarHBondContact CA-O 3.39Å; S33-R325 WeakPolarHBondContact CB-O 3.4Å
34	S	88.2	Confident	89.3	Confident	21 Å²	21	49.6 Å²	49.6	15%	0.147	26%	0.256	C	S	.	.			trans	-126.7	145.7	-178.3	-64.7	0	0	0	0	111.1	I30 E31 E32	I30-S34 WeakPolarHBondContact CG2-O 3.36Å; E31-S34 WeakPolarHBondContact O-CA 3.31Å; E31-S34 WeakPolarHBondContact O-CB 3.38Å; E31-S34 PolarHBondContact O-N 2.73Å; E32-S34 PolarHBondContact O-N 2.73Å
35	A	89.4	Confident	89.5	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.033	26%	0.256	C	S	.	.	S	Bend	trans	-89.9	-11.8	173	0	0	0	0	0	113.6	Q323 S655 T656 F659	A35-Q323 HydrophobicContact CB-CB 4.11Å; A35-S655 CarbonylContact O-C 3.49Å; A35-S655 VanDerWaalsContact O-CA 3.31Å; A35-S655 WeakPolarHBondContact O-CA 3.19Å; A35-T656 PolarHBondContact O-N 2.6Å; A35-F659 HydrophobicContact CB-CB 3.71Å; A35-F659 HydrophobicContact CB-CD2 3.38Å; A35-F659 HydrophobicContact CB-CE2 4.13Å; A35-F659 HydrophobicContact CB-CG 3.65Å
36	Q	91.5	Very high	90.1	Very high	51 Å²	51	53 Å²	53	24%	0.238	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.7	-178.8	64.1	176.3	5.2	0	0	111.5	T41 N654 F659	Q36-T41 HydrophobicContact CG-CG2 4.22Å; Q36-N654 CarbonylContact C-O 3.33Å; Q36-N654 VanDerWaalsContact CA-O 3.24Å; Q36-N654 WeakPolarHBondContact CA-O 3.33Å; Q36-N654 WeakPolarHBondContact CB-O 3.41Å; Q36-F659 HydrophobicContact CB-CD1 4.4Å; Q36-F659 HydrophobicContact CB-CE1 4.21Å; Q36-F659 HydrophobicContact CG-CE1 4.25Å; Q36-F659 HydrophobicContact CG-CZ 4.3Å
37	R	92.7	Very high	90.6	Very high	28 Å²	28	44.8 Å²	44.8	11%	0.106	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.7	168.9	-168	68.3	178.3	151.7	-16.2	107.9	W24 N28 I30 E31 T41 V42 D45 G653 N654	W24-R37 HydrophobicContact CH2-CG 3.95Å; W24-R37 HydrophobicContact CZ3-CG 4.26Å; W24-R37 VanDerWaalsContact CZ3-O 3.28Å; W24-R37 WeakPolarHBondContact CZ3-O 3.23Å; N28-R37 HydrophobicContact CB-CG 3.9Å; N28-R37 WeakPolarHBondContact O-CG 3.5Å; I30-R37 HydrophobicContact CG1-CB 4.21Å; E31-R37 IonicContact OE1-NH2 2.78Å; R37-T41 WeakPolarHBondContact CA-OG1 3.31Å; R37-T41 PolarHBondContact NH1-O 2.79Å; R37-V42 VanDerWaalsContact NH1-CA 3.3Å; R37-D45 IonicContact CZ-OD2 2.67Å; R37-D45 IonicContact NH1-OD2 2.74Å; R37-D45 PolarHBondContact NH1-OD2 3.1Å; R37-D45 IonicContact NH2-OD2 3.62Å; R37-G653 CarbonylContact O-C 3.57Å; R37-G653 WeakPolarHBondContact O-CA 3.16Å; R37-N654 PolarHBondContact N-O 2.87Å; R37-N654 PolarHBondContact O-N 3.37Å; R37-N654 PolarHBondContact O-OD1 2.89Å
38	T	92	Very high	90.9	Very high	6 Å²	6	40 Å²	40	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	166	180	76.4	0	0	0	0	110.1	W24 V40 T41 V42 C652	W24-T38 VanDerWaalsContact CZ2-C 3.46Å; T38-V40 PolarHBondContact O-N 3.06Å; T38-V40 PolarHBondContact OG1-N 2.82Å; T38-T41 PolarHBondContact N-OG1 3.09Å; T38-T41 PolarHBondContact O-N 2.74Å; T38-T41 PolarHBondContact O-OG1 2.97Å; T38-T41 PolarHBondContact OG1-N 3.06Å; T38-V42 WeakPolarHBondContact O-CG2 3.32Å; T38-V42 PolarHBondContact O-N 3.29Å; T38-C652 CarbonylContact C-O 3.6Å; T38-C652 VanDerWaalsContact CA-O 3.24Å; T38-C652 WeakPolarHBondContact CA-O 3.35Å
39	S	90.6	Very high	91.1	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-54.4	-33.8	173.4	-66	0	0	0	0	112.3	W24 L43 N649 F650 C652	W24-S39 VanDerWaalsContact CZ2-N 3.35Å; S39-L43 PolarHBondContact O-N 3.37Å; S39-N649 PolarHBondContact OG-O 3.4Å; S39-F650 WeakPolarHBondContact CB-O 3.47Å; S39-C652 PolarHBondContact N-O 3.11Å
40	V	91.3	Very high	91.3	Very high	52 Å²	52	37.5 Å²	37.5	32%	0.315	21%	0.209	S	C	.	.	H	α-helix	trans	-65.9	-47.2	173.2	176.9	0	0	0	0	111.1	T38 V42 L43 A44 V479 F501	T38-V40 PolarHBondContact O-N 3.06Å; T38-V40 PolarHBondContact OG1-N 2.82Å; V40-V42 VanDerWaalsContact C-N 3.34Å; V40-V42 PolarHBondContact O-N 2.8Å; V40-L43 PolarHBondContact O-N 3.35Å; V40-A44 WeakPolarHBondContact O-CB 3.46Å; V40-A44 PolarHBondContact O-N 3.36Å; V40-V479 HydrophobicContact CG1-CB 4.3Å; V40-V479 HydrophobicContact CG1-CG1 3.92Å; V40-F501 HydrophobicContact CG2-CE1 4.39Å; V40-F501 HydrophobicContact CG2-CZ 3.75Å
41	T	91.6	Very high	91.6	Very high	25 Å²	25	35.3 Å²	35.3	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-30.5	-178.6	71.1	0	0	0	0	112.7	Q36 R37 T38 A44 D45	Q36-T41 HydrophobicContact CG-CG2 4.22Å; R37-T41 WeakPolarHBondContact CA-OG1 3.31Å; R37-T41 PolarHBondContact NH1-O 2.79Å; T38-T41 PolarHBondContact N-OG1 3.09Å; T38-T41 PolarHBondContact O-N 2.74Å; T38-T41 PolarHBondContact O-OG1 2.97Å; T38-T41 PolarHBondContact OG1-N 3.06Å; T41-A44 PolarHBondContact O-N 3.42Å; T41-D45 WeakPolarHBondContact O-CB 3.23Å; T41-D45 VanDerWaalsContact O-CG 3.24Å; T41-D45 PolarHBondContact O-N 2.56Å
42	V	92.8	Very high	91.9	Very high	47 Å²	47	35 Å²	35	29%	0.285	20%	0.196	S	C	.	.	H	α-helix	trans	-59.7	-49.1	171.7	173.2	0	0	0	0	110.8	W24 R37 T38 V40 D45 Q46	W24-V42 HydrophobicContact CH2-CG2 4.09Å; W24-V42 HydrophobicContact CZ2-CG2 3.76Å; R37-V42 VanDerWaalsContact NH1-CA 3.3Å; T38-V42 WeakPolarHBondContact O-CG2 3.32Å; T38-V42 PolarHBondContact O-N 3.29Å; V40-V42 VanDerWaalsContact C-N 3.34Å; V40-V42 PolarHBondContact O-N 2.8Å; V42-D45 PolarHBondContact O-N 3.07Å; V42-Q46 PolarHBondContact O-N 3.43Å
43	L	92.7	Very high	92.3	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-66.6	-38.6	177.8	-178.8	57.4	0	0	0	111.8	S39 V40 D45 Q46 N47 V479 Q498 F501	S39-L43 PolarHBondContact O-N 3.37Å; V40-L43 PolarHBondContact O-N 3.35Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.5Å; L43-Q46 PolarHBondContact O-N 3.19Å; L43-N47 PolarHBondContact O-N 3.37Å; L43-V479 HydrophobicContact CB-CG1 4.32Å; L43-V479 HydrophobicContact CB-CG2 4.37Å; L43-V479 HydrophobicContact CD2-CG1 3.82Å; L43-V479 HydrophobicContact CD2-CG2 4.26Å; L43-V479 HydrophobicContact CG-CG1 4.19Å; L43-V479 HydrophobicContact CG-CG2 3.92Å; L43-Q498 HydrophobicContact CD1-CB 4.1Å; L43-Q498 HydrophobicContact CD2-CB 4.21Å; L43-F501 HydrophobicContact CB-CE2 4.46Å; L43-F501 HydrophobicContact CD2-CD2 3.56Å; L43-F501 HydrophobicContact CD2-CE2 3.69Å
44	A	91.9	Very high	92.8	Very high	39 Å²	39	34.3 Å²	34.3	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-62.8	-40.3	176.8	0	0	0	0	0	112.1	V40 T41 N47 S48 V479	V40-A44 WeakPolarHBondContact O-CB 3.46Å; V40-A44 PolarHBondContact O-N 3.36Å; T41-A44 PolarHBondContact O-N 3.42Å; A44-N47 PolarHBondContact O-N 2.96Å; A44-S48 WeakPolarHBondContact O-CB 3.32Å; A44-S48 PolarHBondContact O-N 3.23Å; A44-V479 HydrophobicContact CB-CB 4.43Å; A44-V479 HydrophobicContact CB-CG2 4.01Å
45	D	91.6	Very high	93.1	Very high	33 Å²	33	33.5 Å²	33.5	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-39.7	175.8	-73.3	-22.4	0	0	0	112.1	R37 T41 V42 L43 S48 A49 K331	R37-D45 IonicContact CZ-OD2 2.67Å; R37-D45 IonicContact NH1-OD2 2.74Å; R37-D45 PolarHBondContact NH1-OD2 3.1Å; R37-D45 IonicContact NH2-OD2 3.62Å; T41-D45 WeakPolarHBondContact O-CB 3.23Å; T41-D45 VanDerWaalsContact O-CG 3.24Å; T41-D45 PolarHBondContact O-N 2.56Å; V42-D45 PolarHBondContact O-N 3.07Å; L43-D45 VanDerWaalsContact C-N 3.33Å; L43-D45 PolarHBondContact O-N 3.5Å; D45-S48 WeakPolarHBondContact O-CB 3.39Å; D45-S48 PolarHBondContact O-N 3.36Å; D45-A49 PolarHBondContact O-N 3.46Å; D45-K331 VanDerWaalsContact CG-NZ 3.28Å; D45-K331 WeakPolarHBondContact OD1-CE 3.36Å; D45-K331 IonicContact OD1-NZ 2.71Å; D45-K331 PolarHBondContact OD1-NZ 2.92Å; D45-K331 IonicContact OD2-NZ 3.35Å; D45-K331 PolarHBondContact OD2-NZ 3.2Å
46	Q	93.7	Very high	93.4	Very high	99 Å²	99	36.9 Å²	36.9	46%	0.463	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-47.9	173.9	-178.2	58.2	53.8	0	0	111	V42 L43 S48 A49 D50	V42-Q46 PolarHBondContact O-N 3.43Å; L43-Q46 PolarHBondContact O-N 3.19Å; Q46-S48 VanDerWaalsContact C-N 3.26Å; Q46-S48 PolarHBondContact O-N 2.91Å; Q46-A49 PolarHBondContact O-N 3.1Å; Q46-D50 PolarHBondContact NE2-OD1 3.36Å; Q46-D50 VanDerWaalsContact NE2-OD1 3.11Å; Q46-D50 PolarHBondContact NE2-OD2 3.09Å; Q46-D50 VanDerWaalsContact NE2-OD2 3.14Å; Q46-D50 VanDerWaalsContact O-CG 3.31Å; Q46-D50 PolarHBondContact O-N 3.41Å; Q46-D50 VanDerWaalsContact O-OD2 3.1Å
47	N	93.9	Very high	93.5	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-42.6	174.5	-73.7	-8.8	0	0	0	111.1	L43 A44 A49 D50 L51 F356 V479 G495 Q498	L43-N47 PolarHBondContact O-N 3.37Å; A44-N47 PolarHBondContact O-N 2.96Å; N47-A49 PolarHBondContact O-N 2.98Å; N47-D50 PolarHBondContact O-N 3.48Å; N47-L51 VanDerWaalsContact O-CB 3.3Å; N47-L51 WeakPolarHBondContact O-CB 3.47Å; N47-L51 WeakPolarHBondContact O-CG 3.5Å; N47-L51 PolarHBondContact O-N 3.16Å; N47-F356 HydrophobicContact CB-CE2 4.29Å; N47-V479 VanDerWaalsContact ND2-CG2 3.33Å; N47-V479 WeakPolarHBondContact ND2-CG2 3.11Å; N47-G495 PolarHBondContact ND2-O 3.25Å; N47-Q498 PolarHBondContact ND2-NE2 3.39Å; N47-Q498 PolarHBondContact OD1-NE2 3.2Å
48	S	93.2	Very high	93.4	Very high	18 Å²	18	37.7 Å²	37.7	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-42.7	177.8	-171	0	0	0	0	112.4	A44 D45 Q46 L51 K52	A44-S48 WeakPolarHBondContact O-CB 3.32Å; A44-S48 PolarHBondContact O-N 3.23Å; D45-S48 WeakPolarHBondContact O-CB 3.39Å; D45-S48 PolarHBondContact O-N 3.36Å; Q46-S48 VanDerWaalsContact C-N 3.26Å; Q46-S48 PolarHBondContact O-N 2.91Å; S48-L51 PolarHBondContact O-N 2.99Å; S48-K52 WeakPolarHBondContact O-CB 3.47Å; S48-K52 PolarHBondContact O-N 2.87Å
49	A	94.5	Very high	93.3	Very high	51 Å²	51	41 Å²	41	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-43.4	176.5	0	0	0	0	0	112.6	D45 Q46 N47 K52 Q53	D45-A49 PolarHBondContact O-N 3.46Å; Q46-A49 PolarHBondContact O-N 3.1Å; N47-A49 PolarHBondContact O-N 2.98Å; A49-K52 WeakPolarHBondContact O-CB 3.42Å; A49-K52 PolarHBondContact O-N 2.7Å; A49-Q53 PolarHBondContact O-N 3.11Å; A49-Q53 VanDerWaalsContact O-N 3.15Å
50	D	95.5	Very high	93.1	Very high	22 Å²	22	46.8 Å²	46.8	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-43.2	176.8	-64.3	-41.9	0	0	0	111.3	Q46 N47 K52 Q53 F54 K360	Q46-D50 PolarHBondContact NE2-OD1 3.36Å; Q46-D50 VanDerWaalsContact NE2-OD1 3.11Å; Q46-D50 PolarHBondContact NE2-OD2 3.09Å; Q46-D50 VanDerWaalsContact NE2-OD2 3.14Å; Q46-D50 VanDerWaalsContact O-CG 3.31Å; Q46-D50 PolarHBondContact O-N 3.41Å; Q46-D50 VanDerWaalsContact O-OD2 3.1Å; N47-D50 PolarHBondContact O-N 3.48Å; D50-K52 PolarHBondContact O-N 2.9Å; D50-Q53 WeakPolarHBondContact O-CB 3.41Å; D50-Q53 PolarHBondContact O-N 3.4Å; D50-Q53 VanDerWaalsContact O-N 3.15Å; D50-F54 HydrophobicContact CB-CE2 4.03Å; D50-F54 HydrophobicContact CB-CZ 3.9Å; D50-F54 VanDerWaalsContact O-CD1 3.29Å; D50-F54 WeakPolarHBondContact O-CD1 3.26Å; D50-F54 WeakPolarHBondContact O-CD2 3.29Å; D50-F54 WeakPolarHBondContact O-CG 3.39Å; D50-F54 PolarHBondContact O-N 2.9Å; D50-K360 WeakPolarHBondContact OD2-CE 3.47Å; D50-K360 IonicContact OD2-NZ 3.28Å; D50-K360 PolarHBondContact OD2-NZ 3.21Å
51	L	95.2	Very high	92.8	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-40.3	177.5	-75.2	175.8	0	0	0	112.5	N47 S48 Q53 F54 L55 V334 T338 M352 F356 V477	N47-L51 VanDerWaalsContact O-CB 3.3Å; N47-L51 WeakPolarHBondContact O-CB 3.47Å; N47-L51 WeakPolarHBondContact O-CG 3.5Å; N47-L51 PolarHBondContact O-N 3.16Å; S48-L51 PolarHBondContact O-N 2.99Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 2.93Å; L51-F54 HydrophobicContact CD2-CD2 4.12Å; L51-F54 PolarHBondContact O-N 3.27Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.42Å; L51-L55 PolarHBondContact O-N 3.34Å; L51-V334 HydrophobicContact CB-CG1 3.82Å; L51-V334 HydrophobicContact CB-CG2 4.44Å; L51-V334 HydrophobicContact CD1-CG1 3.87Å; L51-T338 HydrophobicContact CD1-CG2 3.81Å; L51-M352 HydrophobicContact CB-CE 3.69Å; L51-M352 HydrophobicContact CD1-CE 3.78Å; L51-M352 HydrophobicContact CD2-CE 3.52Å; L51-M352 HydrophobicContact CG-CE 3.84Å; L51-F356 HydrophobicContact CD2-CB 4.03Å; L51-F356 HydrophobicContact CD2-CD2 3.76Å; L51-F356 HydrophobicContact CD2-CG 4.38Å; L51-F356 HydrophobicContact CG-CD2 4.17Å; L51-V477 HydrophobicContact CD1-CB 4.25Å; L51-V477 HydrophobicContact CD1-CG2 4.08Å
52	K	95.3	Very high	92.3	Very high	69 Å²	69	55 Å²	55	30%	0.3	29%	0.294	S	S	.	.	H	α-helix	trans	-55.3	-48.5	170.7	171.9	-169.9	-172.3	162.6	0	110.8	S48 A49 D50 L55 N56 D328 S330 V334	S48-K52 WeakPolarHBondContact O-CB 3.47Å; S48-K52 PolarHBondContact O-N 2.87Å; A49-K52 WeakPolarHBondContact O-CB 3.42Å; A49-K52 PolarHBondContact O-N 2.7Å; D50-K52 PolarHBondContact O-N 2.9Å; K52-L55 PolarHBondContact O-N 2.93Å; K52-N56 VanDerWaalsContact O-CG 3.32Å; K52-N56 PolarHBondContact O-N 3.44Å; K52-N56 PolarHBondContact O-ND2 3.48Å; K52-D328 IonicContact NZ-OD1 3.25Å; K52-D328 IonicContact NZ-OD2 3.24Å; K52-D328 PolarHBondContact NZ-OD2 2.8Å; K52-S330 WeakPolarHBondContact CD-OG 3.33Å; K52-S330 WeakPolarHBondContact CE-OG 3.36Å; K52-S330 PolarHBondContact NZ-OG 2.84Å; K52-V334 HydrophobicContact CB-CG2 4.25Å
53	Q	96.4	Very high	91.7	Very high	108 Å²	108	54.8 Å²	54.8	51%	0.505	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-46.3	177.3	-175.3	177.3	6.8	0	0	111.2	A49 D50 L51 L55 N56 D57	A49-Q53 PolarHBondContact O-N 3.11Å; A49-Q53 VanDerWaalsContact O-N 3.15Å; D50-Q53 WeakPolarHBondContact O-CB 3.41Å; D50-Q53 PolarHBondContact O-N 3.4Å; D50-Q53 VanDerWaalsContact O-N 3.15Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 2.93Å; Q53-L55 VanDerWaalsContact C-N 3.31Å; Q53-L55 PolarHBondContact O-N 3.34Å; Q53-N56 PolarHBondContact O-N 3.48Å; Q53-D57 VanDerWaalsContact O-CG 3.32Å; Q53-D57 PolarHBondContact O-N 3.47Å
54	F	95.7	Very high	91.1	Very high	20 Å²	20	60.4 Å²	60.4	9%	0.088	33%	0.333	C	S	.	.	H	α-helix	trans	-63.6	-36.6	-179	-56.7	-21.4	0	0	0	113	D50 L51 D57 L58 I355 F356 R359 K360	D50-F54 HydrophobicContact CB-CE2 4.03Å; D50-F54 HydrophobicContact CB-CZ 3.9Å; D50-F54 VanDerWaalsContact O-CD1 3.29Å; D50-F54 WeakPolarHBondContact O-CD1 3.26Å; D50-F54 WeakPolarHBondContact O-CD2 3.29Å; D50-F54 WeakPolarHBondContact O-CG 3.39Å; D50-F54 PolarHBondContact O-N 2.9Å; L51-F54 HydrophobicContact CD2-CD2 4.12Å; L51-F54 PolarHBondContact O-N 3.27Å; F54-D57 PolarHBondContact O-N 2.85Å; F54-L58 PolarHBondContact O-N 3.33Å; F54-I355 HydrophobicContact CB-CG2 3.59Å; F54-I355 HydrophobicContact CD2-CG2 4.05Å; F54-I355 HydrophobicContact CG-CG2 4.14Å; F54-F356 HydrophobicContact CE2-CD2 4.47Å; F54-R359 HydrophobicContact CB-CG 4.45Å; F54-R359 HydrophobicContact CD1-CB 3.96Å; F54-R359 HydrophobicContact CD1-CG 3.88Å; F54-R359 HydrophobicContact CD2-CB 3.78Å; F54-R359 HydrophobicContact CD2-CG 3.97Å; F54-R359 HydrophobicContact CE1-CB 3.66Å; F54-R359 HydrophobicContact CE1-CG 4.08Å; F54-R359 HydrophobicContact CE2-CB 3.45Å; F54-R359 VanDerWaalsContact CE2-CB 3.45Å; F54-R359 HydrophobicContact CE2-CG 4.16Å; F54-R359 HydrophobicContact CG-CB 4.04Å; F54-R359 HydrophobicContact CG-CG 3.84Å; F54-R359 HydrophobicContact CZ-CB 3.39Å; F54-R359 HydrophobicContact CZ-CG 4.23Å; F54-K360 HydrophobicContact CE2-CG 4.46Å
55	L	95	Very high	90.9	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-65.8	-42.1	174.4	-75.3	165.8	0	0	0	111.6	L51 K52 Q53 D57 L58 L71 Y75 V334 L337 M352	L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 VanDerWaalsContact O-CG 3.3Å; L51-L55 WeakPolarHBondContact O-CG 3.42Å; L51-L55 PolarHBondContact O-N 3.34Å; K52-L55 PolarHBondContact O-N 2.93Å; Q53-L55 VanDerWaalsContact C-N 3.31Å; Q53-L55 PolarHBondContact O-N 3.34Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 2.95Å; L55-L58 HydrophobicContact CD2-CD1 3.96Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 2.69Å; L55-L71 HydrophobicContact CD2-CD1 4.45Å; L55-L71 HydrophobicContact CD2-CD2 4Å; L55-L71 HydrophobicContact CD2-CG 3.94Å; L55-Y75 HydrophobicContact CB-CD1 4.03Å; L55-Y75 HydrophobicContact CB-CE1 3.98Å; L55-Y75 HydrophobicContact CB-CG 4.4Å; L55-Y75 HydrophobicContact CD1-CD1 4.36Å; L55-Y75 HydrophobicContact CD1-CD2 3.63Å; L55-Y75 HydrophobicContact CD1-CE1 4.46Å; L55-Y75 HydrophobicContact CD1-CE2 3.74Å; L55-Y75 HydrophobicContact CD1-CG 3.94Å; L55-Y75 HydrophobicContact CD2-CG 4.45Å; L55-V334 HydrophobicContact CD1-CG2 3.99Å; L55-L337 HydrophobicContact CD1-CD1 4.11Å; L55-M352 HydrophobicContact CD1-CE 3.77Å; L55-M352 HydrophobicContact CD1-SD 4.16Å; L55-M352 HydrophobicContact CD2-CE 4.45Å; L55-M352 HydrophobicContact CD2-SD 3.85Å; L55-M352 HydrophobicContact CG-CE 4.14Å; L55-M352 HydrophobicContact CG-SD 4.19Å
56	N	93.7	Very high	91	Very high	74 Å²	74	64.1 Å²	64.1	40%	0.396	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-30.8	176.3	-72.2	-29.3	0	0	0	112.9	K52 Q53 L58	K52-N56 VanDerWaalsContact O-CG 3.32Å; K52-N56 PolarHBondContact O-N 3.44Å; K52-N56 PolarHBondContact O-ND2 3.48Å; Q53-N56 PolarHBondContact O-N 3.48Å; N56-L58 VanDerWaalsContact C-N 3.29Å; N56-L58 PolarHBondContact O-N 3.45Å
57	D	93.7	Very high	91	Very high	79 Å²	79	59.4 Å²	59.4	42%	0.422	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.7	176.5	-70.3	-6.8	0	0	0	113.7	Q53 F54 L55 R359	Q53-D57 VanDerWaalsContact O-CG 3.32Å; Q53-D57 PolarHBondContact O-N 3.47Å; F54-D57 PolarHBondContact O-N 2.85Å; L55-D57 VanDerWaalsContact C-N 3.27Å; L55-D57 PolarHBondContact O-N 2.95Å; D57-R359 IonicContact OD2-CZ 3.53Å; D57-R359 IonicContact OD2-NH1 2.77Å; D57-R359 PolarHBondContact OD2-NH1 3.34Å; D57-R359 IonicContact OD2-NH2 4Å
58	L	91.7	Very high	91	Very high	18 Å²	18	60 Å²	60	9%	0.094	32%	0.32	C	S	.	.	S	Bend	trans	-65.5	143.5	179.4	-72.4	178.8	0	0	0	111	F54 L55 N56 R60 I68 R72 I355	F54-L58 PolarHBondContact O-N 3.33Å; L55-L58 HydrophobicContact CD2-CD1 3.96Å; L55-L58 WeakPolarHBondContact O-CB 3.39Å; L55-L58 PolarHBondContact O-N 2.69Å; N56-L58 VanDerWaalsContact C-N 3.29Å; N56-L58 PolarHBondContact O-N 3.45Å; L58-R60 PolarHBondContact O-N 2.99Å; L58-I68 HydrophobicContact CD1-CG2 4.01Å; L58-I68 HydrophobicContact CD2-CG2 3.81Å; L58-R72 HydrophobicContact CD1-CB 4.24Å; L58-I355 HydrophobicContact CD1-CD1 4.02Å; L58-I355 HydrophobicContact CD2-CD1 3.94Å; L58-I355 HydrophobicContact CG-CD1 4.44Å
59	P	88.7	Confident	91	Very high	74 Å²	74	60.3 Å²	60.3	48%	0.481	32%	0.32	S	S	.	.			trans	-55.3	135.8	175.9	-24.2	33.7	0	0	0	112.1	T63 R72	P59-T63 HydrophobicContact CB-CG2 3.86Å; P59-T63 HydrophobicContact CG-CG2 3.97Å; P59-R72 WeakPolarHBondContact O-CD 3.45Å; P59-R72 PolarHBondContact O-NE 3.24Å
60	R	87.3	Confident	91	Very high	132 Å²	132	58.1 Å²	58.1	50%	0.498	30%	0.301	S	S	.	.	S	Bend	trans	-79.7	-24.7	177.1	-66.7	-66.2	-177.8	178.4	-4.2	113	L58 R72 D76	L58-R60 PolarHBondContact O-N 2.99Å; R60-R72 PolarHBondContact O-NH1 2.84Å; R60-R72 PolarHBondContact O-NH2 3.27Å; R60-D76 IonicContact NH1-OD1 3.53Å; R60-D76 PolarHBondContact NH1-OD1 2.87Å; R60-D76 IonicContact NH1-OD2 3.24Å; R60-D76 PolarHBondContact NH1-OD2 3.45Å; R60-D76 VanDerWaalsContact NH1-OD2 3.12Å
61	E	84.5	Confident	91	Very high	147 Å²	147	57 Å²	57	69%	0.687	30%	0.295	S	S	*	.	S	Bend	trans	-78.8	148.2	172.8	-63.4	-53.8	136.4	0	0	111.1	T63	E61-T63 PolarHBondContact O-N 3.43Å
62	P	81.8	Confident	91	Very high	103 Å²	103	58.7 Å²	58.7	67%	0.669	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-52.9	131.4	173.7	-24.8	34.2	0	0	0	111.4	D69	P62-D69 WeakPolarHBondContact CA-OD2 3.48Å
63	T	79.2	Confident	90.9	Very high	43 Å²	43	59.7 Å²	59.7	26%	0.264	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-100.4	169.7	179.6	69	0	0	0	0	110.4	P59 E61 N65 D69	P59-T63 HydrophobicContact CB-CG2 3.86Å; P59-T63 HydrophobicContact CG-CG2 3.97Å; E61-T63 PolarHBondContact O-N 3.43Å; T63-N65 PolarHBondContact O-N 3.34Å; T63-N65 PolarHBondContact OG1-N 2.74Å; T63-N65 PolarHBondContact OG1-O 3.32Å; T63-D69 PolarHBondContact N-OD1 3.49Å; T63-D69 PolarHBondContact N-OD2 3.09Å; T63-D69 PolarHBondContact OG1-OD1 3.31Å
64	S	81	Confident	90.9	Very high	128 Å²	128	54.5 Å²	54.5	90%	0.895	28%	0.279	S	S	*	.	S	Bend	trans	-68.1	-7.2	169.6	62.9	0	0	0	0	113
65	N	86.8	Confident	90.9	Very high	36 Å²	36	53.8 Å²	53.8	19%	0.193	28%	0.276	C	S	.	.			trans	-108.7	86.9	-178	-171.3	-15.3	0	0	0	109.8	T63 S67 I68 D69	T63-N65 PolarHBondContact O-N 3.34Å; T63-N65 PolarHBondContact OG1-N 2.74Å; T63-N65 PolarHBondContact OG1-O 3.32Å; N65-S67 PolarHBondContact O-N 3.13Å; N65-I68 HydrophobicContact CB-CB 4.26Å; N65-I68 HydrophobicContact CB-CG1 4.11Å; N65-I68 WeakPolarHBondContact ND2-CG1 3.44Å; N65-I68 WeakPolarHBondContact O-CB 3.48Å; N65-I68 PolarHBondContact O-N 3.42Å; N65-D69 PolarHBondContact O-N 3.45Å
66	R	93.3	Very high	90.9	Very high	114 Å²	114	56 Å²	56	43%	0.43	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-32.8	-172	-63.7	177.9	64.4	-168.4	-2.5	112.8	I68 D69 L70 L427	R66-I68 VanDerWaalsContact C-N 3.31Å; R66-I68 PolarHBondContact O-N 3.17Å; R66-D69 PolarHBondContact O-N 3.44Å; R66-L70 WeakPolarHBondContact O-CB 3.31Å; R66-L70 PolarHBondContact O-N 3.26Å; R66-L427 HydrophobicContact CB-CD1 3.83Å; R66-L427 HydrophobicContact CB-CD2 4.14Å; R66-L427 PolarHBondContact NH2-O 3.08Å
67	S	94.6	Very high	91	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-31.5	174.7	-64.8	0	0	0	0	113.6	N65 L71 L419 D420	N65-S67 PolarHBondContact O-N 3.13Å; S67-L71 WeakPolarHBondContact O-CB 3.36Å; S67-L71 PolarHBondContact O-N 3.09Å; S67-L419 VanDerWaalsContact CB-CB 3.46Å; S67-L419 WeakPolarHBondContact OG-CB 3.44Å; S67-L419 PolarHBondContact OG-O 3.36Å; S67-D420 VanDerWaalsContact CB-OD1 3.26Å; S67-D420 WeakPolarHBondContact CB-OD1 3.49Å; S67-D420 PolarHBondContact N-OD1 2.6Å; S67-D420 WeakPolarHBondContact OG-CA 3.49Å; S67-D420 PolarHBondContact OG-N 3.33Å; S67-D420 PolarHBondContact OG-OD1 3.49Å
68	I	94	Very high	91.1	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-75.7	-36.3	174.8	-62.6	-66.4	0	0	0	110.4	L58 N65 R66 L70 L71 R72 A351 I355 L419	L58-I68 HydrophobicContact CD1-CG2 4.01Å; L58-I68 HydrophobicContact CD2-CG2 3.81Å; N65-I68 HydrophobicContact CB-CB 4.26Å; N65-I68 HydrophobicContact CB-CG1 4.11Å; N65-I68 WeakPolarHBondContact ND2-CG1 3.44Å; N65-I68 WeakPolarHBondContact O-CB 3.48Å; N65-I68 PolarHBondContact O-N 3.42Å; R66-I68 VanDerWaalsContact C-N 3.31Å; R66-I68 PolarHBondContact O-N 3.17Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L71 HydrophobicContact CD1-CD2 4.4Å; I68-L71 WeakPolarHBondContact O-CB 3.47Å; I68-L71 PolarHBondContact O-N 3.16Å; I68-R72 PolarHBondContact O-N 3.13Å; I68-A351 HydrophobicContact CD1-CB 4.37Å; I68-I355 HydrophobicContact CD1-CD1 3.98Å; I68-I355 HydrophobicContact CD1-CG1 4Å; I68-L419 HydrophobicContact CD1-CD1 3.88Å; I68-L419 HydrophobicContact CG1-CD1 4.28Å
69	D	93.4	Very high	91.3	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.134	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-39.2	171.6	-64	-11.7	0	0	0	111.5	P62 T63 N65 R66 R72 R73	P62-D69 WeakPolarHBondContact CA-OD2 3.48Å; T63-D69 PolarHBondContact N-OD1 3.49Å; T63-D69 PolarHBondContact N-OD2 3.09Å; T63-D69 PolarHBondContact OG1-OD1 3.31Å; N65-D69 PolarHBondContact O-N 3.45Å; R66-D69 PolarHBondContact O-N 3.44Å; D69-R72 PolarHBondContact O-N 2.88Å; D69-R73 WeakPolarHBondContact O-CB 3.47Å; D69-R73 PolarHBondContact O-N 3.26Å
70	L	95.1	Very high	91.6	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-47.9	172.5	174.6	64.7	0	0	0	111.2	R66 I68 R72 R73 V74 L348 L426 L427 I438	R66-L70 WeakPolarHBondContact O-CB 3.31Å; R66-L70 PolarHBondContact O-N 3.26Å; I68-L70 VanDerWaalsContact C-N 3.32Å; L70-R72 VanDerWaalsContact C-N 3.31Å; L70-R72 PolarHBondContact O-N 2.96Å; L70-R73 WeakPolarHBondContact O-CB 3.34Å; L70-R73 PolarHBondContact O-N 2.95Å; L70-R73 VanDerWaalsContact O-N 3.13Å; L70-V74 HydrophobicContact CD1-CG2 4.13Å; L70-V74 HydrophobicContact CG-CG2 4.49Å; L70-V74 WeakPolarHBondContact O-CG2 3.22Å; L70-V74 PolarHBondContact O-N 3.2Å; L70-L348 HydrophobicContact CD2-CD2 4.2Å; L70-L348 HydrophobicContact CG-CD1 4.33Å; L70-L426 HydrophobicContact CD2-CB 3.69Å; L70-L426 HydrophobicContact CD2-CD1 4.03Å; L70-L427 HydrophobicContact CB-CD2 3.76Å; L70-L427 HydrophobicContact CD2-CD2 3.9Å; L70-L427 HydrophobicContact CD2-CG 4.44Å; L70-L427 HydrophobicContact CG-CD2 4.31Å; L70-I438 HydrophobicContact CD1-CB 3.81Å; L70-I438 HydrophobicContact CD1-CD1 3.86Å; L70-I438 HydrophobicContact CD1-CG1 4.42Å; L70-I438 HydrophobicContact CD1-CG2 3.83Å
71	L	95	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.5	-47.8	176.2	174.9	67.4	0	0	0	111.9	L55 S67 I68 V74 Y75 L337 L348 A351 M352 I355	L55-L71 HydrophobicContact CD2-CD1 4.45Å; L55-L71 HydrophobicContact CD2-CD2 4Å; L55-L71 HydrophobicContact CD2-CG 3.94Å; S67-L71 WeakPolarHBondContact O-CB 3.36Å; S67-L71 PolarHBondContact O-N 3.09Å; I68-L71 HydrophobicContact CD1-CD2 4.4Å; I68-L71 WeakPolarHBondContact O-CB 3.47Å; I68-L71 PolarHBondContact O-N 3.16Å; L71-V74 PolarHBondContact O-N 3.2Å; L71-Y75 WeakPolarHBondContact O-CB 3.31Å; L71-Y75 PolarHBondContact O-N 3.47Å; L71-L337 HydrophobicContact CD1-CB 4.39Å; L71-L337 HydrophobicContact CD1-CD1 3.89Å; L71-L337 HydrophobicContact CD1-CD2 3.77Å; L71-L337 HydrophobicContact CD1-CG 4.23Å; L71-L348 HydrophobicContact CB-CD1 4.16Å; L71-L348 HydrophobicContact CD1-CB 3.79Å; L71-L348 HydrophobicContact CD1-CD1 3.87Å; L71-L348 HydrophobicContact CD1-CG 4.5Å; L71-A351 HydrophobicContact CB-CB 4.34Å; L71-A351 HydrophobicContact CD2-CB 3.95Å; L71-M352 HydrophobicContact CD1-CG 3.88Å; L71-M352 HydrophobicContact CD1-SD 3.66Å; L71-M352 HydrophobicContact CD2-CG 4.35Å; L71-M352 HydrophobicContact CD2-SD 3.63Å; L71-M352 HydrophobicContact CG-SD 4.11Å; L71-I355 HydrophobicContact CD2-CD1 3.43Å; L71-I355 VanDerWaalsContact CD2-CD1 3.43Å
72	R	94.1	Very high	92.6	Very high	38 Å²	38	48.5 Å²	48.5	14%	0.143	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-45.3	175.5	178.8	176.7	60.8	116.9	-15.6	111.8	L58 P59 R60 I68 D69 L70 V74 Y75 D76	L58-R72 HydrophobicContact CD1-CB 4.24Å; P59-R72 WeakPolarHBondContact O-CD 3.45Å; P59-R72 PolarHBondContact O-NE 3.24Å; R60-R72 PolarHBondContact O-NH1 2.84Å; R60-R72 PolarHBondContact O-NH2 3.27Å; I68-R72 PolarHBondContact O-N 3.13Å; D69-R72 PolarHBondContact O-N 2.88Å; L70-R72 VanDerWaalsContact C-N 3.31Å; L70-R72 PolarHBondContact O-N 2.96Å; R72-V74 PolarHBondContact O-N 3.36Å; R72-Y75 WeakPolarHBondContact O-CB 3.5Å; R72-Y75 PolarHBondContact O-N 2.78Å; R72-D76 WeakPolarHBondContact CG-OD2 3.28Å; R72-D76 WeakPolarHBondContact O-CB 3.44Å; R72-D76 PolarHBondContact O-N 3.46Å
73	R	94.4	Very high	93.2	Very high	89 Å²	89	46.3 Å²	46.3	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-58.4	-46.1	178.1	-178.5	-176.2	-63.6	172.1	1.5	112	D69 L70 Y75 D76 A77 I438 S440	D69-R73 WeakPolarHBondContact O-CB 3.47Å; D69-R73 PolarHBondContact O-N 3.26Å; L70-R73 WeakPolarHBondContact O-CB 3.34Å; L70-R73 PolarHBondContact O-N 2.95Å; L70-R73 VanDerWaalsContact O-N 3.13Å; R73-Y75 VanDerWaalsContact C-N 3.33Å; R73-D76 PolarHBondContact O-N 3.49Å; R73-A77 WeakPolarHBondContact O-CB 3.38Å; R73-A77 PolarHBondContact O-N 3.28Å; R73-I438 PolarHBondContact NH1-O 3.3Å; R73-S440 PolarHBondContact NH2-OG 3.27Å
74	V	95.7	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-40	178.4	176.4	0	0	0	0	110.8	L70 L71 R72 C78 Y336 L337 L348 I438 I447 M451	L70-V74 HydrophobicContact CD1-CG2 4.13Å; L70-V74 HydrophobicContact CG-CG2 4.49Å; L70-V74 WeakPolarHBondContact O-CG2 3.22Å; L70-V74 PolarHBondContact O-N 3.2Å; L71-V74 PolarHBondContact O-N 3.2Å; R72-V74 PolarHBondContact O-N 3.36Å; V74-C78 WeakPolarHBondContact O-CB 3.1Å; V74-C78 PolarHBondContact O-N 2.98Å; V74-Y336 HydrophobicContact CG1-CD1 4.39Å; V74-Y336 HydrophobicContact CG1-CE1 3.8Å; V74-L337 HydrophobicContact CB-CD2 4.01Å; V74-L337 HydrophobicContact CG1-CD2 3.52Å; V74-L348 HydrophobicContact CB-CD1 4.2Å; V74-L348 HydrophobicContact CG2-CD1 4Å; V74-I438 HydrophobicContact CG2-CD1 4.26Å; V74-I447 HydrophobicContact CB-CG2 4.44Å; V74-I447 HydrophobicContact CG1-CG2 3.95Å; V74-I447 HydrophobicContact CG2-CG2 3.87Å; V74-M451 HydrophobicContact CG1-CE 4.14Å; V74-M451 HydrophobicContact CG1-SD 4.49Å; V74-M451 HydrophobicContact CG2-SD 4.44Å
75	Y	95.4	Very high	94.7	Very high	4 Å²	4	42 Å²	42	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-50.6	174.7	-176.4	-113.2	0	0	0	112.3	L55 L71 R72 R73 A77 C78 M79 C333 V334 L337	L55-Y75 HydrophobicContact CB-CD1 4.03Å; L55-Y75 HydrophobicContact CB-CE1 3.98Å; L55-Y75 HydrophobicContact CB-CG 4.4Å; L55-Y75 HydrophobicContact CD1-CD1 4.36Å; L55-Y75 HydrophobicContact CD1-CD2 3.63Å; L55-Y75 HydrophobicContact CD1-CE1 4.46Å; L55-Y75 HydrophobicContact CD1-CE2 3.74Å; L55-Y75 HydrophobicContact CD1-CG 3.94Å; L55-Y75 HydrophobicContact CD2-CG 4.45Å; L71-Y75 WeakPolarHBondContact O-CB 3.31Å; L71-Y75 PolarHBondContact O-N 3.47Å; R72-Y75 WeakPolarHBondContact O-CB 3.5Å; R72-Y75 PolarHBondContact O-N 2.78Å; R73-Y75 VanDerWaalsContact C-N 3.33Å; Y75-A77 VanDerWaalsContact C-N 3.35Å; Y75-A77 PolarHBondContact O-N 3.39Å; Y75-C78 WeakPolarHBondContact O-CB 3.22Å; Y75-C78 PolarHBondContact O-N 3.38Å; Y75-C78 VanDerWaalsContact O-N 3.13Å; Y75-M79 HydrophobicContact CD1-CG 4.24Å; Y75-M79 HydrophobicContact CD2-CG 4.31Å; Y75-M79 HydrophobicContact CE1-CG 3.89Å; Y75-M79 HydrophobicContact CE2-CG 3.96Å; Y75-M79 HydrophobicContact CE2-SD 4.09Å; Y75-M79 HydrophobicContact CG-CG 4.45Å; Y75-M79 WeakPolarHBondContact O-CG 3.42Å; Y75-M79 PolarHBondContact O-N 2.93Å; Y75-C333 HydrophobicContact CD2-CB 3.82Å; Y75-C333 HydrophobicContact CE2-CB 3.75Å; Y75-V334 HydrophobicContact CE2-CG2 4.25Å; Y75-L337 HydrophobicContact CD2-CD1 3.86Å; Y75-L337 HydrophobicContact CG-CD1 4.3Å
76	D	95.6	Very high	95.2	Very high	51 Å²	51	46 Å²	46	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-44.2	-179.9	-73	-25	0	0	0	110.5	R60 R72 R73 C78 M79 D80	R60-D76 IonicContact NH1-OD1 3.53Å; R60-D76 PolarHBondContact NH1-OD1 2.87Å; R60-D76 IonicContact NH1-OD2 3.24Å; R60-D76 PolarHBondContact NH1-OD2 3.45Å; R60-D76 VanDerWaalsContact NH1-OD2 3.12Å; R72-D76 WeakPolarHBondContact CG-OD2 3.28Å; R72-D76 WeakPolarHBondContact O-CB 3.44Å; R72-D76 PolarHBondContact O-N 3.46Å; R73-D76 PolarHBondContact O-N 3.49Å; D76-C78 VanDerWaalsContact C-N 3.32Å; D76-C78 PolarHBondContact O-N 3.33Å; D76-M79 PolarHBondContact O-N 2.92Å; D76-D80 PolarHBondContact O-N 3.1Å; D76-D80 VanDerWaalsContact O-N 3.08Å
77	A	95.7	Very high	95.2	Very high	23 Å²	23	43.2 Å²	43.2	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-35.3	176.1	0	0	0	0	0	112.9	R73 Y75 I447	R73-A77 WeakPolarHBondContact O-CB 3.38Å; R73-A77 PolarHBondContact O-N 3.28Å; Y75-A77 VanDerWaalsContact C-N 3.35Å; Y75-A77 PolarHBondContact O-N 3.39Å; A77-I447 HydrophobicContact CB-CD1 3.54Å
78	C	95.4	Very high	95.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-40.1	174.1	-178.4	0	0	0	0	112	V74 Y75 D76 D80 R329 C333 F444	V74-C78 WeakPolarHBondContact O-CB 3.1Å; V74-C78 PolarHBondContact O-N 2.98Å; Y75-C78 WeakPolarHBondContact O-CB 3.22Å; Y75-C78 PolarHBondContact O-N 3.38Å; Y75-C78 VanDerWaalsContact O-N 3.13Å; D76-C78 VanDerWaalsContact C-N 3.32Å; D76-C78 PolarHBondContact O-N 3.33Å; C78-D80 VanDerWaalsContact C-N 3.33Å; C78-R329 VanDerWaalsContact O-CZ 3.23Å; C78-R329 PolarHBondContact O-NE 3.38Å; C78-R329 PolarHBondContact O-NH2 2.77Å; C78-C333 HydrophobicContact CB-CB 3.73Å; C78-C333 WeakPolarHBondContact CB-SG 3.27Å; C78-C333 PolarHBondContact O-SG 3.41Å; C78-C333 WeakPolarHBondContact SG-CA 3.44Å; C78-C333 WeakPolarHBondContact SG-CB 3.24Å; C78-C333 CovalentContact SG-SG 2.03Å; C78-C333 PolarHBondContact SG-SG 3.22Å; C78-F444 HydrophobicContact CB-CD2 3.65Å; C78-F444 HydrophobicContact CB-CE1 4.44Å; C78-F444 HydrophobicContact CB-CE2 3.4Å; C78-F444 HydrophobicContact CB-CG 4.3Å; C78-F444 HydrophobicContact CB-CZ 3.84Å; C78-F444 VanDerWaalsContact SG-CZ 3.53Å
79	M	95.7	Very high	95.2	Very high	67 Å²	67	44.8 Å²	44.8	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-70.9	-26.6	-178.4	-72.4	-62.9	-61.9	0	0	113.3	Y75 D76 E81 R329 S330 C333	Y75-M79 HydrophobicContact CD1-CG 4.24Å; Y75-M79 HydrophobicContact CD2-CG 4.31Å; Y75-M79 HydrophobicContact CE1-CG 3.89Å; Y75-M79 HydrophobicContact CE2-CG 3.96Å; Y75-M79 HydrophobicContact CE2-SD 4.09Å; Y75-M79 HydrophobicContact CG-CG 4.45Å; Y75-M79 WeakPolarHBondContact O-CG 3.42Å; Y75-M79 PolarHBondContact O-N 2.93Å; D76-M79 PolarHBondContact O-N 2.92Å; M79-E81 VanDerWaalsContact C-N 3.31Å; M79-E81 PolarHBondContact O-N 3.22Å; M79-R329 HydrophobicContact SD-CB 4.45Å; M79-R329 HydrophobicContact SD-CG 4.12Å; M79-S330 WeakPolarHBondContact SD-CA 3.29Å; M79-C333 HydrophobicContact SD-CB 4.2Å
80	D	96.2	Very high	95.3	Very high	67 Å²	67	50 Å²	50	36%	0.358	25%	0.254	S	S	.	.			trans	-77	75.6	-179.2	-171	-3.2	0	0	0	112.4	D76 C78 E82 S83 I84	D76-D80 PolarHBondContact O-N 3.1Å; D76-D80 VanDerWaalsContact O-N 3.08Å; C78-D80 VanDerWaalsContact C-N 3.33Å; D80-E82 PolarHBondContact O-N 2.66Å; D80-E82 PolarHBondContact OD1-N 3.21Å; D80-S83 VanDerWaalsContact CG-CB 3.42Å; D80-S83 PolarHBondContact O-N 3.27Å; D80-S83 PolarHBondContact OD1-N 3.43Å; D80-S83 PolarHBondContact OD1-OG 3.33Å; D80-S83 WeakPolarHBondContact OD2-CB 3.48Å; D80-S83 PolarHBondContact OD2-OG 2.96Å; D80-I84 WeakPolarHBondContact O-CG1 3.4Å; D80-I84 PolarHBondContact O-N 2.92Å
81	E	95	Very high	95.3	Very high	68 Å²	68	50.5 Å²	50.5	32%	0.318	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-31.1	176.2	-66.2	-172.2	105.1	0	0	112.3	M79 I84 E85 R329	M79-E81 VanDerWaalsContact C-N 3.31Å; M79-E81 PolarHBondContact O-N 3.22Å; E81-I84 PolarHBondContact O-N 3.3Å; E81-E85 VanDerWaalsContact O-CG 3.32Å; E81-E85 WeakPolarHBondContact O-CG 3.38Å; E81-E85 PolarHBondContact O-N 3.23Å; E81-R329 HydrophobicContact CG-CG 3.89Å
82	E	96.5	Very high	95.3	Very high	141 Å²	141	50.5 Å²	50.5	66%	0.659	26%	0.258	S	S	*	.	H	α-helix	trans	-63.3	-45.2	178.7	-175.5	179.3	173.4	0	0	111	D80 I84 E85 N86	D80-E82 PolarHBondContact O-N 2.66Å; D80-E82 PolarHBondContact OD1-N 3.21Å; E82-I84 VanDerWaalsContact C-N 3.32Å; E82-I84 PolarHBondContact O-N 3.26Å; E82-E85 PolarHBondContact O-N 3.42Å; E82-N86 VanDerWaalsContact O-CB 3.29Å; E82-N86 WeakPolarHBondContact O-CB 3.31Å; E82-N86 PolarHBondContact O-N 3.44Å; E82-N86 PolarHBondContact O-ND2 3.21Å
83	S	95.9	Very high	95.2	Very high	58 Å²	58	50 Å²	50	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-62.9	-37.2	174.3	-73.5	0	0	0	0	112.7	D80 N86 V87	D80-S83 VanDerWaalsContact CG-CB 3.42Å; D80-S83 PolarHBondContact O-N 3.27Å; D80-S83 PolarHBondContact OD1-N 3.43Å; D80-S83 PolarHBondContact OD1-OG 3.33Å; D80-S83 WeakPolarHBondContact OD2-CB 3.48Å; D80-S83 PolarHBondContact OD2-OG 2.96Å; S83-N86 PolarHBondContact O-N 2.84Å; S83-V87 WeakPolarHBondContact O-CG2 3.28Å; S83-V87 PolarHBondContact O-N 3.25Å; S83-V87 VanDerWaalsContact O-N 3.16Å
84	I	95.4	Very high	95.2	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.072	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-44.6	176.6	-65.7	169.5	0	0	0	110.9	D80 E81 E82 V87 F444	D80-I84 WeakPolarHBondContact O-CG1 3.4Å; D80-I84 PolarHBondContact O-N 2.92Å; E81-I84 PolarHBondContact O-N 3.3Å; E82-I84 VanDerWaalsContact C-N 3.32Å; E82-I84 PolarHBondContact O-N 3.26Å; I84-V87 VanDerWaalsContact O-CG2 3.28Å; I84-V87 WeakPolarHBondContact O-CG2 3.4Å; I84-F444 HydrophobicContact CD1-CB 4.02Å; I84-F444 HydrophobicContact CD1-CD1 4.03Å; I84-F444 HydrophobicContact CD1-CG 4.36Å; I84-F444 HydrophobicContact CG1-CB 4.22Å
85	E	96.4	Very high	95.1	Very high	67 Å²	67	49.7 Å²	49.7	31%	0.313	26%	0.262	S	S	.	.	H	α-helix	trans	-65	-42.7	176.5	-67.9	-63	140.9	0	0	111.4	E81 E82 V87 S88 R307	E81-E85 VanDerWaalsContact O-CG 3.32Å; E81-E85 WeakPolarHBondContact O-CG 3.38Å; E81-E85 PolarHBondContact O-N 3.23Å; E82-E85 PolarHBondContact O-N 3.42Å; E85-V87 PolarHBondContact O-N 3.19Å; E85-S88 PolarHBondContact O-N 3.11Å; E85-S88 VanDerWaalsContact O-N 3.07Å; E85-R307 WeakPolarHBondContact OE1-CG 3.27Å; E85-R307 PolarHBondContact OE1-N 3.36Å
86	N	95.9	Very high	95	Very high	118 Å²	118	49.6 Å²	49.6	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-65.7	-35.2	-177.1	-76.8	-25.1	0	0	0	113.7	E82 S83 S88	E82-N86 VanDerWaalsContact O-CB 3.29Å; E82-N86 WeakPolarHBondContact O-CB 3.31Å; E82-N86 PolarHBondContact O-N 3.44Å; E82-N86 PolarHBondContact O-ND2 3.21Å; S83-N86 PolarHBondContact O-N 2.84Å; N86-S88 PolarHBondContact O-N 3.36Å
87	V	94	Very high	94.8	Very high	57 Å²	57	51 Å²	51	35%	0.345	27%	0.266	S	S	.	.	H	α-helix	trans	-74.9	-15.2	175.3	-62	0	0	0	0	112.8	S83 I84 E85 K90 P91	S83-V87 WeakPolarHBondContact O-CG2 3.28Å; S83-V87 PolarHBondContact O-N 3.25Å; S83-V87 VanDerWaalsContact O-N 3.16Å; I84-V87 VanDerWaalsContact O-CG2 3.28Å; I84-V87 WeakPolarHBondContact O-CG2 3.4Å; E85-V87 PolarHBondContact O-N 3.19Å; V87-K90 WeakPolarHBondContact O-CB 3.28Å; V87-K90 PolarHBondContact O-N 2.94Å; V87-P91 HydrophobicContact CB-CG 4.04Å; V87-P91 HydrophobicContact CG2-CG 3.72Å
88	S	94.5	Very high	94.7	Very high	39 Å²	39	54.3 Å²	54.3	27%	0.273	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-139.4	178.3	-167.8	0	0	0	0	112.6	E85 N86 K90 P91	E85-S88 PolarHBondContact O-N 3.11Å; E85-S88 VanDerWaalsContact O-N 3.07Å; N86-S88 PolarHBondContact O-N 3.36Å; S88-K90 VanDerWaalsContact C-N 3.32Å; S88-P91 WeakPolarHBondContact O-CD 3.36Å
89	S	94	Very high	94.5	Very high	9 Å²	9	54.3 Å²	54.3	6%	0.063	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0	178.8	52.5	0	0	0	0	114.6	L92 F93 D194	S89-L92 WeakPolarHBondContact O-CB 3.42Å; S89-L92 PolarHBondContact O-N 3.06Å; S89-L92 VanDerWaalsContact O-N 3.1Å; S89-F93 VanDerWaalsContact O-CD2 3.23Å; S89-F93 WeakPolarHBondContact O-CD2 3.29Å; S89-F93 PolarHBondContact O-N 3.13Å; S89-F93 WeakPolarHBondContact OG-CE2 3.34Å; S89-D194 WeakPolarHBondContact CB-OD2 3.35Å; S89-D194 PolarHBondContact OG-OD2 2.81Å
90	K	94.6	Very high	94.3	Very high	135 Å²	135	51.3 Å²	51.3	59%	0.587	26%	0.259	S	S	*	.	H	α-helix	trans	-54.1	-47.2	179.7	178.7	-178.6	175.3	179.1	0	113.2	V87 S88 L92 F93 D94	V87-K90 WeakPolarHBondContact O-CB 3.28Å; V87-K90 PolarHBondContact O-N 2.94Å; S88-K90 VanDerWaalsContact C-N 3.32Å; K90-L92 PolarHBondContact O-N 3.16Å; K90-F93 PolarHBondContact O-N 3.02Å; K90-F93 VanDerWaalsContact O-N 3.09Å; K90-D94 WeakPolarHBondContact CE-OD2 3.4Å; K90-D94 PolarHBondContact O-N 3.02Å
91	P	95.4	Very high	93.7	Very high	14 Å²	14	50.4 Å²	50.4	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-32.9	179.6	-23.5	34.8	0	0	0	113.3	V87 S88 L95 F445	V87-P91 HydrophobicContact CB-CG 4.04Å; V87-P91 HydrophobicContact CG2-CG 3.72Å; S88-P91 WeakPolarHBondContact O-CD 3.36Å; P91-L95 VanDerWaalsContact O-CB 3.32Å; P91-L95 WeakPolarHBondContact O-CB 3.43Å; P91-L95 PolarHBondContact O-N 3.41Å; P91-F445 HydrophobicContact CB-CB 3.97Å; P91-F445 HydrophobicContact CB-CD1 3.39Å; P91-F445 HydrophobicContact CB-CD2 4.15Å; P91-F445 HydrophobicContact CB-CE1 3.84Å; P91-F445 HydrophobicContact CB-CE2 4.5Å; P91-F445 HydrophobicContact CB-CG 3.58Å; P91-F445 HydrophobicContact CB-CZ 4.37Å; P91-F445 HydrophobicContact CG-CB 4.49Å; P91-F445 VanDerWaalsContact O-CE1 3.28Å; P91-F445 WeakPolarHBondContact O-CE1 3.17Å
92	L	94.9	Very high	92.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-49.7	174.1	178.1	63	0	0	0	110.4	S89 K90 D94 L95 L96 I191 I298 R301 L305 Y309 F445	S89-L92 WeakPolarHBondContact O-CB 3.42Å; S89-L92 PolarHBondContact O-N 3.06Å; S89-L92 VanDerWaalsContact O-N 3.1Å; K90-L92 PolarHBondContact O-N 3.16Å; L92-D94 PolarHBondContact O-N 2.89Å; L92-L95 WeakPolarHBondContact O-CB 3.35Å; L92-L95 PolarHBondContact O-N 2.69Å; L92-L96 HydrophobicContact CD1-CD1 3.81Å; L92-L96 HydrophobicContact CD1-CD2 4.45Å; L92-L96 HydrophobicContact CD1-CG 4.06Å; L92-L96 HydrophobicContact CD2-CD1 4.29Å; L92-L96 HydrophobicContact CG-CD1 3.64Å; L92-L96 HydrophobicContact CG-CG 4.29Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.43Å; L92-I191 HydrophobicContact CD2-CG1 4.5Å; L92-I298 HydrophobicContact CD1-CG1 4.34Å; L92-R301 HydrophobicContact CD1-CB 4.5Å; L92-L305 HydrophobicContact CB-CD1 4.01Å; L92-L305 HydrophobicContact CB-CD2 3.95Å; L92-L305 HydrophobicContact CD1-CD1 4.42Å; L92-L305 HydrophobicContact CD2-CD1 3.86Å; L92-L305 HydrophobicContact CG-CD1 4.3Å; L92-Y309 HydrophobicContact CD2-CD1 4.27Å; L92-Y309 HydrophobicContact CD2-CE1 3.8Å; L92-F445 HydrophobicContact CB-CZ 4.46Å
93	F	93.3	Very high	91.2	Very high	27 Å²	27	47.4 Å²	47.4	12%	0.118	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-38	-179.7	-63.9	-57.7	0	0	0	113.1	S89 K90 L95 L96 E97 I191 D194 K195	S89-F93 VanDerWaalsContact O-CD2 3.23Å; S89-F93 WeakPolarHBondContact O-CD2 3.29Å; S89-F93 PolarHBondContact O-N 3.13Å; S89-F93 WeakPolarHBondContact OG-CE2 3.34Å; K90-F93 PolarHBondContact O-N 3.02Å; K90-F93 VanDerWaalsContact O-N 3.09Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.38Å; F93-L96 HydrophobicContact CD1-CD1 4.37Å; F93-L96 PolarHBondContact O-N 2.86Å; F93-E97 PolarHBondContact O-N 3.44Å; F93-I191 HydrophobicContact CE1-CG2 4.17Å; F93-D194 HydrophobicContact CE2-CB 3.82Å; F93-D194 HydrophobicContact CZ-CB 3.77Å; F93-K195 HydrophobicContact CD1-CB 4.25Å; F93-K195 HydrophobicContact CD1-CD 3.51Å; F93-K195 HydrophobicContact CE1-CB 3.63Å; F93-K195 HydrophobicContact CE1-CD 3.7Å; F93-K195 HydrophobicContact CE1-CG 4.33Å; F93-K195 HydrophobicContact CE2-CB 4.17Å; F93-K195 HydrophobicContact CG-CD 4.06Å; F93-K195 HydrophobicContact CZ-CB 3.59Å; F93-K195 HydrophobicContact CZ-CD 4.39Å
94	D	93.8	Very high	90.5	Very high	83 Å²	83	45 Å²	45	44%	0.444	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-38.6	174.2	-68.4	-17.5	0	0	0	111	K90 L92 R98	K90-D94 WeakPolarHBondContact CE-OD2 3.4Å; K90-D94 PolarHBondContact O-N 3.02Å; L92-D94 PolarHBondContact O-N 2.89Å; D94-R98 WeakPolarHBondContact O-CG 3.31Å; D94-R98 PolarHBondContact O-N 3.15Å; D94-R98 VanDerWaalsContact O-N 3.12Å
95	L	94.4	Very high	89.8	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-45.2	173	-175.1	76.5	0	0	0	112.2	P91 L92 F93 R98 A99 F127 L297 R301 F445 T449	P91-L95 VanDerWaalsContact O-CB 3.32Å; P91-L95 WeakPolarHBondContact O-CB 3.43Å; P91-L95 PolarHBondContact O-N 3.41Å; L92-L95 WeakPolarHBondContact O-CB 3.35Å; L92-L95 PolarHBondContact O-N 2.69Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 3.38Å; L95-R98 WeakPolarHBondContact O-CB 3.44Å; L95-R98 PolarHBondContact O-N 2.93Å; L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 3.28Å; L95-F127 HydrophobicContact CD1-CD1 3.46Å; L95-F127 VanDerWaalsContact CD1-CD1 3.46Å; L95-F127 HydrophobicContact CD1-CE1 3.4Å; L95-F127 VanDerWaalsContact CD1-CE1 3.4Å; L95-F127 HydrophobicContact CD1-CZ 4.45Å; L95-F127 HydrophobicContact CG-CD1 4.42Å; L95-F127 HydrophobicContact CG-CE1 4.37Å; L95-L297 HydrophobicContact CD2-CD1 3.94Å; L95-L297 HydrophobicContact CD2-CD2 4.4Å; L95-L297 HydrophobicContact CD2-CG 4.15Å; L95-L297 HydrophobicContact CG-CD2 4.4Å; L95-R301 HydrophobicContact CD2-CG 3.62Å; L95-F445 HydrophobicContact CB-CE1 3.97Å; L95-F445 HydrophobicContact CB-CZ 4.17Å; L95-F445 HydrophobicContact CD2-CE1 3.97Å; L95-F445 HydrophobicContact CD2-CZ 3.7Å; L95-F445 HydrophobicContact CG-CE1 4.4Å; L95-T449 HydrophobicContact CD1-CG2 3.77Å
96	L	92.9	Very high	89.3	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.016	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-38.1	-178.3	-66.4	167.9	0	0	0	111.2	L92 F93 A99 F100 Y294 L297 I298	L92-L96 HydrophobicContact CD1-CD1 3.81Å; L92-L96 HydrophobicContact CD1-CD2 4.45Å; L92-L96 HydrophobicContact CD1-CG 4.06Å; L92-L96 HydrophobicContact CD2-CD1 4.29Å; L92-L96 HydrophobicContact CG-CD1 3.64Å; L92-L96 HydrophobicContact CG-CG 4.29Å; L92-L96 WeakPolarHBondContact O-CB 3.44Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 3.43Å; F93-L96 HydrophobicContact CD1-CD1 4.37Å; F93-L96 PolarHBondContact O-N 2.86Å; L96-A99 PolarHBondContact O-N 2.95Å; L96-F100 WeakPolarHBondContact O-CA 3.43Å; L96-F100 WeakPolarHBondContact O-CB 3.45Å; L96-F100 PolarHBondContact O-N 3.42Å; L96-Y294 HydrophobicContact CB-CE2 3.91Å; L96-Y294 HydrophobicContact CD1-CE1 4.36Å; L96-Y294 HydrophobicContact CD1-CE2 4.1Å; L96-Y294 WeakPolarHBondContact CD1-OH 3.37Å; L96-Y294 HydrophobicContact CD2-CD2 3.84Å; L96-Y294 HydrophobicContact CD2-CE2 3.51Å; L96-Y294 HydrophobicContact CG-CE2 4Å; L96-L297 HydrophobicContact CD2-CD2 3.92Å; L96-L297 HydrophobicContact CD2-CG 4.26Å; L96-I298 HydrophobicContact CD1-CG1 4.26Å; L96-I298 HydrophobicContact CD2-CG1 3.98Å
97	E	91.2	Very high	88.8	Confident	79 Å²	79	41.1 Å²	41.1	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-67	-38.1	172.9	-169.8	64.5	-144.4	0	0	111.8	F93 A99 F100 P101 G102	F93-E97 PolarHBondContact O-N 3.44Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.3Å; E97-F100 CarbonylContact O-C 3.44Å; E97-P101 VanDerWaalsContact O-CA 3.28Å; E97-P101 WeakPolarHBondContact O-CA 3.3Å; E97-G102 PolarHBondContact OE1-N 2.93Å
98	R	92.6	Very high	88.3	Confident	94 Å²	94	42.5 Å²	42.5	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-62.2	-41.6	172.9	-79.5	-173.2	-67	172.2	-9.8	112	D94 L95 K122 F127 E446	D94-R98 WeakPolarHBondContact O-CG 3.31Å; D94-R98 PolarHBondContact O-N 3.15Å; D94-R98 VanDerWaalsContact O-N 3.12Å; L95-R98 WeakPolarHBondContact O-CB 3.44Å; L95-R98 PolarHBondContact O-N 2.93Å; R98-K122 WeakPolarHBondContact O-CE 3.27Å; R98-K122 PolarHBondContact O-NZ 2.91Å; R98-F127 HydrophobicContact CB-CZ 4.16Å; R98-E446 IonicContact CZ-OE1 2.73Å; R98-E446 IonicContact CZ-OE2 3.42Å; R98-E446 IonicContact NH1-OE1 3.65Å; R98-E446 PolarHBondContact NH1-OE1 2.71Å; R98-E446 VanDerWaalsContact NH1-OE1 3.12Å; R98-E446 IonicContact NH1-OE2 3.37Å; R98-E446 IonicContact NH2-OE1 2.65Å; R98-E446 IonicContact NH2-OE2 3.39Å; R98-E446 PolarHBondContact NH2-OE2 2.82Å
99	A	92.2	Very high	87.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-76.4	-46.5	-177.7	0	0	0	0	0	112.2	L95 L96 E97 P101 K122 F127 L297	L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 3.28Å; L96-A99 PolarHBondContact O-N 2.95Å; E97-A99 VanDerWaalsContact C-N 3.35Å; E97-A99 PolarHBondContact O-N 3.3Å; A99-P101 VanDerWaalsContact C-CD 3.5Å; A99-P101 VanDerWaalsContact O-CD 3.29Å; A99-P101 WeakPolarHBondContact O-CD 3.48Å; A99-K122 PolarHBondContact O-NZ 3.33Å; A99-F127 HydrophobicContact CB-CD2 4.24Å; A99-F127 HydrophobicContact CB-CE2 3.56Å; A99-F127 HydrophobicContact CB-CZ 3.89Å; A99-L297 HydrophobicContact CB-CD2 3.42Å; A99-L297 VanDerWaalsContact CB-CD2 3.42Å
100	F	90.5	Very high	86	Confident	5 Å²	5	46.1 Å²	46.1	2%	0.022	23%	0.234	C	C	.	.	S	Bend	trans	-120.6	70.1	-174.7	-59.5	-101.7	0	0	0	110.4	L96 E97 G102 H104 Y109 L119 L123 Y290 L293 Y294 L297	L96-F100 WeakPolarHBondContact O-CA 3.43Å; L96-F100 WeakPolarHBondContact O-CB 3.45Å; L96-F100 PolarHBondContact O-N 3.42Å; E97-F100 CarbonylContact O-C 3.44Å; F100-G102 PolarHBondContact O-N 3.19Å; F100-H104 HydrophobicContact CB-CB 4.14Å; F100-H104 HydrophobicContact CD1-CB 4.49Å; F100-Y109 HydrophobicContact CD1-CE2 4.23Å; F100-L119 HydrophobicContact CD1-CD1 4.4Å; F100-L119 HydrophobicContact CD1-CD2 4Å; F100-L119 HydrophobicContact CE1-CD1 4.14Å; F100-L119 HydrophobicContact CE1-CD2 3.41Å; F100-L119 VanDerWaalsContact CE1-CD2 3.41Å; F100-L119 HydrophobicContact CE1-CG 4.34Å; F100-L119 HydrophobicContact CZ-CD1 4.18Å; F100-L119 HydrophobicContact CZ-CD2 3.99Å; F100-L123 HydrophobicContact CE2-CD2 4.35Å; F100-Y290 HydrophobicContact CE1-CD1 4.41Å; F100-L293 HydrophobicContact CE1-CB 4.43Å; F100-L293 HydrophobicContact CZ-CB 4.15Å; F100-Y294 HydrophobicContact CD1-CD2 4.3Å; F100-Y294 AromaticContact CD2-CD2 3.67Å; F100-Y294 HydrophobicContact CD2-CD2 3.67Å; F100-Y294 HydrophobicContact CD2-CE2 4.19Å; F100-Y294 HydrophobicContact CE1-CD2 4.31Å; F100-Y294 AromaticContact CE2-CD2 3.75Å; F100-Y294 HydrophobicContact CE2-CD2 3.75Å; F100-Y294 AromaticContact CG-CD2 3.99Å; F100-Y294 HydrophobicContact CG-CD2 3.99Å; F100-Y294 HydrophobicContact CG-CE2 4.46Å; F100-Y294 HydrophobicContact CZ-CD2 4.08Å; F100-L297 HydrophobicContact CD2-CD2 4.44Å; F100-L297 HydrophobicContact CE2-CD2 3.92Å
101	P	84.6	Confident	84.2	Confident	47 Å²	47	46.7 Å²	46.7	31%	0.305	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	136	-177.9	27.4	-34.5	0	0	0	110.4	E97 A99 T113 I114	E97-P101 VanDerWaalsContact O-CA 3.28Å; E97-P101 WeakPolarHBondContact O-CA 3.3Å; A99-P101 VanDerWaalsContact C-CD 3.5Å; A99-P101 VanDerWaalsContact O-CD 3.29Å; A99-P101 WeakPolarHBondContact O-CD 3.48Å; P101-T113 PolarHBondContact O-OG1 2.87Å; P101-I114 VanDerWaalsContact CD-CD1 3.49Å; P101-I114 HydrophobicContact CG-CD1 3.7Å; P101-I114 HydrophobicContact CG-CG1 4.19Å
102	G	72.8	Confident	82.2	Confident	34 Å²	34	53.1 Å²	53.1	35%	0.351	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	33.2	179.3	0	0	0	0	0	114.8	E97 F100 M110	E97-G102 PolarHBondContact OE1-N 2.93Å; F100-G102 PolarHBondContact O-N 3.19Å; G102-M110 WeakPolarHBondContact O-CE 3.06Å
103	K	66.8	Low	81.2	Confident	113 Å²	113	56.7 Å²	56.7	49%	0.491	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	65.6	168.6	-55.2	-175.3	-176.6	-176.9	0	114.7	M110	K103-M110 HydrophobicContact CB-CE 4.41Å
104	H	79.6	Confident	80.9	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.032	30%	0.296	C	S	.	.			trans	-59.5	137	163.6	174.7	47.3	0	0	0	110.9	F100 Y109 D291 Y294	F100-H104 HydrophobicContact CB-CB 4.14Å; F100-H104 HydrophobicContact CD1-CB 4.49Å; H104-Y109 HydrophobicContact CB-CD2 4.1Å; H104-Y109 HydrophobicContact CB-CE2 4.47Å; H104-Y109 AromaticContact CE1-CD2 3.92Å; H104-Y109 AromaticContact CG-CD2 3.77Å; H104-Y109 AromaticContact ND1-CD2 3.41Å; H104-Y109 WeakPolarHBondContact ND1-CD2 3.43Å; H104-D291 IonicContact CE1-OD1 3.01Å; H104-D291 PolarHBondContact CE1-OD1 3.44Å; H104-D291 IonicContact NE2-OD1 3.21Å; H104-D291 PolarHBondContact NE2-OD1 2.74Å; H104-Y294 AromaticContact CD2-CD2 3.48Å; H104-Y294 VanDerWaalsContact CD2-CD2 3.48Å; H104-Y294 WeakPolarHBondContact CD2-CD2 3.41Å; H104-Y294 AromaticContact CD2-CE2 3.95Å; H104-Y294 AromaticContact CD2-CG 3.63Å; H104-Y294 AromaticContact NE2-CG 4Å
105	K	81.5	Confident	80.8	Confident	76 Å²	76	56 Å²	56	33%	0.33	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-122.7	148.5	173.8	-64.4	-176.3	177.4	-169.8	0	109.6	G107 N108 S197 D198	K105-G107 PolarHBondContact O-N 3.14Å; K105-G107 VanDerWaalsContact O-N 3.17Å; K105-N108 PolarHBondContact N-O 2.86Å; K105-N108 CarbonylContact O-C 3.5Å; K105-N108 VanDerWaalsContact O-C 3.27Å; K105-N108 PolarHBondContact O-N 3.28Å; K105-S197 WeakPolarHBondContact CE-O 3.46Å; K105-S197 PolarHBondContact NZ-O 2.9Å; K105-D198 HydrophobicContact CG-CB 4.48Å
106	L	86.6	Confident	80.7	Confident	17 Å²	17	57 Å²	57	9%	0.089	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	120.1	176.4	-179.1	67.7	0	0	0	110.4	N108 F188 I205 N208 I212 D291	L106-N108 VanDerWaalsContact C-N 3.3Å; L106-F188 HydrophobicContact CB-CD1 4.37Å; L106-F188 HydrophobicContact CB-CE1 4.41Å; L106-F188 HydrophobicContact CD1-CD1 4.1Å; L106-F188 HydrophobicContact CD1-CE1 3.75Å; L106-F188 HydrophobicContact CD1-CE2 4.2Å; L106-F188 HydrophobicContact CD1-CG 4.47Å; L106-F188 HydrophobicContact CD1-CZ 3.81Å; L106-F188 HydrophobicContact CD2-CB 4.09Å; L106-F188 HydrophobicContact CD2-CD1 3.85Å; L106-F188 HydrophobicContact CD2-CD2 4.41Å; L106-F188 HydrophobicContact CD2-CE1 4.36Å; L106-F188 HydrophobicContact CD2-CG 3.88Å; L106-F188 HydrophobicContact CG-CD1 4.33Å; L106-F188 HydrophobicContact CG-CE1 4.4Å; L106-I205 HydrophobicContact CD2-CB 4.3Å; L106-I205 HydrophobicContact CD2-CG1 4.09Å; L106-I205 HydrophobicContact CD2-CG2 4.28Å; L106-N208 HydrophobicContact CD1-CB 3.83Å; L106-N208 HydrophobicContact CD2-CB 3.97Å; L106-N208 HydrophobicContact CG-CB 3.65Å; L106-N208 PolarHBondContact O-ND2 3.22Å; L106-I212 HydrophobicContact CD1-CD1 3.77Å; L106-D291 WeakPolarHBondContact CA-OD1 3.49Å; L106-D291 HydrophobicContact CD1-CB 4.23Å
107	G	85.2	Confident	80.9	Confident	24 Å²	24	57.9 Å²	57.9	25%	0.247	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	13.1	-177.9	0	0	0	0	0	115.3	K105 N208 D291	K105-G107 PolarHBondContact O-N 3.14Å; K105-G107 VanDerWaalsContact O-N 3.17Å; G107-N208 WeakPolarHBondContact CA-ND2 3.23Å; G107-D291 VanDerWaalsContact CA-OD2 3.31Å; G107-D291 WeakPolarHBondContact CA-OD2 3.17Å; G107-D291 VanDerWaalsContact N-CG 3.34Å; G107-D291 PolarHBondContact N-OD1 3.24Å; G107-D291 VanDerWaalsContact N-OD1 3.07Å; G107-D291 PolarHBondContact N-OD2 2.78Å
108	N	82.8	Confident	81.1	Confident	87 Å²	87	55 Å²	55	47%	0.465	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-152.2	93	172.8	-176.3	4.4	0	0	0	110.1	K105 L106	K105-N108 PolarHBondContact N-O 2.86Å; K105-N108 CarbonylContact O-C 3.5Å; K105-N108 VanDerWaalsContact O-C 3.27Å; K105-N108 PolarHBondContact O-N 3.28Å; L106-N108 VanDerWaalsContact C-N 3.3Å
109	Y	74.4	Confident	81.2	Confident	15 Å²	15	50.5 Å²	50.5	6%	0.059	28%	0.276	C	S	.	.			trans	-88.2	110.4	169.3	-173.6	-102.9	0	0	0	109.1	F100 H104 E111 I114 D287 Y290	F100-Y109 HydrophobicContact CD1-CE2 4.23Å; H104-Y109 HydrophobicContact CB-CD2 4.1Å; H104-Y109 HydrophobicContact CB-CE2 4.47Å; H104-Y109 AromaticContact CE1-CD2 3.92Å; H104-Y109 AromaticContact CG-CD2 3.77Å; H104-Y109 AromaticContact ND1-CD2 3.41Å; H104-Y109 WeakPolarHBondContact ND1-CD2 3.43Å; Y109-E111 PolarHBondContact O-N 2.71Å; Y109-I114 PolarHBondContact OH-O 2.9Å; Y109-D287 WeakPolarHBondContact CA-OD1 3.5Å; Y109-D287 VanDerWaalsContact CB-OD1 3.26Å; Y109-D287 WeakPolarHBondContact CB-OD1 3.25Å; Y109-D287 PolarHBondContact N-OD1 2.97Å; Y109-Y290 HydrophobicContact CD1-CD1 4.03Å; Y109-Y290 AromaticContact CD1-CD2 3.75Å; Y109-Y290 HydrophobicContact CD1-CD2 3.75Å; Y109-Y290 HydrophobicContact CD1-CE1 4.15Å; Y109-Y290 AromaticContact CD1-CE2 3.88Å; Y109-Y290 HydrophobicContact CD1-CE2 3.88Å; Y109-Y290 AromaticContact CD1-CG 3.82Å; Y109-Y290 HydrophobicContact CD1-CG 3.82Å; Y109-Y290 AromaticContact CD2-CD1 3.62Å; Y109-Y290 HydrophobicContact CD2-CD1 3.62Å; Y109-Y290 HydrophobicContact CD2-CD2 4.42Å; Y109-Y290 HydrophobicContact CD2-CE1 4.33Å; Y109-Y290 AromaticContact CD2-CG 3.67Å; Y109-Y290 HydrophobicContact CD2-CG 3.67Å; Y109-Y290 AromaticContact CE1-CD1 3.7Å; Y109-Y290 HydrophobicContact CE1-CD1 3.7Å; Y109-Y290 AromaticContact CE1-CD2 3.99Å; Y109-Y290 HydrophobicContact CE1-CD2 3.99Å; Y109-Y290 AromaticContact CE1-CE1 3.43Å; Y109-Y290 HydrophobicContact CE1-CE1 3.43Å; Y109-Y290 VanDerWaalsContact CE1-CE1 3.43Å; Y109-Y290 AromaticContact CE1-CE2 3.75Å; Y109-Y290 HydrophobicContact CE1-CE2 3.75Å; Y109-Y290 AromaticContact CE1-CG 3.96Å; Y109-Y290 HydrophobicContact CE1-CG 3.96Å; Y109-Y290 AromaticContact CE1-CZ 3.43Å; Y109-Y290 VanDerWaalsContact CE1-CZ 3.43Å; Y109-Y290 AromaticContact CE2-CD1 3.3Å; Y109-Y290 HydrophobicContact CE2-CD1 3.3Å; Y109-Y290 AromaticContact CE2-CE1 3.69Å; Y109-Y290 HydrophobicContact CE2-CE1 3.69Å; Y109-Y290 AromaticContact CE2-CG 3.87Å; Y109-Y290 HydrophobicContact CE2-CG 3.87Å; Y109-Y290 AromaticContact CG-CD1 3.99Å; Y109-Y290 HydrophobicContact CG-CD1 3.99Å; Y109-Y290 AromaticContact CG-CD2 3.98Å; Y109-Y290 HydrophobicContact CG-CD2 3.98Å; Y109-Y290 AromaticContact CG-CG 3.66Å; Y109-Y290 HydrophobicContact CG-CG 3.66Å; Y109-Y290 AromaticContact CZ-CD1 3.32Å; Y109-Y290 AromaticContact CZ-CE1 3.15Å; Y109-Y290 AromaticContact CZ-CG 3.99Å; Y109-Y290 AromaticContact CZ-CZ 3.71Å; Y109-Y290 WeakPolarHBondContact OH-CE1 3.43Å
110	M	65.6	Low	81.4	Confident	108 Å²	108	50.7 Å²	50.7	53%	0.532	28%	0.277	S	S	.	.			trans	-66.1	106.3	172.9	-68.2	-165.3	-64.9	0	0	108.7	G102 K103 N112	G102-M110 WeakPolarHBondContact O-CE 3.06Å; K103-M110 HydrophobicContact CB-CE 4.41Å; M110-N112 PolarHBondContact O-N 3.2Å
111	E	56.2	Low	81.7	Confident	147 Å²	147	50.4 Å²	50.4	69%	0.687	28%	0.275	S	S	*	.	S	Bend	trans	-61.4	20.3	-161.6	-140.5	176.9	-174.8	0	0	117.5	Y109	Y109-E111 PolarHBondContact O-N 2.71Å
112	N	54.3	Low	82.2	Confident	149 Å²	149	50.8 Å²	50.8	80%	0.797	27%	0.272	S	S	*	.	S	Bend	trans	-129.4	20	-156.4	-79.2	-18.4	0	0	0	118.7	M110	M110-N112 PolarHBondContact O-N 3.2Å
113	T	74.2	Confident	83.3	Confident	76 Å²	76	49.2 Å²	49.2	47%	0.466	26%	0.256	S	S	.	.	S	Bend	trans	-126.5	-44.6	176.1	58.1	0	0	0	0	116.4	P101	P101-T113 PolarHBondContact O-OG1 2.87Å
114	I	86.1	Confident	84.7	Confident	29 Å²	29	44.3 Å²	44.3	15%	0.149	23%	0.234	C	C	.	.			trans	-136	125	-173.4	-52.2	-177.1	0	0	0	110.8	P101 Y109 L119 K122 Y290	P101-I114 VanDerWaalsContact CD-CD1 3.49Å; P101-I114 HydrophobicContact CG-CD1 3.7Å; P101-I114 HydrophobicContact CG-CG1 4.19Å; Y109-I114 PolarHBondContact OH-O 2.9Å; I114-L119 HydrophobicContact CG2-CB 3.98Å; I114-K122 HydrophobicContact CD1-CD 4.47Å; I114-Y290 PolarHBondContact O-OH 3.35Å; I114-Y290 VanDerWaalsContact O-OH 3.1Å
115	P	91.5	Very high	85.4	Confident	65 Å²	65	44.8 Å²	44.8	42%	0.422	24%	0.237	S	C	.	.			trans	-57.6	146.7	170.5	-23.7	33.4	0	0	0	112.3	E117 S118 L119 I255	P115-E117 PolarHBondContact O-N 2.85Å; P115-E117 VanDerWaalsContact O-N 3.14Å; P115-S118 WeakPolarHBondContact O-CB 3.32Å; P115-S118 PolarHBondContact O-N 3.4Å; P115-L119 PolarHBondContact O-N 3.34Å; P115-I255 HydrophobicContact CB-CG2 4.48Å
116	L	93.7	Very high	86.1	Confident	21 Å²	21	43.1 Å²	43.1	11%	0.11	24%	0.235	C	C	.	.	H	α-helix	trans	-51	-44.8	-177.3	174.6	62.8	0	0	0	111.6	L119 V120 F251 L281 V289 Y290 L293	L116-L119 PolarHBondContact O-N 3.19Å; L116-V120 HydrophobicContact CD1-CG2 4.11Å; L116-V120 HydrophobicContact CG-CG2 4.46Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 3.02Å; L116-F251 HydrophobicContact CD2-CD2 4.32Å; L116-F251 HydrophobicContact CG-CE2 4.37Å; L116-L281 HydrophobicContact CD2-CD1 4.29Å; L116-L281 HydrophobicContact CD2-CD2 4.32Å; L116-V289 HydrophobicContact CD1-CG1 3.79Å; L116-V289 HydrophobicContact CD2-CG1 4.25Å; L116-Y290 WeakPolarHBondContact CA-OH 3.41Å; L116-Y290 PolarHBondContact N-OH 2.73Å; L116-Y290 VanDerWaalsContact N-OH 3.11Å; L116-L293 HydrophobicContact CD1-CD1 3.57Å
117	E	95.8	Very high	86.4	Confident	22 Å²	22	42.7 Å²	42.7	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-66.6	-41	-177.3	-57.4	92.6	161.8	0	0	112	P115 L119 V120 A121 F251 N252 I255 F256	P115-E117 PolarHBondContact O-N 2.85Å; P115-E117 VanDerWaalsContact O-N 3.14Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-V120 PolarHBondContact O-N 3.05Å; E117-A121 WeakPolarHBondContact O-CB 3.35Å; E117-A121 PolarHBondContact O-N 3.38Å; E117-F251 HydrophobicContact CB-CE1 4.21Å; E117-F251 HydrophobicContact CB-CE2 4.26Å; E117-F251 HydrophobicContact CB-CZ 3.96Å; E117-F251 HydrophobicContact CG-CD1 3.88Å; E117-F251 HydrophobicContact CG-CD2 3.78Å; E117-F251 HydrophobicContact CG-CE1 3.82Å; E117-F251 HydrophobicContact CG-CE2 3.71Å; E117-F251 HydrophobicContact CG-CG 3.87Å; E117-F251 HydrophobicContact CG-CZ 3.74Å; E117-N252 HydrophobicContact CG-CB 4.22Å; E117-N252 WeakPolarHBondContact CG-O 3.46Å; E117-N252 WeakPolarHBondContact OE1-CB 3.47Å; E117-N252 PolarHBondContact OE1-N 3.17Å; E117-I255 HydrophobicContact CB-CB 4.12Å; E117-I255 HydrophobicContact CB-CG2 3.93Å; E117-F256 HydrophobicContact CB-CB 4.08Å; E117-F256 WeakPolarHBondContact O-CD2 3.27Å
118	S	95.4	Very high	86.8	Confident	18 Å²	18	42.5 Å²	42.5	13%	0.126	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-38.3	174.3	-72.7	0	0	0	0	111.4	P115 K122 I255	P115-S118 WeakPolarHBondContact O-CB 3.32Å; P115-S118 PolarHBondContact O-N 3.4Å; S118-K122 WeakPolarHBondContact O-CB 3.3Å; S118-K122 PolarHBondContact O-N 3.11Å; S118-I255 VanDerWaalsContact OG-CG2 3.23Å; S118-I255 WeakPolarHBondContact OG-CG2 3.36Å
119	L	94.7	Very high	87.3	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-46	176.9	177.7	63	0	0	0	111.4	F100 I114 P115 L116 E117 A121 K122 L123 Y290 L293	F100-L119 HydrophobicContact CD1-CD1 4.4Å; F100-L119 HydrophobicContact CD1-CD2 4Å; F100-L119 HydrophobicContact CE1-CD1 4.14Å; F100-L119 HydrophobicContact CE1-CD2 3.41Å; F100-L119 VanDerWaalsContact CE1-CD2 3.41Å; F100-L119 HydrophobicContact CE1-CG 4.34Å; F100-L119 HydrophobicContact CZ-CD1 4.18Å; F100-L119 HydrophobicContact CZ-CD2 3.99Å; I114-L119 HydrophobicContact CG2-CB 3.98Å; P115-L119 PolarHBondContact O-N 3.34Å; L116-L119 PolarHBondContact O-N 3.19Å; E117-L119 VanDerWaalsContact C-N 3.33Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.56Å; L119-K122 PolarHBondContact O-N 2.92Å; L119-K122 VanDerWaalsContact O-N 3.17Å; L119-L123 HydrophobicContact CD1-CD1 4.49Å; L119-L123 HydrophobicContact CD1-CG 4.19Å; L119-L123 HydrophobicContact CG-CD1 4.25Å; L119-L123 HydrophobicContact CG-CG 4.39Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.49Å; L119-Y290 HydrophobicContact CD2-CD1 3.47Å; L119-Y290 VanDerWaalsContact CD2-CD1 3.47Å; L119-Y290 HydrophobicContact CD2-CE1 3.44Å; L119-Y290 VanDerWaalsContact CD2-CE1 3.44Å; L119-L293 HydrophobicContact CD2-CB 4.5Å; L119-L293 HydrophobicContact CD2-CD1 3.67Å; L119-L293 HydrophobicContact CG-CD1 4.15Å
120	V	96.6	Very high	88.2	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-42.1	177.9	175.1	0	0	0	0	110.9	L116 E117 W124 I132 I133 F251 F256 L293	L116-V120 HydrophobicContact CD1-CG2 4.11Å; L116-V120 HydrophobicContact CG-CG2 4.46Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.42Å; L116-V120 PolarHBondContact O-N 3.02Å; E117-V120 PolarHBondContact O-N 3.05Å; V120-W124 PolarHBondContact O-N 2.92Å; V120-I132 HydrophobicContact CG1-CG1 4.32Å; V120-I132 HydrophobicContact CG2-CD1 3.99Å; V120-I132 HydrophobicContact CG2-CG1 4.07Å; V120-I133 HydrophobicContact CG1-CG2 3.57Å; V120-F251 HydrophobicContact CB-CE2 4.48Å; V120-F251 HydrophobicContact CB-CZ 4.36Å; V120-F251 HydrophobicContact CG1-CZ 4.43Å; V120-F251 HydrophobicContact CG2-CE2 4.29Å; V120-F256 HydrophobicContact CB-CE2 4.42Å; V120-F256 HydrophobicContact CG1-CD2 4.4Å; V120-F256 HydrophobicContact CG1-CE2 3.92Å; V120-L293 HydrophobicContact CG2-CD1 3.83Å; V120-L293 HydrophobicContact CG2-CD2 4.26Å
121	A	97.2	Very high	89.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-44	173.5	0	0	0	0	0	112.2	E117 L119 W124 L125 F256 K259 F260	E117-A121 WeakPolarHBondContact O-CB 3.35Å; E117-A121 PolarHBondContact O-N 3.38Å; L119-A121 VanDerWaalsContact C-N 3.33Å; L119-A121 PolarHBondContact O-N 2.56Å; A121-W124 PolarHBondContact O-N 2.94Å; A121-L125 WeakPolarHBondContact O-CB 3.25Å; A121-L125 PolarHBondContact O-N 3.42Å; A121-F256 HydrophobicContact CB-CD2 3.66Å; A121-F256 HydrophobicContact CB-CE2 3.78Å; A121-F256 HydrophobicContact CB-CG 4.46Å; A121-K259 HydrophobicContact CB-CB 3.88Å; A121-K259 HydrophobicContact CB-CG 3.89Å; A121-F260 HydrophobicContact CB-CE2 4.03Å
122	K	95.5	Very high	91.5	Very high	55 Å²	55	26.8 Å²	26.8	24%	0.239	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-40.7	179.1	-176.3	-178.5	178.9	-173.7	0	112.5	R98 A99 I114 S118 L119 W124 S126 F127	R98-K122 WeakPolarHBondContact O-CE 3.27Å; R98-K122 PolarHBondContact O-NZ 2.91Å; A99-K122 PolarHBondContact O-NZ 3.33Å; I114-K122 HydrophobicContact CD1-CD 4.47Å; S118-K122 WeakPolarHBondContact O-CB 3.3Å; S118-K122 PolarHBondContact O-N 3.11Å; L119-K122 PolarHBondContact O-N 2.92Å; L119-K122 VanDerWaalsContact O-N 3.17Å; K122-W124 PolarHBondContact O-N 3.31Å; K122-S126 VanDerWaalsContact O-CB 3.32Å; K122-S126 WeakPolarHBondContact O-CB 3.33Å; K122-S126 PolarHBondContact O-N 3.47Å; K122-F127 HydrophobicContact CG-CE2 4.09Å
123	L	96.1	Very high	93.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-55.5	-40.3	175.2	-74.7	175.3	0	0	0	111.6	F100 L119 F127 G128 V129 L293 L297	F100-L123 HydrophobicContact CE2-CD2 4.35Å; L119-L123 HydrophobicContact CD1-CD1 4.49Å; L119-L123 HydrophobicContact CD1-CG 4.19Å; L119-L123 HydrophobicContact CG-CD1 4.25Å; L119-L123 HydrophobicContact CG-CG 4.39Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.49Å; L123-F127 HydrophobicContact CD2-CD2 4.26Å; L123-F127 CarbonylContact O-C 3.53Å; L123-F127 WeakPolarHBondContact O-CA 3.24Å; L123-F127 WeakPolarHBondContact O-CB 3.5Å; L123-F127 PolarHBondContact O-N 2.92Å; L123-G128 PolarHBondContact O-N 3.42Å; L123-G128 VanDerWaalsContact O-N 3.11Å; L123-V129 CarbonylContact C-O 3.31Å; L123-V129 HydrophobicContact CB-CB 4.37Å; L123-V129 PolarHBondContact O-N 3.46Å; L123-L293 HydrophobicContact CD1-CB 3.92Å; L123-L293 HydrophobicContact CD1-CD1 4.29Å; L123-L293 HydrophobicContact CD1-CD2 4.07Å; L123-L293 HydrophobicContact CD1-CG 4.32Å; L123-L297 HydrophobicContact CD2-CB 4.21Å; L123-L297 HydrophobicContact CD2-CD1 4.39Å; L123-L297 HydrophobicContact CD2-CD2 4Å; L123-L297 HydrophobicContact CD2-CG 4.45Å
124	W	95.8	Very high	94.6	Very high	10 Å²	10	16.8 Å²	16.8	4%	0.038	10%	0.1	C	C	.	.	H	α-helix	trans	-77.2	-57.8	175.3	-175.7	77.2	0	0	0	113	V120 A121 K122 S126 G128 V129 P135 F260 T456 Q459 N460	V120-W124 PolarHBondContact O-N 2.92Å; A121-W124 PolarHBondContact O-N 2.94Å; K122-W124 PolarHBondContact O-N 3.31Å; W124-S126 PolarHBondContact O-N 3.31Å; W124-G128 WeakPolarHBondContact O-CA 3.35Å; W124-G128 PolarHBondContact O-N 2.88Å; W124-V129 PolarHBondContact N-O 2.9Å; W124-P135 HydrophobicContact CB-CG 3.9Å; W124-P135 HydrophobicContact CD2-CB 4.16Å; W124-P135 HydrophobicContact CD2-CG 3.43Å; W124-P135 VanDerWaalsContact CD2-CG 3.43Å; W124-P135 HydrophobicContact CE3-CB 4.32Å; W124-P135 HydrophobicContact CE3-CG 3.89Å; W124-P135 HydrophobicContact CG-CG 3.39Å; W124-P135 HydrophobicContact CZ2-CB 4.5Å; W124-P135 HydrophobicContact CZ2-CG 4.49Å; W124-P135 PolarHBondContact NE1-O 2.88Å; W124-F260 HydrophobicContact CE3-CD1 4.44Å; W124-F260 AromaticContact CE3-CE1 3.46Å; W124-F260 HydrophobicContact CE3-CE1 3.46Å; W124-F260 VanDerWaalsContact CE3-CE1 3.46Å; W124-F260 AromaticContact CE3-CZ 3.74Å; W124-F260 HydrophobicContact CE3-CZ 3.74Å; W124-F260 HydrophobicContact CH2-CE1 4.03Å; W124-F260 AromaticContact CZ3-CD1 3.8Å; W124-F260 HydrophobicContact CZ3-CD1 3.8Å; W124-F260 AromaticContact CZ3-CE1 3.14Å; W124-F260 HydrophobicContact CZ3-CE1 3.14Å; W124-F260 AromaticContact CZ3-CZ 3.92Å; W124-F260 HydrophobicContact CZ3-CZ 3.92Å; W124-T456 HydrophobicContact CD2-CG2 4.33Å; W124-T456 HydrophobicContact CZ2-CG2 4.35Å; W124-T456 WeakPolarHBondContact O-CB 3.49Å; W124-T456 WeakPolarHBondContact O-CG2 3.48Å; W124-T456 PolarHBondContact O-OG1 2.97Å; W124-Q459 HydrophobicContact CH2-CB 4.45Å; W124-Q459 HydrophobicContact CZ2-CB 4.49Å; W124-N460 HydrophobicContact CH2-CB 4.46Å; W124-N460 HydrophobicContact CZ3-CB 4.37Å
125	L	95.3	Very high	95.1	Very high	18 Å²	18	15.6 Å²	15.6	9%	0.094	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-36.1	-173.4	-75	167.4	0	0	0	113.8	A121 K259 F260 T456 N460	A121-L125 WeakPolarHBondContact O-CB 3.25Å; A121-L125 PolarHBondContact O-N 3.42Å; L125-K259 HydrophobicContact CD1-CB 3.67Å; L125-K259 WeakPolarHBondContact CD1-O 3.38Å; L125-F260 HydrophobicContact CD1-CD2 4.48Å; L125-F260 HydrophobicContact CD1-CE2 4.46Å; L125-T456 PolarHBondContact O-OG1 2.64Å; L125-N460 HydrophobicContact CD2-CB 3.9Å
126	S	94.6	Very high	95.2	Very high	41 Å²	41	15.9 Å²	15.9	29%	0.287	9%	0.087	S	C	.	.	H	α-helix	trans	-102.7	-22	-175.2	-56.2	0	0	0	0	113	K122 W124 T453	K122-S126 VanDerWaalsContact O-CB 3.32Å; K122-S126 WeakPolarHBondContact O-CB 3.33Å; K122-S126 PolarHBondContact O-N 3.47Å; W124-S126 PolarHBondContact O-N 3.31Å; S126-T453 PolarHBondContact O-OG1 3.39Å
127	F	94.4	Very high	95.2	Very high	7 Å²	7	15.9 Å²	15.9	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-129.3	-3.2	-172.9	-52.5	-65.8	0	0	0	114.5	L95 R98 A99 K122 L123 V129 L297 R301 T449	L95-F127 HydrophobicContact CD1-CD1 3.46Å; L95-F127 VanDerWaalsContact CD1-CD1 3.46Å; L95-F127 HydrophobicContact CD1-CE1 3.4Å; L95-F127 VanDerWaalsContact CD1-CE1 3.4Å; L95-F127 HydrophobicContact CD1-CZ 4.45Å; L95-F127 HydrophobicContact CG-CD1 4.42Å; L95-F127 HydrophobicContact CG-CE1 4.37Å; R98-F127 HydrophobicContact CB-CZ 4.16Å; A99-F127 HydrophobicContact CB-CD2 4.24Å; A99-F127 HydrophobicContact CB-CE2 3.56Å; A99-F127 HydrophobicContact CB-CZ 3.89Å; K122-F127 HydrophobicContact CG-CE2 4.09Å; L123-F127 HydrophobicContact CD2-CD2 4.26Å; L123-F127 CarbonylContact O-C 3.53Å; L123-F127 WeakPolarHBondContact O-CA 3.24Å; L123-F127 WeakPolarHBondContact O-CB 3.5Å; L123-F127 PolarHBondContact O-N 2.92Å; F127-V129 VanDerWaalsContact C-N 3.25Å; F127-V129 HydrophobicContact CB-CG2 4.26Å; F127-V129 PolarHBondContact O-N 3.44Å; F127-L297 HydrophobicContact CB-CD1 3.94Å; F127-L297 HydrophobicContact CG-CD1 4.28Å; F127-R301 PolarHBondContact O-NH2 3.46Å; F127-T449 HydrophobicContact CD1-CG2 4.06Å; F127-T449 HydrophobicContact CE1-CG2 4.48Å
128	G	93.1	Very high	95	Very high	20 Å²	20	16.3 Å²	16.3	21%	0.206	9%	0.094	C	C	.	.			trans	67.7	21.8	179.4	0	0	0	0	0	114.4	L123 W124	L123-G128 PolarHBondContact O-N 3.42Å; L123-G128 VanDerWaalsContact O-N 3.11Å; W124-G128 WeakPolarHBondContact O-CA 3.35Å; W124-G128 PolarHBondContact O-N 2.88Å
129	V	93.8	Very high	94.9	Very high	6 Å²	6	15.6 Å²	15.6	4%	0.036	9%	0.089	C	C	.	.			trans	-106.2	112	-175.6	-178.1	0	0	0	0	110.7	L123 W124 F127 R296 L297 S300	L123-V129 CarbonylContact C-O 3.31Å; L123-V129 HydrophobicContact CB-CB 4.37Å; L123-V129 PolarHBondContact O-N 3.46Å; W124-V129 PolarHBondContact N-O 2.9Å; F127-V129 VanDerWaalsContact C-N 3.25Å; F127-V129 HydrophobicContact CB-CG2 4.26Å; F127-V129 PolarHBondContact O-N 3.44Å; V129-R296 HydrophobicContact CG1-CB 4.09Å; V129-L297 HydrophobicContact CG2-CD1 3.77Å; V129-S300 VanDerWaalsContact CG2-OG 3.23Å; V129-S300 WeakPolarHBondContact CG2-OG 3.33Å
130	S	93	Very high	94.9	Very high	21 Å²	21	15.7 Å²	15.7	15%	0.147	9%	0.09	C	C	.	.			trans	-83.4	143.1	165.6	-56.4	0	0	0	0	110.7	R296	S130-R296 PolarHBondContact O-NH2 3.27Å
131	S	94	Very high	94.6	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.007	9%	0.092	C	C	.	.			trans	-132.8	-109.6	-174.3	61	0	0	0	0	111.4	I133 A154 L293	S131-I133 PolarHBondContact N-O 3.28Å; S131-I133 PolarHBondContact O-N 3.36Å; S131-A154 WeakPolarHBondContact O-CA 3.17Å; S131-A154 VanDerWaalsContact O-CB 3.27Å; S131-A154 WeakPolarHBondContact O-CB 3.15Å; S131-L293 WeakPolarHBondContact OG-CD2 3.36Å
132	I	96.8	Very high	94.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-74	-15.1	179.3	64.4	175.1	0	0	0	112.7	V120 F215 L219 F251 Y273 M277 L281 Y292 L293	V120-I132 HydrophobicContact CG1-CG1 4.32Å; V120-I132 HydrophobicContact CG2-CD1 3.99Å; V120-I132 HydrophobicContact CG2-CG1 4.07Å; I132-F215 HydrophobicContact CG2-CE1 4.25Å; I132-F215 HydrophobicContact CG2-CZ 4.33Å; I132-L219 HydrophobicContact CG2-CD1 4.21Å; I132-L219 HydrophobicContact CG2-CD2 4.4Å; I132-F251 HydrophobicContact CD1-CD2 4.4Å; I132-F251 HydrophobicContact CD1-CE2 4.07Å; I132-Y273 PolarHBondContact O-OH 3.2Å; I132-M277 HydrophobicContact CB-SD 4.4Å; I132-M277 HydrophobicContact CD1-SD 4.45Å; I132-M277 HydrophobicContact CG1-SD 4.4Å; I132-L281 HydrophobicContact CD1-CD1 4.12Å; I132-L281 HydrophobicContact CD1-CD2 4.21Å; I132-Y292 HydrophobicContact CG2-CD1 4.12Å; I132-Y292 HydrophobicContact CG2-CE1 3.84Å; I132-L293 HydrophobicContact CG2-CD2 4.46Å
133	I	96.6	Very high	94	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.111	C	C	.	.	S	Bend	trans	-139.4	144	172.7	-160.6	78.3	0	0	0	107.9	V120 S131 P135 L151 D152 W253 F256 Y273 I274 M277	V120-I133 HydrophobicContact CG1-CG2 3.57Å; S131-I133 PolarHBondContact N-O 3.28Å; S131-I133 PolarHBondContact O-N 3.36Å; I133-P135 VanDerWaalsContact O-CD 3.31Å; I133-P135 WeakPolarHBondContact O-CD 3.44Å; I133-L151 HydrophobicContact CG1-CB 4.46Å; I133-D152 WeakPolarHBondContact CD1-O 3.29Å; I133-W253 HydrophobicContact CD1-CH2 3.76Å; I133-W253 HydrophobicContact CG1-CH2 3.98Å; I133-W253 HydrophobicContact CG1-CZ3 4.43Å; I133-F256 HydrophobicContact CG2-CE2 4.1Å; I133-F256 HydrophobicContact CG2-CZ 4.03Å; I133-Y273 HydrophobicContact CD1-CE1 4.18Å; I133-I274 HydrophobicContact CD1-CD1 3.35Å; I133-M277 HydrophobicContact CD1-SD 4.47Å
134	T	96.2	Very high	93.8	Very high	14 Å²	14	20.8 Å²	20.8	9%	0.086	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	97	179.1	-57.2	0	0	0	0	109.7	D152 Q153 I155	T134-D152 PolarHBondContact N-O 2.88Å; T134-D152 PolarHBondContact O-N 3.47Å; T134-Q153 WeakPolarHBondContact CB-O 3.28Å; T134-Q153 PolarHBondContact OG1-O 2.86Å; T134-I155 HydrophobicContact CG2-CD1 3.66Å; T134-I155 HydrophobicContact CG2-CG1 4.24Å; T134-I155 WeakPolarHBondContact OG1-CG1 3.33Å
135	P	96.4	Very high	93.6	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.019	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.8	170.7	32.1	-33.1	0	0	0	111.1	W124 I133 L149 V150 L151 F256 F260	W124-P135 HydrophobicContact CB-CG 3.9Å; W124-P135 HydrophobicContact CD2-CB 4.16Å; W124-P135 HydrophobicContact CD2-CG 3.43Å; W124-P135 VanDerWaalsContact CD2-CG 3.43Å; W124-P135 HydrophobicContact CE3-CB 4.32Å; W124-P135 HydrophobicContact CE3-CG 3.89Å; W124-P135 HydrophobicContact CG-CG 3.39Å; W124-P135 HydrophobicContact CZ2-CB 4.5Å; W124-P135 HydrophobicContact CZ2-CG 4.49Å; W124-P135 PolarHBondContact NE1-O 2.88Å; I133-P135 VanDerWaalsContact O-CD 3.31Å; I133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-L149 HydrophobicContact CB-CD1 4.18Å; P135-V150 WeakPolarHBondContact CA-O 3.48Å; P135-L151 HydrophobicContact CB-CD2 4.03Å; P135-F256 HydrophobicContact CB-CZ 4.42Å; P135-F256 HydrophobicContact CG-CZ 4.35Å; P135-F260 HydrophobicContact CB-CE1 4.1Å; P135-F260 HydrophobicContact CB-CZ 4.12Å; P135-F260 HydrophobicContact CG-CZ 4.34Å
136	Y	94.5	Very high	93.6	Very high	71 Å²	71	25.6 Å²	25.6	28%	0.278	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.2	166.9	62.8	-86.7	0	0	0	110.1	V150 D152	Y136-V150 HydrophobicContact CD1-CB 4.22Å; Y136-V150 HydrophobicContact CD1-CG1 4.49Å; Y136-V150 HydrophobicContact CD2-CB 4.02Å; Y136-V150 HydrophobicContact CD2-CG2 4.29Å; Y136-V150 HydrophobicContact CE1-CB 3.87Å; Y136-V150 HydrophobicContact CE1-CG1 3.69Å; Y136-V150 HydrophobicContact CE2-CB 3.62Å; Y136-V150 HydrophobicContact CE2-CG1 3.92Å; Y136-V150 HydrophobicContact CE2-CG2 3.8Å; Y136-V150 HydrophobicContact CG-CB 4.31Å; Y136-V150 PolarHBondContact N-O 2.94Å; Y136-V150 PolarHBondContact O-N 3.33Å; Y136-V150 VanDerWaalsContact OH-CG1 3.3Å; Y136-V150 WeakPolarHBondContact OH-CG1 3.36Å; Y136-D152 HydrophobicContact CE1-CB 4.09Å
137	V	93.8	Very high	93.6	Very high	22 Å²	22	24.4 Å²	24.4	13%	0.133	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.4	178.3	-179.4	0	0	0	0	109.4	N147 L149 Q459 Q462 I463	V137-N147 HydrophobicContact CG1-CB 3.88Å; V137-L149 HydrophobicContact CG2-CD1 4.18Å; V137-Q459 HydrophobicContact CB-CB 4.22Å; V137-Q459 WeakPolarHBondContact CB-O 3.3Å; V137-Q459 HydrophobicContact CG2-CB 4.27Å; V137-Q459 VanDerWaalsContact CG2-O 3.31Å; V137-Q459 WeakPolarHBondContact CG2-O 3.43Å; V137-Q462 HydrophobicContact CG1-CB 3.94Å; V137-I463 HydrophobicContact CG1-CG1 4.12Å; V137-I463 HydrophobicContact CG2-CD1 4.09Å; V137-I463 HydrophobicContact CG2-CG1 3.62Å
138	S	91.9	Very high	93.7	Very high	31 Å²	31	24.6 Å²	24.6	22%	0.217	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	173.3	177.8	69.3	0	0	0	0	110.6	D140 N147 I148 V150	S138-D140 PolarHBondContact O-N 2.95Å; S138-N147 CarbonylContact O-C 3.56Å; S138-N147 WeakPolarHBondContact O-CA 3.22Å; S138-N147 PolarHBondContact O-OD1 2.96Å; S138-I148 PolarHBondContact N-O 3.44Å; S138-I148 PolarHBondContact O-N 3.39Å; S138-V150 WeakPolarHBondContact OG-CG2 3.42Å
139	A	92.5	Very high	93.9	Very high	3 Å²	3	23.7 Å²	23.7	3%	0.025	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	138.3	166.9	0	0	0	0	0	110.4	E141 N147 C467	A139-E141 PolarHBondContact O-N 3.18Å; A139-N147 PolarHBondContact N-OD1 2.92Å; A139-C467 HydrophobicContact CB-CB 4.23Å
140	D	94	Very high	94.1	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	116.9	169.1	178.7	-25.5	0	0	0	107.8	S138 R142 N143 A144 T146 I148 Y236 K238	S138-D140 PolarHBondContact O-N 2.95Å; D140-R142 PolarHBondContact O-N 2.92Å; D140-R142 VanDerWaalsContact O-N 3.12Å; D140-R142 PolarHBondContact OD1-N 3.23Å; D140-N143 HydrophobicContact CB-CB 4.37Å; D140-N143 CarbonylContact O-C 3.53Å; D140-N143 PolarHBondContact O-N 3.29Å; D140-N143 PolarHBondContact OD1-N 2.78Å; D140-A144 WeakPolarHBondContact O-CA 3.08Å; D140-A144 PolarHBondContact O-N 2.8Å; D140-A144 VanDerWaalsContact O-N 3.08Å; D140-T146 PolarHBondContact N-O 2.82Å; D140-I148 HydrophobicContact CB-CB 4.11Å; D140-I148 HydrophobicContact CB-CG2 3.88Å; D140-Y236 WeakPolarHBondContact OD1-CE2 3.16Å; D140-Y236 PolarHBondContact OD1-OH 2.89Å; D140-K238 IonicContact OD2-NZ 2.71Å; D140-K238 PolarHBondContact OD2-NZ 3.12Å
141	E	90.7	Very high	94.3	Very high	16 Å²	16	22.4 Å²	22.4	8%	0.075	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.3	-172.1	-54.6	-159.6	178.2	0	0	112.7	A139 H232 Y236 Y534 N539 L540	A139-E141 PolarHBondContact O-N 3.18Å; E141-H232 IonicContact OE1-ND1 3.84Å; E141-H232 IonicContact OE2-ND1 3.48Å; E141-Y236 HydrophobicContact CB-CD2 3.68Å; E141-Y236 HydrophobicContact CB-CE2 4Å; E141-Y236 HydrophobicContact CG-CD2 4.13Å; E141-Y534 HydrophobicContact CB-CE1 4.23Å; E141-Y534 PolarHBondContact OE1-OH 2.89Å; E141-Y534 PolarHBondContact OE2-OH 2.67Å; E141-N539 CarbonylContact O-C 3.46Å; E141-N539 WeakPolarHBondContact O-CA 3.27Å; E141-L540 HydrophobicContact CB-CB 3.97Å; E141-L540 HydrophobicContact CB-CD2 4.18Å; E141-L540 VanDerWaalsContact O-CB 3.27Å; E141-L540 WeakPolarHBondContact O-CB 2.98Å; E141-L540 PolarHBondContact O-N 3.38Å
142	R	90.3	Very high	94.4	Very high	78 Å²	78	23.6 Å²	23.6	29%	0.294	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.6	174.4	-66.1	-169.2	-170.9	175.8	3.4	113.8	D140 Y236 L540 V542 F559	D140-R142 PolarHBondContact O-N 2.92Å; D140-R142 VanDerWaalsContact O-N 3.12Å; D140-R142 PolarHBondContact OD1-N 3.23Å; R142-Y236 HydrophobicContact CB-CE1 4.24Å; R142-Y236 HydrophobicContact CB-CE2 4.38Å; R142-Y236 HydrophobicContact CG-CD1 3.96Å; R142-Y236 HydrophobicContact CG-CD2 4.47Å; R142-Y236 HydrophobicContact CG-CE1 3.54Å; R142-Y236 HydrophobicContact CG-CE2 4.06Å; R142-Y236 HydrophobicContact CG-CG 4.39Å; R142-L540 HydrophobicContact CG-CB 4.45Å; R142-V542 VanDerWaalsContact NE-CG2 3.26Å; R142-F559 HydrophobicContact CB-CE1 4.36Å; R142-F559 WeakPolarHBondContact O-CE1 3.47Å
143	N	91.1	Very high	94.4	Very high	63 Å²	63	24.3 Å²	24.3	34%	0.337	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	78.3	171.3	-178.9	19.5	0	0	0	109.9	D140 T145 T146	D140-N143 HydrophobicContact CB-CB 4.37Å; D140-N143 CarbonylContact O-C 3.53Å; D140-N143 PolarHBondContact O-N 3.29Å; D140-N143 PolarHBondContact OD1-N 2.78Å; N143-T145 PolarHBondContact O-N 3.05Å; N143-T145 PolarHBondContact OD1-OG1 3.13Å; N143-T146 PolarHBondContact ND2-OG1 3.26Å; N143-T146 VanDerWaalsContact ND2-OG1 3.14Å; N143-T146 PolarHBondContact O-N 3.31Å; N143-T146 VanDerWaalsContact O-N 3.1Å; N143-T146 PolarHBondContact O-OG1 3.48Å
144	A	91.2	Very high	94.4	Very high	7 Å²	7	24.5 Å²	24.5	6%	0.058	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	-8.3	-173.7	0	0	0	0	0	114.3	D140 T146 C467 S486 G538 N539	D140-A144 WeakPolarHBondContact O-CA 3.08Å; D140-A144 PolarHBondContact O-N 2.8Å; D140-A144 VanDerWaalsContact O-N 3.08Å; A144-T146 VanDerWaalsContact C-N 3.31Å; A144-C467 VanDerWaalsContact O-CB 3.29Å; A144-C467 WeakPolarHBondContact O-CB 3.5Å; A144-S486 VanDerWaalsContact CB-O 3.31Å; A144-S486 WeakPolarHBondContact CB-O 3.46Å; A144-G538 WeakPolarHBondContact CB-O 3.48Å; A144-N539 WeakPolarHBondContact CB-OD1 3.21Å; A144-N539 PolarHBondContact N-OD1 2.88Å
145	T	92.2	Very high	94.3	Very high	87 Å²	87	26.5 Å²	26.5	53%	0.534	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-16.1	176.8	69.4	0	0	0	0	113.7	N143 P466 C467	N143-T145 PolarHBondContact O-N 3.05Å; N143-T145 PolarHBondContact OD1-OG1 3.13Å; T145-P466 CarbonylContact O-C 3.54Å; T145-P466 WeakPolarHBondContact O-CA 3.25Å; T145-C467 PolarHBondContact O-N 2.6Å
146	T	94.7	Very high	94.1	Very high	42 Å²	42	26.4 Å²	26.4	26%	0.258	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.4	-175.3	48.8	0	0	0	0	111.7	D140 N143 A144	D140-T146 PolarHBondContact N-O 2.82Å; N143-T146 PolarHBondContact ND2-OG1 3.26Å; N143-T146 VanDerWaalsContact ND2-OG1 3.14Å; N143-T146 PolarHBondContact O-N 3.31Å; N143-T146 VanDerWaalsContact O-N 3.1Å; N143-T146 PolarHBondContact O-OG1 3.48Å; A144-T146 VanDerWaalsContact C-N 3.31Å
147	N	94.7	Very high	94	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	145.4	172.8	-66.3	-66.2	0	0	0	112.3	V137 S138 A139 Q462 G464 K465 P466	V137-N147 HydrophobicContact CG1-CB 3.88Å; S138-N147 CarbonylContact O-C 3.56Å; S138-N147 WeakPolarHBondContact O-CA 3.22Å; S138-N147 PolarHBondContact O-OD1 2.96Å; A139-N147 PolarHBondContact N-OD1 2.92Å; N147-Q462 HydrophobicContact CB-CB 4.43Å; N147-Q462 VanDerWaalsContact CB-O 3.3Å; N147-Q462 WeakPolarHBondContact CB-O 3.46Å; N147-G464 PolarHBondContact O-N 2.83Å; N147-K465 PolarHBondContact N-O 3.4Å; N147-K465 PolarHBondContact ND2-O 3.03Å; N147-P466 PolarHBondContact ND2-O 3.4Å
148	I	96.3	Very high	94	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.056	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.6	177.8	-165.4	170.1	0	0	0	110.3	S138 D140 V150 K238 N267	S138-I148 PolarHBondContact N-O 3.44Å; S138-I148 PolarHBondContact O-N 3.39Å; D140-I148 HydrophobicContact CB-CB 4.11Å; D140-I148 HydrophobicContact CB-CG2 3.88Å; I148-V150 HydrophobicContact CG2-CG2 4.1Å; I148-K238 HydrophobicContact CD1-CD 4.1Å; I148-K238 HydrophobicContact CD1-CG 4.23Å; I148-N267 HydrophobicContact CD1-CB 4.37Å; I148-N267 HydrophobicContact CG2-CB 4.37Å
149	L	97.7	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.1	167.1	-179.9	65.5	0	0	0	109.5	P135 V137 L151 L257 F260 L263 V266 N267 I463	P135-L149 HydrophobicContact CB-CD1 4.18Å; V137-L149 HydrophobicContact CG2-CD1 4.18Å; L149-L151 HydrophobicContact CD2-CD2 4.33Å; L149-L151 HydrophobicContact CG-CD2 4.31Å; L149-L257 HydrophobicContact CD2-CD2 3.59Å; L149-F260 HydrophobicContact CD1-CD1 3.96Å; L149-F260 HydrophobicContact CD1-CE1 3.79Å; L149-F260 HydrophobicContact CD2-CD1 3.8Å; L149-F260 HydrophobicContact CD2-CE1 4.02Å; L149-F260 HydrophobicContact CD2-CG 4.19Å; L149-L263 HydrophobicContact CB-CD2 4.25Å; L149-L263 HydrophobicContact CD2-CD2 3.7Å; L149-V266 HydrophobicContact CB-CG1 4.32Å; L149-V266 HydrophobicContact CD2-CG1 4.07Å; L149-V266 HydrophobicContact CG-CG1 4.42Å; L149-V266 WeakPolarHBondContact O-CA 3.27Å; L149-N267 PolarHBondContact O-N 3.44Å; L149-I463 HydrophobicContact CB-CD1 4.04Å; L149-I463 HydrophobicContact CB-CG1 4.39Å; L149-I463 HydrophobicContact CD1-CD1 4.39Å
150	V	97.3	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.6	176.4	-170.6	0	0	0	0	109.6	P135 Y136 S138 I148 N267 I269	P135-V150 WeakPolarHBondContact CA-O 3.48Å; Y136-V150 HydrophobicContact CD1-CB 4.22Å; Y136-V150 HydrophobicContact CD1-CG1 4.49Å; Y136-V150 HydrophobicContact CD2-CB 4.02Å; Y136-V150 HydrophobicContact CD2-CG2 4.29Å; Y136-V150 HydrophobicContact CE1-CB 3.87Å; Y136-V150 HydrophobicContact CE1-CG1 3.69Å; Y136-V150 HydrophobicContact CE2-CB 3.62Å; Y136-V150 HydrophobicContact CE2-CG1 3.92Å; Y136-V150 HydrophobicContact CE2-CG2 3.8Å; Y136-V150 HydrophobicContact CG-CB 4.31Å; Y136-V150 PolarHBondContact N-O 2.94Å; Y136-V150 PolarHBondContact O-N 3.33Å; Y136-V150 VanDerWaalsContact OH-CG1 3.3Å; Y136-V150 WeakPolarHBondContact OH-CG1 3.36Å; S138-V150 WeakPolarHBondContact OG-CG2 3.42Å; I148-V150 HydrophobicContact CG2-CG2 4.1Å; V150-N267 CarbonylContact C-O 3.33Å; V150-N267 VanDerWaalsContact CA-O 3.3Å; V150-N267 WeakPolarHBondContact CA-O 3.29Å; V150-N267 HydrophobicContact CG1-CB 4.35Å; V150-N267 HydrophobicContact CG2-CB 4.23Å; V150-I269 HydrophobicContact CG1-CD1 3.57Å; V150-I269 HydrophobicContact CG1-CG1 3.6Å
151	L	97.8	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.8	176.8	-57.3	176.9	0	0	0	109.4	I133 P135 L149 L244 W253 F256 V266 N267 V268 I269	I133-L151 HydrophobicContact CG1-CB 4.46Å; P135-L151 HydrophobicContact CB-CD2 4.03Å; L149-L151 HydrophobicContact CD2-CD2 4.33Å; L149-L151 HydrophobicContact CG-CD2 4.31Å; L151-L244 HydrophobicContact CD1-CD2 3.69Å; L151-W253 HydrophobicContact CD1-CE3 4.11Å; L151-W253 HydrophobicContact CD1-CH2 4.07Å; L151-W253 HydrophobicContact CD1-CZ3 3.56Å; L151-F256 HydrophobicContact CD2-CE1 3.92Å; L151-F256 HydrophobicContact CD2-CZ 4.47Å; L151-V266 HydrophobicContact CD1-CB 4.45Å; L151-V266 HydrophobicContact CD1-CG2 4.28Å; L151-N267 PolarHBondContact N-O 2.95Å; L151-V268 HydrophobicContact CD1-CG2 4.47Å; L151-I269 PolarHBondContact O-N 3.27Å
152	D	96.6	Very high	93.3	Very high	27 Å²	27	30.6 Å²	30.6	14%	0.144	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	169.7	-179.6	-158.6	-0.3	0	0	0	111.7	I133 T134 Y136 R229 I269	I133-D152 WeakPolarHBondContact CD1-O 3.29Å; T134-D152 PolarHBondContact N-O 2.88Å; T134-D152 PolarHBondContact O-N 3.47Å; Y136-D152 HydrophobicContact CE1-CB 4.09Å; D152-R229 IonicContact OD1-CZ 3.31Å; D152-R229 VanDerWaalsContact OD1-CZ 3.26Å; D152-R229 IonicContact OD1-NH1 2.72Å; D152-R229 PolarHBondContact OD1-NH1 3.16Å; D152-R229 IonicContact OD1-NH2 2.67Å; D152-R229 PolarHBondContact OD1-NH2 2.94Å; D152-R229 IonicContact OD2-CZ 3.96Å; D152-R229 IonicContact OD2-NH2 2.76Å; D152-R229 PolarHBondContact OD2-NH2 3.3Å; D152-I269 HydrophobicContact CB-CB 4.19Å; D152-I269 HydrophobicContact CB-CG1 3.91Å; D152-I269 WeakPolarHBondContact OD1-CB 3.45Å; D152-I269 WeakPolarHBondContact OD1-CG2 3.46Å
153	Q	96.5	Very high	93.4	Very high	14 Å²	14	27.6 Å²	27.6	7%	0.065	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-59.8	169.8	179	74	-172.7	35.9	0	0	113.2	T134 N223 T224 Y273	T134-Q153 WeakPolarHBondContact CB-O 3.28Å; T134-Q153 PolarHBondContact OG1-O 2.86Å; Q153-N223 PolarHBondContact NE2-ND2 2.98Å; Q153-T224 PolarHBondContact NE2-O 3.19Å; Q153-T224 PolarHBondContact OE1-O 3.19Å; Q153-Y273 HydrophobicContact CB-CD1 3.82Å; Q153-Y273 HydrophobicContact CB-CD2 3.68Å; Q153-Y273 HydrophobicContact CB-CE1 4.01Å; Q153-Y273 HydrophobicContact CB-CE2 3.83Å; Q153-Y273 HydrophobicContact CB-CG 3.67Å
154	A	96.4	Very high	93.4	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.041	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-61.3	138	-179.1	0	0	0	0	0	112.6	S131 L156 L219 N223 Y273	S131-A154 WeakPolarHBondContact O-CA 3.17Å; S131-A154 VanDerWaalsContact O-CB 3.27Å; S131-A154 WeakPolarHBondContact O-CB 3.15Å; A154-L156 HydrophobicContact CB-CD2 4.4Å; A154-L219 HydrophobicContact CB-CD2 4.47Å; A154-N223 PolarHBondContact O-ND2 3.29Å; A154-N223 VanDerWaalsContact O-ND2 3.08Å; A154-Y273 VanDerWaalsContact CB-OH 3.28Å; A154-Y273 WeakPolarHBondContact CB-OH 3.48Å; A154-Y273 PolarHBondContact N-OH 3.35Å
155	I	92.6	Very high	93.5	Very high	56 Å²	56	26 Å²	26	29%	0.287	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-90.4	120.6	161.4	-65.9	170.6	0	0	0	107.6	T134 R296	T134-I155 HydrophobicContact CG2-CD1 3.66Å; T134-I155 HydrophobicContact CG2-CG1 4.24Å; T134-I155 WeakPolarHBondContact OG1-CG1 3.33Å; I155-R296 PolarHBondContact O-NH2 2.93Å; I155-R296 VanDerWaalsContact O-NH2 3.08Å
156	L	94.2	Very high	93.6	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-79.7	170.6	-175.2	-52.3	174.9	0	0	0	112.1	A154 L158 G159 E163 Y166 E216 L219 A220 R296	A154-L156 HydrophobicContact CB-CD2 4.4Å; L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.62Å; L156-G159 PolarHBondContact O-N 3.43Å; L156-E163 HydrophobicContact CD1-CG 4.35Å; L156-Y166 HydrophobicContact CB-CE2 3.9Å; L156-Y166 WeakPolarHBondContact CB-OH 3.32Å; L156-Y166 HydrophobicContact CD1-CD2 3.7Å; L156-Y166 HydrophobicContact CD1-CE2 3.47Å; L156-Y166 VanDerWaalsContact CD1-CE2 3.47Å; L156-Y166 HydrophobicContact CD1-CG 4.47Å; L156-Y166 HydrophobicContact CG-CE2 4.32Å; L156-E216 HydrophobicContact CD2-CG 4.23Å; L156-L219 HydrophobicContact CD2-CB 3.94Å; L156-A220 HydrophobicContact CD1-CB 3.6Å; L156-R296 PolarHBondContact O-NH1 3.14Å
157	G	92.4	Very high	93.6	Very high	22 Å²	22	23.5 Å²	23.5	23%	0.227	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-47.4	172	0	0	0	0	0	114.1	G159 Y166 Y180 E216 R296	G157-G159 PolarHBondContact O-N 3.29Å; G157-Y166 PolarHBondContact N-OH 2.48Å; G157-Y180 WeakPolarHBondContact CA-OH 3.39Å; G157-E216 WeakPolarHBondContact CA-OE1 3.49Å; G157-E216 PolarHBondContact N-OE1 3.16Å; G157-R296 VanDerWaalsContact N-NH1 3.14Å
158	L	92.1	Very high	93.5	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.079	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-0.9	179.3	-62.6	-178.8	0	0	0	113.6	L156 Y165 Y166 I176 Y180 F316	L156-L158 VanDerWaalsContact C-N 3.34Å; L156-L158 PolarHBondContact O-N 2.62Å; L158-Y165 VanDerWaalsContact CD1-CB 3.5Å; L158-Y165 HydrophobicContact CD1-CG 4.24Å; L158-Y166 HydrophobicContact CB-CE2 3.92Å; L158-Y166 WeakPolarHBondContact CB-OH 3.17Å; L158-Y166 HydrophobicContact CD1-CD2 4.31Å; L158-Y166 HydrophobicContact CD1-CE1 4.4Å; L158-Y166 HydrophobicContact CD1-CE2 3.65Å; L158-Y166 HydrophobicContact CG-CE2 3.92Å; L158-Y166 VanDerWaalsContact CG-OH 3.28Å; L158-Y166 WeakPolarHBondContact CG-OH 3.26Å; L158-Y166 PolarHBondContact N-OH 3.22Å; L158-I176 HydrophobicContact CD1-CG2 4.14Å; L158-I176 HydrophobicContact CD2-CG2 4.24Å; L158-Y180 HydrophobicContact CD2-CD1 4.49Å; L158-Y180 HydrophobicContact CD2-CD2 4.01Å; L158-Y180 HydrophobicContact CD2-CG 3.95Å; L158-F316 HydrophobicContact CD2-CE1 3.99Å; L158-F316 HydrophobicContact CD2-CE2 4.14Å; L158-F316 HydrophobicContact CD2-CZ 3.28Å
159	G	89.4	Confident	93.2	Very high	18 Å²	18	31.3 Å²	31.3	19%	0.186	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	106.9	-170.5	177.5	0	0	0	0	0	114	L156 G157 S162	L156-G159 PolarHBondContact O-N 3.43Å; G157-G159 PolarHBondContact O-N 3.29Å; G159-S162 PolarHBondContact O-OG 3.34Å
160	P	86.6	Confident	92.7	Very high	86 Å²	86	33 Å²	33	56%	0.558	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	150	174.8	30.5	-34.3	0	0	0	111.2	S162	P160-S162 PolarHBondContact O-N 2.98Å
161	R	87.6	Confident	92.3	Very high	91 Å²	91	37.4 Å²	37.4	34%	0.343	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	22.1	175.6	-47.6	176.4	-176.2	176.6	-1.5	114.4	E163 A226 E668	R161-E163 VanDerWaalsContact CA-OE2 3.23Å; R161-E163 WeakPolarHBondContact CA-OE2 3.47Å; R161-A226 HydrophobicContact CB-CB 3.98Å; R161-A226 HydrophobicContact CG-CB 3.79Å; R161-E668 IonicContact CZ-OE2 3.94Å; R161-E668 IonicContact NH1-OE1 2.91Å; R161-E668 IonicContact NH1-OE2 3.69Å; R161-E668 PolarHBondContact NH1-OE2 3.26Å; R161-E668 IonicContact NH2-OE1 2.75Å; R161-E668 IonicContact NH2-OE2 3.61Å; R161-E668 PolarHBondContact NH2-OE2 3.13Å
162	S	91.5	Very high	91.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	23%	0.227	C	C	.	.			trans	-94.7	9.7	-173.9	61.7	0	0	0	0	114.1	G159 P160 D164 Y165 Y166	G159-S162 PolarHBondContact O-OG 3.34Å; P160-S162 PolarHBondContact O-N 2.98Å; S162-D164 PolarHBondContact O-N 2.87Å; S162-D164 VanDerWaalsContact O-N 3.12Å; S162-Y165 WeakPolarHBondContact O-CB 3.48Å; S162-Y165 PolarHBondContact O-N 3.18Å; S162-Y166 VanDerWaalsContact O-CD2 3.27Å; S162-Y166 WeakPolarHBondContact O-CD2 3.25Å
163	E	93.3	Very high	91.4	Very high	16 Å²	16	38.8 Å²	38.8	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-52.5	-38.4	-174.4	-66.8	77.1	-170.9	0	0	112.3	L156 R161 Y165 Y166 L167 A220 N223	L156-E163 HydrophobicContact CD1-CG 4.35Å; R161-E163 VanDerWaalsContact CA-OE2 3.23Å; R161-E163 WeakPolarHBondContact CA-OE2 3.47Å; E163-Y165 PolarHBondContact O-N 3.2Å; E163-Y166 WeakPolarHBondContact O-CA 3.47Å; E163-Y166 WeakPolarHBondContact O-CB 3.48Å; E163-Y166 PolarHBondContact O-N 3.2Å; E163-L167 HydrophobicContact CB-CD1 4.37Å; E163-L167 WeakPolarHBondContact O-CG 3.17Å; E163-L167 PolarHBondContact O-N 2.8Å; E163-A220 HydrophobicContact CG-CB 4.47Å; E163-N223 HydrophobicContact CG-CB 3.95Å; E163-N223 PolarHBondContact OE1-ND2 3.14Å
164	D	90.6	Very high	91.3	Very high	37 Å²	37	45.1 Å²	45.1	20%	0.198	25%	0.25	C	C	.	.	H	α-helix	trans	-54.4	-36.7	177.5	-89.6	-10.6	0	0	0	113.1	S162 Y166 L167 K168 Y173 K597	S162-D164 PolarHBondContact O-N 2.87Å; S162-D164 VanDerWaalsContact O-N 3.12Å; D164-Y166 VanDerWaalsContact C-N 3.28Å; D164-Y166 PolarHBondContact O-N 3.21Å; D164-L167 PolarHBondContact O-N 3.25Å; D164-K168 HydrophobicContact CB-CD 3.96Å; D164-K168 HydrophobicContact CB-CG 4.42Å; D164-K168 VanDerWaalsContact O-CB 3.25Å; D164-K168 WeakPolarHBondContact O-CB 3.45Å; D164-K168 PolarHBondContact O-N 3.22Å; D164-K168 WeakPolarHBondContact OD1-CE 3.35Å; D164-K168 IonicContact OD1-NZ 3.82Å; D164-K168 PolarHBondContact OD1-NZ 2.61Å; D164-K168 WeakPolarHBondContact OD2-CE 3.45Å; D164-K168 IonicContact OD2-NZ 3.02Å; D164-K168 PolarHBondContact OD2-NZ 3.18Å; D164-Y173 HydrophobicContact CB-CE1 4.14Å; D164-K597 IonicContact OD2-NZ 2.76Å; D164-K597 PolarHBondContact OD2-NZ 3.46Å
165	Y	93	Very high	91.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.7	-30.7	177	-72.5	-79.6	0	0	0	112.5	L158 S162 E163 Y173 I176 R177 F320 K662 N665 I666	L158-Y165 VanDerWaalsContact CD1-CB 3.5Å; L158-Y165 HydrophobicContact CD1-CG 4.24Å; S162-Y165 WeakPolarHBondContact O-CB 3.48Å; S162-Y165 PolarHBondContact O-N 3.18Å; E163-Y165 PolarHBondContact O-N 3.2Å; Y165-Y173 AromaticContact CD1-CD1 3.77Å; Y165-Y173 HydrophobicContact CD1-CD1 3.77Å; Y165-Y173 HydrophobicContact CE1-CD1 4.06Å; Y165-Y173 HydrophobicContact CE1-CE1 4.49Å; Y165-Y173 HydrophobicContact CG-CD1 4.22Å; Y165-I176 HydrophobicContact CD1-CB 3.9Å; Y165-I176 HydrophobicContact CD1-CG1 4.08Å; Y165-I176 HydrophobicContact CD1-CG2 3.85Å; Y165-I176 HydrophobicContact CE1-CB 4.27Å; Y165-I176 HydrophobicContact CE1-CG1 3.92Å; Y165-I176 HydrophobicContact CE1-CG2 4.31Å; Y165-I176 HydrophobicContact CG-CG2 4.48Å; Y165-R177 WeakPolarHBondContact O-CD 3.22Å; Y165-R177 WeakPolarHBondContact O-CG 3.36Å; Y165-R177 PolarHBondContact O-NE 2.94Å; Y165-F320 HydrophobicContact CD1-CE2 4.22Å; Y165-F320 HydrophobicContact CD2-CE2 4.35Å; Y165-F320 HydrophobicContact CD2-CZ 4.43Å; Y165-F320 AromaticContact CE1-CE2 3.72Å; Y165-F320 HydrophobicContact CE1-CE2 3.72Å; Y165-F320 AromaticContact CE2-CE2 3.87Å; Y165-F320 HydrophobicContact CE2-CE2 3.87Å; Y165-F320 HydrophobicContact CE2-CZ 4.03Å; Y165-F320 AromaticContact CZ-CE2 3.52Å; Y165-K662 VanDerWaalsContact OH-CA 3.27Å; Y165-K662 WeakPolarHBondContact OH-CA 3.44Å; Y165-N665 HydrophobicContact CE2-CB 4.44Å; Y165-I666 HydrophobicContact CE2-CG2 3.98Å
166	Y	95	Very high	91.1	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.02	26%	0.258	C	S	.	.	H	α-helix	trans	-79.7	-36	177.1	-62.3	-93.9	0	0	0	112.1	L156 G157 L158 S162 E163 D164 R177 E216 I217 A220	L156-Y166 HydrophobicContact CB-CE2 3.9Å; L156-Y166 WeakPolarHBondContact CB-OH 3.32Å; L156-Y166 HydrophobicContact CD1-CD2 3.7Å; L156-Y166 HydrophobicContact CD1-CE2 3.47Å; L156-Y166 VanDerWaalsContact CD1-CE2 3.47Å; L156-Y166 HydrophobicContact CD1-CG 4.47Å; L156-Y166 HydrophobicContact CG-CE2 4.32Å; G157-Y166 PolarHBondContact N-OH 2.48Å; L158-Y166 HydrophobicContact CB-CE2 3.92Å; L158-Y166 WeakPolarHBondContact CB-OH 3.17Å; L158-Y166 HydrophobicContact CD1-CD2 4.31Å; L158-Y166 HydrophobicContact CD1-CE1 4.4Å; L158-Y166 HydrophobicContact CD1-CE2 3.65Å; L158-Y166 HydrophobicContact CG-CE2 3.92Å; L158-Y166 VanDerWaalsContact CG-OH 3.28Å; L158-Y166 WeakPolarHBondContact CG-OH 3.26Å; L158-Y166 PolarHBondContact N-OH 3.22Å; S162-Y166 VanDerWaalsContact O-CD2 3.27Å; S162-Y166 WeakPolarHBondContact O-CD2 3.25Å; E163-Y166 WeakPolarHBondContact O-CA 3.47Å; E163-Y166 WeakPolarHBondContact O-CB 3.48Å; E163-Y166 PolarHBondContact O-N 3.2Å; D164-Y166 VanDerWaalsContact C-N 3.28Å; D164-Y166 PolarHBondContact O-N 3.21Å; Y166-R177 PolarHBondContact O-NH1 2.86Å; Y166-E216 HydrophobicContact CE1-CB 4.48Å; Y166-E216 HydrophobicContact CE1-CG 3.77Å; Y166-E216 WeakPolarHBondContact CE1-OE1 3.37Å; Y166-E216 VanDerWaalsContact CZ-OE1 3.31Å; Y166-E216 PolarHBondContact OH-OE1 3.28Å; Y166-I217 HydrophobicContact CD1-CG1 3.94Å; Y166-A220 HydrophobicContact CD1-CB 4.48Å; Y166-A220 HydrophobicContact CD2-CB 4.08Å; Y166-A220 HydrophobicContact CG-CB 3.83Å
167	L	94.8	Very high	91.2	Very high	71 Å²	71	49.3 Å²	49.3	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-103.4	-26.8	-164.8	-56.4	-179.2	0	0	0	114.5	E163 D164 I217 A220 R221	E163-L167 HydrophobicContact CB-CD1 4.37Å; E163-L167 WeakPolarHBondContact O-CG 3.17Å; E163-L167 PolarHBondContact O-N 2.8Å; D164-L167 PolarHBondContact O-N 3.25Å; L167-I217 HydrophobicContact CD2-CG2 4.44Å; L167-A220 HydrophobicContact CD2-CB 4.46Å; L167-R221 HydrophobicContact CD2-CG 3.51Å
168	K	91.9	Very high	91.4	Very high	73 Å²	73	55.2 Å²	55.2	32%	0.317	28%	0.284	S	S	.	.			trans	-85.3	149.9	-177.5	-69.4	-178.7	169.5	166.5	0	113.1	D164 Y173 R177	D164-K168 HydrophobicContact CB-CD 3.96Å; D164-K168 HydrophobicContact CB-CG 4.42Å; D164-K168 VanDerWaalsContact O-CB 3.25Å; D164-K168 WeakPolarHBondContact O-CB 3.45Å; D164-K168 PolarHBondContact O-N 3.22Å; D164-K168 WeakPolarHBondContact OD1-CE 3.35Å; D164-K168 IonicContact OD1-NZ 3.82Å; D164-K168 PolarHBondContact OD1-NZ 2.61Å; D164-K168 WeakPolarHBondContact OD2-CE 3.45Å; D164-K168 IonicContact OD2-NZ 3.02Å; D164-K168 PolarHBondContact OD2-NZ 3.18Å; K168-Y173 HydrophobicContact CB-CD1 4.14Å; K168-Y173 HydrophobicContact CB-CD2 3.65Å; K168-Y173 HydrophobicContact CB-CE1 4.38Å; K168-Y173 HydrophobicContact CB-CE2 3.94Å; K168-Y173 HydrophobicContact CB-CG 3.76Å; K168-Y173 HydrophobicContact CD-CD2 4.41Å; K168-Y173 HydrophobicContact CD-CE1 3.94Å; K168-Y173 HydrophobicContact CD-CE2 3.84Å; K168-Y173 WeakPolarHBondContact O-CB 3.45Å; K168-R177 PolarHBondContact O-NH2 3.13Å
169	N	90.5	Very high	91.6	Very high	119 Å²	119	55.4 Å²	55.4	64%	0.636	29%	0.288	S	S	*	.			trans	-102.6	1.3	-174.1	-71.7	-31.4	0	0	0	115.3	R174 R177	N169-R174 PolarHBondContact O-NE 3.29Å; N169-R177 PolarHBondContact OD1-NH2 3.25Å
170	G	86.9	Confident	91.9	Very high	35 Å²	35	55 Å²	55	36%	0.361	28%	0.281	S	S	.	.	S	Bend	trans	-57.9	154.9	175.2	0	0	0	0	0	112.3	A172 Y173 R174	G170-A172 VanDerWaalsContact C-N 3.33Å; G170-A172 PolarHBondContact O-N 3.4Å; G170-Y173 PolarHBondContact O-N 2.86Å; G170-R174 PolarHBondContact O-N 2.96Å
171	S	87.6	Confident	92.4	Very high	93 Å²	93	51.8 Å²	51.8	65%	0.65	26%	0.26	S	S	*	.	H	α-helix	trans	-54.9	-46	-177.6	49.1	0	0	0	0	112.4	Y173 R174 L175	S171-Y173 PolarHBondContact O-N 3.36Å; S171-R174 PolarHBondContact O-N 3.37Å; S171-L175 WeakPolarHBondContact O-CB 3.19Å; S171-L175 PolarHBondContact O-N 3.24Å
172	A	86.2	Confident	92.9	Very high	24 Å²	24	50.1 Å²	50.1	20%	0.198	26%	0.256	C	S	.	.	H	α-helix	trans	-58.4	-48.5	177.2	0	0	0	0	0	112.2	G170 R174 L175 I176	G170-A172 VanDerWaalsContact C-N 3.33Å; G170-A172 PolarHBondContact O-N 3.4Å; A172-R174 PolarHBondContact O-N 2.8Å; A172-L175 PolarHBondContact O-N 2.85Å; A172-I176 WeakPolarHBondContact O-CG1 3.49Å; A172-I176 PolarHBondContact O-N 2.56Å; A172-I176 VanDerWaalsContact O-N 3.1Å
173	Y	91.2	Very high	93.2	Very high	31 Å²	31	50.7 Å²	50.7	12%	0.122	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-40.4	179.2	-53.7	-78.7	0	0	0	112.4	D164 Y165 K168 G170 S171 I176 R177 H661 N665	D164-Y173 HydrophobicContact CB-CE1 4.14Å; Y165-Y173 AromaticContact CD1-CD1 3.77Å; Y165-Y173 HydrophobicContact CD1-CD1 3.77Å; Y165-Y173 HydrophobicContact CE1-CD1 4.06Å; Y165-Y173 HydrophobicContact CE1-CE1 4.49Å; Y165-Y173 HydrophobicContact CG-CD1 4.22Å; K168-Y173 HydrophobicContact CB-CD1 4.14Å; K168-Y173 HydrophobicContact CB-CD2 3.65Å; K168-Y173 HydrophobicContact CB-CE1 4.38Å; K168-Y173 HydrophobicContact CB-CE2 3.94Å; K168-Y173 HydrophobicContact CB-CG 3.76Å; K168-Y173 HydrophobicContact CD-CD2 4.41Å; K168-Y173 HydrophobicContact CD-CE1 3.94Å; K168-Y173 HydrophobicContact CD-CE2 3.84Å; K168-Y173 WeakPolarHBondContact O-CB 3.45Å; G170-Y173 PolarHBondContact O-N 2.86Å; S171-Y173 PolarHBondContact O-N 3.36Å; Y173-I176 PolarHBondContact O-N 2.91Å; Y173-R177 WeakPolarHBondContact O-CG 3.41Å; Y173-R177 PolarHBondContact O-N 3.22Å; Y173-H661 AromaticContact CE1-CE1 3.95Å; Y173-H661 AromaticContact CZ-CE1 3.89Å; Y173-N665 PolarHBondContact OH-ND2 2.76Å; Y173-N665 PolarHBondContact OH-OD1 2.98Å
174	R	92.8	Very high	93.4	Very high	147 Å²	147	49.9 Å²	49.9	56%	0.555	26%	0.257	S	S	*	.	H	α-helix	trans	-65.6	-40.2	176.3	-74.6	-171.8	-68.8	-179.7	-0.1	112.5	N169 G170 S171 A172 I176 R177 Y178	N169-R174 PolarHBondContact O-NE 3.29Å; G170-R174 PolarHBondContact O-N 2.96Å; S171-R174 PolarHBondContact O-N 3.37Å; A172-R174 PolarHBondContact O-N 2.8Å; R174-I176 VanDerWaalsContact C-N 3.35Å; R174-R177 PolarHBondContact O-N 2.94Å; R174-Y178 WeakPolarHBondContact O-CB 3.29Å; R174-Y178 PolarHBondContact O-N 3.39Å
175	L	92.7	Very high	93.6	Very high	97 Å²	97	50.3 Å²	50.3	51%	0.508	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-45.2	176.7	-177.7	66.8	0	0	0	111.2	S171 A172 Y178 A179	S171-L175 WeakPolarHBondContact O-CB 3.19Å; S171-L175 PolarHBondContact O-N 3.24Å; A172-L175 PolarHBondContact O-N 2.85Å; L175-Y178 PolarHBondContact O-N 3.22Å; L175-A179 WeakPolarHBondContact O-CB 3.35Å; L175-A179 PolarHBondContact O-N 2.82Å
176	I	93.7	Very high	93.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-43	178.2	-61.7	-46	0	0	0	112	L158 Y165 A172 Y173 R174 Y178 A179 Y180 A319 F320 M658	L158-I176 HydrophobicContact CD1-CG2 4.14Å; L158-I176 HydrophobicContact CD2-CG2 4.24Å; Y165-I176 HydrophobicContact CD1-CB 3.9Å; Y165-I176 HydrophobicContact CD1-CG1 4.08Å; Y165-I176 HydrophobicContact CD1-CG2 3.85Å; Y165-I176 HydrophobicContact CE1-CB 4.27Å; Y165-I176 HydrophobicContact CE1-CG1 3.92Å; Y165-I176 HydrophobicContact CE1-CG2 4.31Å; Y165-I176 HydrophobicContact CG-CG2 4.48Å; A172-I176 WeakPolarHBondContact O-CG1 3.49Å; A172-I176 PolarHBondContact O-N 2.56Å; A172-I176 VanDerWaalsContact O-N 3.1Å; Y173-I176 PolarHBondContact O-N 2.91Å; R174-I176 VanDerWaalsContact C-N 3.35Å; I176-Y178 VanDerWaalsContact C-N 3.32Å; I176-Y178 PolarHBondContact O-N 3.18Å; I176-A179 PolarHBondContact O-N 2.86Å; I176-Y180 WeakPolarHBondContact O-CB 3.18Å; I176-Y180 PolarHBondContact O-N 3.19Å; I176-A319 VanDerWaalsContact CD1-O 3.31Å; I176-A319 WeakPolarHBondContact CD1-O 3.45Å; I176-F320 HydrophobicContact CB-CD2 4.47Å; I176-F320 HydrophobicContact CD1-CB 4.41Å; I176-F320 HydrophobicContact CD1-CD2 3.87Å; I176-F320 HydrophobicContact CG1-CD2 3.93Å; I176-F320 HydrophobicContact CG1-CE2 4.4Å; I176-F320 HydrophobicContact CG2-CD2 3.65Å; I176-F320 HydrophobicContact CG2-CE2 3.86Å; I176-F320 HydrophobicContact CG2-CG 4.46Å; I176-M658 HydrophobicContact CD1-SD 4.36Å
177	R	95.2	Very high	93.8	Very high	55 Å²	55	55 Å²	55	21%	0.208	28%	0.277	C	S	.	.	H	α-helix	trans	-57.5	-46.6	173.8	-76.8	-169.8	-78.1	177.4	-0.7	111.8	Y165 Y166 K168 N169 Y173 R174 Y180 T181	Y165-R177 WeakPolarHBondContact O-CD 3.22Å; Y165-R177 WeakPolarHBondContact O-CG 3.36Å; Y165-R177 PolarHBondContact O-NE 2.94Å; Y166-R177 PolarHBondContact O-NH1 2.86Å; K168-R177 PolarHBondContact O-NH2 3.13Å; N169-R177 PolarHBondContact OD1-NH2 3.25Å; Y173-R177 WeakPolarHBondContact O-CG 3.41Å; Y173-R177 PolarHBondContact O-N 3.22Å; R174-R177 PolarHBondContact O-N 2.94Å; R177-Y180 PolarHBondContact O-N 2.86Å; R177-T181 PolarHBondContact O-N 3.2Å; R177-T181 PolarHBondContact O-OG1 3.39Å
178	Y	96	Very high	93.8	Very high	145 Å²	145	51.9 Å²	51.9	57%	0.569	26%	0.261	S	S	*	.	H	α-helix	trans	-60.6	-49.2	177.8	177	-101.8	0	0	0	111.5	R174 L175 I176 Y180 T181 E182	R174-Y178 WeakPolarHBondContact O-CB 3.29Å; R174-Y178 PolarHBondContact O-N 3.39Å; L175-Y178 PolarHBondContact O-N 3.22Å; I176-Y178 VanDerWaalsContact C-N 3.32Å; I176-Y178 PolarHBondContact O-N 3.18Å; Y178-Y180 VanDerWaalsContact C-N 3.29Å; Y178-Y180 PolarHBondContact O-N 3.16Å; Y178-T181 PolarHBondContact O-N 2.97Å; Y178-E182 HydrophobicContact CD1-CG 4.34Å; Y178-E182 HydrophobicContact CD2-CG 4.21Å; Y178-E182 HydrophobicContact CE1-CG 3.9Å; Y178-E182 HydrophobicContact CE2-CG 3.74Å; Y178-E182 HydrophobicContact CG-CG 4.49Å; Y178-E182 WeakPolarHBondContact O-CG 3.46Å; Y178-E182 PolarHBondContact O-N 2.89Å
179	A	96.4	Very high	93.8	Very high	20 Å²	20	50.9 Å²	50.9	17%	0.165	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-40.3	177.8	0	0	0	0	0	112.3	L175 I176 A183 F316 A319	L175-A179 WeakPolarHBondContact O-CB 3.35Å; L175-A179 PolarHBondContact O-N 2.82Å; I176-A179 PolarHBondContact O-N 2.86Å; A179-A183 WeakPolarHBondContact O-CB 3.25Å; A179-A183 PolarHBondContact O-N 3.48Å; A179-F316 HydrophobicContact CB-CD2 4.19Å; A179-F316 HydrophobicContact CB-CE2 4.3Å; A179-A319 HydrophobicContact CB-CB 3.96Å
180	Y	97.2	Very high	94	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-48.7	176.5	179.5	-121.1	0	0	0	111.9	G157 L158 I176 R177 Y178 E182 A183 V184 I213 E216 L299 F316	G157-Y180 WeakPolarHBondContact CA-OH 3.39Å; L158-Y180 HydrophobicContact CD2-CD1 4.49Å; L158-Y180 HydrophobicContact CD2-CD2 4.01Å; L158-Y180 HydrophobicContact CD2-CG 3.95Å; I176-Y180 WeakPolarHBondContact O-CB 3.18Å; I176-Y180 PolarHBondContact O-N 3.19Å; R177-Y180 PolarHBondContact O-N 2.86Å; Y178-Y180 VanDerWaalsContact C-N 3.29Å; Y178-Y180 PolarHBondContact O-N 3.16Å; Y180-E182 VanDerWaalsContact C-N 3.33Å; Y180-E182 PolarHBondContact O-N 3.38Å; Y180-A183 WeakPolarHBondContact O-CB 3.04Å; Y180-A183 PolarHBondContact O-N 3.19Å; Y180-V184 HydrophobicContact CD2-CG2 4.34Å; Y180-V184 HydrophobicContact CE2-CG2 3.99Å; Y180-V184 WeakPolarHBondContact O-CG2 3.34Å; Y180-V184 PolarHBondContact O-N 3Å; Y180-I213 HydrophobicContact CD1-CD1 3.7Å; Y180-I213 HydrophobicContact CE1-CD1 3.42Å; Y180-I213 VanDerWaalsContact CE1-CD1 3.42Å; Y180-E216 VanDerWaalsContact CE1-OE2 3.28Å; Y180-E216 WeakPolarHBondContact CE1-OE2 3Å; Y180-E216 PolarHBondContact OH-OE1 3.33Å; Y180-E216 PolarHBondContact OH-OE2 3.41Å; Y180-L299 HydrophobicContact CE2-CD1 4.17Å; Y180-F316 HydrophobicContact CD2-CE2 4.28Å; Y180-F316 HydrophobicContact CD2-CZ 4.27Å; Y180-F316 HydrophobicContact CG-CE2 4.43Å
181	T	97.3	Very high	94.2	Very high	19 Å²	19	45.5 Å²	45.5	12%	0.117	22%	0.22	C	C	.	.	H	α-helix	trans	-58.1	-44.5	176.4	-62.1	0	0	0	0	111.9	R177 Y178 V184 K185 V209 I213	R177-T181 PolarHBondContact O-N 3.2Å; R177-T181 PolarHBondContact O-OG1 3.39Å; Y178-T181 PolarHBondContact O-N 2.97Å; T181-V184 PolarHBondContact O-N 3.2Å; T181-K185 WeakPolarHBondContact O-CG 3.43Å; T181-K185 PolarHBondContact O-N 2.82Å; T181-V209 HydrophobicContact CG2-CG1 4.33Å; T181-I213 HydrophobicContact CG2-CG1 4.36Å
182	E	96.8	Very high	94.3	Very high	57 Å²	57	41.7 Å²	41.7	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-67.1	-37	178.6	-68.2	-56.3	120.2	0	0	112.3	Y178 Y180 K185 K186	Y178-E182 HydrophobicContact CD1-CG 4.34Å; Y178-E182 HydrophobicContact CD2-CG 4.21Å; Y178-E182 HydrophobicContact CE1-CG 3.9Å; Y178-E182 HydrophobicContact CE2-CG 3.74Å; Y178-E182 HydrophobicContact CG-CG 4.49Å; Y178-E182 WeakPolarHBondContact O-CG 3.46Å; Y178-E182 PolarHBondContact O-N 2.89Å; Y180-E182 VanDerWaalsContact C-N 3.33Å; Y180-E182 PolarHBondContact O-N 3.38Å; E182-K185 PolarHBondContact O-N 3.43Å; E182-K185 IonicContact OE1-NZ 2.82Å; E182-K185 PolarHBondContact OE1-NZ 2.88Å; E182-K186 WeakPolarHBondContact O-CG 3.19Å; E182-K186 PolarHBondContact O-N 3.04Å
183	A	97.4	Very high	94.4	Very high	12 Å²	12	45.9 Å²	45.9	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-44.7	172.5	0	0	0	0	0	111.4	A179 Y180 K185 K186 I187 I312 F316	A179-A183 WeakPolarHBondContact O-CB 3.25Å; A179-A183 PolarHBondContact O-N 3.48Å; Y180-A183 WeakPolarHBondContact O-CB 3.04Å; Y180-A183 PolarHBondContact O-N 3.19Å; A183-K185 PolarHBondContact O-N 2.97Å; A183-K186 PolarHBondContact O-N 2.98Å; A183-I187 WeakPolarHBondContact O-CD1 3.3Å; A183-I187 VanDerWaalsContact O-CG1 3.27Å; A183-I187 WeakPolarHBondContact O-CG1 3.47Å; A183-I187 PolarHBondContact O-N 2.89Å; A183-I312 HydrophobicContact CB-CG2 3.9Å; A183-F316 HydrophobicContact CB-CB 4.1Å; A183-F316 HydrophobicContact CB-CD2 4.41Å; A183-F316 HydrophobicContact CB-CG 4.43Å
184	V	97.5	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-42.4	176.8	176.5	0	0	0	0	111.7	Y180 T181 I187 F188 V209 I213 L295	Y180-V184 HydrophobicContact CD2-CG2 4.34Å; Y180-V184 HydrophobicContact CE2-CG2 3.99Å; Y180-V184 WeakPolarHBondContact O-CG2 3.34Å; Y180-V184 PolarHBondContact O-N 3Å; T181-V184 PolarHBondContact O-N 3.2Å; V184-I187 PolarHBondContact O-N 2.04Å; V184-F188 HydrophobicContact CG1-CD2 3.83Å; V184-F188 HydrophobicContact CG1-CE2 3.79Å; V184-F188 WeakPolarHBondContact O-CD2 3.45Å; V184-F188 PolarHBondContact O-N 3.39Å; V184-F188 VanDerWaalsContact O-N 3.13Å; V184-V209 HydrophobicContact CB-CG1 4.02Å; V184-V209 HydrophobicContact CG1-CB 4.38Å; V184-V209 HydrophobicContact CG1-CG1 3.61Å; V184-V209 HydrophobicContact CG1-CG2 3.92Å; V184-I213 HydrophobicContact CG2-CD1 4.27Å; V184-L295 HydrophobicContact CG1-CD1 3.87Å; V184-L295 HydrophobicContact CG1-CD2 3.81Å; V184-L295 HydrophobicContact CG2-CD1 4.16Å; V184-L295 HydrophobicContact CG2-CD2 4.02Å
185	K	96.5	Very high	93.9	Very high	46 Å²	46	41.4 Å²	41.4	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-48.5	173.7	-70	176.4	-172.8	162.8	0	111.7	T181 E182 A183 I187 F188 H189 V209	T181-K185 WeakPolarHBondContact O-CG 3.43Å; T181-K185 PolarHBondContact O-N 2.82Å; E182-K185 PolarHBondContact O-N 3.43Å; E182-K185 IonicContact OE1-NZ 2.82Å; E182-K185 PolarHBondContact OE1-NZ 2.88Å; A183-K185 PolarHBondContact O-N 2.97Å; K185-I187 VanDerWaalsContact C-N 3.28Å; K185-I187 PolarHBondContact O-N 2.96Å; K185-F188 PolarHBondContact O-N 3.03Å; K185-H189 PolarHBondContact O-CD2 2.96Å; K185-H189 PolarHBondContact O-N 3.26Å; K185-V209 HydrophobicContact CG-CB 4.07Å; K185-V209 HydrophobicContact CG-CG1 3.77Å; K185-V209 HydrophobicContact CG-CG2 4.22Å
186	K	96.1	Very high	92.8	Very high	100 Å²	100	41.2 Å²	41.2	44%	0.435	20%	0.204	S	C	.	.	H	α-helix	trans	-56.2	-42.8	177.4	-73	178.2	179.3	-177	0	111.7	E182 A183 H189 L190 I312 D315	E182-K186 WeakPolarHBondContact O-CG 3.19Å; E182-K186 PolarHBondContact O-N 3.04Å; A183-K186 PolarHBondContact O-N 2.98Å; K186-H189 PolarHBondContact O-N 3.09Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 2.91Å; K186-I312 HydrophobicContact CB-CD1 3.77Å; K186-I312 HydrophobicContact CB-CG1 4.22Å; K186-I312 HydrophobicContact CB-CG2 4.34Å; K186-I312 HydrophobicContact CD-CG1 4.45Å; K186-D315 IonicContact NZ-OD2 3.39Å
187	I	95.3	Very high	91.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-51.1	178.2	-70.1	156.9	0	0	0	111	A183 V184 K185 H189 L190 I191 I298 L299 L302 I312	A183-I187 WeakPolarHBondContact O-CD1 3.3Å; A183-I187 VanDerWaalsContact O-CG1 3.27Å; A183-I187 WeakPolarHBondContact O-CG1 3.47Å; A183-I187 PolarHBondContact O-N 2.89Å; V184-I187 PolarHBondContact O-N 2.04Å; K185-I187 VanDerWaalsContact C-N 3.28Å; K185-I187 PolarHBondContact O-N 2.96Å; I187-H189 VanDerWaalsContact C-N 3.33Å; I187-H189 PolarHBondContact O-N 3.2Å; I187-L190 PolarHBondContact O-N 3.01Å; I187-I191 HydrophobicContact CG2-CD1 3.9Å; I187-I191 WeakPolarHBondContact O-CG1 3.36Å; I187-I191 PolarHBondContact O-N 2.88Å; I187-I298 HydrophobicContact CG2-CG2 3.59Å; I187-L299 HydrophobicContact CD1-CD2 3.88Å; I187-L302 HydrophobicContact CD1-CD1 3.51Å; I187-L302 HydrophobicContact CD1-CD2 4.45Å; I187-L302 HydrophobicContact CG1-CD1 4.12Å; I187-L302 HydrophobicContact CG1-CD2 4.27Å; I187-I312 HydrophobicContact CD1-CG2 4.21Å; I187-I312 HydrophobicContact CG1-CD1 4.1Å; I187-I312 HydrophobicContact CG1-CG2 3.92Å
188	F	94.4	Very high	90.3	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-31.5	-179.3	-79.5	-68.3	0	0	0	113	L106 V184 K185 S192 I205 V209 I212 Y294 L295 I298	L106-F188 HydrophobicContact CB-CD1 4.37Å; L106-F188 HydrophobicContact CB-CE1 4.41Å; L106-F188 HydrophobicContact CD1-CD1 4.1Å; L106-F188 HydrophobicContact CD1-CE1 3.75Å; L106-F188 HydrophobicContact CD1-CE2 4.2Å; L106-F188 HydrophobicContact CD1-CG 4.47Å; L106-F188 HydrophobicContact CD1-CZ 3.81Å; L106-F188 HydrophobicContact CD2-CB 4.09Å; L106-F188 HydrophobicContact CD2-CD1 3.85Å; L106-F188 HydrophobicContact CD2-CD2 4.41Å; L106-F188 HydrophobicContact CD2-CE1 4.36Å; L106-F188 HydrophobicContact CD2-CG 3.88Å; L106-F188 HydrophobicContact CG-CD1 4.33Å; L106-F188 HydrophobicContact CG-CE1 4.4Å; V184-F188 HydrophobicContact CG1-CD2 3.83Å; V184-F188 HydrophobicContact CG1-CE2 3.79Å; V184-F188 WeakPolarHBondContact O-CD2 3.45Å; V184-F188 PolarHBondContact O-N 3.39Å; V184-F188 VanDerWaalsContact O-N 3.13Å; K185-F188 PolarHBondContact O-N 3.03Å; F188-S192 WeakPolarHBondContact O-CB 3.3Å; F188-S192 PolarHBondContact O-N 3.11Å; F188-I205 HydrophobicContact CB-CG2 3.73Å; F188-V209 HydrophobicContact CD2-CG2 3.63Å; F188-V209 HydrophobicContact CE2-CG2 4.24Å; F188-V209 HydrophobicContact CG-CG2 4.41Å; F188-I212 HydrophobicContact CE2-CD1 3.84Å; F188-I212 HydrophobicContact CZ-CD1 4.03Å; F188-Y294 HydrophobicContact CE1-CD1 4Å; F188-Y294 HydrophobicContact CE1-CE1 4.24Å; F188-Y294 HydrophobicContact CZ-CD1 4.44Å; F188-L295 HydrophobicContact CE2-CB 4.38Å; F188-L295 HydrophobicContact CE2-CD1 3.96Å; F188-L295 HydrophobicContact CZ-CB 4.21Å; F188-L295 HydrophobicContact CZ-CD1 4.38Å; F188-I298 HydrophobicContact CE1-CD1 4.32Å
189	H	93.3	Very high	88.8	Confident	53 Å²	53	38.9 Å²	38.9	25%	0.245	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-45.9	169.1	-77.4	-56.8	0	0	0	112.3	K185 K186 I187 S192 N193 I205	K185-H189 PolarHBondContact O-CD2 2.96Å; K185-H189 PolarHBondContact O-N 3.26Å; K186-H189 PolarHBondContact O-N 3.09Å; I187-H189 VanDerWaalsContact C-N 3.33Å; I187-H189 PolarHBondContact O-N 3.2Å; H189-S192 PolarHBondContact O-N 3.3Å; H189-N193 PolarHBondContact O-N 2.89Å; H189-N193 VanDerWaalsContact O-N 3.07Å; H189-N193 PolarHBondContact O-ND2 2.84Å; H189-I205 WeakPolarHBondContact ND1-CD1 3.29Å
190	L	93.3	Very high	87.5	Confident	33 Å²	33	39.3 Å²	39.3	17%	0.173	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-44.4	176.9	-72.2	-171.3	0	0	0	112.3	K186 I187 S192 N193 D194 R308 Y309 I312	K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 2.91Å; I187-L190 PolarHBondContact O-N 3.01Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.11Å; L190-N193 PolarHBondContact O-N 3.15Å; L190-D194 WeakPolarHBondContact O-CB 3.38Å; L190-D194 PolarHBondContact O-N 3.44Å; L190-R308 HydrophobicContact CD1-CB 4.08Å; L190-R308 WeakPolarHBondContact CD1-O 2.98Å; L190-Y309 HydrophobicContact CB-CE1 4.22Å; L190-I312 HydrophobicContact CD1-CD1 3.43Å; L190-I312 VanDerWaalsContact CD1-CD1 3.43Å; L190-I312 HydrophobicContact CG-CD1 4.17Å
191	I	91.6	Very high	86.4	Confident	7 Å²	7	43.5 Å²	43.5	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-46.1	176.4	-73.1	173.7	0	0	0	111.5	L92 F93 I187 N193 D194 K195 I298 Y309	L92-I191 HydrophobicContact CD2-CG1 4.5Å; F93-I191 HydrophobicContact CE1-CG2 4.17Å; I187-I191 HydrophobicContact CG2-CD1 3.9Å; I187-I191 WeakPolarHBondContact O-CG1 3.36Å; I187-I191 PolarHBondContact O-N 2.88Å; I191-N193 VanDerWaalsContact C-N 3.3Å; I191-N193 PolarHBondContact O-N 3.35Å; I191-D194 PolarHBondContact O-N 3.14Å; I191-K195 PolarHBondContact O-N 3.37Å; I191-I298 HydrophobicContact CD1-CD1 3.39Å; I191-I298 HydrophobicContact CD1-CG1 4.12Å; I191-I298 HydrophobicContact CD1-CG2 4.3Å; I191-Y309 HydrophobicContact CG1-CE1 3.99Å
192	S	89	Confident	85.3	Confident	13 Å²	13	46.3 Å²	46.3	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-38.1	177.9	-172.3	0	0	0	0	112.1	F188 H189 L190 K195 S199 T200	F188-S192 WeakPolarHBondContact O-CB 3.3Å; F188-S192 PolarHBondContact O-N 3.11Å; H189-S192 PolarHBondContact O-N 3.3Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.11Å; S192-K195 CarbonylContact O-C 3.59Å; S192-S199 WeakPolarHBondContact OG-CA 3.34Å; S192-T200 PolarHBondContact OG-N 3.41Å; S192-T200 PolarHBondContact OG-O 3.32Å
193	N	89.6	Confident	84.3	Confident	112 Å²	112	49 Å²	49	60%	0.599	27%	0.274	S	S	*	.	H	α-helix	trans	-73.2	-43.3	178.6	-69.4	-18.4	0	0	0	112.8	H189 L190 I191	H189-N193 PolarHBondContact O-N 2.89Å; H189-N193 VanDerWaalsContact O-N 3.07Å; H189-N193 PolarHBondContact O-ND2 2.84Å; L190-N193 PolarHBondContact O-N 3.15Å; I191-N193 VanDerWaalsContact C-N 3.3Å; I191-N193 PolarHBondContact O-N 3.35Å
194	D	90	Very high	83.9	Confident	48 Å²	48	50.9 Å²	50.9	26%	0.257	28%	0.283	S	S	.	.	H	α-helix	trans	-76.2	-26.3	-175.6	-82.2	16.2	0	0	0	113.2	S89 F93 L190 I191 P196 R308 Y309	S89-D194 WeakPolarHBondContact CB-OD2 3.35Å; S89-D194 PolarHBondContact OG-OD2 2.81Å; F93-D194 HydrophobicContact CE2-CB 3.82Å; F93-D194 HydrophobicContact CZ-CB 3.77Å; L190-D194 WeakPolarHBondContact O-CB 3.38Å; L190-D194 PolarHBondContact O-N 3.44Å; I191-D194 PolarHBondContact O-N 3.14Å; D194-P196 WeakPolarHBondContact O-CD 3.29Å; D194-R308 IonicContact OD1-CZ 3.68Å; D194-R308 IonicContact OD1-NH1 2.87Å; D194-R308 PolarHBondContact OD1-NH1 3.09Å; D194-R308 IonicContact OD1-NH2 2.93Å; D194-R308 PolarHBondContact OD1-NH2 2.83Å; D194-R308 IonicContact OD2-CZ 2.69Å; D194-R308 IonicContact OD2-NH1 3.34Å; D194-R308 PolarHBondContact OD2-NH1 3.48Å; D194-R308 IonicContact OD2-NH2 2.76Å; D194-R308 PolarHBondContact OD2-NH2 3.04Å; D194-Y309 WeakPolarHBondContact OD2-CE2 3.36Å; D194-Y309 PolarHBondContact OD2-OH 2.9Å
195	K	83	Confident	83.6	Confident	37 Å²	37	51 Å²	51	16%	0.161	28%	0.283	C	S	.	.			trans	-123.3	81.7	174.7	-172.2	168.5	170.6	-142.5	0	109.5	F93 I191 S192 S197 D198	F93-K195 HydrophobicContact CD1-CB 4.25Å; F93-K195 HydrophobicContact CD1-CD 3.51Å; F93-K195 HydrophobicContact CE1-CB 3.63Å; F93-K195 HydrophobicContact CE1-CD 3.7Å; F93-K195 HydrophobicContact CE1-CG 4.33Å; F93-K195 HydrophobicContact CE2-CB 4.17Å; F93-K195 HydrophobicContact CG-CD 4.06Å; F93-K195 HydrophobicContact CZ-CB 3.59Å; F93-K195 HydrophobicContact CZ-CD 4.39Å; I191-K195 PolarHBondContact O-N 3.37Å; S192-K195 CarbonylContact O-C 3.59Å; K195-S197 WeakPolarHBondContact CG-OG 3.45Å; K195-S197 PolarHBondContact O-N 3.09Å; K195-D198 WeakPolarHBondContact CD-OD2 3.44Å; K195-D198 WeakPolarHBondContact CE-OD2 3.47Å; K195-D198 HydrophobicContact CG-CB 4.42Å; K195-D198 IonicContact NZ-OD1 3.72Å; K195-D198 IonicContact NZ-OD2 2.76Å; K195-D198 PolarHBondContact NZ-OD2 2.67Å; K195-D198 WeakPolarHBondContact O-CA 3.32Å; K195-D198 WeakPolarHBondContact O-CB 3.47Å; K195-D198 PolarHBondContact O-N 3.39Å
196	P	68.8	Low	83.5	Confident	92 Å²	92	49.6 Å²	49.6	60%	0.597	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-57.6	-20.4	-177.2	-26.2	34	0	0	0	114.5	D194 D198 S199	D194-P196 WeakPolarHBondContact O-CD 3.29Å; P196-D198 PolarHBondContact O-N 3.45Å; P196-S199 WeakPolarHBondContact O-CB 3.49Å; P196-S199 PolarHBondContact O-N 2.81Å; P196-S199 VanDerWaalsContact O-N 3.07Å; P196-S199 PolarHBondContact O-OG 3.49Å
197	S	70.3	Confident	83.4	Confident	57 Å²	57	52.4 Å²	52.4	40%	0.399	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.9	-22.3	172	67.5	0	0	0	0	113.2	K105 K195	K105-S197 WeakPolarHBondContact CE-O 3.46Å; K105-S197 PolarHBondContact NZ-O 2.9Å; K195-S197 WeakPolarHBondContact CG-OG 3.45Å; K195-S197 PolarHBondContact O-N 3.09Å
198	D	67.4	Low	83.4	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.037	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-104.3	16.5	179.5	-57.8	-5.5	0	0	0	110.8	K105 K195 P196 T200	K105-D198 HydrophobicContact CG-CB 4.48Å; K195-D198 WeakPolarHBondContact CD-OD2 3.44Å; K195-D198 WeakPolarHBondContact CE-OD2 3.47Å; K195-D198 HydrophobicContact CG-CB 4.42Å; K195-D198 IonicContact NZ-OD1 3.72Å; K195-D198 IonicContact NZ-OD2 2.76Å; K195-D198 PolarHBondContact NZ-OD2 2.67Å; K195-D198 WeakPolarHBondContact O-CA 3.32Å; K195-D198 WeakPolarHBondContact O-CB 3.47Å; K195-D198 PolarHBondContact O-N 3.39Å; P196-D198 PolarHBondContact O-N 3.45Å; D198-T200 PolarHBondContact O-N 3.41Å; D198-T200 PolarHBondContact O-OG1 3.02Å
199	S	63.6	Low	83.5	Confident	87 Å²	87	53 Å²	53	61%	0.608	29%	0.293	S	S	*	.			trans	-53.9	110.6	-179.3	67.7	0	0	0	0	110.7	S192 P196	S192-S199 WeakPolarHBondContact OG-CA 3.34Å; P196-S199 WeakPolarHBondContact O-CB 3.49Å; P196-S199 PolarHBondContact O-N 2.81Å; P196-S199 VanDerWaalsContact O-N 3.07Å; P196-S199 PolarHBondContact O-OG 3.49Å
200	T	69.6	Low	83.7	Confident	29 Å²	29	54 Å²	54	18%	0.178	30%	0.3	C	S	.	.			trans	-114.3	135.9	177.9	-54.7	0	0	0	0	107.5	S192 D198 D204 I205	S192-T200 PolarHBondContact OG-N 3.41Å; S192-T200 PolarHBondContact OG-O 3.32Å; D198-T200 PolarHBondContact O-N 3.41Å; D198-T200 PolarHBondContact O-OG1 3.02Å; T200-D204 HydrophobicContact CG2-CB 3.64Å; T200-I205 HydrophobicContact CG2-CG1 3.96Å
201	N	73.8	Confident	83.9	Confident	96 Å²	96	56.9 Å²	56.9	51%	0.513	31%	0.311	S	S	.	.			trans	-60.9	149	-178.8	-172.5	10.8	0	0	0	110	D203 D204 I205	N201-D203 VanDerWaalsContact C-N 3.28Å; N201-D203 PolarHBondContact O-N 2.9Å; N201-D204 HydrophobicContact CB-CB 4.38Å; N201-D204 WeakPolarHBondContact O-CA 3.38Å; N201-D204 WeakPolarHBondContact O-CB 3.19Å; N201-D204 PolarHBondContact O-N 3.45Å; N201-I205 WeakPolarHBondContact O-CG1 3.44Å; N201-I205 PolarHBondContact O-N 3.31Å
202	T	74.3	Confident	84.1	Confident	79 Å²	79	56.6 Å²	56.6	49%	0.485	31%	0.31	S	S	.	.	H	α-helix	trans	-57	-42.1	-178.1	-70.1	0	0	0	0	112.1	D204 I205 G206	T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 PolarHBondContact O-N 2.78Å; T202-I205 PolarHBondContact O-N 3.32Å; T202-G206 PolarHBondContact O-N 3.2Å
203	D	75.8	Confident	84.6	Confident	112 Å²	112	56.6 Å²	56.6	60%	0.599	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-31.2	176.9	-65.2	-23.7	0	0	0	112.5	N201 R207	N201-D203 VanDerWaalsContact C-N 3.28Å; N201-D203 PolarHBondContact O-N 2.9Å; D203-R207 WeakPolarHBondContact O-CG 2.97Å; D203-R207 PolarHBondContact O-N 2.94Å; D203-R207 VanDerWaalsContact O-N 3.16Å
204	D	88.4	Confident	85	Confident	53 Å²	53	55.6 Å²	55.6	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-74.3	-39.1	176.8	-63.5	-23.3	0	0	0	110.7	T200 N201 T202 R207 N208	T200-D204 HydrophobicContact CG2-CB 3.64Å; N201-D204 HydrophobicContact CB-CB 4.38Å; N201-D204 WeakPolarHBondContact O-CA 3.38Å; N201-D204 WeakPolarHBondContact O-CB 3.19Å; N201-D204 PolarHBondContact O-N 3.45Å; T202-D204 VanDerWaalsContact C-N 3.27Å; T202-D204 PolarHBondContact O-N 2.78Å; D204-R207 PolarHBondContact O-N 3.46Å; D204-R207 IonicContact OD1-CZ 3.6Å; D204-R207 IonicContact OD1-NE 3.82Å; D204-R207 IonicContact OD1-NH2 2.62Å; D204-R207 PolarHBondContact OD1-NH2 2.79Å; D204-N208 WeakPolarHBondContact O-CB 3.05Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 3.45Å; D204-N208 PolarHBondContact O-ND2 2.8Å
205	I	91.5	Very high	85.4	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-51.4	172.4	-66.1	168.7	0	0	0	109.8	L106 F188 H189 T200 N201 T202 R207 N208 V209	L106-I205 HydrophobicContact CD2-CB 4.3Å; L106-I205 HydrophobicContact CD2-CG1 4.09Å; L106-I205 HydrophobicContact CD2-CG2 4.28Å; F188-I205 HydrophobicContact CB-CG2 3.73Å; H189-I205 WeakPolarHBondContact ND1-CD1 3.29Å; T200-I205 HydrophobicContact CG2-CG1 3.96Å; N201-I205 WeakPolarHBondContact O-CG1 3.44Å; N201-I205 PolarHBondContact O-N 3.31Å; T202-I205 PolarHBondContact O-N 3.32Å; I205-R207 PolarHBondContact O-N 3.16Å; I205-N208 PolarHBondContact O-N 2.94Å; I205-V209 HydrophobicContact CG2-CG2 4.18Å; I205-V209 WeakPolarHBondContact O-CB 3.19Å; I205-V209 VanDerWaalsContact O-CG2 3.25Å; I205-V209 WeakPolarHBondContact O-CG2 3.39Å; I205-V209 PolarHBondContact O-N 3.32Å
206	G	93.5	Very high	86.1	Confident	17 Å²	17	51.7 Å²	51.7	18%	0.175	28%	0.284	C	S	.	.	H	α-helix	trans	-55.7	-49.7	179.3	0	0	0	0	0	112.5	T202 V209 D210	T202-G206 PolarHBondContact O-N 3.2Å; G206-V209 PolarHBondContact O-N 3.13Å; G206-D210 VanDerWaalsContact O-CG 3.25Å; G206-D210 PolarHBondContact O-N 3.42Å
207	R	94.7	Very high	87.5	Confident	159 Å²	159	48.4 Å²	48.4	60%	0.6	26%	0.261	S	S	*	.	H	α-helix	trans	-63.9	-43.1	179.5	-71.7	-172.4	-62.7	163.8	-3.3	113.3	D203 D204 I205 D210 K211	D203-R207 WeakPolarHBondContact O-CG 2.97Å; D203-R207 PolarHBondContact O-N 2.94Å; D203-R207 VanDerWaalsContact O-N 3.16Å; D204-R207 PolarHBondContact O-N 3.46Å; D204-R207 IonicContact OD1-CZ 3.6Å; D204-R207 IonicContact OD1-NE 3.82Å; D204-R207 IonicContact OD1-NH2 2.62Å; D204-R207 PolarHBondContact OD1-NH2 2.79Å; I205-R207 PolarHBondContact O-N 3.16Å; R207-D210 PolarHBondContact O-N 2.84Å; R207-K211 WeakPolarHBondContact O-CG 3.44Å; R207-K211 PolarHBondContact O-N 2.82Å; R207-K211 VanDerWaalsContact O-N 3.1Å
208	N	94.9	Very high	88.8	Confident	20 Å²	20	48.5 Å²	48.5	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-70.8	-37.7	-179.9	-69.8	-26.8	0	0	0	111.3	L106 G107 D204 I205 D210 K211 I212	L106-N208 HydrophobicContact CD1-CB 3.83Å; L106-N208 HydrophobicContact CD2-CB 3.97Å; L106-N208 HydrophobicContact CG-CB 3.65Å; L106-N208 PolarHBondContact O-ND2 3.22Å; G107-N208 WeakPolarHBondContact CA-ND2 3.23Å; D204-N208 WeakPolarHBondContact O-CB 3.05Å; D204-N208 VanDerWaalsContact O-CG 3.29Å; D204-N208 PolarHBondContact O-N 3.45Å; D204-N208 PolarHBondContact O-ND2 2.8Å; I205-N208 PolarHBondContact O-N 2.94Å; N208-D210 VanDerWaalsContact C-N 3.34Å; N208-D210 PolarHBondContact O-N 3.4Å; N208-K211 WeakPolarHBondContact O-CB 3.45Å; N208-K211 PolarHBondContact O-N 3.16Å; N208-I212 WeakPolarHBondContact O-CG1 3.31Å; N208-I212 PolarHBondContact O-N 2.86Å
209	V	96.8	Very high	90.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-43.9	171.7	171.2	0	0	0	0	111.1	T181 V184 K185 F188 I205 G206 K211 I212 I213	T181-V209 HydrophobicContact CG2-CG1 4.33Å; V184-V209 HydrophobicContact CB-CG1 4.02Å; V184-V209 HydrophobicContact CG1-CB 4.38Å; V184-V209 HydrophobicContact CG1-CG1 3.61Å; V184-V209 HydrophobicContact CG1-CG2 3.92Å; K185-V209 HydrophobicContact CG-CB 4.07Å; K185-V209 HydrophobicContact CG-CG1 3.77Å; K185-V209 HydrophobicContact CG-CG2 4.22Å; F188-V209 HydrophobicContact CD2-CG2 3.63Å; F188-V209 HydrophobicContact CE2-CG2 4.24Å; F188-V209 HydrophobicContact CG-CG2 4.41Å; I205-V209 HydrophobicContact CG2-CG2 4.18Å; I205-V209 WeakPolarHBondContact O-CB 3.19Å; I205-V209 VanDerWaalsContact O-CG2 3.25Å; I205-V209 WeakPolarHBondContact O-CG2 3.39Å; I205-V209 PolarHBondContact O-N 3.32Å; G206-V209 PolarHBondContact O-N 3.13Å; V209-K211 VanDerWaalsContact C-N 3.28Å; V209-K211 PolarHBondContact O-N 3.09Å; V209-I212 PolarHBondContact O-N 3.35Å; V209-I212 VanDerWaalsContact O-N 3.14Å; V209-I213 HydrophobicContact CG1-CG1 4.1Å; V209-I213 VanDerWaalsContact O-CG1 3.31Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.63Å
210	D	96.8	Very high	91.9	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-38.5	176.6	-69.6	-17.4	0	0	0	111.6	G206 R207 N208 N214	G206-D210 VanDerWaalsContact O-CG 3.25Å; G206-D210 PolarHBondContact O-N 3.42Å; R207-D210 PolarHBondContact O-N 2.84Å; N208-D210 VanDerWaalsContact C-N 3.34Å; N208-D210 PolarHBondContact O-N 3.4Å; D210-N214 WeakPolarHBondContact O-CB 3.31Å; D210-N214 PolarHBondContact O-N 3.14Å; D210-N214 PolarHBondContact O-ND2 3.41Å
211	K	97.6	Very high	93.2	Very high	95 Å²	95	50.8 Å²	50.8	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-46.6	172.6	-70	177.2	177.9	-178.8	0	112.3	R207 N208 V209 I213 N214 F215 T288	R207-K211 WeakPolarHBondContact O-CG 3.44Å; R207-K211 PolarHBondContact O-N 2.82Å; R207-K211 VanDerWaalsContact O-N 3.1Å; N208-K211 WeakPolarHBondContact O-CB 3.45Å; N208-K211 PolarHBondContact O-N 3.16Å; V209-K211 VanDerWaalsContact C-N 3.28Å; V209-K211 PolarHBondContact O-N 3.09Å; K211-I213 PolarHBondContact O-N 3.05Å; K211-N214 PolarHBondContact O-N 3.1Å; K211-F215 WeakPolarHBondContact O-CB 3.4Å; K211-F215 PolarHBondContact O-N 3.23Å; K211-T288 HydrophobicContact CB-CG2 3.98Å
212	I	97.6	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-46.7	178.5	-63.9	164.8	0	0	0	110.8	L106 F188 N208 V209 N214 F215 E216 D291 Y292 L295	L106-I212 HydrophobicContact CD1-CD1 3.77Å; F188-I212 HydrophobicContact CE2-CD1 3.84Å; F188-I212 HydrophobicContact CZ-CD1 4.03Å; N208-I212 WeakPolarHBondContact O-CG1 3.31Å; N208-I212 PolarHBondContact O-N 2.86Å; V209-I212 PolarHBondContact O-N 3.35Å; V209-I212 VanDerWaalsContact O-N 3.14Å; I212-N214 VanDerWaalsContact C-N 3.35Å; I212-N214 PolarHBondContact O-N 2.87Å; I212-F215 PolarHBondContact O-N 2.72Å; I212-E216 PolarHBondContact O-N 3.02Å; I212-D291 HydrophobicContact CD1-CB 3.77Å; I212-D291 HydrophobicContact CG1-CB 3.8Å; I212-Y292 HydrophobicContact CG2-CD2 3.99Å; I212-L295 HydrophobicContact CG2-CB 4.5Å; I212-L295 HydrophobicContact CG2-CD2 3.52Å
213	I	97.9	Very high	95.4	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-40.4	179.3	-64	-62.6	0	0	0	110.9	Y180 T181 V184 V209 K211 E216 I217	Y180-I213 HydrophobicContact CD1-CD1 3.7Å; Y180-I213 HydrophobicContact CE1-CD1 3.42Å; Y180-I213 VanDerWaalsContact CE1-CD1 3.42Å; T181-I213 HydrophobicContact CG2-CG1 4.36Å; V184-I213 HydrophobicContact CG2-CD1 4.27Å; V209-I213 HydrophobicContact CG1-CG1 4.1Å; V209-I213 VanDerWaalsContact O-CG1 3.31Å; V209-I213 WeakPolarHBondContact O-CG1 3.47Å; V209-I213 PolarHBondContact O-N 2.63Å; K211-I213 PolarHBondContact O-N 3.05Å; I213-E216 PolarHBondContact O-N 2.97Å; I213-I217 HydrophobicContact CG2-CD1 4.04Å; I213-I217 VanDerWaalsContact O-CG1 3.3Å; I213-I217 WeakPolarHBondContact O-CG1 3.47Å; I213-I217 PolarHBondContact O-N 2.7Å
214	N	97.9	Very high	96.2	Very high	91 Å²	91	39.5 Å²	39.5	49%	0.487	19%	0.187	S	C	.	.	H	α-helix	trans	-64.2	-43.4	175.5	-74.1	-33.9	0	0	0	111.8	D210 K211 I212 E216 I217 D218	D210-N214 WeakPolarHBondContact O-CB 3.31Å; D210-N214 PolarHBondContact O-N 3.14Å; D210-N214 PolarHBondContact O-ND2 3.41Å; K211-N214 PolarHBondContact O-N 3.1Å; I212-N214 VanDerWaalsContact C-N 3.35Å; I212-N214 PolarHBondContact O-N 2.87Å; N214-E216 VanDerWaalsContact C-N 3.28Å; N214-E216 PolarHBondContact O-N 2.69Å; N214-I217 WeakPolarHBondContact O-CB 3.5Å; N214-I217 PolarHBondContact O-N 2.87Å; N214-I217 VanDerWaalsContact O-N 3.13Å; N214-D218 PolarHBondContact O-N 3.08Å
215	F	98.4	Very high	96.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-40.4	174	178.1	-110.8	0	0	0	111.9	I132 K211 I212 D218 L219 L280 L281 T284 T288 V289 Y292	I132-F215 HydrophobicContact CG2-CE1 4.25Å; I132-F215 HydrophobicContact CG2-CZ 4.33Å; K211-F215 WeakPolarHBondContact O-CB 3.4Å; K211-F215 PolarHBondContact O-N 3.23Å; I212-F215 PolarHBondContact O-N 2.72Å; F215-D218 PolarHBondContact O-N 2.78Å; F215-L219 HydrophobicContact CD1-CD1 4.09Å; F215-L219 HydrophobicContact CE1-CD1 3.71Å; F215-L219 HydrophobicContact CE1-CG 4.21Å; F215-L219 HydrophobicContact CZ-CD1 4.23Å; F215-L219 HydrophobicContact CZ-CD2 4.41Å; F215-L219 HydrophobicContact CZ-CG 4.31Å; F215-L219 PolarHBondContact O-N 2.89Å; F215-L280 HydrophobicContact CD2-CD1 4.45Å; F215-L280 HydrophobicContact CD2-CD2 4.42Å; F215-L280 HydrophobicContact CD2-CG 4.38Å; F215-L280 HydrophobicContact CE2-CD1 4.43Å; F215-L280 HydrophobicContact CE2-CD2 3.97Å; F215-L280 HydrophobicContact CE2-CG 3.9Å; F215-L281 HydrophobicContact CZ-CD2 4.17Å; F215-T284 HydrophobicContact CD2-CG2 3.53Å; F215-T284 HydrophobicContact CE2-CG2 3.84Å; F215-T284 HydrophobicContact CG-CG2 4.3Å; F215-T288 HydrophobicContact CB-CG2 3.92Å; F215-T288 HydrophobicContact CG-CG2 4.41Å; F215-V289 HydrophobicContact CE2-CG2 4.17Å; F215-V289 HydrophobicContact CZ-CG1 4.48Å; F215-V289 HydrophobicContact CZ-CG2 4.07Å; F215-Y292 HydrophobicContact CD1-CD1 4.05Å; F215-Y292 HydrophobicContact CD1-CD2 4.05Å; F215-Y292 AromaticContact CD1-CG 3.67Å; F215-Y292 HydrophobicContact CD1-CG 3.67Å; F215-Y292 AromaticContact CE1-CD1 3.66Å; F215-Y292 HydrophobicContact CE1-CD1 3.66Å; F215-Y292 HydrophobicContact CE1-CD2 4.47Å; F215-Y292 HydrophobicContact CE1-CE1 4.25Å; F215-Y292 AromaticContact CE1-CG 3.79Å; F215-Y292 HydrophobicContact CE1-CG 3.79Å
216	E	98.2	Very high	95.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-35.8	175.5	-166	178.3	167.1	0	0	113	L156 G157 Y166 Y180 I212 I213 N214 D218 L219 A220 Y292	L156-E216 HydrophobicContact CD2-CG 4.23Å; G157-E216 WeakPolarHBondContact CA-OE1 3.49Å; G157-E216 PolarHBondContact N-OE1 3.16Å; Y166-E216 HydrophobicContact CE1-CB 4.48Å; Y166-E216 HydrophobicContact CE1-CG 3.77Å; Y166-E216 WeakPolarHBondContact CE1-OE1 3.37Å; Y166-E216 VanDerWaalsContact CZ-OE1 3.31Å; Y166-E216 PolarHBondContact OH-OE1 3.28Å; Y180-E216 VanDerWaalsContact CE1-OE2 3.28Å; Y180-E216 WeakPolarHBondContact CE1-OE2 3Å; Y180-E216 PolarHBondContact OH-OE1 3.33Å; Y180-E216 PolarHBondContact OH-OE2 3.41Å; I212-E216 PolarHBondContact O-N 3.02Å; I213-E216 PolarHBondContact O-N 2.97Å; N214-E216 VanDerWaalsContact C-N 3.28Å; N214-E216 PolarHBondContact O-N 2.69Å; E216-D218 VanDerWaalsContact C-N 3.31Å; E216-L219 WeakPolarHBondContact O-CB 3.02Å; E216-L219 PolarHBondContact O-N 3.14Å; E216-A220 PolarHBondContact O-N 3.21Å; E216-Y292 HydrophobicContact CB-CD2 4.39Å; E216-Y292 HydrophobicContact CB-CE2 3.96Å; E216-Y292 HydrophobicContact CG-CE2 3.82Å
217	I	97.9	Very high	95.1	Very high	22 Å²	22	43.2 Å²	43.2	11%	0.113	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-40	170.4	-70.9	165.2	0	0	0	110.3	Y166 L167 I213 N214 A220 R221	Y166-I217 HydrophobicContact CD1-CG1 3.94Å; L167-I217 HydrophobicContact CD2-CG2 4.44Å; I213-I217 HydrophobicContact CG2-CD1 4.04Å; I213-I217 VanDerWaalsContact O-CG1 3.3Å; I213-I217 WeakPolarHBondContact O-CG1 3.47Å; I213-I217 PolarHBondContact O-N 2.7Å; N214-I217 WeakPolarHBondContact O-CB 3.5Å; N214-I217 PolarHBondContact O-N 2.87Å; N214-I217 VanDerWaalsContact O-N 3.13Å; I217-A220 WeakPolarHBondContact O-CB 3.32Å; I217-A220 PolarHBondContact O-N 3.22Å; I217-R221 WeakPolarHBondContact O-CG 3.5Å; I217-R221 PolarHBondContact O-N 3.42Å
218	D	98.2	Very high	94.6	Very high	60 Å²	60	42.3 Å²	42.3	32%	0.321	21%	0.209	S	C	.	.	H	α-helix	trans	-68.7	-37.7	177.4	-68.1	-30.3	0	0	0	111.9	N214 F215 E216 A220 R221 I222 L280	N214-D218 PolarHBondContact O-N 3.08Å; F215-D218 PolarHBondContact O-N 2.78Å; E216-D218 VanDerWaalsContact C-N 3.31Å; D218-A220 VanDerWaalsContact C-N 3.33Å; D218-A220 PolarHBondContact O-N 3.1Å; D218-R221 WeakPolarHBondContact O-CB 3.22Å; D218-R221 PolarHBondContact O-N 2.81Å; D218-R221 VanDerWaalsContact O-N 3.16Å; D218-R221 IonicContact OD1-NE 2.71Å; D218-I222 PolarHBondContact O-N 2.94Å; D218-I222 VanDerWaalsContact O-N 3.16Å; D218-L280 HydrophobicContact CB-CD1 3.68Å; D218-L280 HydrophobicContact CB-CD2 4.11Å
219	L	97.8	Very high	94.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-46.5	167.4	-73.7	172.3	0	0	0	111.3	I132 A154 L156 F215 E216 R221 I222 N223 L280 Y292	I132-L219 HydrophobicContact CG2-CD1 4.21Å; I132-L219 HydrophobicContact CG2-CD2 4.4Å; A154-L219 HydrophobicContact CB-CD2 4.47Å; L156-L219 HydrophobicContact CD2-CB 3.94Å; F215-L219 HydrophobicContact CD1-CD1 4.09Å; F215-L219 HydrophobicContact CE1-CD1 3.71Å; F215-L219 HydrophobicContact CE1-CG 4.21Å; F215-L219 HydrophobicContact CZ-CD1 4.23Å; F215-L219 HydrophobicContact CZ-CD2 4.41Å; F215-L219 HydrophobicContact CZ-CG 4.31Å; F215-L219 PolarHBondContact O-N 2.89Å; E216-L219 WeakPolarHBondContact O-CB 3.02Å; E216-L219 PolarHBondContact O-N 3.14Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 2.85Å; L219-I222 HydrophobicContact CD2-CD1 4.22Å; L219-I222 WeakPolarHBondContact O-CG1 3.39Å; L219-I222 PolarHBondContact O-N 3.22Å; L219-I222 VanDerWaalsContact O-N 3.17Å; L219-N223 PolarHBondContact O-N 3.01Å; L219-N223 PolarHBondContact O-OD1 3Å; L219-L280 HydrophobicContact CD2-CD2 3.83Å; L219-L280 HydrophobicContact CG-CD2 4.12Å; L219-Y292 HydrophobicContact CD1-CD1 4.41Å; L219-Y292 HydrophobicContact CD1-CE1 3.71Å; L219-Y292 HydrophobicContact CD1-CE2 4.17Å
220	A	97.4	Very high	93.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-31.7	177.3	0	0	0	0	0	113.1	L156 E163 Y166 L167 E216 I217 D218	L156-A220 HydrophobicContact CD1-CB 3.6Å; E163-A220 HydrophobicContact CG-CB 4.47Å; Y166-A220 HydrophobicContact CD1-CB 4.48Å; Y166-A220 HydrophobicContact CD2-CB 4.08Å; Y166-A220 HydrophobicContact CG-CB 3.83Å; L167-A220 HydrophobicContact CD2-CB 4.46Å; E216-A220 PolarHBondContact O-N 3.21Å; I217-A220 WeakPolarHBondContact O-CB 3.32Å; I217-A220 PolarHBondContact O-N 3.22Å; D218-A220 VanDerWaalsContact C-N 3.33Å; D218-A220 PolarHBondContact O-N 3.1Å
221	R	97.3	Very high	93.1	Very high	168 Å²	168	44.1 Å²	44.1	63%	0.634	21%	0.213	S	C	*	.	H	α-helix	trans	-71.3	-33.7	176	-70.6	174.1	-172.5	-117.5	2.8	112.9	L167 I217 D218 L219	L167-R221 HydrophobicContact CD2-CG 3.51Å; I217-R221 WeakPolarHBondContact O-CG 3.5Å; I217-R221 PolarHBondContact O-N 3.42Å; D218-R221 WeakPolarHBondContact O-CB 3.22Å; D218-R221 PolarHBondContact O-N 2.81Å; D218-R221 VanDerWaalsContact O-N 3.16Å; D218-R221 IonicContact OD1-NE 2.71Å; L219-R221 VanDerWaalsContact C-N 3.26Å; L219-R221 PolarHBondContact O-N 2.85Å
222	I	97.3	Very high	92.4	Very high	22 Å²	22	40.6 Å²	40.6	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-87.6	-22	-178.4	65.6	162	0	0	0	112.9	D218 L219 Y273 K276 M277 L280	D218-I222 PolarHBondContact O-N 2.94Å; D218-I222 VanDerWaalsContact O-N 3.16Å; L219-I222 HydrophobicContact CD2-CD1 4.22Å; L219-I222 WeakPolarHBondContact O-CG1 3.39Å; L219-I222 PolarHBondContact O-N 3.22Å; L219-I222 VanDerWaalsContact O-N 3.17Å; I222-Y273 HydrophobicContact CD1-CD2 4.05Å; I222-Y273 HydrophobicContact CD1-CE2 3.62Å; I222-Y273 HydrophobicContact CG1-CD2 4.05Å; I222-Y273 HydrophobicContact CG1-CE2 3.76Å; I222-K276 HydrophobicContact CB-CB 3.83Å; I222-K276 HydrophobicContact CB-CD 4.04Å; I222-K276 HydrophobicContact CD1-CB 4.29Å; I222-K276 HydrophobicContact CG2-CB 3.85Å; I222-K276 HydrophobicContact CG2-CD 4.23Å; I222-M277 HydrophobicContact CD1-CB 4.08Å; I222-L280 HydrophobicContact CD1-CD2 3.87Å; I222-L280 HydrophobicContact CG1-CD2 4.44Å
223	N	96.9	Very high	91.7	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	21%	0.205	C	C	.	.	S	Bend	trans	-54.4	141.7	169.7	-89.3	12.5	0	0	0	111.1	Q153 A154 E163 L219 P225 Y273	Q153-N223 PolarHBondContact NE2-ND2 2.98Å; A154-N223 PolarHBondContact O-ND2 3.29Å; A154-N223 VanDerWaalsContact O-ND2 3.08Å; E163-N223 HydrophobicContact CG-CB 3.95Å; E163-N223 PolarHBondContact OE1-ND2 3.14Å; L219-N223 PolarHBondContact O-N 3.01Å; L219-N223 PolarHBondContact O-OD1 3Å; N223-P225 WeakPolarHBondContact O-CD 3.34Å; N223-Y273 WeakPolarHBondContact OD1-CE2 3.14Å
224	T	93.8	Very high	91.2	Very high	22 Å²	22	47.8 Å²	47.8	14%	0.135	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-76.9	128.1	167.9	-59.1	0	0	0	0	108.6	Q153 K228 R229 E270	Q153-T224 PolarHBondContact NE2-O 3.19Å; Q153-T224 PolarHBondContact OE1-O 3.19Å; T224-K228 HydrophobicContact CG2-CB 3.77Å; T224-R229 HydrophobicContact CG2-CG 3.67Å; T224-R229 WeakPolarHBondContact O-CD 3.43Å; T224-E270 WeakPolarHBondContact CB-OE1 3.29Å; T224-E270 WeakPolarHBondContact CG2-OE1 3.17Å; T224-E270 VanDerWaalsContact OG1-CD 3.22Å; T224-E270 PolarHBondContact OG1-OE1 3.07Å; T224-E270 PolarHBondContact OG1-OE2 2.95Å
225	P	87.6	Confident	90.9	Very high	54 Å²	54	44.1 Å²	44.1	35%	0.351	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-57.5	146	176.2	-28.7	37.4	0	0	0	113.5	N223 D227 K228 R229	N223-P225 WeakPolarHBondContact O-CD 3.34Å; P225-D227 VanDerWaalsContact C-N 3.28Å; P225-D227 WeakPolarHBondContact CB-OD1 3.02Å; P225-D227 PolarHBondContact O-N 3.38Å; P225-K228 PolarHBondContact O-N 3.26Å; P225-R229 WeakPolarHBondContact O-CG 3.36Å
226	A	83.3	Confident	90.6	Very high	21 Å²	21	44.6 Å²	44.6	17%	0.174	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.8	-32.3	-172.7	0	0	0	0	0	114.9	R161 K228 R229 K230	R161-A226 HydrophobicContact CB-CB 3.98Å; R161-A226 HydrophobicContact CG-CB 3.79Å; A226-K228 VanDerWaalsContact C-N 3.32Å; A226-R229 PolarHBondContact O-N 3.16Å; A226-K230 WeakPolarHBondContact O-CE 3.47Å
227	D	78.9	Confident	90.5	Very high	74 Å²	74	47 Å²	47	40%	0.396	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-68.1	-29	176.3	59.8	-45.8	0	0	0	112.7	P225 R229 K230 E599	P225-D227 VanDerWaalsContact C-N 3.28Å; P225-D227 WeakPolarHBondContact CB-OD1 3.02Å; P225-D227 PolarHBondContact O-N 3.38Å; D227-R229 VanDerWaalsContact C-N 3.33Å; D227-K230 WeakPolarHBondContact O-CG 3.45Å; D227-E599 HydrophobicContact CB-CG 4.36Å
228	K	85	Confident	90.4	Very high	141 Å²	141	49.9 Å²	49.9	61%	0.613	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-85.1	-5	177.1	-64.4	-173.9	-179.9	179.9	0	113.9	T224 P225 A226	T224-K228 HydrophobicContact CG2-CB 3.77Å; P225-K228 PolarHBondContact O-N 3.26Å; A226-K228 VanDerWaalsContact C-N 3.32Å
229	R	88.4	Confident	90.3	Very high	45 Å²	45	48.1 Å²	48.1	17%	0.17	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-101.7	22.3	-176.3	-65.1	171.7	53.7	89.8	10.4	113.5	D152 T224 P225 A226 D227 M235 E270	D152-R229 IonicContact OD1-CZ 3.31Å; D152-R229 VanDerWaalsContact OD1-CZ 3.26Å; D152-R229 IonicContact OD1-NH1 2.72Å; D152-R229 PolarHBondContact OD1-NH1 3.16Å; D152-R229 IonicContact OD1-NH2 2.67Å; D152-R229 PolarHBondContact OD1-NH2 2.94Å; D152-R229 IonicContact OD2-CZ 3.96Å; D152-R229 IonicContact OD2-NH2 2.76Å; D152-R229 PolarHBondContact OD2-NH2 3.3Å; T224-R229 HydrophobicContact CG2-CG 3.67Å; T224-R229 WeakPolarHBondContact O-CD 3.43Å; P225-R229 WeakPolarHBondContact O-CG 3.36Å; A226-R229 PolarHBondContact O-N 3.16Å; D227-R229 VanDerWaalsContact C-N 3.33Å; R229-M235 HydrophobicContact CB-SD 4.08Å; R229-M235 HydrophobicContact CG-CE 4.44Å; R229-M235 HydrophobicContact CG-SD 4.1Å; R229-E270 VanDerWaalsContact NH1-CG 3.3Å
230	K	82.5	Confident	90.2	Very high	45 Å²	45	50 Å²	50	20%	0.196	24%	0.239	C	C	.	.			trans	-97.1	-8.2	-173.5	-57.6	-68.3	-175.9	169.7	0	114.2	A226 D227 N600 E668	A226-K230 WeakPolarHBondContact O-CE 3.47Å; D227-K230 WeakPolarHBondContact O-CG 3.45Å; K230-N600 PolarHBondContact NZ-OD1 3.22Å; K230-E668 IonicContact NZ-OE2 2.75Å
231	D	84.5	Confident	90.1	Very high	41 Å²	41	52.3 Å²	52.3	22%	0.219	25%	0.25	C	S	.	.			trans	-97.3	99.9	177.9	179	-27.3	0	0	0	109.2	T233 K234 M235	D231-T233 VanDerWaalsContact C-N 3.29Å; D231-T233 PolarHBondContact O-N 3.3Å; D231-T233 WeakPolarHBondContact OD1-CB 3.43Å; D231-T233 PolarHBondContact OD1-N 3.29Å; D231-K234 HydrophobicContact CB-CB 4.3Å; D231-K234 HydrophobicContact CB-CD 4.26Å; D231-K234 HydrophobicContact CB-CG 4.38Å; D231-K234 PolarHBondContact O-N 3.21Å; D231-K234 PolarHBondContact OD1-N 2.85Å; D231-K234 VanDerWaalsContact OD2-CD 3.3Å; D231-K234 WeakPolarHBondContact OD2-CD 3.48Å; D231-K234 VanDerWaalsContact OD2-CE 3.25Å; D231-K234 WeakPolarHBondContact OD2-CE 3.42Å; D231-K234 WeakPolarHBondContact OD2-CG 3.47Å; D231-K234 IonicContact OD2-NZ 2.67Å; D231-K234 PolarHBondContact OD2-NZ 3.09Å; D231-M235 VanDerWaalsContact O-CG 3.27Å; D231-M235 WeakPolarHBondContact O-CG 3.41Å; D231-M235 PolarHBondContact O-N 3.4Å; D231-M235 VanDerWaalsContact O-N 3.09Å
232	H	83.4	Confident	90	Very high	21 Å²	21	48.8 Å²	48.8	10%	0.097	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-31	-170.6	-79.3	-113.2	0	0	0	112.2	E141 K234 M235 Y236 R530 E533 Y534 L540	E141-H232 IonicContact OE1-ND1 3.84Å; E141-H232 IonicContact OE2-ND1 3.48Å; H232-K234 VanDerWaalsContact C-N 3.27Å; H232-K234 PolarHBondContact O-N 2.96Å; H232-M235 CarbonylContact O-C 3.15Å; H232-M235 PolarHBondContact O-N 3.22Å; H232-M235 VanDerWaalsContact O-N 3.15Å; H232-Y236 WeakPolarHBondContact O-CB 3.12Å; H232-Y236 PolarHBondContact O-N 3.26Å; H232-R530 VanDerWaalsContact CE1-CZ 3.4Å; H232-R530 PolarHBondContact CE1-NE 2.66Å; H232-R530 PolarHBondContact CE1-NH2 3.24Å; H232-R530 VanDerWaalsContact NE2-CD 3.32Å; H232-R530 WeakPolarHBondContact NE2-CD 3.39Å; H232-R530 WeakPolarHBondContact NE2-CG 3.17Å; H232-R530 PolarHBondContact NE2-NE 3.35Å; H232-R530 VanDerWaalsContact NE2-NE 3.16Å; H232-E533 WeakPolarHBondContact CB-OE2 3.48Å; H232-E533 PolarHBondContact N-OE1 3.36Å; H232-E533 PolarHBondContact N-OE2 3.42Å; H232-Y534 HydrophobicContact CB-CE2 4.48Å; H232-Y534 AromaticContact ND1-CZ 3.95Å; H232-Y534 PolarHBondContact ND1-OH 3.36Å; H232-L540 HydrophobicContact CB-CD1 3.68Å; H232-L540 HydrophobicContact CB-CD2 4.47Å
233	T	84.2	Confident	89.9	Confident	24 Å²	24	53 Å²	53	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-38.3	173.1	-58.6	0	0	0	0	112.2	D231 E533 V542	D231-T233 VanDerWaalsContact C-N 3.29Å; D231-T233 PolarHBondContact O-N 3.3Å; D231-T233 WeakPolarHBondContact OD1-CB 3.43Å; D231-T233 PolarHBondContact OD1-N 3.29Å; T233-E533 PolarHBondContact N-OE2 3.29Å; T233-E533 PolarHBondContact OG1-OE2 3.38Å; T233-V542 HydrophobicContact CG2-CG1 4.11Å
234	K	86.6	Confident	89.9	Confident	140 Å²	140	52.6 Å²	52.6	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-77.1	-31.9	173.5	-70.5	-177.7	-175.3	123.8	0	113.5	D231 H232 Y236 N237	D231-K234 HydrophobicContact CB-CB 4.3Å; D231-K234 HydrophobicContact CB-CD 4.26Å; D231-K234 HydrophobicContact CB-CG 4.38Å; D231-K234 PolarHBondContact O-N 3.21Å; D231-K234 PolarHBondContact OD1-N 2.85Å; D231-K234 VanDerWaalsContact OD2-CD 3.3Å; D231-K234 WeakPolarHBondContact OD2-CD 3.48Å; D231-K234 VanDerWaalsContact OD2-CE 3.25Å; D231-K234 WeakPolarHBondContact OD2-CE 3.42Å; D231-K234 WeakPolarHBondContact OD2-CG 3.47Å; D231-K234 IonicContact OD2-NZ 2.67Å; D231-K234 PolarHBondContact OD2-NZ 3.09Å; H232-K234 VanDerWaalsContact C-N 3.27Å; H232-K234 PolarHBondContact O-N 2.96Å; K234-Y236 VanDerWaalsContact C-N 3.26Å; K234-Y236 PolarHBondContact O-N 3.23Å; K234-N237 PolarHBondContact O-ND2 2.75Å; K234-N237 VanDerWaalsContact O-ND2 3.12Å
235	M	91.1	Very high	89.9	Confident	14 Å²	14	54 Å²	54	7%	0.069	27%	0.274	C	S	.	.	H	α-helix	trans	-76.6	-9.9	177.7	-63.4	-58.7	120.8	0	0	113.1	R229 D231 H232 I269 E270	R229-M235 HydrophobicContact CB-SD 4.08Å; R229-M235 HydrophobicContact CG-CE 4.44Å; R229-M235 HydrophobicContact CG-SD 4.1Å; D231-M235 VanDerWaalsContact O-CG 3.27Å; D231-M235 WeakPolarHBondContact O-CG 3.41Å; D231-M235 PolarHBondContact O-N 3.4Å; D231-M235 VanDerWaalsContact O-N 3.09Å; H232-M235 CarbonylContact O-C 3.15Å; H232-M235 PolarHBondContact O-N 3.22Å; H232-M235 VanDerWaalsContact O-N 3.15Å; M235-I269 HydrophobicContact CB-CG2 4.05Å; M235-I269 HydrophobicContact CG-CG2 4.3Å; M235-I269 VanDerWaalsContact O-CA 3.3Å; M235-I269 WeakPolarHBondContact O-CA 2.9Å; M235-I269 WeakPolarHBondContact O-CD1 3.44Å; M235-I269 HydrophobicContact SD-CG2 3.79Å; M235-E270 WeakPolarHBondContact CE-OE1 3.38Å; M235-E270 HydrophobicContact SD-CG 4.28Å
236	Y	93.5	Very high	90.3	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.055	29%	0.291	C	S	.	.			trans	-95.8	106.7	177.6	-179.4	-87.1	0	0	0	111.1	D140 E141 R142 H232 K234 K238 L540	D140-Y236 WeakPolarHBondContact OD1-CE2 3.16Å; D140-Y236 PolarHBondContact OD1-OH 2.89Å; E141-Y236 HydrophobicContact CB-CD2 3.68Å; E141-Y236 HydrophobicContact CB-CE2 4Å; E141-Y236 HydrophobicContact CG-CD2 4.13Å; R142-Y236 HydrophobicContact CB-CE1 4.24Å; R142-Y236 HydrophobicContact CB-CE2 4.38Å; R142-Y236 HydrophobicContact CG-CD1 3.96Å; R142-Y236 HydrophobicContact CG-CD2 4.47Å; R142-Y236 HydrophobicContact CG-CE1 3.54Å; R142-Y236 HydrophobicContact CG-CE2 4.06Å; R142-Y236 HydrophobicContact CG-CG 4.39Å; H232-Y236 WeakPolarHBondContact O-CB 3.12Å; H232-Y236 PolarHBondContact O-N 3.26Å; K234-Y236 VanDerWaalsContact C-N 3.26Å; K234-Y236 PolarHBondContact O-N 3.23Å; Y236-K238 HydrophobicContact CE1-CB 3.73Å; Y236-K238 HydrophobicContact CE2-CB 4.43Å; Y236-K238 WeakPolarHBondContact OH-CB 3.3Å; Y236-K238 WeakPolarHBondContact OH-CD 3.43Å; Y236-L540 HydrophobicContact CG-CD2 4.12Å
237	N	95.1	Very high	90.6	Very high	49 Å²	49	55.6 Å²	55.6	26%	0.262	29%	0.289	S	S	.	.			trans	-130.3	78.5	177.1	-48.9	-92.2	0	0	0	109.5	K234 M239 N267 V268 I269 P271	K234-N237 PolarHBondContact O-ND2 2.75Å; K234-N237 VanDerWaalsContact O-ND2 3.12Å; N237-M239 HydrophobicContact CB-CE 4Å; N237-M239 PolarHBondContact O-N 3.5Å; N237-N267 PolarHBondContact N-OD1 3.28Å; N237-V268 WeakPolarHBondContact CB-O 2.98Å; N237-V268 PolarHBondContact N-O 3.07Å; N237-V268 PolarHBondContact ND2-O 3.35Å; N237-V268 PolarHBondContact O-N 2.92Å; N237-I269 PolarHBondContact ND2-O 2.82Å; N237-P271 HydrophobicContact CB-CG 3.69Å; N237-P271 WeakPolarHBondContact ND2-CD 3.45Å
238	K	95.6	Very high	91.1	Very high	84 Å²	84	52.9 Å²	52.9	37%	0.365	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.1	172	-176.8	170.1	-177.2	170.3	0	110.2	D140 I148 Y236 Y265 V266	D140-K238 IonicContact OD2-NZ 2.71Å; D140-K238 PolarHBondContact OD2-NZ 3.12Å; I148-K238 HydrophobicContact CD1-CD 4.1Å; I148-K238 HydrophobicContact CD1-CG 4.23Å; Y236-K238 HydrophobicContact CE1-CB 3.73Å; Y236-K238 HydrophobicContact CE2-CB 4.43Å; Y236-K238 WeakPolarHBondContact OH-CB 3.3Å; Y236-K238 WeakPolarHBondContact OH-CD 3.43Å; K238-Y265 HydrophobicContact CG-CD1 4.29Å; K238-Y265 HydrophobicContact CG-CG 4.43Å; K238-V266 WeakPolarHBondContact CA-O 3.2Å
239	M	95.5	Very high	91.3	Very high	22 Å²	22	53.4 Å²	53.4	11%	0.108	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.1	-178.1	64.9	-175.1	67.2	0	0	111.2	N237 E243 L244 Y265 V266 V268 P271	N237-M239 HydrophobicContact CB-CE 4Å; N237-M239 PolarHBondContact O-N 3.5Å; M239-E243 WeakPolarHBondContact CA-OE2 3.49Å; M239-E243 HydrophobicContact CB-CB 3.94Å; M239-L244 HydrophobicContact CG-CB 4.17Å; M239-L244 HydrophobicContact SD-CB 3.73Å; M239-L244 HydrophobicContact SD-CD1 3.97Å; M239-L244 HydrophobicContact SD-CG 4.4Å; M239-Y265 WeakPolarHBondContact O-CA 3.5Å; M239-V266 HydrophobicContact CG-CG2 4.14Å; M239-V266 PolarHBondContact N-O 3.34Å; M239-V266 PolarHBondContact O-N 3.47Å; M239-V268 HydrophobicContact CE-CB 3.72Å; M239-V268 HydrophobicContact CE-CG1 4.45Å; M239-V268 HydrophobicContact CE-CG2 3.74Å; M239-V268 HydrophobicContact CG-CG2 4.04Å; M239-V268 HydrophobicContact SD-CB 4.27Å; M239-V268 HydrophobicContact SD-CG2 3.6Å; M239-V268 VanDerWaalsContact SD-CG2 3.6Å; M239-P271 HydrophobicContact CE-CB 4.49Å; M239-P271 HydrophobicContact CE-CG 4.05Å
240	T	96.7	Very high	91.6	Very high	42 Å²	42	55.9 Å²	55.9	26%	0.258	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	160.3	170.3	61.7	0	0	0	0	110.7	S242 E243 L244 Y265	T240-S242 PolarHBondContact O-N 3.38Å; T240-E243 WeakPolarHBondContact CB-OE2 3.44Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.16Å; T240-E243 PolarHBondContact N-OE2 3.2Å; T240-E243 PolarHBondContact O-N 2.98Å; T240-E243 WeakPolarHBondContact OG1-CB 3.3Å; T240-E243 VanDerWaalsContact OG1-CD 3.32Å; T240-E243 VanDerWaalsContact OG1-CG 3.25Å; T240-E243 WeakPolarHBondContact OG1-CG 3.33Å; T240-E243 PolarHBondContact OG1-N 3.42Å; T240-E243 PolarHBondContact OG1-OE2 3.18Å; T240-L244 PolarHBondContact O-N 3.42Å; T240-Y265 HydrophobicContact CG2-CD1 4.03Å; T240-Y265 HydrophobicContact CG2-CE1 3.63Å
241	I	94.6	Very high	92.2	Very high	49 Å²	49	53.7 Å²	53.7	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-37.3	174	-59.2	-179.6	0	0	0	111.2	L244 Q245 L257 L263	I241-L244 PolarHBondContact O-N 3.47Å; I241-Q245 WeakPolarHBondContact O-CB 3.06Å; I241-Q245 PolarHBondContact O-N 3.43Å; I241-L257 HydrophobicContact CB-CD1 4.48Å; I241-L257 HydrophobicContact CD1-CD1 4.11Å; I241-L257 HydrophobicContact CG1-CD1 3.86Å; I241-L257 HydrophobicContact CG2-CD1 4.08Å; I241-L263 HydrophobicContact CD1-CD1 4.03Å; I241-L263 WeakPolarHBondContact CD1-O 3.36Å; I241-L263 HydrophobicContact CG1-CD1 4.18Å
242	S	95.1	Very high	92.7	Very high	94 Å²	94	54.5 Å²	54.5	66%	0.657	30%	0.295	S	S	*	.	H	α-helix	trans	-66.3	-40.9	178.3	-172.8	0	0	0	0	112.6	T240 Q245 A246	T240-S242 PolarHBondContact O-N 3.38Å; S242-Q245 PolarHBondContact O-N 2.9Å; S242-A246 PolarHBondContact O-N 3.36Å; S242-A246 VanDerWaalsContact O-N 3.1Å
243	E	96.3	Very high	93.4	Very high	109 Å²	109	53.5 Å²	53.5	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-66.9	-40.9	176.3	-74.7	163.8	142.4	0	0	111.2	M239 T240 Q245 A246	M239-E243 WeakPolarHBondContact CA-OE2 3.49Å; M239-E243 HydrophobicContact CB-CB 3.94Å; T240-E243 WeakPolarHBondContact CB-OE2 3.44Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.16Å; T240-E243 PolarHBondContact N-OE2 3.2Å; T240-E243 PolarHBondContact O-N 2.98Å; T240-E243 WeakPolarHBondContact OG1-CB 3.3Å; T240-E243 VanDerWaalsContact OG1-CD 3.32Å; T240-E243 VanDerWaalsContact OG1-CG 3.25Å; T240-E243 WeakPolarHBondContact OG1-CG 3.33Å; T240-E243 PolarHBondContact OG1-N 3.42Å; T240-E243 PolarHBondContact OG1-OE2 3.18Å; E243-Q245 VanDerWaalsContact C-N 3.35Å; E243-A246 WeakPolarHBondContact O-CB 3.1Å; E243-A246 PolarHBondContact O-N 3.15Å
244	L	96.2	Very high	93.8	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-44.2	173.8	178.5	54.1	0	0	0	111.2	L151 M239 T240 I241 A246 T247 W253 L257 V266 V268 I274	L151-L244 HydrophobicContact CD1-CD2 3.69Å; M239-L244 HydrophobicContact CG-CB 4.17Å; M239-L244 HydrophobicContact SD-CB 3.73Å; M239-L244 HydrophobicContact SD-CD1 3.97Å; M239-L244 HydrophobicContact SD-CG 4.4Å; T240-L244 PolarHBondContact O-N 3.42Å; I241-L244 PolarHBondContact O-N 3.47Å; L244-A246 PolarHBondContact O-N 3.15Å; L244-T247 WeakPolarHBondContact O-CB 2.9Å; L244-T247 PolarHBondContact O-N 3.42Å; L244-T247 PolarHBondContact O-OG1 2.91Å; L244-W253 HydrophobicContact CD1-CD2 4.05Å; L244-W253 HydrophobicContact CD1-CG 4.34Å; L244-W253 HydrophobicContact CD1-CZ2 3.98Å; L244-W253 HydrophobicContact CD2-CB 4.24Å; L244-W253 HydrophobicContact CD2-CD2 3.5Å; L244-W253 HydrophobicContact CD2-CE3 3.64Å; L244-W253 HydrophobicContact CD2-CG 3.8Å; L244-W253 HydrophobicContact CD2-CZ3 4.21Å; L244-W253 HydrophobicContact CG-CB 4.22Å; L244-W253 HydrophobicContact CG-CD2 3.61Å; L244-W253 HydrophobicContact CG-CE3 4.27Å; L244-W253 HydrophobicContact CG-CG 3.57Å; L244-W253 HydrophobicContact CG-CZ2 4.46Å; L244-L257 HydrophobicContact CD2-CD1 4.42Å; L244-V266 HydrophobicContact CD2-CG2 3.81Å; L244-V268 HydrophobicContact CD1-CG2 4.03Å; L244-V268 HydrophobicContact CD2-CG2 4.48Å; L244-I274 HydrophobicContact CD1-CG2 4.27Å
245	Q	94.8	Very high	94.3	Very high	52 Å²	52	51.5 Å²	51.5	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-28.6	176.8	-168.4	60.1	72.6	0	0	112.8	I241 S242 E243 T247 G248 F251	I241-Q245 WeakPolarHBondContact O-CB 3.06Å; I241-Q245 PolarHBondContact O-N 3.43Å; S242-Q245 PolarHBondContact O-N 2.9Å; E243-Q245 VanDerWaalsContact C-N 3.35Å; Q245-T247 PolarHBondContact O-N 3.26Å; Q245-G248 PolarHBondContact NE2-O 2.87Å; Q245-F251 PolarHBondContact NE2-O 3.14Å
246	A	94.3	Very high	94.6	Very high	87 Å²	87	50.9 Å²	50.9	72%	0.719	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-9	176.6	0	0	0	0	0	113.8	S242 E243 L244 G248	S242-A246 PolarHBondContact O-N 3.36Å; S242-A246 VanDerWaalsContact O-N 3.1Å; E243-A246 WeakPolarHBondContact O-CB 3.1Å; E243-A246 PolarHBondContact O-N 3.15Å; L244-A246 PolarHBondContact O-N 3.15Å; A246-G248 VanDerWaalsContact C-N 3.32Å
247	T	91.2	Very high	94.7	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.129	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.6	178.2	64.2	0	0	0	0	113.7	L244 Q245 I274 R275	L244-T247 WeakPolarHBondContact O-CB 2.9Å; L244-T247 PolarHBondContact O-N 3.42Å; L244-T247 PolarHBondContact O-OG1 2.91Å; Q245-T247 PolarHBondContact O-N 3.26Å; T247-I274 VanDerWaalsContact OG1-CG2 3.25Å; T247-I274 WeakPolarHBondContact OG1-CG2 3.06Å; T247-R275 WeakPolarHBondContact O-CG 3.45Å
248	G	89.2	Confident	94.8	Very high	17 Å²	17	53.7 Å²	53.7	18%	0.175	30%	0.303	C	S	.	.			trans	178.9	159.1	178.5	0	0	0	0	0	112.2	Q245 A246	Q245-G248 PolarHBondContact NE2-O 2.87Å; A246-G248 VanDerWaalsContact C-N 3.32Å
249	N	88.3	Confident	94.7	Very high	151 Å²	151	54.1 Å²	54.1	81%	0.807	31%	0.305	S	S	*	.	S	Bend	trans	-110	-2.6	-172.7	65.7	-11.6	0	0	0	114.4
250	K	94.1	Very high	94.8	Very high	97 Å²	97	53.8 Å²	53.8	42%	0.422	30%	0.302	S	S	.	.	S	Bend	trans	-86.5	-33.5	-177.3	-176.3	60.1	178.3	-176.5	0	112.8	N278 L281 S282	K250-N278 HydrophobicContact CB-CB 4.32Å; K250-N278 PolarHBondContact N-OD1 3.17Å; K250-L281 WeakPolarHBondContact CE-O 3.47Å; K250-L281 HydrophobicContact CG-CB 3.69Å; K250-S282 WeakPolarHBondContact CB-OG 3.35Å; K250-S282 WeakPolarHBondContact CG-OG 3.5Å
251	F	96.1	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-107.9	115.6	176.3	-164.6	-87.8	0	0	0	110	L116 E117 V120 I132 Q245 W253 F256 M277 N278 L281	L116-F251 HydrophobicContact CD2-CD2 4.32Å; L116-F251 HydrophobicContact CG-CE2 4.37Å; E117-F251 HydrophobicContact CB-CE1 4.21Å; E117-F251 HydrophobicContact CB-CE2 4.26Å; E117-F251 HydrophobicContact CB-CZ 3.96Å; E117-F251 HydrophobicContact CG-CD1 3.88Å; E117-F251 HydrophobicContact CG-CD2 3.78Å; E117-F251 HydrophobicContact CG-CE1 3.82Å; E117-F251 HydrophobicContact CG-CE2 3.71Å; E117-F251 HydrophobicContact CG-CG 3.87Å; E117-F251 HydrophobicContact CG-CZ 3.74Å; V120-F251 HydrophobicContact CB-CE2 4.48Å; V120-F251 HydrophobicContact CB-CZ 4.36Å; V120-F251 HydrophobicContact CG1-CZ 4.43Å; V120-F251 HydrophobicContact CG2-CE2 4.29Å; I132-F251 HydrophobicContact CD1-CD2 4.4Å; I132-F251 HydrophobicContact CD1-CE2 4.07Å; Q245-F251 PolarHBondContact NE2-O 3.14Å; F251-W253 AromaticContact CD1-CD2 3.87Å; F251-W253 HydrophobicContact CD1-CD2 3.87Å; F251-W253 AromaticContact CD1-CE2 3.88Å; F251-W253 HydrophobicContact CD1-CE3 4.05Å; F251-W253 HydrophobicContact CD1-CG 4.38Å; F251-W253 HydrophobicContact CD1-CH2 4.27Å; F251-W253 HydrophobicContact CD1-CZ2 4.08Å; F251-W253 HydrophobicContact CD1-CZ3 4.24Å; F251-W253 HydrophobicContact CE1-CD2 4.17Å; F251-W253 AromaticContact CE1-CE3 3.86Å; F251-W253 HydrophobicContact CE1-CE3 3.86Å; F251-W253 HydrophobicContact CE1-CH2 4.2Å; F251-W253 HydrophobicContact CE1-CZ2 4.47Å; F251-W253 AromaticContact CE1-CZ3 3.87Å; F251-W253 HydrophobicContact CE1-CZ3 3.87Å; F251-W253 PolarHBondContact O-N 3.11Å; F251-F256 HydrophobicContact CE1-CB 3.75Å; F251-F256 HydrophobicContact CE1-CD2 4.12Å; F251-F256 AromaticContact CE1-CG 3.93Å; F251-F256 HydrophobicContact CE1-CG 3.93Å; F251-F256 HydrophobicContact CZ-CB 4.21Å; F251-F256 AromaticContact CZ-CD2 3.89Å; F251-F256 HydrophobicContact CZ-CD2 3.89Å; F251-F256 HydrophobicContact CZ-CG 4.19Å; F251-M277 HydrophobicContact CB-CE 4.3Å; F251-M277 HydrophobicContact CD2-CE 4.48Å; F251-M277 HydrophobicContact CG-CE 4.25Å; F251-N278 PolarHBondContact N-OD1 3.48Å; F251-L281 HydrophobicContact CB-CD1 4.44Å; F251-L281 HydrophobicContact CD2-CD1 4.13Å
252	N	95.6	Very high	94.6	Very high	58 Å²	58	60.1 Å²	60.1	31%	0.31	33%	0.334	S	S	.	.			trans	-81.4	98	178.5	-171	-33.7	0	0	0	111.7	E117 S254 I255 F256	E117-N252 HydrophobicContact CG-CB 4.22Å; E117-N252 WeakPolarHBondContact CG-O 3.46Å; E117-N252 WeakPolarHBondContact OE1-CB 3.47Å; E117-N252 PolarHBondContact OE1-N 3.17Å; N252-S254 VanDerWaalsContact C-N 3.26Å; N252-S254 PolarHBondContact O-N 2.99Å; N252-S254 WeakPolarHBondContact OD1-CB 3.37Å; N252-S254 PolarHBondContact OD1-N 3.37Å; N252-I255 HydrophobicContact CB-CB 4.31Å; N252-I255 HydrophobicContact CB-CD1 3.94Å; N252-I255 HydrophobicContact CB-CG1 4.16Å; N252-I255 WeakPolarHBondContact ND2-CD1 3.45Å; N252-I255 PolarHBondContact O-N 3.19Å; N252-I255 PolarHBondContact OD1-N 3.35Å; N252-I255 VanDerWaalsContact OD1-N 3.15Å; N252-F256 PolarHBondContact O-N 2.88Å
253	W	96.5	Very high	94.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-29.6	-179.8	-70	105	0	0	0	113.7	I133 L151 L244 F251 I255 F256 L257 I274 M277	I133-W253 HydrophobicContact CD1-CH2 3.76Å; I133-W253 HydrophobicContact CG1-CH2 3.98Å; I133-W253 HydrophobicContact CG1-CZ3 4.43Å; L151-W253 HydrophobicContact CD1-CE3 4.11Å; L151-W253 HydrophobicContact CD1-CH2 4.07Å; L151-W253 HydrophobicContact CD1-CZ3 3.56Å; L244-W253 HydrophobicContact CD1-CD2 4.05Å; L244-W253 HydrophobicContact CD1-CG 4.34Å; L244-W253 HydrophobicContact CD1-CZ2 3.98Å; L244-W253 HydrophobicContact CD2-CB 4.24Å; L244-W253 HydrophobicContact CD2-CD2 3.5Å; L244-W253 HydrophobicContact CD2-CE3 3.64Å; L244-W253 HydrophobicContact CD2-CG 3.8Å; L244-W253 HydrophobicContact CD2-CZ3 4.21Å; L244-W253 HydrophobicContact CG-CB 4.22Å; L244-W253 HydrophobicContact CG-CD2 3.61Å; L244-W253 HydrophobicContact CG-CE3 4.27Å; L244-W253 HydrophobicContact CG-CG 3.57Å; L244-W253 HydrophobicContact CG-CZ2 4.46Å; F251-W253 AromaticContact CD1-CD2 3.87Å; F251-W253 HydrophobicContact CD1-CD2 3.87Å; F251-W253 AromaticContact CD1-CE2 3.88Å; F251-W253 HydrophobicContact CD1-CE3 4.05Å; F251-W253 HydrophobicContact CD1-CG 4.38Å; F251-W253 HydrophobicContact CD1-CH2 4.27Å; F251-W253 HydrophobicContact CD1-CZ2 4.08Å; F251-W253 HydrophobicContact CD1-CZ3 4.24Å; F251-W253 HydrophobicContact CE1-CD2 4.17Å; F251-W253 AromaticContact CE1-CE3 3.86Å; F251-W253 HydrophobicContact CE1-CE3 3.86Å; F251-W253 HydrophobicContact CE1-CH2 4.2Å; F251-W253 HydrophobicContact CE1-CZ2 4.47Å; F251-W253 AromaticContact CE1-CZ3 3.87Å; F251-W253 HydrophobicContact CE1-CZ3 3.87Å; F251-W253 PolarHBondContact O-N 3.11Å; W253-I255 VanDerWaalsContact C-N 3.35Å; W253-F256 HydrophobicContact CE3-CB 4.49Å; W253-F256 AromaticContact CE3-CD1 3.91Å; W253-F256 HydrophobicContact CE3-CD1 3.91Å; W253-F256 HydrophobicContact CE3-CG 4.41Å; W253-F256 AromaticContact CZ3-CD1 3.94Å; W253-F256 HydrophobicContact CZ3-CD1 3.94Å; W253-F256 HydrophobicContact CZ3-CE1 4.19Å; W253-F256 PolarHBondContact O-N 3.32Å; W253-L257 VanDerWaalsContact O-CB 3.31Å; W253-L257 WeakPolarHBondContact O-CB 3.42Å; W253-L257 VanDerWaalsContact O-CG 3.25Å; W253-L257 WeakPolarHBondContact O-CG 3.26Å; W253-L257 PolarHBondContact O-N 3.47Å; W253-I274 HydrophobicContact CH2-CD1 4.02Å; W253-I274 HydrophobicContact CZ2-CD1 3.88Å; W253-I274 HydrophobicContact CZ2-CG1 4.47Å; W253-I274 HydrophobicContact CZ2-CG2 3.63Å; W253-M277 HydrophobicContact CH2-CE 4.46Å; W253-M277 HydrophobicContact CZ2-CE 4.07Å
254	S	94.4	Very high	94.4	Very high	64 Å²	64	57.7 Å²	57.7	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-65.9	-40.4	177.1	-57.2	0	0	0	0	111.1	N252 D258	N252-S254 VanDerWaalsContact C-N 3.26Å; N252-S254 PolarHBondContact O-N 2.99Å; N252-S254 WeakPolarHBondContact OD1-CB 3.37Å; N252-S254 PolarHBondContact OD1-N 3.37Å; S254-D258 VanDerWaalsContact O-CB 3.27Å; S254-D258 WeakPolarHBondContact O-CB 2.99Å; S254-D258 PolarHBondContact O-N 2.98Å
255	I	95.6	Very high	94.4	Very high	58 Å²	58	63.2 Å²	63.2	30%	0.297	34%	0.339	S	S	.	.	H	α-helix	trans	-66.5	-40.5	175.6	-65.2	175.8	0	0	0	111.1	P115 E117 S118 N252 W253	P115-I255 HydrophobicContact CB-CG2 4.48Å; E117-I255 HydrophobicContact CB-CB 4.12Å; E117-I255 HydrophobicContact CB-CG2 3.93Å; S118-I255 VanDerWaalsContact OG-CG2 3.23Å; S118-I255 WeakPolarHBondContact OG-CG2 3.36Å; N252-I255 HydrophobicContact CB-CB 4.31Å; N252-I255 HydrophobicContact CB-CD1 3.94Å; N252-I255 HydrophobicContact CB-CG1 4.16Å; N252-I255 WeakPolarHBondContact ND2-CD1 3.45Å; N252-I255 PolarHBondContact O-N 3.19Å; N252-I255 PolarHBondContact OD1-N 3.35Å; N252-I255 VanDerWaalsContact OD1-N 3.15Å; W253-I255 VanDerWaalsContact C-N 3.35Å
256	F	97.1	Very high	94.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.5	-52.1	176.8	177.5	-100.6	0	0	0	111.8	E117 V120 A121 I133 P135 L151 F251 N252 W253 D258 K259 F260	E117-F256 HydrophobicContact CB-CB 4.08Å; E117-F256 WeakPolarHBondContact O-CD2 3.27Å; V120-F256 HydrophobicContact CB-CE2 4.42Å; V120-F256 HydrophobicContact CG1-CD2 4.4Å; V120-F256 HydrophobicContact CG1-CE2 3.92Å; A121-F256 HydrophobicContact CB-CD2 3.66Å; A121-F256 HydrophobicContact CB-CE2 3.78Å; A121-F256 HydrophobicContact CB-CG 4.46Å; I133-F256 HydrophobicContact CG2-CE2 4.1Å; I133-F256 HydrophobicContact CG2-CZ 4.03Å; P135-F256 HydrophobicContact CB-CZ 4.42Å; P135-F256 HydrophobicContact CG-CZ 4.35Å; L151-F256 HydrophobicContact CD2-CE1 3.92Å; L151-F256 HydrophobicContact CD2-CZ 4.47Å; F251-F256 HydrophobicContact CE1-CB 3.75Å; F251-F256 HydrophobicContact CE1-CD2 4.12Å; F251-F256 AromaticContact CE1-CG 3.93Å; F251-F256 HydrophobicContact CE1-CG 3.93Å; F251-F256 HydrophobicContact CZ-CB 4.21Å; F251-F256 AromaticContact CZ-CD2 3.89Å; F251-F256 HydrophobicContact CZ-CD2 3.89Å; F251-F256 HydrophobicContact CZ-CG 4.19Å; N252-F256 PolarHBondContact O-N 2.88Å; W253-F256 HydrophobicContact CE3-CB 4.49Å; W253-F256 AromaticContact CE3-CD1 3.91Å; W253-F256 HydrophobicContact CE3-CD1 3.91Å; W253-F256 HydrophobicContact CE3-CG 4.41Å; W253-F256 AromaticContact CZ3-CD1 3.94Å; W253-F256 HydrophobicContact CZ3-CD1 3.94Å; W253-F256 HydrophobicContact CZ3-CE1 4.19Å; W253-F256 PolarHBondContact O-N 3.32Å; F256-D258 PolarHBondContact O-N 2.98Å; F256-K259 PolarHBondContact O-N 3.32Å; F256-F260 AromaticContact CD1-CE2 3.95Å; F256-F260 HydrophobicContact CD1-CE2 3.95Å; F256-F260 HydrophobicContact CD2-CE2 4.44Å; F256-F260 HydrophobicContact CE1-CD2 4.44Å; F256-F260 AromaticContact CE1-CE2 3.5Å; F256-F260 HydrophobicContact CE1-CE2 3.5Å; F256-F260 AromaticContact CE1-CZ 3.68Å; F256-F260 HydrophobicContact CE1-CZ 3.68Å; F256-F260 HydrophobicContact CE2-CE2 4.03Å; F256-F260 HydrophobicContact CE2-CZ 4.21Å; F256-F260 HydrophobicContact CG-CE2 4.39Å; F256-F260 AromaticContact CZ-CE2 3.56Å; F256-F260 HydrophobicContact CZ-CE2 3.56Å; F256-F260 AromaticContact CZ-CZ 3.48Å; F256-F260 HydrophobicContact CZ-CZ 3.48Å; F256-F260 VanDerWaalsContact CZ-CZ 3.48Å; F256-F260 WeakPolarHBondContact O-CD2 3.22Å; F256-F260 WeakPolarHBondContact O-CE2 3.49Å
257	L	96.9	Very high	94.7	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-74.8	-22.1	-172.9	-65.2	173.8	0	0	0	113.5	L149 I241 L244 W253 K259 F260 L263 V266	L149-L257 HydrophobicContact CD2-CD2 3.59Å; I241-L257 HydrophobicContact CB-CD1 4.48Å; I241-L257 HydrophobicContact CD1-CD1 4.11Å; I241-L257 HydrophobicContact CG1-CD1 3.86Å; I241-L257 HydrophobicContact CG2-CD1 4.08Å; L244-L257 HydrophobicContact CD2-CD1 4.42Å; W253-L257 VanDerWaalsContact O-CB 3.31Å; W253-L257 WeakPolarHBondContact O-CB 3.42Å; W253-L257 VanDerWaalsContact O-CG 3.25Å; W253-L257 WeakPolarHBondContact O-CG 3.26Å; W253-L257 PolarHBondContact O-N 3.47Å; L257-K259 PolarHBondContact O-N 3.2Å; L257-K259 VanDerWaalsContact O-N 3.1Å; L257-F260 WeakPolarHBondContact O-CB 3.35Å; L257-F260 PolarHBondContact O-N 3.45Å; L257-L263 HydrophobicContact CD1-CD1 4.47Å; L257-L263 HydrophobicContact CD2-CD2 4.39Å; L257-V266 HydrophobicContact CD1-CG1 4.31Å; L257-V266 HydrophobicContact CD2-CG1 4.21Å
258	D	95.8	Very high	94.9	Very high	113 Å²	113	55.7 Å²	55.7	60%	0.604	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.7	172	176.9	73.1	0	0	0	113.2	S254 F256	S254-D258 VanDerWaalsContact O-CB 3.27Å; S254-D258 WeakPolarHBondContact O-CB 2.99Å; S254-D258 PolarHBondContact O-N 2.98Å; F256-D258 PolarHBondContact O-N 2.98Å
259	K	95.3	Very high	95.2	Very high	93 Å²	93	55.2 Å²	55.2	40%	0.404	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.3	176.9	-52	-52.5	167.8	-146.2	0	114	A121 L125 F256 L257	A121-K259 HydrophobicContact CB-CB 3.88Å; A121-K259 HydrophobicContact CB-CG 3.89Å; L125-K259 HydrophobicContact CD1-CB 3.67Å; L125-K259 WeakPolarHBondContact CD1-O 3.38Å; F256-K259 PolarHBondContact O-N 3.32Å; L257-K259 PolarHBondContact O-N 3.2Å; L257-K259 VanDerWaalsContact O-N 3.1Å
260	F	96.1	Very high	95.5	Very high	14 Å²	14	49.1 Å²	49.1	6%	0.061	25%	0.248	C	C	.	.	S	Bend	trans	-94.8	174.2	-178.5	-67.4	-107.6	0	0	0	110.8	A121 W124 L125 P135 L149 F256 L257 L263 N460 I463	A121-F260 HydrophobicContact CB-CE2 4.03Å; W124-F260 HydrophobicContact CE3-CD1 4.44Å; W124-F260 AromaticContact CE3-CE1 3.46Å; W124-F260 HydrophobicContact CE3-CE1 3.46Å; W124-F260 VanDerWaalsContact CE3-CE1 3.46Å; W124-F260 AromaticContact CE3-CZ 3.74Å; W124-F260 HydrophobicContact CE3-CZ 3.74Å; W124-F260 HydrophobicContact CH2-CE1 4.03Å; W124-F260 AromaticContact CZ3-CD1 3.8Å; W124-F260 HydrophobicContact CZ3-CD1 3.8Å; W124-F260 AromaticContact CZ3-CE1 3.14Å; W124-F260 HydrophobicContact CZ3-CE1 3.14Å; W124-F260 AromaticContact CZ3-CZ 3.92Å; W124-F260 HydrophobicContact CZ3-CZ 3.92Å; L125-F260 HydrophobicContact CD1-CD2 4.48Å; L125-F260 HydrophobicContact CD1-CE2 4.46Å; P135-F260 HydrophobicContact CB-CE1 4.1Å; P135-F260 HydrophobicContact CB-CZ 4.12Å; P135-F260 HydrophobicContact CG-CZ 4.34Å; L149-F260 HydrophobicContact CD1-CD1 3.96Å; L149-F260 HydrophobicContact CD1-CE1 3.79Å; L149-F260 HydrophobicContact CD2-CD1 3.8Å; L149-F260 HydrophobicContact CD2-CE1 4.02Å; L149-F260 HydrophobicContact CD2-CG 4.19Å; F256-F260 AromaticContact CD1-CE2 3.95Å; F256-F260 HydrophobicContact CD1-CE2 3.95Å; F256-F260 HydrophobicContact CD2-CE2 4.44Å; F256-F260 HydrophobicContact CE1-CD2 4.44Å; F256-F260 AromaticContact CE1-CE2 3.5Å; F256-F260 HydrophobicContact CE1-CE2 3.5Å; F256-F260 AromaticContact CE1-CZ 3.68Å; F256-F260 HydrophobicContact CE1-CZ 3.68Å; F256-F260 HydrophobicContact CE2-CE2 4.03Å; F256-F260 HydrophobicContact CE2-CZ 4.21Å; F256-F260 HydrophobicContact CG-CE2 4.39Å; F256-F260 AromaticContact CZ-CE2 3.56Å; F256-F260 HydrophobicContact CZ-CE2 3.56Å; F256-F260 AromaticContact CZ-CZ 3.48Å; F256-F260 HydrophobicContact CZ-CZ 3.48Å; F256-F260 VanDerWaalsContact CZ-CZ 3.48Å; F256-F260 WeakPolarHBondContact O-CD2 3.22Å; F256-F260 WeakPolarHBondContact O-CE2 3.49Å; L257-F260 WeakPolarHBondContact O-CB 3.35Å; L257-F260 PolarHBondContact O-N 3.45Å; F260-L263 HydrophobicContact CB-CD2 4.19Å; F260-N460 WeakPolarHBondContact CA-OD1 3.2Å; F260-N460 WeakPolarHBondContact CB-OD1 3.27Å; F260-N460 WeakPolarHBondContact CD1-OD1 3.14Å; F260-I463 HydrophobicContact CB-CD1 4.47Å; F260-I463 HydrophobicContact CD1-CD1 4.37Å
261	R	94.7	Very high	95.5	Very high	101 Å²	101	45.7 Å²	45.7	38%	0.381	24%	0.235	S	C	.	.	S	Bend	trans	-60	145.9	167.4	-69	-66.2	-68.6	-155.1	-2.7	109.6	L263 D432 N460 I463	R261-L263 WeakPolarHBondContact O-CD2 3.47Å; R261-L263 PolarHBondContact O-N 2.89Å; R261-D432 IonicContact NH1-OD1 3.26Å; R261-D432 PolarHBondContact NH1-OD1 3.23Å; R261-N460 WeakPolarHBondContact CG-O 3.48Å; R261-N460 PolarHBondContact N-OD1 3.12Å; R261-I463 HydrophobicContact CB-CB 4.29Å; R261-I463 HydrophobicContact CB-CD1 4.38Å
262	P	93.8	Very high	95.5	Very high	123 Å²	123	49.9 Å²	49.9	80%	0.799	26%	0.255	S	S	*	.			trans	-51	131.7	176.5	-27.8	34.9	0	0	0	111.8
263	L	94.9	Very high	95.5	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.115	24%	0.24	C	C	.	.			trans	-148.3	144.4	-175.3	63.3	94.8	0	0	0	110.4	L149 I241 L257 F260 R261 V266 I463	L149-L263 HydrophobicContact CB-CD2 4.25Å; L149-L263 HydrophobicContact CD2-CD2 3.7Å; I241-L263 HydrophobicContact CD1-CD1 4.03Å; I241-L263 WeakPolarHBondContact CD1-O 3.36Å; I241-L263 HydrophobicContact CG1-CD1 4.18Å; L257-L263 HydrophobicContact CD1-CD1 4.47Å; L257-L263 HydrophobicContact CD2-CD2 4.39Å; F260-L263 HydrophobicContact CB-CD2 4.19Å; R261-L263 WeakPolarHBondContact O-CD2 3.47Å; R261-L263 PolarHBondContact O-N 2.89Å; L263-V266 HydrophobicContact CD1-CG1 3.44Å; L263-V266 VanDerWaalsContact CD1-CG1 3.44Å; L263-I463 HydrophobicContact CB-CG2 4.07Å; L263-I463 HydrophobicContact CD2-CD1 4.4Å
264	D	92	Very high	95.6	Very high	131 Å²	131	47.2 Å²	47.2	70%	0.701	24%	0.24	S	C	*	.	S	Bend	trans	-96.3	-28.2	177.7	-59.7	-53.6	0	0	0	112.3
265	Y	95.8	Very high	95.7	Very high	116 Å²	116	50.1 Å²	50.1	46%	0.455	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	-173.7	-59.3	-83.5	0	0	0	111.2	K238 M239 T240	K238-Y265 HydrophobicContact CG-CD1 4.29Å; K238-Y265 HydrophobicContact CG-CG 4.43Å; M239-Y265 WeakPolarHBondContact O-CA 3.5Å; T240-Y265 HydrophobicContact CG2-CD1 4.03Å; T240-Y265 HydrophobicContact CG2-CE1 3.63Å
266	V	97.4	Very high	95.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	152.5	166.9	-62.9	0	0	0	0	109.5	L149 L151 K238 M239 L244 L257 L263 V268	L149-V266 HydrophobicContact CB-CG1 4.32Å; L149-V266 HydrophobicContact CD2-CG1 4.07Å; L149-V266 HydrophobicContact CG-CG1 4.42Å; L149-V266 WeakPolarHBondContact O-CA 3.27Å; L151-V266 HydrophobicContact CD1-CB 4.45Å; L151-V266 HydrophobicContact CD1-CG2 4.28Å; K238-V266 WeakPolarHBondContact CA-O 3.2Å; M239-V266 HydrophobicContact CG-CG2 4.14Å; M239-V266 PolarHBondContact N-O 3.34Å; M239-V266 PolarHBondContact O-N 3.47Å; L244-V266 HydrophobicContact CD2-CG2 3.81Å; L257-V266 HydrophobicContact CD1-CG1 4.31Å; L257-V266 HydrophobicContact CD2-CG1 4.21Å; L263-V266 HydrophobicContact CD1-CG1 3.44Å; L263-V266 VanDerWaalsContact CD1-CG1 3.44Å; V266-V268 HydrophobicContact CG2-CG2 4.04Å
267	N	97.1	Very high	95.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.4	164.7	-178.8	29.4	0	0	0	109.1	I148 L149 V150 L151 N237	I148-N267 HydrophobicContact CD1-CB 4.37Å; I148-N267 HydrophobicContact CG2-CB 4.37Å; L149-N267 PolarHBondContact O-N 3.44Å; V150-N267 CarbonylContact C-O 3.33Å; V150-N267 VanDerWaalsContact CA-O 3.3Å; V150-N267 WeakPolarHBondContact CA-O 3.29Å; V150-N267 HydrophobicContact CG1-CB 4.35Å; V150-N267 HydrophobicContact CG2-CB 4.23Å; L151-N267 PolarHBondContact N-O 2.95Å; N237-N267 PolarHBondContact N-OD1 3.28Å
268	V	97.2	Very high	95.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.8	175.4	-179	0	0	0	0	108.8	L151 N237 M239 L244 V266 P271 I274	L151-V268 HydrophobicContact CD1-CG2 4.47Å; N237-V268 WeakPolarHBondContact CB-O 2.98Å; N237-V268 PolarHBondContact N-O 3.07Å; N237-V268 PolarHBondContact ND2-O 3.35Å; N237-V268 PolarHBondContact O-N 2.92Å; M239-V268 HydrophobicContact CE-CB 3.72Å; M239-V268 HydrophobicContact CE-CG1 4.45Å; M239-V268 HydrophobicContact CE-CG2 3.74Å; M239-V268 HydrophobicContact CG-CG2 4.04Å; M239-V268 HydrophobicContact SD-CB 4.27Å; M239-V268 HydrophobicContact SD-CG2 3.6Å; M239-V268 VanDerWaalsContact SD-CG2 3.6Å; L244-V268 HydrophobicContact CD1-CG2 4.03Å; L244-V268 HydrophobicContact CD2-CG2 4.48Å; V266-V268 HydrophobicContact CG2-CG2 4.04Å; V268-P271 HydrophobicContact CG1-CG 4.25Å; V268-I274 HydrophobicContact CG1-CD1 4.35Å; V268-I274 HydrophobicContact CG1-CG1 3.71Å
269	I	95.7	Very high	95.9	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.036	24%	0.239	C	C	.	.	S	Bend	trans	-67.5	-45.2	-175.7	-60.5	-60.5	0	0	0	111.4	V150 L151 D152 M235 N237	V150-I269 HydrophobicContact CG1-CD1 3.57Å; V150-I269 HydrophobicContact CG1-CG1 3.6Å; L151-I269 PolarHBondContact O-N 3.27Å; D152-I269 HydrophobicContact CB-CB 4.19Å; D152-I269 HydrophobicContact CB-CG1 3.91Å; D152-I269 WeakPolarHBondContact OD1-CB 3.45Å; D152-I269 WeakPolarHBondContact OD1-CG2 3.46Å; M235-I269 HydrophobicContact CB-CG2 4.05Å; M235-I269 HydrophobicContact CG-CG2 4.3Å; M235-I269 VanDerWaalsContact O-CA 3.3Å; M235-I269 WeakPolarHBondContact O-CA 2.9Å; M235-I269 WeakPolarHBondContact O-CD1 3.44Å; M235-I269 HydrophobicContact SD-CG2 3.79Å; N237-I269 PolarHBondContact ND2-O 2.82Å
270	E	93.9	Very high	96	Very high	23 Å²	23	46.1 Å²	46.1	11%	0.107	22%	0.224	C	C	.	.			trans	-132.6	88.8	-177.1	-74	-71.7	-172.5	0	0	111.4	T224 R229 M235 E272 Y273 I274	T224-E270 WeakPolarHBondContact CB-OE1 3.29Å; T224-E270 WeakPolarHBondContact CG2-OE1 3.17Å; T224-E270 VanDerWaalsContact OG1-CD 3.22Å; T224-E270 PolarHBondContact OG1-OE1 3.07Å; T224-E270 PolarHBondContact OG1-OE2 2.95Å; R229-E270 VanDerWaalsContact NH1-CG 3.3Å; M235-E270 WeakPolarHBondContact CE-OE1 3.38Å; M235-E270 HydrophobicContact SD-CG 4.28Å; E270-E272 PolarHBondContact O-N 3.15Å; E270-Y273 WeakPolarHBondContact O-CB 3Å; E270-Y273 PolarHBondContact O-N 3.18Å; E270-Y273 VanDerWaalsContact O-N 3.08Å; E270-I274 PolarHBondContact O-N 3.17Å
271	P	94.7	Very high	96	Very high	25 Å²	25	45.7 Å²	45.7	16%	0.162	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-31.7	176.6	-26	34.9	0	0	0	113.5	N237 M239 V268 I274 R275	N237-P271 HydrophobicContact CB-CG 3.69Å; N237-P271 WeakPolarHBondContact ND2-CD 3.45Å; M239-P271 HydrophobicContact CE-CB 4.49Å; M239-P271 HydrophobicContact CE-CG 4.05Å; V268-P271 HydrophobicContact CG1-CG 4.25Å; P271-I274 WeakPolarHBondContact O-CB 3.42Å; P271-I274 PolarHBondContact O-N 3.26Å; P271-R275 PolarHBondContact O-N 3.4Å; P271-R275 VanDerWaalsContact O-N 3.15Å
272	E	94.6	Very high	96.1	Very high	88 Å²	88	44.1 Å²	44.1	41%	0.411	23%	0.226	S	C	.	.	H	α-helix	trans	-68.2	-35.6	175.7	-75.5	-57.5	122.9	0	0	112.8	E270 I274 R275 K276	E270-E272 PolarHBondContact O-N 3.15Å; E272-I274 VanDerWaalsContact C-N 3.31Å; E272-I274 PolarHBondContact O-N 2.98Å; E272-R275 PolarHBondContact O-N 3.36Å; E272-R275 WeakPolarHBondContact OE1-CD 3.3Å; E272-R275 IonicContact OE1-CZ 2.77Å; E272-R275 IonicContact OE1-NE 3.66Å; E272-R275 IonicContact OE1-NH1 3.63Å; E272-R275 PolarHBondContact OE1-NH1 3.46Å; E272-K276 WeakPolarHBondContact O-CG 3.43Å; E272-K276 PolarHBondContact O-N 2.79Å
273	Y	97	Very high	96.2	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-45	171.3	169.4	-94.4	0	0	0	110.3	I132 I133 Q153 A154 I222 N223 E270 R275 K276 M277	I132-Y273 PolarHBondContact O-OH 3.2Å; I133-Y273 HydrophobicContact CD1-CE1 4.18Å; Q153-Y273 HydrophobicContact CB-CD1 3.82Å; Q153-Y273 HydrophobicContact CB-CD2 3.68Å; Q153-Y273 HydrophobicContact CB-CE1 4.01Å; Q153-Y273 HydrophobicContact CB-CE2 3.83Å; Q153-Y273 HydrophobicContact CB-CG 3.67Å; A154-Y273 VanDerWaalsContact CB-OH 3.28Å; A154-Y273 WeakPolarHBondContact CB-OH 3.48Å; A154-Y273 PolarHBondContact N-OH 3.35Å; I222-Y273 HydrophobicContact CD1-CD2 4.05Å; I222-Y273 HydrophobicContact CD1-CE2 3.62Å; I222-Y273 HydrophobicContact CG1-CD2 4.05Å; I222-Y273 HydrophobicContact CG1-CE2 3.76Å; N223-Y273 WeakPolarHBondContact OD1-CE2 3.14Å; E270-Y273 WeakPolarHBondContact O-CB 3Å; E270-Y273 PolarHBondContact O-N 3.18Å; E270-Y273 VanDerWaalsContact O-N 3.08Å; Y273-R275 VanDerWaalsContact C-N 3.32Å; Y273-R275 PolarHBondContact O-N 3.01Å; Y273-K276 PolarHBondContact O-N 3.05Å; Y273-M277 HydrophobicContact CE1-CB 4.22Å; Y273-M277 HydrophobicContact CE1-CG 4.46Å; Y273-M277 HydrophobicContact CE1-SD 3.96Å; Y273-M277 VanDerWaalsContact O-CB 3.29Å; Y273-M277 WeakPolarHBondContact O-CB 3.39Å; Y273-M277 PolarHBondContact O-N 3.3Å
274	I	96.8	Very high	96.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-42.5	179.1	-55.8	-57.4	0	0	0	112	I133 L244 T247 W253 V268 E270 P271 E272 M277 N278	I133-I274 HydrophobicContact CD1-CD1 3.35Å; L244-I274 HydrophobicContact CD1-CG2 4.27Å; T247-I274 VanDerWaalsContact OG1-CG2 3.25Å; T247-I274 WeakPolarHBondContact OG1-CG2 3.06Å; W253-I274 HydrophobicContact CH2-CD1 4.02Å; W253-I274 HydrophobicContact CZ2-CD1 3.88Å; W253-I274 HydrophobicContact CZ2-CG1 4.47Å; W253-I274 HydrophobicContact CZ2-CG2 3.63Å; V268-I274 HydrophobicContact CG1-CD1 4.35Å; V268-I274 HydrophobicContact CG1-CG1 3.71Å; E270-I274 PolarHBondContact O-N 3.17Å; P271-I274 WeakPolarHBondContact O-CB 3.42Å; P271-I274 PolarHBondContact O-N 3.26Å; E272-I274 VanDerWaalsContact C-N 3.31Å; E272-I274 PolarHBondContact O-N 2.98Å; I274-M277 PolarHBondContact O-N 3.24Å; I274-N278 PolarHBondContact O-N 3.18Å; I274-N278 VanDerWaalsContact O-N 3.08Å; I274-N278 PolarHBondContact O-ND2 3.19Å
275	R	96.6	Very high	96.4	Very high	125 Å²	125	43.2 Å²	43.2	47%	0.472	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-50.6	175.5	-73.2	175.6	173.4	158	1.1	111.3	T247 P271 E272 Y273 M277 N278 V279	T247-R275 WeakPolarHBondContact O-CG 3.45Å; P271-R275 PolarHBondContact O-N 3.4Å; P271-R275 VanDerWaalsContact O-N 3.15Å; E272-R275 PolarHBondContact O-N 3.36Å; E272-R275 WeakPolarHBondContact OE1-CD 3.3Å; E272-R275 IonicContact OE1-CZ 2.77Å; E272-R275 IonicContact OE1-NE 3.66Å; E272-R275 IonicContact OE1-NH1 3.63Å; E272-R275 PolarHBondContact OE1-NH1 3.46Å; Y273-R275 VanDerWaalsContact C-N 3.32Å; Y273-R275 PolarHBondContact O-N 3.01Å; R275-M277 VanDerWaalsContact C-N 3.34Å; R275-M277 PolarHBondContact O-N 3.21Å; R275-N278 PolarHBondContact O-N 3.38Å; R275-V279 PolarHBondContact O-N 3.11Å
276	K	97.5	Very high	96.2	Very high	93 Å²	93	40.1 Å²	40.1	40%	0.404	20%	0.204	S	C	.	.	H	α-helix	trans	-64.4	-37.3	179	-67.9	172.9	-174.5	172.9	0	112.6	I222 E272 Y273 N278 V279 L280	I222-K276 HydrophobicContact CB-CB 3.83Å; I222-K276 HydrophobicContact CB-CD 4.04Å; I222-K276 HydrophobicContact CD1-CB 4.29Å; I222-K276 HydrophobicContact CG2-CB 3.85Å; I222-K276 HydrophobicContact CG2-CD 4.23Å; E272-K276 WeakPolarHBondContact O-CG 3.43Å; E272-K276 PolarHBondContact O-N 2.79Å; Y273-K276 PolarHBondContact O-N 3.05Å; K276-N278 VanDerWaalsContact C-N 3.34Å; K276-N278 PolarHBondContact O-N 2.63Å; K276-V279 PolarHBondContact O-N 3.15Å; K276-L280 WeakPolarHBondContact O-CB 3.46Å; K276-L280 PolarHBondContact O-N 3.39Å
277	M	97.9	Very high	95.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-43.2	175.2	-176.8	-169	73.3	0	0	110.9	I132 I133 I222 F251 W253 Y273 I274 R275 V279 L280 L281	I132-M277 HydrophobicContact CB-SD 4.4Å; I132-M277 HydrophobicContact CD1-SD 4.45Å; I132-M277 HydrophobicContact CG1-SD 4.4Å; I133-M277 HydrophobicContact CD1-SD 4.47Å; I222-M277 HydrophobicContact CD1-CB 4.08Å; F251-M277 HydrophobicContact CB-CE 4.3Å; F251-M277 HydrophobicContact CD2-CE 4.48Å; F251-M277 HydrophobicContact CG-CE 4.25Å; W253-M277 HydrophobicContact CH2-CE 4.46Å; W253-M277 HydrophobicContact CZ2-CE 4.07Å; Y273-M277 HydrophobicContact CE1-CB 4.22Å; Y273-M277 HydrophobicContact CE1-CG 4.46Å; Y273-M277 HydrophobicContact CE1-SD 3.96Å; Y273-M277 VanDerWaalsContact O-CB 3.29Å; Y273-M277 WeakPolarHBondContact O-CB 3.39Å; Y273-M277 PolarHBondContact O-N 3.3Å; I274-M277 PolarHBondContact O-N 3.24Å; R275-M277 VanDerWaalsContact C-N 3.34Å; R275-M277 PolarHBondContact O-N 3.21Å; M277-V279 VanDerWaalsContact C-N 3.33Å; M277-V279 PolarHBondContact O-N 3.4Å; M277-L280 PolarHBondContact O-N 2.03Å; M277-L281 HydrophobicContact CE-CD1 4.47Å; M277-L281 HydrophobicContact CG-CD1 4.03Å; M277-L281 HydrophobicContact CG-CG 4.33Å; M277-L281 WeakPolarHBondContact O-CB 3.37Å; M277-L281 VanDerWaalsContact O-CG 3.23Å; M277-L281 WeakPolarHBondContact O-CG 3.32Å; M277-L281 PolarHBondContact O-N 3.45Å
278	N	97	Very high	95.8	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-39.6	176	-85.6	-90.9	0	0	0	112.6	K250 F251 I274 R275 K276 S282	K250-N278 HydrophobicContact CB-CB 4.32Å; K250-N278 PolarHBondContact N-OD1 3.17Å; F251-N278 PolarHBondContact N-OD1 3.48Å; I274-N278 PolarHBondContact O-N 3.18Å; I274-N278 VanDerWaalsContact O-N 3.08Å; I274-N278 PolarHBondContact O-ND2 3.19Å; R275-N278 PolarHBondContact O-N 3.38Å; K276-N278 VanDerWaalsContact C-N 3.34Å; K276-N278 PolarHBondContact O-N 2.63Å; N278-S282 WeakPolarHBondContact O-CB 3.41Å; N278-S282 PolarHBondContact O-N 3.29Å; N278-S282 VanDerWaalsContact O-N 3.16Å; N278-S282 PolarHBondContact O-OG 3.01Å
279	V	97.2	Very high	95.7	Very high	76 Å²	76	42.5 Å²	42.5	46%	0.461	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-51.4	174.8	176.6	0	0	0	0	110.3	R275 K276 M277 L281 S282 E283	R275-V279 PolarHBondContact O-N 3.11Å; K276-V279 PolarHBondContact O-N 3.15Å; M277-V279 VanDerWaalsContact C-N 3.33Å; M277-V279 PolarHBondContact O-N 3.4Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 2.99Å; V279-S282 WeakPolarHBondContact O-CA 3.39Å; V279-S282 WeakPolarHBondContact O-CB 3.49Å; V279-S282 PolarHBondContact O-N 3.37Å; V279-E283 PolarHBondContact O-N 3.44Å
280	L	97.9	Very high	95.7	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-45.4	179.8	178.7	60.9	0	0	0	111.9	F215 D218 L219 I222 K276 M277 S282 E283 T284	F215-L280 HydrophobicContact CD2-CD1 4.45Å; F215-L280 HydrophobicContact CD2-CD2 4.42Å; F215-L280 HydrophobicContact CD2-CG 4.38Å; F215-L280 HydrophobicContact CE2-CD1 4.43Å; F215-L280 HydrophobicContact CE2-CD2 3.97Å; F215-L280 HydrophobicContact CE2-CG 3.9Å; D218-L280 HydrophobicContact CB-CD1 3.68Å; D218-L280 HydrophobicContact CB-CD2 4.11Å; L219-L280 HydrophobicContact CD2-CD2 3.83Å; L219-L280 HydrophobicContact CG-CD2 4.12Å; I222-L280 HydrophobicContact CD1-CD2 3.87Å; I222-L280 HydrophobicContact CG1-CD2 4.44Å; K276-L280 WeakPolarHBondContact O-CB 3.46Å; K276-L280 PolarHBondContact O-N 3.39Å; M277-L280 PolarHBondContact O-N 2.03Å; L280-S282 PolarHBondContact O-N 2.85Å; L280-E283 PolarHBondContact O-N 3.18Å; L280-T284 WeakPolarHBondContact O-CB 3.43Å; L280-T284 PolarHBondContact O-N 3.22Å; L280-T284 PolarHBondContact O-OG1 2.82Å
281	L	97.2	Very high	95.7	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-24.5	176.3	-69.9	174.9	0	0	0	113.1	L116 I132 F215 K250 F251 M277 V279 V289	L116-L281 HydrophobicContact CD2-CD1 4.29Å; L116-L281 HydrophobicContact CD2-CD2 4.32Å; I132-L281 HydrophobicContact CD1-CD1 4.12Å; I132-L281 HydrophobicContact CD1-CD2 4.21Å; F215-L281 HydrophobicContact CZ-CD2 4.17Å; K250-L281 WeakPolarHBondContact CE-O 3.47Å; K250-L281 HydrophobicContact CG-CB 3.69Å; F251-L281 HydrophobicContact CB-CD1 4.44Å; F251-L281 HydrophobicContact CD2-CD1 4.13Å; M277-L281 HydrophobicContact CE-CD1 4.47Å; M277-L281 HydrophobicContact CG-CD1 4.03Å; M277-L281 HydrophobicContact CG-CG 4.33Å; M277-L281 WeakPolarHBondContact O-CB 3.37Å; M277-L281 VanDerWaalsContact O-CG 3.23Å; M277-L281 WeakPolarHBondContact O-CG 3.32Å; M277-L281 PolarHBondContact O-N 3.45Å; V279-L281 VanDerWaalsContact C-N 3.33Å; V279-L281 PolarHBondContact O-N 2.99Å; L281-V289 HydrophobicContact CD2-CG1 3.87Å; L281-V289 HydrophobicContact CD2-CG2 3.95Å
282	S	96	Very high	95.8	Very high	67 Å²	67	40.7 Å²	40.7	47%	0.469	21%	0.206	S	C	.	.	H	α-helix	trans	-80.1	-29.2	176.7	-58.6	0	0	0	0	112.3	K250 N278 V279 L280	K250-S282 WeakPolarHBondContact CB-OG 3.35Å; K250-S282 WeakPolarHBondContact CG-OG 3.5Å; N278-S282 WeakPolarHBondContact O-CB 3.41Å; N278-S282 PolarHBondContact O-N 3.29Å; N278-S282 VanDerWaalsContact O-N 3.16Å; N278-S282 PolarHBondContact O-OG 3.01Å; V279-S282 WeakPolarHBondContact O-CA 3.39Å; V279-S282 WeakPolarHBondContact O-CB 3.49Å; V279-S282 PolarHBondContact O-N 3.37Å; L280-S282 PolarHBondContact O-N 2.85Å
283	E	96.5	Very high	95.9	Very high	152 Å²	152	36.5 Å²	36.5	71%	0.71	19%	0.186	S	C	*	.	H	α-helix	trans	-90.2	-19.5	179.9	-66.4	175.8	167.2	0	0	112.9	V279 L280	V279-E283 PolarHBondContact O-N 3.44Å; L280-E283 PolarHBondContact O-N 3.18Å
284	T	96.6	Very high	95.7	Very high	26 Å²	26	36.8 Å²	36.8	16%	0.16	19%	0.188	C	C	.	.	S	Bend	trans	-89.9	135.2	-178.9	-53	0	0	0	0	111.2	F215 L280 T288 V289	F215-T284 HydrophobicContact CD2-CG2 3.53Å; F215-T284 HydrophobicContact CE2-CG2 3.84Å; F215-T284 HydrophobicContact CG-CG2 4.3Å; L280-T284 WeakPolarHBondContact O-CB 3.43Å; L280-T284 PolarHBondContact O-N 3.22Å; L280-T284 PolarHBondContact O-OG1 2.82Å; T284-T288 HydrophobicContact CG2-CG2 4Å; T284-V289 HydrophobicContact CG2-CG2 3.75Å
285	D	93.8	Very high	95.7	Very high	79 Å²	79	36.8 Å²	36.8	42%	0.422	19%	0.187	S	C	.	.			trans	-56.8	136.6	171	177.9	-134.9	0	0	0	111.8	D287 T288 V289	D285-D287 VanDerWaalsContact C-N 3.3Å; D285-D287 PolarHBondContact O-N 2.94Å; D285-T288 WeakPolarHBondContact O-CB 3.47Å; D285-T288 PolarHBondContact O-N 3.34Å; D285-T288 VanDerWaalsContact O-N 3.08Å; D285-V289 PolarHBondContact O-N 3.17Å
286	V	91.4	Very high	95.7	Very high	52 Å²	52	32.1 Å²	32.1	32%	0.315	17%	0.17	S	C	.	.	H	α-helix	trans	-61.4	-41.1	-171.6	68.3	0	0	0	0	111.3	T288 V289 Y290	V286-T288 PolarHBondContact O-N 2.74Å; V286-V289 PolarHBondContact O-N 3.13Å; V286-V289 VanDerWaalsContact O-N 3.08Å; V286-Y290 HydrophobicContact CG2-CD2 3.71Å; V286-Y290 HydrophobicContact CG2-CE2 3.51Å; V286-Y290 WeakPolarHBondContact O-CD2 3.26Å; V286-Y290 PolarHBondContact O-N 3.48Å; V286-Y290 VanDerWaalsContact O-N 3.09Å
287	D	91.5	Very high	95.6	Very high	35 Å²	35	27.7 Å²	27.7	19%	0.187	15%	0.151	C	C	.	.	H	α-helix	trans	-58	-40.1	178.3	-69	-34	0	0	0	111.3	Y109 D285 V289 Y290 D291	Y109-D287 WeakPolarHBondContact CA-OD1 3.5Å; Y109-D287 VanDerWaalsContact CB-OD1 3.26Å; Y109-D287 WeakPolarHBondContact CB-OD1 3.25Å; Y109-D287 PolarHBondContact N-OD1 2.97Å; D285-D287 VanDerWaalsContact C-N 3.3Å; D285-D287 PolarHBondContact O-N 2.94Å; D287-V289 VanDerWaalsContact C-N 3.34Å; D287-V289 PolarHBondContact O-N 2.77Å; D287-Y290 PolarHBondContact O-N 3.05Å; D287-D291 VanDerWaalsContact O-CB 3.25Å; D287-D291 WeakPolarHBondContact O-CB 2.98Å; D287-D291 PolarHBondContact O-N 3.17Å
288	T	95.5	Very high	95.5	Very high	10 Å²	10	27.7 Å²	27.7	6%	0.061	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-38	178.9	-57.1	0	0	0	0	111.9	K211 F215 T284 D285 V286 Y292	K211-T288 HydrophobicContact CB-CG2 3.98Å; F215-T288 HydrophobicContact CB-CG2 3.92Å; F215-T288 HydrophobicContact CG-CG2 4.41Å; T284-T288 HydrophobicContact CG2-CG2 4Å; D285-T288 WeakPolarHBondContact O-CB 3.47Å; D285-T288 PolarHBondContact O-N 3.34Å; D285-T288 VanDerWaalsContact O-N 3.08Å; V286-T288 PolarHBondContact O-N 2.74Å; T288-Y292 WeakPolarHBondContact O-CB 3.33Å; T288-Y292 PolarHBondContact O-N 2.72Å
289	V	95.4	Very high	95.4	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-67.2	-45.8	177.3	-179.3	0	0	0	0	110.6	L116 F215 L281 T284 D285 V286 D287 Y292 L293	L116-V289 HydrophobicContact CD1-CG1 3.79Å; L116-V289 HydrophobicContact CD2-CG1 4.25Å; F215-V289 HydrophobicContact CE2-CG2 4.17Å; F215-V289 HydrophobicContact CZ-CG1 4.48Å; F215-V289 HydrophobicContact CZ-CG2 4.07Å; L281-V289 HydrophobicContact CD2-CG1 3.87Å; L281-V289 HydrophobicContact CD2-CG2 3.95Å; T284-V289 HydrophobicContact CG2-CG2 3.75Å; D285-V289 PolarHBondContact O-N 3.17Å; V286-V289 PolarHBondContact O-N 3.13Å; V286-V289 VanDerWaalsContact O-N 3.08Å; D287-V289 VanDerWaalsContact C-N 3.34Å; D287-V289 PolarHBondContact O-N 2.77Å; V289-Y292 WeakPolarHBondContact O-CB 3.3Å; V289-Y292 PolarHBondContact O-N 3.06Å; V289-L293 WeakPolarHBondContact O-CG 3.21Å; V289-L293 PolarHBondContact O-N 3.31Å
290	Y	94.1	Very high	95.2	Very high	16 Å²	16	27.4 Å²	27.4	6%	0.063	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-40	178.4	-79.9	-88.9	0	0	0	112.3	F100 Y109 I114 L116 L119 V286 D287 Y292 L293 Y294	F100-Y290 HydrophobicContact CE1-CD1 4.41Å; Y109-Y290 HydrophobicContact CD1-CD1 4.03Å; Y109-Y290 AromaticContact CD1-CD2 3.75Å; Y109-Y290 HydrophobicContact CD1-CD2 3.75Å; Y109-Y290 HydrophobicContact CD1-CE1 4.15Å; Y109-Y290 AromaticContact CD1-CE2 3.88Å; Y109-Y290 HydrophobicContact CD1-CE2 3.88Å; Y109-Y290 AromaticContact CD1-CG 3.82Å; Y109-Y290 HydrophobicContact CD1-CG 3.82Å; Y109-Y290 AromaticContact CD2-CD1 3.62Å; Y109-Y290 HydrophobicContact CD2-CD1 3.62Å; Y109-Y290 HydrophobicContact CD2-CD2 4.42Å; Y109-Y290 HydrophobicContact CD2-CE1 4.33Å; Y109-Y290 AromaticContact CD2-CG 3.67Å; Y109-Y290 HydrophobicContact CD2-CG 3.67Å; Y109-Y290 AromaticContact CE1-CD1 3.7Å; Y109-Y290 HydrophobicContact CE1-CD1 3.7Å; Y109-Y290 AromaticContact CE1-CD2 3.99Å; Y109-Y290 HydrophobicContact CE1-CD2 3.99Å; Y109-Y290 AromaticContact CE1-CE1 3.43Å; Y109-Y290 HydrophobicContact CE1-CE1 3.43Å; Y109-Y290 VanDerWaalsContact CE1-CE1 3.43Å; Y109-Y290 AromaticContact CE1-CE2 3.75Å; Y109-Y290 HydrophobicContact CE1-CE2 3.75Å; Y109-Y290 AromaticContact CE1-CG 3.96Å; Y109-Y290 HydrophobicContact CE1-CG 3.96Å; Y109-Y290 AromaticContact CE1-CZ 3.43Å; Y109-Y290 VanDerWaalsContact CE1-CZ 3.43Å; Y109-Y290 AromaticContact CE2-CD1 3.3Å; Y109-Y290 HydrophobicContact CE2-CD1 3.3Å; Y109-Y290 AromaticContact CE2-CE1 3.69Å; Y109-Y290 HydrophobicContact CE2-CE1 3.69Å; Y109-Y290 AromaticContact CE2-CG 3.87Å; Y109-Y290 HydrophobicContact CE2-CG 3.87Å; Y109-Y290 AromaticContact CG-CD1 3.99Å; Y109-Y290 HydrophobicContact CG-CD1 3.99Å; Y109-Y290 AromaticContact CG-CD2 3.98Å; Y109-Y290 HydrophobicContact CG-CD2 3.98Å; Y109-Y290 AromaticContact CG-CG 3.66Å; Y109-Y290 HydrophobicContact CG-CG 3.66Å; Y109-Y290 AromaticContact CZ-CD1 3.32Å; Y109-Y290 AromaticContact CZ-CE1 3.15Å; Y109-Y290 AromaticContact CZ-CG 3.99Å; Y109-Y290 AromaticContact CZ-CZ 3.71Å; Y109-Y290 WeakPolarHBondContact OH-CE1 3.43Å; I114-Y290 PolarHBondContact O-OH 3.35Å; I114-Y290 VanDerWaalsContact O-OH 3.1Å; L116-Y290 WeakPolarHBondContact CA-OH 3.41Å; L116-Y290 PolarHBondContact N-OH 2.73Å; L116-Y290 VanDerWaalsContact N-OH 3.11Å; L119-Y290 HydrophobicContact CD2-CD1 3.47Å; L119-Y290 VanDerWaalsContact CD2-CD1 3.47Å; L119-Y290 HydrophobicContact CD2-CE1 3.44Å; L119-Y290 VanDerWaalsContact CD2-CE1 3.44Å; V286-Y290 HydrophobicContact CG2-CD2 3.71Å; V286-Y290 HydrophobicContact CG2-CE2 3.51Å; V286-Y290 WeakPolarHBondContact O-CD2 3.26Å; V286-Y290 PolarHBondContact O-N 3.48Å; V286-Y290 VanDerWaalsContact O-N 3.09Å; D287-Y290 PolarHBondContact O-N 3.05Å; Y290-Y292 VanDerWaalsContact C-N 3.29Å; Y290-Y292 PolarHBondContact O-N 3.13Å; Y290-L293 WeakPolarHBondContact O-CB 3.35Å; Y290-L293 PolarHBondContact O-N 3.34Å; Y290-L293 VanDerWaalsContact O-N 3.14Å; Y290-Y294 WeakPolarHBondContact O-CB 3.3Å; Y290-Y294 PolarHBondContact O-N 3.33Å
291	D	94.5	Very high	95	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-41	173.3	-77.9	-18.6	0	0	0	111.4	H104 L106 G107 I212 D287 Y294 L295	H104-D291 IonicContact CE1-OD1 3.01Å; H104-D291 PolarHBondContact CE1-OD1 3.44Å; H104-D291 IonicContact NE2-OD1 3.21Å; H104-D291 PolarHBondContact NE2-OD1 2.74Å; L106-D291 WeakPolarHBondContact CA-OD1 3.49Å; L106-D291 HydrophobicContact CD1-CB 4.23Å; G107-D291 VanDerWaalsContact CA-OD2 3.31Å; G107-D291 WeakPolarHBondContact CA-OD2 3.17Å; G107-D291 VanDerWaalsContact N-CG 3.34Å; G107-D291 PolarHBondContact N-OD1 3.24Å; G107-D291 VanDerWaalsContact N-OD1 3.07Å; G107-D291 PolarHBondContact N-OD2 2.78Å; I212-D291 HydrophobicContact CD1-CB 3.77Å; I212-D291 HydrophobicContact CG1-CB 3.8Å; D287-D291 VanDerWaalsContact O-CB 3.25Å; D287-D291 WeakPolarHBondContact O-CB 2.98Å; D287-D291 PolarHBondContact O-N 3.17Å; D291-Y294 WeakPolarHBondContact O-CB 3.17Å; D291-Y294 PolarHBondContact O-N 3.44Å; D291-L295 WeakPolarHBondContact O-CB 3.33Å; D291-L295 PolarHBondContact O-N 3.49Å
292	Y	96.9	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.6	-46.9	173.8	172.7	-100.1	0	0	0	111.5	I132 I212 F215 E216 L219 T288 V289 Y290 Y294 L295 R296	I132-Y292 HydrophobicContact CG2-CD1 4.12Å; I132-Y292 HydrophobicContact CG2-CE1 3.84Å; I212-Y292 HydrophobicContact CG2-CD2 3.99Å; F215-Y292 HydrophobicContact CD1-CD1 4.05Å; F215-Y292 HydrophobicContact CD1-CD2 4.05Å; F215-Y292 AromaticContact CD1-CG 3.67Å; F215-Y292 HydrophobicContact CD1-CG 3.67Å; F215-Y292 AromaticContact CE1-CD1 3.66Å; F215-Y292 HydrophobicContact CE1-CD1 3.66Å; F215-Y292 HydrophobicContact CE1-CD2 4.47Å; F215-Y292 HydrophobicContact CE1-CE1 4.25Å; F215-Y292 AromaticContact CE1-CG 3.79Å; F215-Y292 HydrophobicContact CE1-CG 3.79Å; E216-Y292 HydrophobicContact CB-CD2 4.39Å; E216-Y292 HydrophobicContact CB-CE2 3.96Å; E216-Y292 HydrophobicContact CG-CE2 3.82Å; L219-Y292 HydrophobicContact CD1-CD1 4.41Å; L219-Y292 HydrophobicContact CD1-CE1 3.71Å; L219-Y292 HydrophobicContact CD1-CE2 4.17Å; T288-Y292 WeakPolarHBondContact O-CB 3.33Å; T288-Y292 PolarHBondContact O-N 2.72Å; V289-Y292 WeakPolarHBondContact O-CB 3.3Å; V289-Y292 PolarHBondContact O-N 3.06Å; Y290-Y292 VanDerWaalsContact C-N 3.29Å; Y290-Y292 PolarHBondContact O-N 3.13Å; Y292-Y294 VanDerWaalsContact C-N 3.27Å; Y292-Y294 PolarHBondContact O-N 2.95Å; Y292-L295 WeakPolarHBondContact O-CB 3.37Å; Y292-L295 PolarHBondContact O-N 3.2Å; Y292-R296 HydrophobicContact CD1-CG 4.18Å; Y292-R296 HydrophobicContact CD2-CG 4.44Å; Y292-R296 HydrophobicContact CE1-CG 3.75Å; Y292-R296 HydrophobicContact CE2-CG 4.05Å; Y292-R296 VanDerWaalsContact O-CG 3.29Å; Y292-R296 WeakPolarHBondContact O-CG 3.44Å; Y292-R296 PolarHBondContact O-N 3.16Å
293	L	95.7	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-37.9	176.5	-67	-173.5	0	0	0	112.4	F100 L116 L119 V120 L123 S131 I132 V289 Y290 R296 L297	F100-L293 HydrophobicContact CE1-CB 4.43Å; F100-L293 HydrophobicContact CZ-CB 4.15Å; L116-L293 HydrophobicContact CD1-CD1 3.57Å; L119-L293 HydrophobicContact CD2-CB 4.5Å; L119-L293 HydrophobicContact CD2-CD1 3.67Å; L119-L293 HydrophobicContact CG-CD1 4.15Å; V120-L293 HydrophobicContact CG2-CD1 3.83Å; V120-L293 HydrophobicContact CG2-CD2 4.26Å; L123-L293 HydrophobicContact CD1-CB 3.92Å; L123-L293 HydrophobicContact CD1-CD1 4.29Å; L123-L293 HydrophobicContact CD1-CD2 4.07Å; L123-L293 HydrophobicContact CD1-CG 4.32Å; S131-L293 WeakPolarHBondContact OG-CD2 3.36Å; I132-L293 HydrophobicContact CG2-CD2 4.46Å; V289-L293 WeakPolarHBondContact O-CG 3.21Å; V289-L293 PolarHBondContact O-N 3.31Å; Y290-L293 WeakPolarHBondContact O-CB 3.35Å; Y290-L293 PolarHBondContact O-N 3.34Å; Y290-L293 VanDerWaalsContact O-N 3.14Å; L293-R296 PolarHBondContact O-N 3Å; L293-L297 PolarHBondContact O-N 3.39Å; L293-L297 VanDerWaalsContact O-N 3.16Å
294	Y	94.7	Very high	94.4	Very high	8 Å²	8	18.3 Å²	18.3	3%	0.031	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-47.2	175.2	-168	-105.5	0	0	0	111.3	L96 F100 H104 F188 Y290 D291 Y292 R296 L297 I298	L96-Y294 HydrophobicContact CB-CE2 3.91Å; L96-Y294 HydrophobicContact CD1-CE1 4.36Å; L96-Y294 HydrophobicContact CD1-CE2 4.1Å; L96-Y294 WeakPolarHBondContact CD1-OH 3.37Å; L96-Y294 HydrophobicContact CD2-CD2 3.84Å; L96-Y294 HydrophobicContact CD2-CE2 3.51Å; L96-Y294 HydrophobicContact CG-CE2 4Å; F100-Y294 HydrophobicContact CD1-CD2 4.3Å; F100-Y294 AromaticContact CD2-CD2 3.67Å; F100-Y294 HydrophobicContact CD2-CD2 3.67Å; F100-Y294 HydrophobicContact CD2-CE2 4.19Å; F100-Y294 HydrophobicContact CE1-CD2 4.31Å; F100-Y294 AromaticContact CE2-CD2 3.75Å; F100-Y294 HydrophobicContact CE2-CD2 3.75Å; F100-Y294 AromaticContact CG-CD2 3.99Å; F100-Y294 HydrophobicContact CG-CD2 3.99Å; F100-Y294 HydrophobicContact CG-CE2 4.46Å; F100-Y294 HydrophobicContact CZ-CD2 4.08Å; H104-Y294 AromaticContact CD2-CD2 3.48Å; H104-Y294 VanDerWaalsContact CD2-CD2 3.48Å; H104-Y294 WeakPolarHBondContact CD2-CD2 3.41Å; H104-Y294 AromaticContact CD2-CE2 3.95Å; H104-Y294 AromaticContact CD2-CG 3.63Å; H104-Y294 AromaticContact NE2-CG 4Å; F188-Y294 HydrophobicContact CE1-CD1 4Å; F188-Y294 HydrophobicContact CE1-CE1 4.24Å; F188-Y294 HydrophobicContact CZ-CD1 4.44Å; Y290-Y294 WeakPolarHBondContact O-CB 3.3Å; Y290-Y294 PolarHBondContact O-N 3.33Å; D291-Y294 WeakPolarHBondContact O-CB 3.17Å; D291-Y294 PolarHBondContact O-N 3.44Å; Y292-Y294 VanDerWaalsContact C-N 3.27Å; Y292-Y294 PolarHBondContact O-N 2.95Å; Y294-R296 VanDerWaalsContact C-N 3.34Å; Y294-R296 PolarHBondContact O-N 3.37Å; Y294-L297 PolarHBondContact O-N 2.69Å; Y294-I298 HydrophobicContact CD1-CD1 3.41Å; Y294-I298 VanDerWaalsContact CD1-CD1 3.41Å; Y294-I298 HydrophobicContact CD1-CG1 4.45Å; Y294-I298 HydrophobicContact CE1-CD1 3.49Å; Y294-I298 VanDerWaalsContact CE1-CD1 3.49Å; Y294-I298 HydrophobicContact CG-CD1 4.27Å; Y294-I298 WeakPolarHBondContact O-CG1 3.21Å; Y294-I298 PolarHBondContact O-N 3.37Å
295	L	96	Very high	94.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-45.4	173.6	175.6	62.7	0	0	0	111.6	V184 F188 I212 D291 Y292 L297 I298 L299	V184-L295 HydrophobicContact CG1-CD1 3.87Å; V184-L295 HydrophobicContact CG1-CD2 3.81Å; V184-L295 HydrophobicContact CG2-CD1 4.16Å; V184-L295 HydrophobicContact CG2-CD2 4.02Å; F188-L295 HydrophobicContact CE2-CB 4.38Å; F188-L295 HydrophobicContact CE2-CD1 3.96Å; F188-L295 HydrophobicContact CZ-CB 4.21Å; F188-L295 HydrophobicContact CZ-CD1 4.38Å; I212-L295 HydrophobicContact CG2-CB 4.5Å; I212-L295 HydrophobicContact CG2-CD2 3.52Å; D291-L295 WeakPolarHBondContact O-CB 3.33Å; D291-L295 PolarHBondContact O-N 3.49Å; Y292-L295 WeakPolarHBondContact O-CB 3.37Å; Y292-L295 PolarHBondContact O-N 3.2Å; L295-L297 VanDerWaalsContact C-N 3.29Å; L295-L297 PolarHBondContact O-N 3.05Å; L295-I298 PolarHBondContact O-N 2.74Å; L295-I298 VanDerWaalsContact O-N 3.12Å; L295-L299 HydrophobicContact CD1-CD1 4.01Å; L295-L299 HydrophobicContact CD1-CD2 4.18Å; L295-L299 HydrophobicContact CD1-CG 3.76Å; L295-L299 HydrophobicContact CD2-CD1 4.27Å; L295-L299 HydrophobicContact CG-CD1 3.81Å; L295-L299 HydrophobicContact CG-CG 4.04Å; L295-L299 WeakPolarHBondContact O-CG 3.09Å; L295-L299 PolarHBondContact O-N 2.91Å
296	R	96.1	Very high	94.3	Very high	28 Å²	28	14 Å²	14	11%	0.106	7%	0.074	C	C	.	.	H	α-helix	trans	-57.6	-42.2	178.7	-70.7	-61.4	-62.1	167.3	-6.7	112.1	V129 S130 I155 L156 G157 Y292 L293 Y294 S300	V129-R296 HydrophobicContact CG1-CB 4.09Å; S130-R296 PolarHBondContact O-NH2 3.27Å; I155-R296 PolarHBondContact O-NH2 2.93Å; I155-R296 VanDerWaalsContact O-NH2 3.08Å; L156-R296 PolarHBondContact O-NH1 3.14Å; G157-R296 VanDerWaalsContact N-NH1 3.14Å; Y292-R296 HydrophobicContact CD1-CG 4.18Å; Y292-R296 HydrophobicContact CD2-CG 4.44Å; Y292-R296 HydrophobicContact CE1-CG 3.75Å; Y292-R296 HydrophobicContact CE2-CG 4.05Å; Y292-R296 VanDerWaalsContact O-CG 3.29Å; Y292-R296 WeakPolarHBondContact O-CG 3.44Å; Y292-R296 PolarHBondContact O-N 3.16Å; L293-R296 PolarHBondContact O-N 3Å; Y294-R296 VanDerWaalsContact C-N 3.34Å; Y294-R296 PolarHBondContact O-N 3.37Å; R296-S300 PolarHBondContact O-N 3.05Å
297	L	95.5	Very high	94.5	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.8	-44.6	175.1	-176.5	56.9	0	0	0	111.5	L95 L96 A99 F100 L123 F127 V129 L293 Y294 L295 S300 R301	L95-L297 HydrophobicContact CD2-CD1 3.94Å; L95-L297 HydrophobicContact CD2-CD2 4.4Å; L95-L297 HydrophobicContact CD2-CG 4.15Å; L95-L297 HydrophobicContact CG-CD2 4.4Å; L96-L297 HydrophobicContact CD2-CD2 3.92Å; L96-L297 HydrophobicContact CD2-CG 4.26Å; A99-L297 HydrophobicContact CB-CD2 3.42Å; A99-L297 VanDerWaalsContact CB-CD2 3.42Å; F100-L297 HydrophobicContact CD2-CD2 4.44Å; F100-L297 HydrophobicContact CE2-CD2 3.92Å; L123-L297 HydrophobicContact CD2-CB 4.21Å; L123-L297 HydrophobicContact CD2-CD1 4.39Å; L123-L297 HydrophobicContact CD2-CD2 4Å; L123-L297 HydrophobicContact CD2-CG 4.45Å; F127-L297 HydrophobicContact CB-CD1 3.94Å; F127-L297 HydrophobicContact CG-CD1 4.28Å; V129-L297 HydrophobicContact CG2-CD1 3.77Å; L293-L297 PolarHBondContact O-N 3.39Å; L293-L297 VanDerWaalsContact O-N 3.16Å; Y294-L297 PolarHBondContact O-N 2.69Å; L295-L297 VanDerWaalsContact C-N 3.29Å; L295-L297 PolarHBondContact O-N 3.05Å; L297-S300 PolarHBondContact O-N 3.49Å; L297-S300 PolarHBondContact O-OG 3.48Å; L297-R301 WeakPolarHBondContact O-CG 3.35Å
298	I	95.7	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-50.8	178.3	-65.3	158.3	0	0	0	111.5	L92 L96 I187 F188 I191 Y294 L295 S300 R301 L302	L92-I298 HydrophobicContact CD1-CG1 4.34Å; L96-I298 HydrophobicContact CD1-CG1 4.26Å; L96-I298 HydrophobicContact CD2-CG1 3.98Å; I187-I298 HydrophobicContact CG2-CG2 3.59Å; F188-I298 HydrophobicContact CE1-CD1 4.32Å; I191-I298 HydrophobicContact CD1-CD1 3.39Å; I191-I298 HydrophobicContact CD1-CG1 4.12Å; I191-I298 HydrophobicContact CD1-CG2 4.3Å; Y294-I298 HydrophobicContact CD1-CD1 3.41Å; Y294-I298 VanDerWaalsContact CD1-CD1 3.41Å; Y294-I298 HydrophobicContact CD1-CG1 4.45Å; Y294-I298 HydrophobicContact CE1-CD1 3.49Å; Y294-I298 VanDerWaalsContact CE1-CD1 3.49Å; Y294-I298 HydrophobicContact CG-CD1 4.27Å; Y294-I298 WeakPolarHBondContact O-CG1 3.21Å; Y294-I298 PolarHBondContact O-N 3.37Å; L295-I298 PolarHBondContact O-N 2.74Å; L295-I298 VanDerWaalsContact O-N 3.12Å; I298-S300 PolarHBondContact O-N 3.45Å; I298-R301 PolarHBondContact O-N 3.21Å; I298-L302 HydrophobicContact CG2-CD2 3.88Å; I298-L302 HydrophobicContact CG2-CG 4.41Å; I298-L302 PolarHBondContact O-N 3.24Å
299	L	94.8	Very high	94.7	Very high	37 Å²	37	20.6 Å²	20.6	19%	0.194	9%	0.09	C	C	.	.	H	α-helix	trans	-55.6	-37.2	-179.7	-72.2	175.8	0	0	0	111.7	Y180 I187 L295 R301 L302	Y180-L299 HydrophobicContact CE2-CD1 4.17Å; I187-L299 HydrophobicContact CD1-CD2 3.88Å; L295-L299 HydrophobicContact CD1-CD1 4.01Å; L295-L299 HydrophobicContact CD1-CD2 4.18Å; L295-L299 HydrophobicContact CD1-CG 3.76Å; L295-L299 HydrophobicContact CD2-CD1 4.27Å; L295-L299 HydrophobicContact CG-CD1 3.81Å; L295-L299 HydrophobicContact CG-CG 4.04Å; L295-L299 WeakPolarHBondContact O-CG 3.09Å; L295-L299 PolarHBondContact O-N 2.91Å; L299-R301 PolarHBondContact O-N 3.25Å; L299-R301 VanDerWaalsContact O-N 3.13Å; L299-L302 HydrophobicContact CD2-CD1 3.93Å
300	S	93.1	Very high	94.7	Very high	40 Å²	40	20.4 Å²	20.4	28%	0.28	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	0.4	177.9	77.6	0	0	0	0	114.9	V129 R296 L297 I298	V129-S300 VanDerWaalsContact CG2-OG 3.23Å; V129-S300 WeakPolarHBondContact CG2-OG 3.33Å; R296-S300 PolarHBondContact O-N 3.05Å; L297-S300 PolarHBondContact O-N 3.49Å; L297-S300 PolarHBondContact O-OG 3.48Å; I298-S300 PolarHBondContact O-N 3.45Å
301	R	94	Very high	94.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.008	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-13.2	-174.1	-66.7	-62.4	-177.9	-79.8	-1.7	114.7	L92 L95 F127 L297 I298 L299 E303 F304 F445	L92-R301 HydrophobicContact CD1-CB 4.5Å; L95-R301 HydrophobicContact CD2-CG 3.62Å; F127-R301 PolarHBondContact O-NH2 3.46Å; L297-R301 WeakPolarHBondContact O-CG 3.35Å; I298-R301 PolarHBondContact O-N 3.21Å; L299-R301 PolarHBondContact O-N 3.25Å; L299-R301 VanDerWaalsContact O-N 3.13Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 3.35Å; R301-F304 PolarHBondContact O-N 3.3Å; R301-F445 HydrophobicContact CB-CE2 3.76Å; R301-F445 HydrophobicContact CB-CZ 4.07Å; R301-F445 HydrophobicContact CG-CE2 4.13Å; R301-F445 HydrophobicContact CG-CZ 3.97Å
302	L	93.7	Very high	94.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-55.2	-40.9	-174.4	-66.4	175.3	0	0	0	113.7	I187 I298 L299 F304 L305 Y309 S310	I187-L302 HydrophobicContact CD1-CD1 3.51Å; I187-L302 HydrophobicContact CD1-CD2 4.45Å; I187-L302 HydrophobicContact CG1-CD1 4.12Å; I187-L302 HydrophobicContact CG1-CD2 4.27Å; I298-L302 HydrophobicContact CG2-CD2 3.88Å; I298-L302 HydrophobicContact CG2-CG 4.41Å; I298-L302 PolarHBondContact O-N 3.24Å; L299-L302 HydrophobicContact CD2-CD1 3.93Å; L302-F304 PolarHBondContact O-N 3.14Å; L302-F304 VanDerWaalsContact O-N 3.14Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-Y309 HydrophobicContact CD2-CD1 3.93Å; L302-S310 WeakPolarHBondContact O-CA 3.12Å; L302-S310 WeakPolarHBondContact O-CB 3.49Å
303	E	90.1	Very high	94.6	Very high	35 Å²	35	26.2 Å²	26.2	16%	0.164	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-67.5	-13.5	-178.1	74.3	176.1	146.2	0	0	113.9	R301 Y313 K340	R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 3.35Å; E303-Y313 HydrophobicContact CB-CD1 4.13Å; E303-Y313 HydrophobicContact CB-CE1 4.19Å; E303-K340 IonicContact OE1-NZ 3.88Å; E303-K340 IonicContact OE2-NZ 3.7Å; E303-K340 PolarHBondContact OE2-NZ 3.09Å
304	F	92.6	Very high	94.5	Very high	9 Å²	9	27.1 Å²	27.1	4%	0.039	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-101.1	-2.1	-177.6	-60.2	-83.2	0	0	0	113.7	R301 L302 Y332 Y336 F444 F445 N448	R301-F304 PolarHBondContact O-N 3.3Å; L302-F304 PolarHBondContact O-N 3.14Å; L302-F304 VanDerWaalsContact O-N 3.14Å; F304-Y332 WeakPolarHBondContact CE1-OH 3.07Å; F304-Y336 AromaticContact CE1-CD2 3.91Å; F304-Y336 HydrophobicContact CE1-CD2 3.91Å; F304-Y336 AromaticContact CE1-CE2 3.41Å; F304-Y336 HydrophobicContact CE1-CE2 3.41Å; F304-Y336 VanDerWaalsContact CE1-CE2 3.41Å; F304-Y336 HydrophobicContact CZ-CD2 4.23Å; F304-Y336 AromaticContact CZ-CE2 3.8Å; F304-Y336 HydrophobicContact CZ-CE2 3.8Å; F304-F444 AromaticContact CD1-CD1 3.86Å; F304-F444 HydrophobicContact CD1-CD1 3.86Å; F304-F444 AromaticContact CD1-CE1 3.36Å; F304-F444 HydrophobicContact CD1-CE1 3.36Å; F304-F444 AromaticContact CD1-CZ 3.96Å; F304-F444 HydrophobicContact CD1-CZ 3.96Å; F304-F444 AromaticContact CE1-CE1 3.7Å; F304-F444 HydrophobicContact CE1-CE1 3.7Å; F304-F444 AromaticContact CE1-CZ 3.86Å; F304-F444 HydrophobicContact CE1-CZ 3.86Å; F304-F445 HydrophobicContact CB-CD2 3.95Å; F304-N448 HydrophobicContact CD1-CB 3.83Å; F304-N448 WeakPolarHBondContact CD2-ND2 3.18Å; F304-N448 HydrophobicContact CE1-CB 3.83Å; F304-N448 VanDerWaalsContact CE1-CG 3.48Å; F304-N448 WeakPolarHBondContact CE2-ND2 3.24Å; F304-N448 HydrophobicContact CG-CB 4.33Å; F304-N448 HydrophobicContact CZ-CB 4.28Å; F304-N448 VanDerWaalsContact CZ-CG 3.43Å; F304-N448 WeakPolarHBondContact CZ-ND2 3.31Å; F304-N448 WeakPolarHBondContact CZ-OD1 3.48Å
305	L	94.7	Very high	94.5	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	14%	0.138	C	C	.	.	S	Bend	trans	-96.6	172.7	179.5	-67.9	168.4	0	0	0	111.3	L92 L302 Y309 S310 F445	L92-L305 HydrophobicContact CB-CD1 4.01Å; L92-L305 HydrophobicContact CB-CD2 3.95Å; L92-L305 HydrophobicContact CD1-CD1 4.42Å; L92-L305 HydrophobicContact CD2-CD1 3.86Å; L92-L305 HydrophobicContact CG-CD1 4.3Å; L302-L305 PolarHBondContact O-N 3.37Å; L305-Y309 HydrophobicContact CB-CG 4.36Å; L305-Y309 HydrophobicContact CD1-CD1 3.99Å; L305-Y309 HydrophobicContact CD1-CG 3.89Å; L305-S310 PolarHBondContact O-OG 2.81Å; L305-F445 HydrophobicContact CD1-CE2 4.4Å; L305-F445 HydrophobicContact CD2-CD2 3.56Å; L305-F445 HydrophobicContact CD2-CE2 3.5Å; L305-F445 VanDerWaalsContact CD2-CE2 3.5Å; L305-F445 HydrophobicContact CG-CD2 4Å; L305-F445 HydrophobicContact CG-CE2 3.84Å
306	E	94.8	Very high	94.4	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.033	14%	0.144	C	C	.	.			trans	-56.8	165.4	170.5	64.4	99	164.6	0	0	113.7	R308 Y309 S310	E306-R308 PolarHBondContact O-N 2.86Å; E306-R308 WeakPolarHBondContact OE1-CB 3.42Å; E306-R308 IonicContact OE1-CZ 3.48Å; E306-R308 IonicContact OE1-NE 3.51Å; E306-R308 PolarHBondContact OE1-NE 2.78Å; E306-R308 IonicContact OE1-NH2 3.2Å; E306-R308 PolarHBondContact OE1-NH2 3.37Å; E306-R308 WeakPolarHBondContact OE2-CB 3.4Å; E306-R308 WeakPolarHBondContact OE2-CG 3.38Å; E306-R308 PolarHBondContact OE2-N 3.03Å; E306-R308 IonicContact OE2-NE 3.58Å; E306-Y309 HydrophobicContact CG-CD2 4.32Å; E306-Y309 PolarHBondContact O-N 3.13Å; E306-Y309 VanDerWaalsContact O-N 3.13Å; E306-S310 PolarHBondContact O-N 3.12Å; E306-S310 PolarHBondContact O-OG 2.89Å; E306-S310 VanDerWaalsContact O-OG 3.07Å
307	R	94.2	Very high	94.1	Very high	137 Å²	137	31.7 Å²	31.7	52%	0.517	15%	0.145	S	C	.	.	H	α-helix	trans	-51.3	-45.3	-171.5	-83	172.1	-170.2	-162.9	2.5	115.7	E85 Y309 S310 D311	E85-R307 WeakPolarHBondContact OE1-CG 3.27Å; E85-R307 PolarHBondContact OE1-N 3.36Å; R307-Y309 PolarHBondContact O-N 2.78Å; R307-Y309 VanDerWaalsContact O-N 3.11Å; R307-S310 WeakPolarHBondContact CA-OG 3.18Å; R307-S310 PolarHBondContact O-N 3.39Å; R307-D311 WeakPolarHBondContact O-CB 3.47Å; R307-D311 PolarHBondContact O-N 3.18Å
308	R	96.1	Very high	94	Very high	100 Å²	100	36 Å²	36	38%	0.377	17%	0.165	S	C	.	.	H	α-helix	trans	-56.9	-33.8	-179	-60.3	-178.6	-61.8	132.4	4.1	112.5	L190 D194 E306	L190-R308 HydrophobicContact CD1-CB 4.08Å; L190-R308 WeakPolarHBondContact CD1-O 2.98Å; D194-R308 IonicContact OD1-CZ 3.68Å; D194-R308 IonicContact OD1-NH1 2.87Å; D194-R308 PolarHBondContact OD1-NH1 3.09Å; D194-R308 IonicContact OD1-NH2 2.93Å; D194-R308 PolarHBondContact OD1-NH2 2.83Å; D194-R308 IonicContact OD2-CZ 2.69Å; D194-R308 IonicContact OD2-NH1 3.34Å; D194-R308 PolarHBondContact OD2-NH1 3.48Å; D194-R308 IonicContact OD2-NH2 2.76Å; D194-R308 PolarHBondContact OD2-NH2 3.04Å; E306-R308 PolarHBondContact O-N 2.86Å; E306-R308 WeakPolarHBondContact OE1-CB 3.42Å; E306-R308 IonicContact OE1-CZ 3.48Å; E306-R308 IonicContact OE1-NE 3.51Å; E306-R308 PolarHBondContact OE1-NE 2.78Å; E306-R308 IonicContact OE1-NH2 3.2Å; E306-R308 PolarHBondContact OE1-NH2 3.37Å; E306-R308 WeakPolarHBondContact OE2-CB 3.4Å; E306-R308 WeakPolarHBondContact OE2-CG 3.38Å; E306-R308 PolarHBondContact OE2-N 3.03Å; E306-R308 IonicContact OE2-NE 3.58Å
309	Y	96	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-87.3	-47.4	176	-77.7	-91.5	0	0	0	112.6	L92 L190 I191 D194 L302 L305 E306 R307 D311 I312	L92-Y309 HydrophobicContact CD2-CD1 4.27Å; L92-Y309 HydrophobicContact CD2-CE1 3.8Å; L190-Y309 HydrophobicContact CB-CE1 4.22Å; I191-Y309 HydrophobicContact CG1-CE1 3.99Å; D194-Y309 WeakPolarHBondContact OD2-CE2 3.36Å; D194-Y309 PolarHBondContact OD2-OH 2.9Å; L302-Y309 HydrophobicContact CD2-CD1 3.93Å; L305-Y309 HydrophobicContact CB-CG 4.36Å; L305-Y309 HydrophobicContact CD1-CD1 3.99Å; L305-Y309 HydrophobicContact CD1-CG 3.89Å; E306-Y309 HydrophobicContact CG-CD2 4.32Å; E306-Y309 PolarHBondContact O-N 3.13Å; E306-Y309 VanDerWaalsContact O-N 3.13Å; R307-Y309 PolarHBondContact O-N 2.78Å; R307-Y309 VanDerWaalsContact O-N 3.11Å; Y309-D311 VanDerWaalsContact C-N 3.31Å; Y309-D311 PolarHBondContact O-N 3.32Å; Y309-I312 PolarHBondContact O-N 3.17Å
310	S	94.3	Very high	93.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.6	-33.2	-176.8	57.8	0	0	0	0	112.4	L302 L305 E306 R307 I312 Y313 Y314 R325	L302-S310 WeakPolarHBondContact O-CA 3.12Å; L302-S310 WeakPolarHBondContact O-CB 3.49Å; L305-S310 PolarHBondContact O-OG 2.81Å; E306-S310 PolarHBondContact O-N 3.12Å; E306-S310 PolarHBondContact O-OG 2.89Å; E306-S310 VanDerWaalsContact O-OG 3.07Å; R307-S310 WeakPolarHBondContact CA-OG 3.18Å; R307-S310 PolarHBondContact O-N 3.39Å; S310-I312 VanDerWaalsContact C-N 3.32Å; S310-I312 PolarHBondContact O-N 3.18Å; S310-Y313 WeakPolarHBondContact O-CB 3.45Å; S310-Y313 PolarHBondContact O-N 3.48Å; S310-Y313 VanDerWaalsContact O-N 3.13Å; S310-Y314 WeakPolarHBondContact O-CD2 3.48Å; S310-Y314 PolarHBondContact O-N 2.85Å; S310-Y314 VanDerWaalsContact O-N 3.08Å; S310-R325 PolarHBondContact OG-NH1 3.21Å
311	D	95.2	Very high	93.3	Very high	60 Å²	60	34.7 Å²	34.7	32%	0.321	16%	0.161	S	C	.	.	H	α-helix	trans	-65.6	-32.7	177.7	-67.2	-16.9	0	0	0	111.7	R307 Y309 Y313 Y314 D315 R325	R307-D311 WeakPolarHBondContact O-CB 3.47Å; R307-D311 PolarHBondContact O-N 3.18Å; Y309-D311 VanDerWaalsContact C-N 3.31Å; Y309-D311 PolarHBondContact O-N 3.32Å; D311-Y313 VanDerWaalsContact C-N 3.28Å; D311-Y313 PolarHBondContact O-N 3.43Å; D311-Y314 PolarHBondContact O-N 3.36Å; D311-D315 WeakPolarHBondContact O-CB 3.47Å; D311-D315 PolarHBondContact O-N 3.24Å; D311-R325 IonicContact OD1-CZ 3.18Å; D311-R325 IonicContact OD1-NH1 3.54Å; D311-R325 PolarHBondContact OD1-NH1 2.71Å
312	I	96.6	Very high	93.1	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.072	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-39	173.5	-61.8	168.3	0	0	0	111.2	A183 K186 I187 L190 Y309 S310 F316	A183-I312 HydrophobicContact CB-CG2 3.9Å; K186-I312 HydrophobicContact CB-CD1 3.77Å; K186-I312 HydrophobicContact CB-CG1 4.22Å; K186-I312 HydrophobicContact CB-CG2 4.34Å; K186-I312 HydrophobicContact CD-CG1 4.45Å; I187-I312 HydrophobicContact CD1-CG2 4.21Å; I187-I312 HydrophobicContact CG1-CD1 4.1Å; I187-I312 HydrophobicContact CG1-CG2 3.92Å; L190-I312 HydrophobicContact CD1-CD1 3.43Å; L190-I312 VanDerWaalsContact CD1-CD1 3.43Å; L190-I312 HydrophobicContact CG-CD1 4.17Å; Y309-I312 PolarHBondContact O-N 3.17Å; S310-I312 VanDerWaalsContact C-N 3.32Å; S310-I312 PolarHBondContact O-N 3.18Å; I312-F316 WeakPolarHBondContact O-CB 3.49Å; I312-F316 PolarHBondContact O-N 2.92Å; I312-F316 VanDerWaalsContact O-N 3.14Å
313	Y	92.9	Very high	92.8	Very high	66 Å²	66	39.6 Å²	39.6	26%	0.259	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-45.3	175.6	168.1	-95.3	0	0	0	111.3	E303 S310 D311 F316 L317	E303-Y313 HydrophobicContact CB-CD1 4.13Å; E303-Y313 HydrophobicContact CB-CE1 4.19Å; S310-Y313 WeakPolarHBondContact O-CB 3.45Å; S310-Y313 PolarHBondContact O-N 3.48Å; S310-Y313 VanDerWaalsContact O-N 3.13Å; D311-Y313 VanDerWaalsContact C-N 3.28Å; D311-Y313 PolarHBondContact O-N 3.43Å; Y313-F316 PolarHBondContact O-N 2.94Å; Y313-L317 HydrophobicContact CE1-CD2 4.29Å; Y313-L317 WeakPolarHBondContact O-CB 3.44Å; Y313-L317 PolarHBondContact O-N 3.46Å
314	Y	92.7	Very high	92.7	Very high	18 Å²	18	40.9 Å²	40.9	7%	0.071	20%	0.197	C	C	.	.	H	α-helix	trans	-71	-38.2	-179.4	-70.7	-66.9	0	0	0	112.9	S310 D311 F316 L317 E318 R325	S310-Y314 WeakPolarHBondContact O-CD2 3.48Å; S310-Y314 PolarHBondContact O-N 2.85Å; S310-Y314 VanDerWaalsContact O-N 3.08Å; D311-Y314 PolarHBondContact O-N 3.36Å; Y314-F316 VanDerWaalsContact C-N 3.28Å; Y314-F316 PolarHBondContact O-N 2.82Å; Y314-L317 HydrophobicContact CD1-CD2 4.25Å; Y314-L317 PolarHBondContact O-N 2.83Å; Y314-E318 WeakPolarHBondContact O-CB 3.45Å; Y314-E318 PolarHBondContact O-N 3.05Å; Y314-R325 HydrophobicContact CD1-CB 3.72Å; Y314-R325 HydrophobicContact CD1-CG 3.85Å; Y314-R325 HydrophobicContact CD2-CB 4.09Å; Y314-R325 VanDerWaalsContact CD2-CD 3.45Å; Y314-R325 HydrophobicContact CD2-CG 3.67Å; Y314-R325 HydrophobicContact CE1-CB 4.19Å; Y314-R325 HydrophobicContact CE1-CG 3.86Å; Y314-R325 HydrophobicContact CE2-CG 3.71Å; Y314-R325 HydrophobicContact CG-CB 3.68Å; Y314-R325 HydrophobicContact CG-CG 3.76Å
315	D	94.9	Very high	92.5	Very high	79 Å²	79	42.9 Å²	42.9	42%	0.422	20%	0.204	S	C	.	.	H	α-helix	trans	-55.5	-45.3	171	-77.1	-1.2	0	0	0	110.7	K186 D311 A319	K186-D315 IonicContact NZ-OD2 3.39Å; D311-D315 WeakPolarHBondContact O-CB 3.47Å; D311-D315 PolarHBondContact O-N 3.24Å; D315-A319 PolarHBondContact O-N 3.24Å
316	F	94.2	Very high	92.1	Very high	29 Å²	29	44.6 Å²	44.6	13%	0.127	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-42.8	177.1	174	-102.2	0	0	0	111.9	L158 A179 Y180 A183 I312 Y313 Y314 E318 A319 F320	L158-F316 HydrophobicContact CD2-CE1 3.99Å; L158-F316 HydrophobicContact CD2-CE2 4.14Å; L158-F316 HydrophobicContact CD2-CZ 3.28Å; A179-F316 HydrophobicContact CB-CD2 4.19Å; A179-F316 HydrophobicContact CB-CE2 4.3Å; Y180-F316 HydrophobicContact CD2-CE2 4.28Å; Y180-F316 HydrophobicContact CD2-CZ 4.27Å; Y180-F316 HydrophobicContact CG-CE2 4.43Å; A183-F316 HydrophobicContact CB-CB 4.1Å; A183-F316 HydrophobicContact CB-CD2 4.41Å; A183-F316 HydrophobicContact CB-CG 4.43Å; I312-F316 WeakPolarHBondContact O-CB 3.49Å; I312-F316 PolarHBondContact O-N 2.92Å; I312-F316 VanDerWaalsContact O-N 3.14Å; Y313-F316 PolarHBondContact O-N 2.94Å; Y314-F316 VanDerWaalsContact C-N 3.28Å; Y314-F316 PolarHBondContact O-N 2.82Å; F316-E318 VanDerWaalsContact C-N 3.3Å; F316-E318 PolarHBondContact O-N 2.62Å; F316-A319 PolarHBondContact O-N 3.31Å; F316-F320 HydrophobicContact CE1-CB 4.31Å; F316-F320 HydrophobicContact CE1-CD1 4.25Å; F316-F320 HydrophobicContact CZ-CB 4.09Å; F316-F320 HydrophobicContact CZ-CD1 4.31Å; F316-F320 HydrophobicContact CZ-CG 4.23Å; F316-F320 WeakPolarHBondContact O-CB 3.29Å; F316-F320 PolarHBondContact O-N 2.88Å
317	L	90.3	Very high	91.7	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-40.5	177.2	-178.2	63.3	0	0	0	111.6	Y313 Y314 F320 T321	Y313-L317 HydrophobicContact CE1-CD2 4.29Å; Y313-L317 WeakPolarHBondContact O-CB 3.44Å; Y313-L317 PolarHBondContact O-N 3.46Å; Y314-L317 HydrophobicContact CD1-CD2 4.25Å; Y314-L317 PolarHBondContact O-N 2.83Å; L317-F320 PolarHBondContact O-N 3.23Å; L317-T321 HydrophobicContact CD1-CG2 4.2Å; L317-T321 PolarHBondContact O-N 2.86Å; L317-T321 PolarHBondContact O-OG1 3.15Å
318	E	92.1	Very high	91.6	Very high	90 Å²	90	47.9 Å²	47.9	42%	0.421	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-46	175.6	-170.1	-177.6	159.7	0	0	110.7	Y314 F316 F320 T321 S322 Q323	Y314-E318 WeakPolarHBondContact O-CB 3.45Å; Y314-E318 PolarHBondContact O-N 3.05Å; F316-E318 VanDerWaalsContact C-N 3.3Å; F316-E318 PolarHBondContact O-N 2.62Å; E318-F320 PolarHBondContact O-N 3.44Å; E318-T321 PolarHBondContact O-N 3.31Å; E318-S322 WeakPolarHBondContact O-CA 3.48Å; E318-S322 PolarHBondContact O-N 3.31Å; E318-Q323 WeakPolarHBondContact CA-O 3.36Å
319	A	92.2	Very high	91.4	Very high	41 Å²	41	44.2 Å²	44.2	34%	0.339	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-35.1	173.2	0	0	0	0	0	112.5	I176 A179 D315 F316	I176-A319 VanDerWaalsContact CD1-O 3.31Å; I176-A319 WeakPolarHBondContact CD1-O 3.45Å; A179-A319 HydrophobicContact CB-CB 3.96Å; D315-A319 PolarHBondContact O-N 3.24Å; F316-A319 PolarHBondContact O-N 3.31Å
320	F	90.2	Very high	91.4	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.035	22%	0.22	C	C	.	.	H	α-helix	trans	-84.2	-25.6	-175.3	-171.3	-149.1	0	0	0	115	Y165 I176 F316 L317 E318 M658 K662	Y165-F320 HydrophobicContact CD1-CE2 4.22Å; Y165-F320 HydrophobicContact CD2-CE2 4.35Å; Y165-F320 HydrophobicContact CD2-CZ 4.43Å; Y165-F320 AromaticContact CE1-CE2 3.72Å; Y165-F320 HydrophobicContact CE1-CE2 3.72Å; Y165-F320 AromaticContact CE2-CE2 3.87Å; Y165-F320 HydrophobicContact CE2-CE2 3.87Å; Y165-F320 HydrophobicContact CE2-CZ 4.03Å; Y165-F320 AromaticContact CZ-CE2 3.52Å; I176-F320 HydrophobicContact CB-CD2 4.47Å; I176-F320 HydrophobicContact CD1-CB 4.41Å; I176-F320 HydrophobicContact CD1-CD2 3.87Å; I176-F320 HydrophobicContact CG1-CD2 3.93Å; I176-F320 HydrophobicContact CG1-CE2 4.4Å; I176-F320 HydrophobicContact CG2-CD2 3.65Å; I176-F320 HydrophobicContact CG2-CE2 3.86Å; I176-F320 HydrophobicContact CG2-CG 4.46Å; F316-F320 HydrophobicContact CE1-CB 4.31Å; F316-F320 HydrophobicContact CE1-CD1 4.25Å; F316-F320 HydrophobicContact CZ-CB 4.09Å; F316-F320 HydrophobicContact CZ-CD1 4.31Å; F316-F320 HydrophobicContact CZ-CG 4.23Å; F316-F320 WeakPolarHBondContact O-CB 3.29Å; F316-F320 PolarHBondContact O-N 2.88Å; L317-F320 PolarHBondContact O-N 3.23Å; E318-F320 PolarHBondContact O-N 3.44Å; F320-M658 WeakPolarHBondContact O-CG 3.46Å; F320-K662 HydrophobicContact CD1-CD 4.39Å; F320-K662 HydrophobicContact CE1-CD 3.95Å; F320-K662 HydrophobicContact CE2-CD 4.29Å; F320-K662 HydrophobicContact CE2-CG 4.47Å; F320-K662 HydrophobicContact CZ-CD 3.89Å; F320-K662 HydrophobicContact CZ-CG 4.21Å
321	T	87.5	Confident	91.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-138.3	-5.4	-172	59.5	0	0	0	0	114.8	L317 E318 Q323 T656 K662	L317-T321 HydrophobicContact CD1-CG2 4.2Å; L317-T321 PolarHBondContact O-N 2.86Å; L317-T321 PolarHBondContact O-OG1 3.15Å; E318-T321 PolarHBondContact O-N 3.31Å; T321-Q323 PolarHBondContact O-N 2.84Å; T321-Q323 VanDerWaalsContact OG1-CB 3.23Å; T321-Q323 WeakPolarHBondContact OG1-CB 3.32Å; T321-T656 PolarHBondContact O-OG1 3.13Å; T321-K662 HydrophobicContact CG2-CD 3.67Å
322	S	89.8	Confident	91	Very high	60 Å²	60	43.6 Å²	43.6	42%	0.42	22%	0.215	S	C	.	.	S	Bend	trans	55.9	34.6	-168.5	-52.8	0	0	0	0	112.7	E318 M658	E318-S322 WeakPolarHBondContact O-CA 3.48Å; E318-S322 PolarHBondContact O-N 3.31Å; S322-M658 WeakPolarHBondContact OG-CB 3.39Å
323	Q	86.7	Confident	90.9	Very high	46 Å²	46	43 Å²	43	22%	0.215	21%	0.211	C	C	.	.			trans	-107.4	120	176.5	-176	-177.6	-21.9	0	0	109.6	S33 A35 E318 T321	S33-Q323 VanDerWaalsContact O-CG 3.24Å; S33-Q323 WeakPolarHBondContact O-CG 3.36Å; S33-Q323 PolarHBondContact O-NE2 3.29Å; A35-Q323 HydrophobicContact CB-CB 4.11Å; E318-Q323 WeakPolarHBondContact CA-O 3.36Å; T321-Q323 PolarHBondContact O-N 2.84Å; T321-Q323 VanDerWaalsContact OG1-CB 3.23Å; T321-Q323 WeakPolarHBondContact OG1-CB 3.32Å
324	E	88	Confident	91	Very high	63 Å²	63	39.9 Å²	39.9	29%	0.294	20%	0.2	S	C	.	.			trans	-72.5	164.1	171.3	-64.4	-175.9	-166.7	0	0	111.8	E32 S33 K327	E32-E324 WeakPolarHBondContact O-CB 3.4Å; E32-E324 PolarHBondContact O-N 3.31Å; E32-E324 VanDerWaalsContact O-N 3.07Å; S33-E324 WeakPolarHBondContact CA-O 3.39Å; E324-K327 WeakPolarHBondContact OE2-CE 3.41Å; E324-K327 IonicContact OE2-NZ 2.8Å; E324-K327 PolarHBondContact OE2-NZ 2.98Å
325	R	88.5	Confident	90.8	Very high	50 Å²	50	40.4 Å²	40.4	19%	0.189	21%	0.207	C	C	.	.			trans	-53.6	140.1	169.9	-178	173.2	-179.2	148.3	4.1	111.3	S33 S310 D311 Y314 K327	S33-R325 WeakPolarHBondContact CB-O 3.4Å; S310-R325 PolarHBondContact OG-NH1 3.21Å; D311-R325 IonicContact OD1-CZ 3.18Å; D311-R325 IonicContact OD1-NH1 3.54Å; D311-R325 PolarHBondContact OD1-NH1 2.71Å; Y314-R325 HydrophobicContact CD1-CB 3.72Å; Y314-R325 HydrophobicContact CD1-CG 3.85Å; Y314-R325 HydrophobicContact CD2-CB 4.09Å; Y314-R325 VanDerWaalsContact CD2-CD 3.45Å; Y314-R325 HydrophobicContact CD2-CG 3.67Å; Y314-R325 HydrophobicContact CE1-CB 4.19Å; Y314-R325 HydrophobicContact CE1-CG 3.86Å; Y314-R325 HydrophobicContact CE2-CG 3.71Å; Y314-R325 HydrophobicContact CG-CB 3.68Å; Y314-R325 HydrophobicContact CG-CG 3.76Å; R325-K327 PolarHBondContact O-N 2.95Å
326	I	85.9	Confident	90.7	Very high	42 Å²	42	37.2 Å²	37.2	22%	0.215	19%	0.19	C	C	.	.			trans	-63.9	111.5	171.3	-58.7	176.5	0	0	0	108.8	D328 K331	I326-D328 WeakPolarHBondContact CG2-O 3.38Å; I326-K331 HydrophobicContact CG2-CB 4.03Å; I326-K331 HydrophobicContact CG2-CD 4.23Å; I326-K331 HydrophobicContact CG2-CG 4.27Å
327	K	88.4	Confident	90.6	Very high	140 Å²	140	35.9 Å²	35.9	61%	0.609	18%	0.184	S	C	*	.	S	Bend	trans	-73.5	-32.8	-178.5	-63.1	176.2	-174.4	168.1	0	112.4	E32 E324 R325 R329	E32-K327 IonicContact OE2-NZ 3.79Å; E32-K327 PolarHBondContact OE2-NZ 3.35Å; E324-K327 WeakPolarHBondContact OE2-CE 3.41Å; E324-K327 IonicContact OE2-NZ 2.8Å; E324-K327 PolarHBondContact OE2-NZ 2.98Å; R325-K327 PolarHBondContact O-N 2.95Å; K327-R329 PolarHBondContact O-N 2.69Å
328	D	91.3	Very high	90.6	Very high	73 Å²	73	35.3 Å²	35.3	39%	0.39	18%	0.181	S	C	.	.			trans	-83	103.9	174.2	-173.9	-13.1	0	0	0	110.8	K52 I326 S330 K331 Y332	K52-D328 IonicContact NZ-OD1 3.25Å; K52-D328 IonicContact NZ-OD2 3.24Å; K52-D328 PolarHBondContact NZ-OD2 2.8Å; I326-D328 WeakPolarHBondContact CG2-O 3.38Å; D328-S330 PolarHBondContact O-N 3.09Å; D328-S330 WeakPolarHBondContact OD1-CB 3.23Å; D328-S330 PolarHBondContact OD1-N 3.15Å; D328-S330 PolarHBondContact OD1-OG 3.45Å; D328-S330 PolarHBondContact OD2-OG 3.12Å; D328-S330 VanDerWaalsContact OD2-OG 3.12Å; D328-K331 HydrophobicContact CB-CB 4.12Å; D328-K331 WeakPolarHBondContact O-CB 3.08Å; D328-K331 PolarHBondContact O-N 2.98Å; D328-K331 VanDerWaalsContact O-N 3.07Å; D328-Y332 PolarHBondContact O-N 2.95Å
329	R	92.7	Very high	89.8	Confident	23 Å²	23	31.4 Å²	31.4	9%	0.087	17%	0.165	C	C	.	.	H	α-helix	trans	-54.4	-36	177.9	-173.3	62.7	-179.5	175.8	2.5	113	C78 M79 E81 K327 K331 Y332 C333	C78-R329 VanDerWaalsContact O-CZ 3.23Å; C78-R329 PolarHBondContact O-NE 3.38Å; C78-R329 PolarHBondContact O-NH2 2.77Å; M79-R329 HydrophobicContact SD-CB 4.45Å; M79-R329 HydrophobicContact SD-CG 4.12Å; E81-R329 HydrophobicContact CG-CG 3.89Å; K327-R329 PolarHBondContact O-N 2.69Å; R329-K331 PolarHBondContact O-N 3.44Å; R329-Y332 WeakPolarHBondContact O-CB 3.28Å; R329-Y332 PolarHBondContact O-N 2.87Å; R329-C333 PolarHBondContact O-N 2.94Å; R329-C333 PolarHBondContact O-SG 3.28Å
330	S	94.1	Very high	88.3	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-35	-180	69.1	0	0	0	0	112.9	K52 M79 D328 Y332 C333 V334	K52-S330 WeakPolarHBondContact CD-OG 3.33Å; K52-S330 WeakPolarHBondContact CE-OG 3.36Å; K52-S330 PolarHBondContact NZ-OG 2.84Å; M79-S330 WeakPolarHBondContact SD-CA 3.29Å; D328-S330 PolarHBondContact O-N 3.09Å; D328-S330 WeakPolarHBondContact OD1-CB 3.23Å; D328-S330 PolarHBondContact OD1-N 3.15Å; D328-S330 PolarHBondContact OD1-OG 3.45Å; D328-S330 PolarHBondContact OD2-OG 3.12Å; D328-S330 VanDerWaalsContact OD2-OG 3.12Å; S330-Y332 VanDerWaalsContact C-N 3.34Å; S330-C333 PolarHBondContact O-N 3.1Å; S330-V334 WeakPolarHBondContact O-CB 3.31Å; S330-V334 VanDerWaalsContact O-CG2 3.3Å; S330-V334 WeakPolarHBondContact O-CG2 2.91Å; S330-V334 PolarHBondContact O-N 3.41Å
331	K	91.7	Very high	85.9	Confident	40 Å²	40	36.9 Å²	36.9	17%	0.174	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-42.1	174.5	-175	174.7	-177	170.7	0	110.5	E31 D45 I326 D328 R329 A335	E31-K331 IonicContact OE2-NZ 2.8Å; E31-K331 PolarHBondContact OE2-NZ 3.2Å; D45-K331 VanDerWaalsContact CG-NZ 3.28Å; D45-K331 WeakPolarHBondContact OD1-CE 3.36Å; D45-K331 IonicContact OD1-NZ 2.71Å; D45-K331 PolarHBondContact OD1-NZ 2.92Å; D45-K331 IonicContact OD2-NZ 3.35Å; D45-K331 PolarHBondContact OD2-NZ 3.2Å; I326-K331 HydrophobicContact CG2-CB 4.03Å; I326-K331 HydrophobicContact CG2-CD 4.23Å; I326-K331 HydrophobicContact CG2-CG 4.27Å; D328-K331 HydrophobicContact CB-CB 4.12Å; D328-K331 WeakPolarHBondContact O-CB 3.08Å; D328-K331 PolarHBondContact O-N 2.98Å; D328-K331 VanDerWaalsContact O-N 3.07Å; R329-K331 PolarHBondContact O-N 3.44Å; K331-A335 WeakPolarHBondContact O-CB 2.99Å; K331-A335 PolarHBondContact O-N 2.94Å; K331-A335 VanDerWaalsContact O-N 3.08Å
332	Y	91.2	Very high	83.3	Confident	7 Å²	7	41 Å²	41	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-48.8	172.9	172.4	-89.9	0	0	0	111.8	F304 D328 R329 S330 V334 A335 Y336 F444	F304-Y332 WeakPolarHBondContact CE1-OH 3.07Å; D328-Y332 PolarHBondContact O-N 2.95Å; R329-Y332 WeakPolarHBondContact O-CB 3.28Å; R329-Y332 PolarHBondContact O-N 2.87Å; S330-Y332 VanDerWaalsContact C-N 3.34Å; Y332-V334 PolarHBondContact O-N 3.06Å; Y332-A335 PolarHBondContact O-N 2.93Å; Y332-Y336 WeakPolarHBondContact O-CB 3.36Å; Y332-Y336 PolarHBondContact O-N 2.95Å; Y332-F444 AromaticContact CE1-CE1 3.83Å; Y332-F444 HydrophobicContact CE1-CE1 3.83Å; Y332-F444 HydrophobicContact CE1-CZ 4.03Å
333	C	94.1	Very high	81.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-37.2	-177.8	-64.1	0	0	0	0	113.2	Y75 C78 M79 R329 S330 L337	Y75-C333 HydrophobicContact CD2-CB 3.82Å; Y75-C333 HydrophobicContact CE2-CB 3.75Å; C78-C333 HydrophobicContact CB-CB 3.73Å; C78-C333 WeakPolarHBondContact CB-SG 3.27Å; C78-C333 PolarHBondContact O-SG 3.41Å; C78-C333 WeakPolarHBondContact SG-CA 3.44Å; C78-C333 WeakPolarHBondContact SG-CB 3.24Å; C78-C333 CovalentContact SG-SG 2.03Å; C78-C333 PolarHBondContact SG-SG 3.22Å; M79-C333 HydrophobicContact SD-CB 4.2Å; R329-C333 PolarHBondContact O-N 2.94Å; R329-C333 PolarHBondContact O-SG 3.28Å; S330-C333 PolarHBondContact O-N 3.1Å; C333-L337 WeakPolarHBondContact O-CG 3.33Å; C333-L337 PolarHBondContact O-N 3.12Å
334	V	93.9	Very high	79.1	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-49.3	172.5	171.8	0	0	0	0	110.3	L51 K52 L55 Y75 S330 Y332 Y336 L337 T338	L51-V334 HydrophobicContact CB-CG1 3.82Å; L51-V334 HydrophobicContact CB-CG2 4.44Å; L51-V334 HydrophobicContact CD1-CG1 3.87Å; K52-V334 HydrophobicContact CB-CG2 4.25Å; L55-V334 HydrophobicContact CD1-CG2 3.99Å; Y75-V334 HydrophobicContact CE2-CG2 4.25Å; S330-V334 WeakPolarHBondContact O-CB 3.31Å; S330-V334 VanDerWaalsContact O-CG2 3.3Å; S330-V334 WeakPolarHBondContact O-CG2 2.91Å; S330-V334 PolarHBondContact O-N 3.41Å; Y332-V334 PolarHBondContact O-N 3.06Å; V334-Y336 VanDerWaalsContact C-N 3.26Å; V334-Y336 PolarHBondContact O-N 2.82Å; V334-L337 PolarHBondContact O-N 3.21Å; V334-L337 VanDerWaalsContact O-N 3.1Å; V334-T338 HydrophobicContact CG1-CG2 4.18Å; V334-T338 WeakPolarHBondContact O-CG2 3.37Å; V334-T338 PolarHBondContact O-N 3.43Å; V334-T338 PolarHBondContact O-OG1 3.43Å; V334-T338 VanDerWaalsContact O-OG1 3.1Å
335	A	89.9	Confident	77.9	Confident	28 Å²	28	43.5 Å²	43.5	23%	0.231	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-37.5	178.9	0	0	0	0	0	112.7	K331 Y332 T338 G339	K331-A335 WeakPolarHBondContact O-CB 2.99Å; K331-A335 PolarHBondContact O-N 2.94Å; K331-A335 VanDerWaalsContact O-N 3.08Å; Y332-A335 PolarHBondContact O-N 2.93Å; A335-T338 PolarHBondContact O-OG1 3.24Å; A335-G339 CarbonylContact O-C 2.94Å; A335-G339 VanDerWaalsContact O-C 3.24Å; A335-G339 WeakPolarHBondContact O-CA 3.43Å; A335-G339 PolarHBondContact O-N 3.04Å
336	Y	91.4	Very high	76.9	Confident	13 Å²	13	43.3 Å²	43.3	5%	0.051	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-44.5	174.5	174	-100.7	0	0	0	112.6	V74 F304 Y332 V334 F347 F444 N448 M451	V74-Y336 HydrophobicContact CG1-CD1 4.39Å; V74-Y336 HydrophobicContact CG1-CE1 3.8Å; F304-Y336 AromaticContact CE1-CD2 3.91Å; F304-Y336 HydrophobicContact CE1-CD2 3.91Å; F304-Y336 AromaticContact CE1-CE2 3.41Å; F304-Y336 HydrophobicContact CE1-CE2 3.41Å; F304-Y336 VanDerWaalsContact CE1-CE2 3.41Å; F304-Y336 HydrophobicContact CZ-CD2 4.23Å; F304-Y336 AromaticContact CZ-CE2 3.8Å; F304-Y336 HydrophobicContact CZ-CE2 3.8Å; Y332-Y336 WeakPolarHBondContact O-CB 3.36Å; Y332-Y336 PolarHBondContact O-N 2.95Å; V334-Y336 VanDerWaalsContact C-N 3.26Å; V334-Y336 PolarHBondContact O-N 2.82Å; Y336-F347 HydrophobicContact CD1-CD2 4.44Å; Y336-F347 HydrophobicContact CD2-CD2 4.11Å; Y336-F347 AromaticContact CD2-CE2 3.83Å; Y336-F347 HydrophobicContact CD2-CE2 3.83Å; Y336-F347 HydrophobicContact CE1-CD2 4.09Å; Y336-F347 HydrophobicContact CE1-CE2 4.45Å; Y336-F347 AromaticContact CE2-CD2 3.7Å; Y336-F347 HydrophobicContact CE2-CD2 3.7Å; Y336-F347 AromaticContact CE2-CE2 3.26Å; Y336-F347 HydrophobicContact CE2-CE2 3.26Å; Y336-F347 HydrophobicContact CE2-CZ 4.28Å; Y336-F347 HydrophobicContact CG-CD2 4.48Å; Y336-F347 AromaticContact CZ-CD2 3.73Å; Y336-F347 AromaticContact CZ-CE2 3.67Å; Y336-F444 AromaticContact CD1-CE2 3.77Å; Y336-F444 HydrophobicContact CD1-CE2 3.77Å; Y336-F444 AromaticContact CD1-CZ 3.83Å; Y336-F444 HydrophobicContact CD1-CZ 3.83Å; Y336-F444 HydrophobicContact CD2-CZ 4.07Å; Y336-F444 AromaticContact CE1-CE2 3.36Å; Y336-F444 HydrophobicContact CE1-CE2 3.36Å; Y336-F444 AromaticContact CE1-CZ 3.71Å; Y336-F444 HydrophobicContact CE1-CZ 3.71Å; Y336-F444 HydrophobicContact CE2-CE2 4.37Å; Y336-F444 AromaticContact CE2-CZ 3.97Å; Y336-F444 HydrophobicContact CE2-CZ 3.97Å; Y336-F444 HydrophobicContact CG-CE2 4.38Å; Y336-F444 AromaticContact CG-CZ 3.97Å; Y336-F444 HydrophobicContact CG-CZ 3.97Å; Y336-F444 AromaticContact CZ-CE2 3.67Å; Y336-F444 AromaticContact CZ-CZ 3.75Å; Y336-N448 HydrophobicContact CE2-CB 4.47Å; Y336-N448 WeakPolarHBondContact CE2-OD1 3.06Å; Y336-N448 WeakPolarHBondContact OH-CA 3.4Å; Y336-N448 WeakPolarHBondContact OH-CB 3.43Å; Y336-N448 PolarHBondContact OH-OD1 3.49Å; Y336-M451 HydrophobicContact CE1-CE 3.44Å; Y336-M451 VanDerWaalsContact CE1-CE 3.44Å; Y336-M451 HydrophobicContact CE2-CE 4.46Å; Y336-M451 WeakPolarHBondContact OH-CE 3.47Å
337	L	93.5	Very high	76.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.7	-38.4	-179.7	-70.9	169.5	0	0	0	112.9	L55 L71 V74 Y75 C333 V334 L348 G349 M352	L55-L337 HydrophobicContact CD1-CD1 4.11Å; L71-L337 HydrophobicContact CD1-CB 4.39Å; L71-L337 HydrophobicContact CD1-CD1 3.89Å; L71-L337 HydrophobicContact CD1-CD2 3.77Å; L71-L337 HydrophobicContact CD1-CG 4.23Å; V74-L337 HydrophobicContact CB-CD2 4.01Å; V74-L337 HydrophobicContact CG1-CD2 3.52Å; Y75-L337 HydrophobicContact CD2-CD1 3.86Å; Y75-L337 HydrophobicContact CG-CD1 4.3Å; C333-L337 WeakPolarHBondContact O-CG 3.33Å; C333-L337 PolarHBondContact O-N 3.12Å; V334-L337 PolarHBondContact O-N 3.21Å; V334-L337 VanDerWaalsContact O-N 3.1Å; L337-L348 HydrophobicContact CD2-CB 4.29Å; L337-L348 HydrophobicContact CD2-CD1 3.96Å; L337-L348 HydrophobicContact CD2-CG 4.43Å; L337-L348 CarbonylContact O-C 3.55Å; L337-L348 PolarHBondContact O-N 2.82Å; L337-G349 PolarHBondContact O-N 3.24Å; L337-M352 HydrophobicContact CB-CG 4.15Å
338	T	88.7	Confident	77.2	Confident	13 Å²	13	34.8 Å²	34.8	8%	0.08	22%	0.221	C	C	.	.	H	α-helix	trans	-83.6	-18.3	-176.3	60	0	0	0	0	113.5	L51 V334 A335 M352 S475 V477	L51-T338 HydrophobicContact CD1-CG2 3.81Å; V334-T338 HydrophobicContact CG1-CG2 4.18Å; V334-T338 WeakPolarHBondContact O-CG2 3.37Å; V334-T338 PolarHBondContact O-N 3.43Å; V334-T338 PolarHBondContact O-OG1 3.43Å; V334-T338 VanDerWaalsContact O-OG1 3.1Å; A335-T338 PolarHBondContact O-OG1 3.24Å; T338-M352 HydrophobicContact CG2-CB 4.17Å; T338-M352 HydrophobicContact CG2-CE 4.07Å; T338-M352 HydrophobicContact CG2-CG 4.07Å; T338-S475 WeakPolarHBondContact O-CB 3.43Å; T338-S475 PolarHBondContact O-OG 3.12Å; T338-V477 HydrophobicContact CG2-CG2 3.41Å; T338-V477 VanDerWaalsContact CG2-CG2 3.41Å
339	G	76	Confident	77.3	Confident	7 Å²	7	31.4 Å²	31.4	7%	0.072	20%	0.203	C	C	.	.			trans	90.5	151.8	-167.9	0	0	0	0	0	112.3	A335 Q345	A335-G339 CarbonylContact O-C 2.94Å; A335-G339 VanDerWaalsContact O-C 3.24Å; A335-G339 WeakPolarHBondContact O-CA 3.43Å; A335-G339 PolarHBondContact O-N 3.04Å; G339-Q345 WeakPolarHBondContact CA-O 3.23Å
340	K	60.8	Low	77.3	Confident	85 Å²	85	31.7 Å²	31.7	37%	0.37	20%	0.204	S	C	.	.			trans	-93.8	132	170.8	-66.6	177.4	-176.2	167.6	0	108.4	E303 G342 V343	E303-K340 IonicContact OE1-NZ 3.88Å; E303-K340 IonicContact OE2-NZ 3.7Å; E303-K340 PolarHBondContact OE2-NZ 3.09Å; K340-G342 PolarHBondContact O-N 3.31Å; K340-V343 HydrophobicContact CB-CB 4.39Å; K340-V343 HydrophobicContact CB-CG2 4.11Å; K340-V343 PolarHBondContact O-N 3.08Å
341	S	39.3	Very low	77.3	Confident	79 Å²	79	31.7 Å²	31.7	55%	0.552	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	126.8	174.1	-71.1	0	0	0	0	111
342	G	34	Very low	77.4	Confident	88 Å²	88	29.8 Å²	29.8	91%	0.907	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-2	-178.8	0	0	0	0	0	115.4	K340	K340-G342 PolarHBondContact O-N 3.31Å
343	V	44.2	Very low	77.6	Confident	67 Å²	67	29.5 Å²	29.5	41%	0.406	19%	0.194	S	C	.	.			trans	-115.8	120.1	171.7	-168.4	0	0	0	0	107.7	K340 Q345	K340-V343 HydrophobicContact CB-CB 4.39Å; K340-V343 HydrophobicContact CB-CG2 4.11Å; K340-V343 PolarHBondContact O-N 3.08Å; V343-Q345 HydrophobicContact CG1-CB 4.03Å; V343-Q345 HydrophobicContact CG1-CG 3.92Å; V343-Q345 PolarHBondContact O-N 3.21Å
344	A	43	Very low	77.6	Confident	87 Å²	87	30.9 Å²	30.9	72%	0.719	20%	0.201	S	C	*	.			trans	-69.5	22	-177.5	0	0	0	0	0	114.5
345	Q	62.8	Low	77.6	Confident	68 Å²	68	31.2 Å²	31.2	32%	0.318	20%	0.202	S	C	.	.			trans	-103.3	80.5	-177.2	-67.6	176.6	-1.4	0	0	109.4	G339 V343 F347 L452 L455	G339-Q345 WeakPolarHBondContact CA-O 3.23Å; V343-Q345 HydrophobicContact CG1-CB 4.03Å; V343-Q345 HydrophobicContact CG1-CG 3.92Å; V343-Q345 PolarHBondContact O-N 3.21Å; Q345-F347 HydrophobicContact CB-CE1 4.32Å; Q345-F347 HydrophobicContact CB-CE2 4.5Å; Q345-F347 HydrophobicContact CB-CZ 4.07Å; Q345-L452 HydrophobicContact CG-CD2 4.2Å; Q345-L455 HydrophobicContact CG-CD2 4.21Å
346	E	69.3	Low	77.8	Confident	46 Å²	46	30 Å²	30	22%	0.215	19%	0.192	C	C	.	.			trans	-103.8	95.9	172.1	-62.9	179.5	164.9	0	0	108.8	G474 S475 I478	E346-G474 VanDerWaalsContact OE1-C 3.28Å; E346-G474 WeakPolarHBondContact OE1-CA 3.12Å; E346-G474 WeakPolarHBondContact OE2-CA 3.43Å; E346-S475 PolarHBondContact OE1-N 2.86Å; E346-S475 PolarHBondContact OE2-N 3.03Å; E346-I478 VanDerWaalsContact OE1-CD1 3.23Å; E346-I478 WeakPolarHBondContact OE1-CD1 3.35Å
347	F	85.4	Confident	77.9	Confident	4 Å²	4	30 Å²	30	2%	0.018	19%	0.193	C	C	.	.	S	Bend	trans	-71.5	-61.3	-173.2	-61.4	-52.9	0	0	0	111.5	Y336 Q345 Y423 M451 L452	Y336-F347 HydrophobicContact CD1-CD2 4.44Å; Y336-F347 HydrophobicContact CD2-CD2 4.11Å; Y336-F347 AromaticContact CD2-CE2 3.83Å; Y336-F347 HydrophobicContact CD2-CE2 3.83Å; Y336-F347 HydrophobicContact CE1-CD2 4.09Å; Y336-F347 HydrophobicContact CE1-CE2 4.45Å; Y336-F347 AromaticContact CE2-CD2 3.7Å; Y336-F347 HydrophobicContact CE2-CD2 3.7Å; Y336-F347 AromaticContact CE2-CE2 3.26Å; Y336-F347 HydrophobicContact CE2-CE2 3.26Å; Y336-F347 HydrophobicContact CE2-CZ 4.28Å; Y336-F347 HydrophobicContact CG-CD2 4.48Å; Y336-F347 AromaticContact CZ-CD2 3.73Å; Y336-F347 AromaticContact CZ-CE2 3.67Å; Q345-F347 HydrophobicContact CB-CE1 4.32Å; Q345-F347 HydrophobicContact CB-CE2 4.5Å; Q345-F347 HydrophobicContact CB-CZ 4.07Å; F347-Y423 WeakPolarHBondContact O-CE1 3.19Å; F347-M451 HydrophobicContact CB-CE 4Å; F347-M451 HydrophobicContact CB-SD 3.64Å; F347-M451 HydrophobicContact CD1-CB 3.51Å; F347-M451 HydrophobicContact CD1-CE 4.27Å; F347-M451 HydrophobicContact CD1-CG 4.42Å; F347-M451 HydrophobicContact CD1-SD 4.31Å; F347-M451 HydrophobicContact CD2-CE 3.8Å; F347-M451 HydrophobicContact CE1-CB 3.75Å; F347-M451 HydrophobicContact CE2-CE 4.33Å; F347-M451 HydrophobicContact CG-CB 4.08Å; F347-M451 HydrophobicContact CG-CE 3.76Å; F347-M451 HydrophobicContact CG-SD 3.93Å; F347-L452 HydrophobicContact CE1-CD2 4Å; F347-L452 HydrophobicContact CE1-CG 4.29Å; F347-L452 HydrophobicContact CZ-CD2 3.94Å; F347-L452 HydrophobicContact CZ-CG 4.23Å
348	L	93.9	Very high	77.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-121.5	28.8	-175	-59.5	-178.8	0	0	0	112.4	L70 L71 V74 L337 Y350 A351 M352 Y423 L426	L70-L348 HydrophobicContact CD2-CD2 4.2Å; L70-L348 HydrophobicContact CG-CD1 4.33Å; L71-L348 HydrophobicContact CB-CD1 4.16Å; L71-L348 HydrophobicContact CD1-CB 3.79Å; L71-L348 HydrophobicContact CD1-CD1 3.87Å; L71-L348 HydrophobicContact CD1-CG 4.5Å; V74-L348 HydrophobicContact CB-CD1 4.2Å; V74-L348 HydrophobicContact CG2-CD1 4Å; L337-L348 HydrophobicContact CD2-CB 4.29Å; L337-L348 HydrophobicContact CD2-CD1 3.96Å; L337-L348 HydrophobicContact CD2-CG 4.43Å; L337-L348 CarbonylContact O-C 3.55Å; L337-L348 PolarHBondContact O-N 2.82Å; L348-Y350 VanDerWaalsContact C-N 3.32Å; L348-Y350 PolarHBondContact O-N 3.01Å; L348-A351 HydrophobicContact CB-CB 4.42Å; L348-A351 WeakPolarHBondContact O-CB 3.32Å; L348-A351 PolarHBondContact O-N 2.84Å; L348-M352 PolarHBondContact O-N 2.93Å; L348-Y423 VanDerWaalsContact C-OH 3.31Å; L348-Y423 WeakPolarHBondContact CA-OH 3.45Å; L348-Y423 HydrophobicContact CD2-CD1 3.67Å; L348-Y423 HydrophobicContact CD2-CD2 4.27Å; L348-Y423 HydrophobicContact CD2-CE1 3.58Å; L348-Y423 HydrophobicContact CD2-CE2 4.18Å; L348-Y423 HydrophobicContact CD2-CG 4.02Å; L348-L426 HydrophobicContact CD2-CD1 4.21Å
349	G	92.6	Very high	78	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-55.7	-38.5	-176.2	0	0	0	0	0	114.4	L337 M352 G353 S475	L337-G349 PolarHBondContact O-N 3.24Å; G349-M352 PolarHBondContact O-N 2.93Å; G349-G353 PolarHBondContact O-N 2.99Å; G349-S475 WeakPolarHBondContact CA-OG 3.38Å
350	Y	93.6	Very high	78.7	Confident	30 Å²	30	44.3 Å²	44.3	12%	0.118	25%	0.251	C	S	.	.	H	α-helix	trans	-71.9	-34.2	176	-67.7	-14	0	0	0	113.4	L348 G353 K354 P413 E415 I416 I422 Y423 F472 G474 P476	L348-Y350 VanDerWaalsContact C-N 3.32Å; L348-Y350 PolarHBondContact O-N 3.01Å; Y350-G353 PolarHBondContact O-N 3.36Å; Y350-K354 PolarHBondContact O-N 3.41Å; Y350-P413 HydrophobicContact CD1-CG 4.12Å; Y350-P413 HydrophobicContact CE1-CG 3.68Å; Y350-P413 HydrophobicContact CE2-CG 4.42Å; Y350-E415 HydrophobicContact CE2-CB 4.49Å; Y350-I416 HydrophobicContact CG-CG2 4.43Å; Y350-I422 HydrophobicContact CD2-CD1 3.56Å; Y350-I422 HydrophobicContact CD2-CG2 4.44Å; Y350-I422 HydrophobicContact CE2-CD1 4.11Å; Y350-Y423 WeakPolarHBondContact CB-OH 3.46Å; Y350-Y423 PolarHBondContact N-OH 3.46Å; Y350-F472 HydrophobicContact CE1-CB 4.38Å; Y350-F472 HydrophobicContact CE1-CD1 4.4Å; Y350-G474 WeakPolarHBondContact CE1-O 3.37Å; Y350-P476 HydrophobicContact CD1-CG 4.12Å
351	A	94.9	Very high	79.8	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-44	173.4	0	0	0	0	0	110.7	I68 L71 L348 K354 I355 L419 Y423	I68-A351 HydrophobicContact CD1-CB 4.37Å; L71-A351 HydrophobicContact CB-CB 4.34Å; L71-A351 HydrophobicContact CD2-CB 3.95Å; L348-A351 HydrophobicContact CB-CB 4.42Å; L348-A351 WeakPolarHBondContact O-CB 3.32Å; L348-A351 PolarHBondContact O-N 2.84Å; A351-K354 PolarHBondContact O-N 3.13Å; A351-I355 PolarHBondContact O-N 3.29Å; A351-L419 HydrophobicContact CB-CD1 3.98Å; A351-Y423 HydrophobicContact CB-CE2 3.92Å
352	M	94	Very high	82.1	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-43.8	172.5	-70.4	-59.5	-75.7	0	0	112.1	L51 L55 L71 L337 T338 L348 G349 K354 I355 F356 V477	L51-M352 HydrophobicContact CB-CE 3.69Å; L51-M352 HydrophobicContact CD1-CE 3.78Å; L51-M352 HydrophobicContact CD2-CE 3.52Å; L51-M352 HydrophobicContact CG-CE 3.84Å; L55-M352 HydrophobicContact CD1-CE 3.77Å; L55-M352 HydrophobicContact CD1-SD 4.16Å; L55-M352 HydrophobicContact CD2-CE 4.45Å; L55-M352 HydrophobicContact CD2-SD 3.85Å; L55-M352 HydrophobicContact CG-CE 4.14Å; L55-M352 HydrophobicContact CG-SD 4.19Å; L71-M352 HydrophobicContact CD1-CG 3.88Å; L71-M352 HydrophobicContact CD1-SD 3.66Å; L71-M352 HydrophobicContact CD2-CG 4.35Å; L71-M352 HydrophobicContact CD2-SD 3.63Å; L71-M352 HydrophobicContact CG-SD 4.11Å; L337-M352 HydrophobicContact CB-CG 4.15Å; T338-M352 HydrophobicContact CG2-CB 4.17Å; T338-M352 HydrophobicContact CG2-CE 4.07Å; T338-M352 HydrophobicContact CG2-CG 4.07Å; L348-M352 PolarHBondContact O-N 2.93Å; G349-M352 PolarHBondContact O-N 2.93Å; M352-K354 VanDerWaalsContact C-N 3.33Å; M352-K354 PolarHBondContact O-N 3.39Å; M352-I355 PolarHBondContact O-N 3.1Å; M352-F356 WeakPolarHBondContact O-CB 3.18Å; M352-F356 PolarHBondContact O-N 3.42Å; M352-V477 HydrophobicContact CB-CG1 4.49Å
353	G	94.1	Very high	84.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.5	-42.3	175.9	0	0	0	0	0	113	G349 Y350 F356 V357	G349-G353 PolarHBondContact O-N 2.99Å; Y350-G353 PolarHBondContact O-N 3.36Å; G353-F356 PolarHBondContact O-N 3Å; G353-V357 WeakPolarHBondContact O-CB 3.28Å; G353-V357 VanDerWaalsContact O-CG2 3.28Å; G353-V357 WeakPolarHBondContact O-CG2 3.46Å; G353-V357 PolarHBondContact O-N 3.1Å
354	K	94	Very high	86	Confident	30 Å²	30	46 Å²	46	13%	0.13	23%	0.226	C	C	.	.	H	α-helix	trans	-58.5	-49.7	175	-172	-178.5	-169.7	163.1	0	111.9	Y350 A351 M352 Q358 I416 L419	Y350-K354 PolarHBondContact O-N 3.41Å; A351-K354 PolarHBondContact O-N 3.13Å; M352-K354 VanDerWaalsContact C-N 3.33Å; M352-K354 PolarHBondContact O-N 3.39Å; K354-Q358 WeakPolarHBondContact O-CB 3.35Å; K354-Q358 WeakPolarHBondContact O-CG 3.23Å; K354-Q358 PolarHBondContact O-N 2.9Å; K354-I416 HydrophobicContact CB-CB 4.28Å; K354-I416 WeakPolarHBondContact CD-O 2.79Å; K354-L419 HydrophobicContact CB-CD1 4.36Å; K354-L419 HydrophobicContact CD-CD1 3.68Å; K354-L419 HydrophobicContact CD-CG 4.26Å
355	I	94.2	Very high	88.2	Confident	9 Å²	9	47.6 Å²	47.6	5%	0.046	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-46.5	179.4	-64.8	170.9	0	0	0	110.2	F54 L58 I68 L71 A351 M352 Q358 R359	F54-I355 HydrophobicContact CB-CG2 3.59Å; F54-I355 HydrophobicContact CD2-CG2 4.05Å; F54-I355 HydrophobicContact CG-CG2 4.14Å; L58-I355 HydrophobicContact CD1-CD1 4.02Å; L58-I355 HydrophobicContact CD2-CD1 3.94Å; L58-I355 HydrophobicContact CG-CD1 4.44Å; I68-I355 HydrophobicContact CD1-CD1 3.98Å; I68-I355 HydrophobicContact CD1-CG1 4Å; L71-I355 HydrophobicContact CD2-CD1 3.43Å; L71-I355 VanDerWaalsContact CD2-CD1 3.43Å; A351-I355 PolarHBondContact O-N 3.29Å; M352-I355 PolarHBondContact O-N 3.1Å; I355-Q358 PolarHBondContact O-N 3.4Å; I355-R359 HydrophobicContact CG2-CG 4.08Å; I355-R359 WeakPolarHBondContact O-CB 3.36Å; I355-R359 VanDerWaalsContact O-CG 3.29Å; I355-R359 WeakPolarHBondContact O-CG 3.29Å; I355-R359 PolarHBondContact O-N 3.36Å
356	F	94.6	Very high	89.5	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-53.2	-177.6	-175.8	-95.3	0	0	0	112.2	N47 L51 F54 M352 G353 Q358 R359 K360 V477 A494	N47-F356 HydrophobicContact CB-CE2 4.29Å; L51-F356 HydrophobicContact CD2-CB 4.03Å; L51-F356 HydrophobicContact CD2-CD2 3.76Å; L51-F356 HydrophobicContact CD2-CG 4.38Å; L51-F356 HydrophobicContact CG-CD2 4.17Å; F54-F356 HydrophobicContact CE2-CD2 4.47Å; M352-F356 WeakPolarHBondContact O-CB 3.18Å; M352-F356 PolarHBondContact O-N 3.42Å; G353-F356 PolarHBondContact O-N 3Å; F356-Q358 VanDerWaalsContact C-N 3.3Å; F356-Q358 PolarHBondContact O-N 2.89Å; F356-R359 PolarHBondContact O-N 2.94Å; F356-K360 HydrophobicContact CD1-CG 4.35Å; F356-K360 HydrophobicContact CD2-CG 4.11Å; F356-K360 HydrophobicContact CE1-CG 4.07Å; F356-K360 HydrophobicContact CE2-CD 4.5Å; F356-K360 HydrophobicContact CE2-CG 3.82Å; F356-K360 HydrophobicContact CG-CG 4.37Å; F356-K360 HydrophobicContact CZ-CG 3.79Å; F356-K360 VanDerWaalsContact O-CB 3.28Å; F356-K360 WeakPolarHBondContact O-CB 3.48Å; F356-K360 WeakPolarHBondContact O-CG 3.28Å; F356-K360 PolarHBondContact O-N 2.92Å; F356-V477 HydrophobicContact CB-CG1 3.4Å; F356-V477 HydrophobicContact CD1-CG1 4.03Å; F356-V477 HydrophobicContact CD2-CG1 4.07Å; F356-V477 HydrophobicContact CG-CB 4.36Å; F356-V477 HydrophobicContact CG-CG1 3.57Å; F356-A494 HydrophobicContact CD1-CB 4.39Å; F356-A494 HydrophobicContact CE1-CB 4.28Å
357	V	93.4	Very high	90.5	Very high	13 Å²	13	44.8 Å²	44.8	8%	0.079	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-42.2	-180	167.6	0	0	0	0	111.1	G353 N361 F362 Y412 A494	G353-V357 WeakPolarHBondContact O-CB 3.28Å; G353-V357 VanDerWaalsContact O-CG2 3.28Å; G353-V357 WeakPolarHBondContact O-CG2 3.46Å; G353-V357 PolarHBondContact O-N 3.1Å; V357-N361 PolarHBondContact O-N 3.01Å; V357-F362 HydrophobicContact CG1-CB 4.21Å; V357-F362 PolarHBondContact O-N 2.67Å; V357-F362 VanDerWaalsContact O-N 3.11Å; V357-Y412 HydrophobicContact CB-CD1 4.24Å; V357-Y412 HydrophobicContact CB-CE1 4.39Å; V357-Y412 HydrophobicContact CG1-CD1 3.75Å; V357-Y412 HydrophobicContact CG1-CE1 3.42Å; V357-Y412 VanDerWaalsContact CG1-CE1 3.42Å; V357-Y412 HydrophobicContact CG2-CD1 3.47Å; V357-Y412 VanDerWaalsContact CG2-CD1 3.47Å; V357-Y412 HydrophobicContact CG2-CE1 4.07Å; V357-Y412 HydrophobicContact CG2-CG 4Å; V357-A494 HydrophobicContact CG2-CB 4.1Å
358	Q	92.1	Very high	90.9	Very high	130 Å²	130	47.1 Å²	47.1	61%	0.607	22%	0.223	S	C	*	.	H	α-helix	trans	-65.4	-44.5	178	-73.5	178.5	-20.2	0	0	112.5	K354 I355 F356	K354-Q358 WeakPolarHBondContact O-CB 3.35Å; K354-Q358 WeakPolarHBondContact O-CG 3.23Å; K354-Q358 PolarHBondContact O-N 2.9Å; I355-Q358 PolarHBondContact O-N 3.4Å; F356-Q358 VanDerWaalsContact C-N 3.3Å; F356-Q358 PolarHBondContact O-N 2.89Å
359	R	92.7	Very high	90.9	Very high	118 Å²	118	49.6 Å²	49.6	45%	0.445	24%	0.236	S	C	.	.	H	α-helix	trans	-79.7	-34.6	-174.9	-69.6	-72.6	-169.5	129.9	4	113.2	F54 D57 I355 F356 N361	F54-R359 HydrophobicContact CB-CG 4.45Å; F54-R359 HydrophobicContact CD1-CB 3.96Å; F54-R359 HydrophobicContact CD1-CG 3.88Å; F54-R359 HydrophobicContact CD2-CB 3.78Å; F54-R359 HydrophobicContact CD2-CG 3.97Å; F54-R359 HydrophobicContact CE1-CB 3.66Å; F54-R359 HydrophobicContact CE1-CG 4.08Å; F54-R359 HydrophobicContact CE2-CB 3.45Å; F54-R359 VanDerWaalsContact CE2-CB 3.45Å; F54-R359 HydrophobicContact CE2-CG 4.16Å; F54-R359 HydrophobicContact CG-CB 4.04Å; F54-R359 HydrophobicContact CG-CG 3.84Å; F54-R359 HydrophobicContact CZ-CB 3.39Å; F54-R359 HydrophobicContact CZ-CG 4.23Å; D57-R359 IonicContact OD2-CZ 3.53Å; D57-R359 IonicContact OD2-NH1 2.77Å; D57-R359 PolarHBondContact OD2-NH1 3.34Å; D57-R359 IonicContact OD2-NH2 4Å; I355-R359 HydrophobicContact CG2-CG 4.08Å; I355-R359 WeakPolarHBondContact O-CB 3.36Å; I355-R359 VanDerWaalsContact O-CG 3.29Å; I355-R359 WeakPolarHBondContact O-CG 3.29Å; I355-R359 PolarHBondContact O-N 3.36Å; F356-R359 PolarHBondContact O-N 2.94Å; R359-N361 PolarHBondContact O-N 3.19Å
360	K	89.6	Confident	91.1	Very high	72 Å²	72	49.5 Å²	49.5	31%	0.313	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5	174.3	-70.8	-69.1	-167.8	165.9	0	113.3	D50 F54 F356 F362	D50-K360 WeakPolarHBondContact OD2-CE 3.47Å; D50-K360 IonicContact OD2-NZ 3.28Å; D50-K360 PolarHBondContact OD2-NZ 3.21Å; F54-K360 HydrophobicContact CE2-CG 4.46Å; F356-K360 HydrophobicContact CD1-CG 4.35Å; F356-K360 HydrophobicContact CD2-CG 4.11Å; F356-K360 HydrophobicContact CE1-CG 4.07Å; F356-K360 HydrophobicContact CE2-CD 4.5Å; F356-K360 HydrophobicContact CE2-CG 3.82Å; F356-K360 HydrophobicContact CG-CG 4.37Å; F356-K360 HydrophobicContact CZ-CG 3.79Å; F356-K360 VanDerWaalsContact O-CB 3.28Å; F356-K360 WeakPolarHBondContact O-CB 3.48Å; F356-K360 WeakPolarHBondContact O-CG 3.28Å; F356-K360 PolarHBondContact O-N 2.92Å; K360-F362 PolarHBondContact O-N 3.47Å
361	N	83.8	Confident	91.1	Very high	121 Å²	121	50.8 Å²	50.8	65%	0.647	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	44.5	-173.9	-168	48.9	0	0	0	111.2	V357 R359 D363	V357-N361 PolarHBondContact O-N 3.01Å; R359-N361 PolarHBondContact O-N 3.19Å; N361-D363 PolarHBondContact O-N 2.94Å
362	F	87.2	Confident	91.2	Very high	21 Å²	21	56.8 Å²	56.8	9%	0.092	27%	0.27	C	S	.	.			trans	-68.5	91.8	173.7	-173.6	-89.5	0	0	0	107.3	V357 K360 K367 Y412 A494 L497	V357-F362 HydrophobicContact CG1-CB 4.21Å; V357-F362 PolarHBondContact O-N 2.67Å; V357-F362 VanDerWaalsContact O-N 3.11Å; K360-F362 PolarHBondContact O-N 3.47Å; F362-K367 HydrophobicContact CE1-CB 4.19Å; F362-Y412 HydrophobicContact CD1-CD1 4.19Å; F362-Y412 AromaticContact CD1-CE1 3.94Å; F362-Y412 HydrophobicContact CD1-CE1 3.94Å; F362-Y412 HydrophobicContact CE1-CD1 4.48Å; F362-Y412 HydrophobicContact CE1-CE1 4.36Å; F362-A494 HydrophobicContact CD1-CB 4.35Å; F362-A494 HydrophobicContact CD2-CB 4.27Å; F362-A494 HydrophobicContact CE2-CB 4.44Å; F362-A494 HydrophobicContact CG-CB 4.23Å; F362-L497 HydrophobicContact CE2-CB 3.66Å; F362-L497 HydrophobicContact CE2-CD1 4.04Å; F362-L497 HydrophobicContact CZ-CB 4.15Å; F362-L497 HydrophobicContact CZ-CD1 3.62Å
363	D	76.6	Confident	91.3	Very high	39 Å²	39	57.2 Å²	57.2	21%	0.209	27%	0.273	C	S	.	.			trans	-79.7	166.7	-165.5	66.5	31	0	0	0	111.5	N361 E365 S366 K367 K504	N361-D363 PolarHBondContact O-N 2.94Å; D363-E365 PolarHBondContact O-N 3.23Å; D363-E365 WeakPolarHBondContact OD1-CA 3.49Å; D363-E365 VanDerWaalsContact OD1-CB 3.23Å; D363-E365 WeakPolarHBondContact OD1-CB 3.12Å; D363-E365 PolarHBondContact OD1-N 3.21Å; D363-S366 PolarHBondContact O-N 3.31Å; D363-S366 PolarHBondContact OD1-N 2.92Å; D363-S366 PolarHBondContact OD1-OG 3.32Å; D363-K367 PolarHBondContact O-N 2.91Å; D363-K504 IonicContact OD2-NZ 2.89Å; D363-K504 PolarHBondContact OD2-NZ 2.88Å
364	K	84.5	Confident	91.5	Very high	174 Å²	174	57.3 Å²	57.3	76%	0.757	27%	0.273	S	S	*	.	H	α-helix	trans	-63.7	-20.6	176.2	-67.6	-176.3	178	-177.8	0	112.4	S368	K364-S368 WeakPolarHBondContact O-CB 3.17Å; K364-S368 PolarHBondContact O-N 2.97Å
365	E	88.3	Confident	91.7	Very high	120 Å²	120	59.4 Å²	59.4	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-73.7	-46.2	180	-175.9	-177.5	-151.9	0	0	110.5	D363 K367 S368 D369 K504	D363-E365 PolarHBondContact O-N 3.23Å; D363-E365 WeakPolarHBondContact OD1-CA 3.49Å; D363-E365 VanDerWaalsContact OD1-CB 3.23Å; D363-E365 WeakPolarHBondContact OD1-CB 3.12Å; D363-E365 PolarHBondContact OD1-N 3.21Å; E365-K367 VanDerWaalsContact C-N 3.35Å; E365-K367 PolarHBondContact O-N 3.01Å; E365-S368 CarbonylContact O-C 3.58Å; E365-S368 PolarHBondContact O-N 3.37Å; E365-S368 VanDerWaalsContact O-N 3.16Å; E365-D369 WeakPolarHBondContact O-CB 3.32Å; E365-D369 PolarHBondContact O-N 3.23Å; E365-K504 IonicContact OE2-NZ 2.75Å; E365-K504 PolarHBondContact OE2-NZ 3.34Å
366	S	90.3	Very high	91.8	Very high	16 Å²	16	62.1 Å²	62.1	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-43.5	173.4	-69.4	0	0	0	0	111.9	D363 D369 V370	D363-S366 PolarHBondContact O-N 3.31Å; D363-S366 PolarHBondContact OD1-N 2.92Å; D363-S366 PolarHBondContact OD1-OG 3.32Å; S366-D369 PolarHBondContact O-N 3.21Å; S366-V370 WeakPolarHBondContact O-CG2 3.43Å; S366-V370 PolarHBondContact O-N 2.91Å; S366-V370 VanDerWaalsContact O-N 3.07Å
367	K	91.4	Very high	92	Very high	40 Å²	40	62 Å²	62	17%	0.174	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-49.1	173.4	-172.2	172.4	179.1	167	0	111.1	F362 D363 E365 D369 V370 D371 V410 Y412 E414	F362-K367 HydrophobicContact CE1-CB 4.19Å; D363-K367 PolarHBondContact O-N 2.91Å; E365-K367 VanDerWaalsContact C-N 3.35Å; E365-K367 PolarHBondContact O-N 3.01Å; K367-D369 VanDerWaalsContact C-N 3.32Å; K367-D369 PolarHBondContact O-N 3.39Å; K367-V370 PolarHBondContact O-N 2.99Å; K367-D371 PolarHBondContact O-N 2.94Å; K367-V410 WeakPolarHBondContact CE-O 3.21Å; K367-V410 HydrophobicContact CG-CB 4.24Å; K367-V410 HydrophobicContact CG-CG1 4.15Å; K367-Y412 PolarHBondContact NZ-O 2.82Å; K367-E414 IonicContact NZ-OE1 2.86Å
368	S	93.7	Very high	92.2	Very high	53 Å²	53	63.2 Å²	63.2	37%	0.371	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-33.2	179.5	179.9	0	0	0	0	113.5	K364 E365 K372	K364-S368 WeakPolarHBondContact O-CB 3.17Å; K364-S368 PolarHBondContact O-N 2.97Å; E365-S368 CarbonylContact O-C 3.58Å; E365-S368 PolarHBondContact O-N 3.37Å; E365-S368 VanDerWaalsContact O-N 3.16Å; S368-K372 WeakPolarHBondContact O-CG 3.32Å; S368-K372 PolarHBondContact O-N 3.03Å
369	D	93.8	Very high	92.4	Very high	51 Å²	51	61.2 Å²	61.2	27%	0.273	30%	0.298	S	S	.	.	H	α-helix	trans	-71.3	-43.4	178.8	-173.9	51.1	0	0	0	111.4	E365 S366 K367 D371 K372 M373 Y502	E365-D369 WeakPolarHBondContact O-CB 3.32Å; E365-D369 PolarHBondContact O-N 3.23Å; S366-D369 PolarHBondContact O-N 3.21Å; K367-D369 VanDerWaalsContact C-N 3.32Å; K367-D369 PolarHBondContact O-N 3.39Å; D369-D371 PolarHBondContact O-N 3.18Å; D369-K372 WeakPolarHBondContact O-CB 3.31Å; D369-K372 PolarHBondContact O-N 3.04Å; D369-K372 VanDerWaalsContact O-N 3.16Å; D369-M373 PolarHBondContact O-N 3.36Å; D369-Y502 WeakPolarHBondContact CB-OH 3.3Å; D369-Y502 WeakPolarHBondContact OD2-CE2 3.14Å; D369-Y502 PolarHBondContact OD2-OH 2.93Å
370	V	95.7	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-37.4	174.2	176.4	0	0	0	0	111.4	S366 K367 K372 M373 V374 V410 L492 L497 Y502 I519	S366-V370 WeakPolarHBondContact O-CG2 3.43Å; S366-V370 PolarHBondContact O-N 2.91Å; S366-V370 VanDerWaalsContact O-N 3.07Å; K367-V370 PolarHBondContact O-N 2.99Å; V370-K372 VanDerWaalsContact C-N 3.28Å; V370-K372 PolarHBondContact O-N 2.92Å; V370-M373 WeakPolarHBondContact O-CA 3.2Å; V370-M373 WeakPolarHBondContact O-CB 3.49Å; V370-M373 PolarHBondContact O-N 3.4Å; V370-M373 VanDerWaalsContact O-N 3.09Å; V370-V374 WeakPolarHBondContact O-CG2 3.27Å; V370-V374 PolarHBondContact O-N 3.03Å; V370-V410 HydrophobicContact CB-CG1 3.75Å; V370-V410 HydrophobicContact CG1-CG1 3.58Å; V370-V410 HydrophobicContact CG1-CG2 4.24Å; V370-L492 HydrophobicContact CG1-CD1 3.91Å; V370-L497 HydrophobicContact CG1-CD1 4.39Å; V370-L497 HydrophobicContact CG1-CD2 4.17Å; V370-L497 HydrophobicContact CG2-CD1 4.29Å; V370-L497 HydrophobicContact CG2-CD2 4.03Å; V370-Y502 HydrophobicContact CG2-CD1 4.27Å; V370-Y502 HydrophobicContact CG2-CD2 4.23Å; V370-Y502 HydrophobicContact CG2-CE1 3.96Å; V370-Y502 HydrophobicContact CG2-CE2 3.92Å; V370-Y502 HydrophobicContact CG2-CG 4.4Å; V370-I519 HydrophobicContact CG1-CD1 4.18Å
371	D	95.1	Very high	93	Very high	56 Å²	56	52.5 Å²	52.5	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-37	172.2	-78.5	-36	0	0	0	112.5	K367 D369 T375 V410	K367-D371 PolarHBondContact O-N 2.94Å; D369-D371 PolarHBondContact O-N 3.18Å; D371-T375 PolarHBondContact O-N 3.01Å; D371-T375 VanDerWaalsContact O-N 3.11Å; D371-T375 PolarHBondContact O-OG1 3.03Å; D371-V410 WeakPolarHBondContact OD1-CG2 3.45Å
372	K	95.9	Very high	93.6	Very high	126 Å²	126	48.8 Å²	48.8	55%	0.548	25%	0.245	S	C	.	.	H	α-helix	trans	-67	-42.3	172.6	-69.4	166.7	-170.5	166.2	0	110.9	S368 D369 V370 V374 T375 E376	S368-K372 WeakPolarHBondContact O-CG 3.32Å; S368-K372 PolarHBondContact O-N 3.03Å; D369-K372 WeakPolarHBondContact O-CB 3.31Å; D369-K372 PolarHBondContact O-N 3.04Å; D369-K372 VanDerWaalsContact O-N 3.16Å; V370-K372 VanDerWaalsContact C-N 3.28Å; V370-K372 PolarHBondContact O-N 2.92Å; K372-V374 VanDerWaalsContact C-N 3.33Å; K372-V374 PolarHBondContact O-N 2.82Å; K372-T375 WeakPolarHBondContact O-CA 3.49Å; K372-T375 WeakPolarHBondContact O-CB 3.45Å; K372-T375 PolarHBondContact O-N 3.32Å; K372-E376 PolarHBondContact O-N 3.3Å
373	M	97.2	Very high	93.9	Very high	11 Å²	11	51.7 Å²	51.7	5%	0.054	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-42.9	176.1	-166.7	-177.8	-54.5	0	0	112	D369 V370 T375 E376 L377 Y502 N511 F512 I515 I519	D369-M373 PolarHBondContact O-N 3.36Å; V370-M373 WeakPolarHBondContact O-CA 3.2Å; V370-M373 WeakPolarHBondContact O-CB 3.49Å; V370-M373 PolarHBondContact O-N 3.4Å; V370-M373 VanDerWaalsContact O-N 3.09Å; M373-T375 VanDerWaalsContact C-N 3.29Å; M373-T375 PolarHBondContact O-N 2.82Å; M373-E376 PolarHBondContact O-N 3.45Å; M373-L377 HydrophobicContact CG-CD1 4.19Å; M373-L377 WeakPolarHBondContact O-CG 3.36Å; M373-L377 PolarHBondContact O-N 2.83Å; M373-Y502 HydrophobicContact CE-CD2 4.08Å; M373-Y502 HydrophobicContact CE-CE2 4.06Å; M373-N511 HydrophobicContact CE-CB 4.12Å; M373-F512 HydrophobicContact CG-CD1 4.43Å; M373-F512 HydrophobicContact CG-CE1 3.78Å; M373-F512 HydrophobicContact CG-CE2 4.35Å; M373-F512 HydrophobicContact CG-CZ 3.75Å; M373-I515 HydrophobicContact CE-CG2 3.9Å; M373-I515 HydrophobicContact SD-CG2 3.68Å; M373-I519 HydrophobicContact CG-CD1 4.34Å; M373-I519 HydrophobicContact SD-CD1 3.92Å
374	V	97.4	Very high	94.8	Very high	2 Å²	2	51 Å²	51	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-56.3	-44.5	171.7	169.2	0	0	0	0	110.6	V370 K372 L377 K378 I490 L492 I519 M523	V370-V374 WeakPolarHBondContact O-CG2 3.27Å; V370-V374 PolarHBondContact O-N 3.03Å; K372-V374 VanDerWaalsContact C-N 3.33Å; K372-V374 PolarHBondContact O-N 2.82Å; V374-L377 PolarHBondContact O-N 3.18Å; V374-K378 WeakPolarHBondContact O-CG 3.35Å; V374-K378 PolarHBondContact O-N 3.42Å; V374-I490 HydrophobicContact CG1-CD1 4.43Å; V374-L492 HydrophobicContact CG2-CD1 4.01Å; V374-I519 HydrophobicContact CG2-CD1 4.32Å; V374-I519 HydrophobicContact CG2-CG2 4Å; V374-M523 HydrophobicContact CB-CE 4.23Å; V374-M523 HydrophobicContact CG1-CE 3.6Å; V374-M523 WeakPolarHBondContact O-CE 3.39Å
375	T	97.3	Very high	95.3	Very high	74 Å²	74	42.9 Å²	42.9	45%	0.454	22%	0.221	S	C	.	.	H	α-helix	trans	-62.7	-44.1	178.2	-57.7	0	0	0	0	111.9	D371 K372 M373 L377 K378 N379	D371-T375 PolarHBondContact O-N 3.01Å; D371-T375 VanDerWaalsContact O-N 3.11Å; D371-T375 PolarHBondContact O-OG1 3.03Å; K372-T375 WeakPolarHBondContact O-CA 3.49Å; K372-T375 WeakPolarHBondContact O-CB 3.45Å; K372-T375 PolarHBondContact O-N 3.32Å; M373-T375 VanDerWaalsContact C-N 3.29Å; M373-T375 PolarHBondContact O-N 2.82Å; T375-L377 VanDerWaalsContact C-N 3.35Å; T375-L377 PolarHBondContact O-N 2.84Å; T375-K378 PolarHBondContact O-N 3.13Å; T375-N379 VanDerWaalsContact O-CG 3.3Å; T375-N379 PolarHBondContact O-N 3.2Å; T375-N379 PolarHBondContact O-ND2 3.32Å
376	E	97.5	Very high	95.6	Very high	66 Å²	66	41.1 Å²	41.1	31%	0.308	22%	0.216	S	C	.	.	H	α-helix	trans	-64.3	-38.1	176.8	-65.7	-55.7	155.3	0	0	112.5	K372 M373 N379 A380 F512 A618	K372-E376 PolarHBondContact O-N 3.3Å; M373-E376 PolarHBondContact O-N 3.45Å; E376-N379 WeakPolarHBondContact O-CB 3.47Å; E376-N379 PolarHBondContact O-N 3.21Å; E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3Å; E376-F512 HydrophobicContact CB-CZ 4.46Å; E376-A618 HydrophobicContact CB-CB 4.33Å
377	L	98.2	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-38.7	176.1	-72	165.1	0	0	0	112.3	M373 V374 T375 N379 A380 F381 F512 I519 M523 Q614 S615 A618	M373-L377 HydrophobicContact CG-CD1 4.19Å; M373-L377 WeakPolarHBondContact O-CG 3.36Å; M373-L377 PolarHBondContact O-N 2.83Å; V374-L377 PolarHBondContact O-N 3.18Å; T375-L377 VanDerWaalsContact C-N 3.35Å; T375-L377 PolarHBondContact O-N 2.84Å; L377-N379 VanDerWaalsContact C-N 3.31Å; L377-N379 PolarHBondContact O-N 3.49Å; L377-A380 PolarHBondContact O-N 3.37Å; L377-F381 WeakPolarHBondContact O-CB 3.13Å; L377-F381 PolarHBondContact O-N 3.05Å; L377-F512 HydrophobicContact CD2-CD1 4.46Å; L377-F512 HydrophobicContact CD2-CE1 4.44Å; L377-F512 HydrophobicContact CG-CE1 4.41Å; L377-I519 HydrophobicContact CD1-CB 3.43Å; L377-I519 VanDerWaalsContact CD1-CB 3.43Å; L377-I519 HydrophobicContact CD1-CD1 4.17Å; L377-I519 HydrophobicContact CD1-CG1 4.39Å; L377-I519 HydrophobicContact CD1-CG2 3.3Å; L377-M523 HydrophobicContact CB-CE 3.94Å; L377-M523 HydrophobicContact CB-SD 3.72Å; L377-Q614 HydrophobicContact CD2-CB 4.48Å; L377-S615 VanDerWaalsContact CD2-CA 3.49Å; L377-A618 HydrophobicContact CD2-CB 3.95Å; L377-A618 HydrophobicContact CG-CB 4.39Å
378	K	97.4	Very high	95.7	Very high	38 Å²	38	45.3 Å²	45.3	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-40.5	170.7	-71.4	-176.3	173.8	-176	0	111.8	V374 T375 F381 N382 I403 M406 M523	V374-K378 WeakPolarHBondContact O-CG 3.35Å; V374-K378 PolarHBondContact O-N 3.42Å; T375-K378 PolarHBondContact O-N 3.13Å; K378-F381 PolarHBondContact O-N 3.02Å; K378-N382 PolarHBondContact O-N 3.44Å; K378-N382 VanDerWaalsContact O-N 3.09Å; K378-N382 PolarHBondContact O-ND2 3.19Å; K378-I403 HydrophobicContact CB-CG1 4.23Å; K378-I403 HydrophobicContact CG-CD1 4.17Å; K378-I403 HydrophobicContact CG-CG1 3.98Å; K378-M406 PolarHBondContact NZ-O 3.07Å; K378-M523 HydrophobicContact CG-CE 3.79Å; K378-M523 HydrophobicContact CG-SD 4.18Å
379	N	97.3	Very high	95.6	Very high	87 Å²	87	49.7 Å²	49.7	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-42.5	175.7	-67.8	-25.8	0	0	0	111.5	T375 E376 L377 N382 L383	T375-N379 VanDerWaalsContact O-CG 3.3Å; T375-N379 PolarHBondContact O-N 3.2Å; T375-N379 PolarHBondContact O-ND2 3.32Å; E376-N379 WeakPolarHBondContact O-CB 3.47Å; E376-N379 PolarHBondContact O-N 3.21Å; L377-N379 VanDerWaalsContact C-N 3.31Å; L377-N379 PolarHBondContact O-N 3.49Å; N379-N382 WeakPolarHBondContact O-CB 3.41Å; N379-N382 PolarHBondContact O-N 3.38Å; N379-L383 PolarHBondContact O-N 2.86Å
380	A	97.7	Very high	95.7	Very high	5 Å²	5	47.9 Å²	47.9	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-64.2	-41	175.8	0	0	0	0	0	112.4	E376 L377 N382 L383 L384 Q614 A617 A618	E376-A380 WeakPolarHBondContact O-CB 3.39Å; E376-A380 PolarHBondContact O-N 3Å; L377-A380 PolarHBondContact O-N 3.37Å; A380-N382 VanDerWaalsContact C-N 3.33Å; A380-N382 PolarHBondContact O-N 3.47Å; A380-L383 WeakPolarHBondContact O-CB 3.48Å; A380-L383 PolarHBondContact O-N 2.89Å; A380-L383 VanDerWaalsContact O-N 3.17Å; A380-L384 WeakPolarHBondContact O-CG 3.2Å; A380-L384 PolarHBondContact O-N 3.45Å; A380-Q614 WeakPolarHBondContact CB-O 3.09Å; A380-A617 HydrophobicContact CB-CB 4.02Å; A380-A618 HydrophobicContact CB-CB 3.77Å
381	F	96.7	Very high	95.6	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-48	172.2	-172.5	-84.4	0	0	0	111.3	L377 K378 L383 L384 L385 I403 F527 Q614 W707	L377-F381 WeakPolarHBondContact O-CB 3.13Å; L377-F381 PolarHBondContact O-N 3.05Å; K378-F381 PolarHBondContact O-N 3.02Å; F381-L383 VanDerWaalsContact C-N 3.29Å; F381-L383 PolarHBondContact O-N 2.94Å; F381-L384 PolarHBondContact O-N 3.28Å; F381-L385 HydrophobicContact CE1-CB 4.5Å; F381-L385 HydrophobicContact CE1-CD2 4.11Å; F381-L385 VanDerWaalsContact O-CB 3.29Å; F381-L385 WeakPolarHBondContact O-CB 3.38Å; F381-L385 PolarHBondContact O-N 3.42Å; F381-I403 HydrophobicContact CB-CG1 4.28Å; F381-I403 HydrophobicContact CD1-CB 4.01Å; F381-I403 HydrophobicContact CD1-CD1 4.42Å; F381-I403 HydrophobicContact CD1-CG1 3.97Å; F381-I403 HydrophobicContact CD1-CG2 4.01Å; F381-I403 HydrophobicContact CE1-CB 4.32Å; F381-I403 HydrophobicContact CE1-CG2 4.46Å; F381-I403 HydrophobicContact CG-CD1 4.27Å; F381-I403 HydrophobicContact CG-CG1 4.15Å; F381-F527 HydrophobicContact CE1-CD1 4.34Å; F381-F527 HydrophobicContact CE1-CD2 4.18Å; F381-F527 HydrophobicContact CE1-CE1 4.03Å; F381-F527 AromaticContact CE1-CE2 3.87Å; F381-F527 HydrophobicContact CE1-CE2 3.87Å; F381-F527 HydrophobicContact CE1-CG 4.43Å; F381-F527 AromaticContact CE1-CZ 3.8Å; F381-F527 HydrophobicContact CE1-CZ 3.8Å; F381-F527 AromaticContact CE2-CD2 3.58Å; F381-F527 HydrophobicContact CE2-CD2 3.58Å; F381-F527 AromaticContact CE2-CE2 3.88Å; F381-F527 HydrophobicContact CE2-CE2 3.88Å; F381-F527 HydrophobicContact CE2-CG 4.1Å; F381-F527 HydrophobicContact CZ-CB 4.31Å; F381-F527 AromaticContact CZ-CD1 3.82Å; F381-F527 HydrophobicContact CZ-CD1 3.82Å; F381-F527 AromaticContact CZ-CD2 3.34Å; F381-F527 HydrophobicContact CZ-CD2 3.34Å; F381-F527 AromaticContact CZ-CE1 3.93Å; F381-F527 HydrophobicContact CZ-CE1 3.93Å; F381-F527 AromaticContact CZ-CE2 3.49Å; F381-F527 HydrophobicContact CZ-CE2 3.49Å; F381-F527 VanDerWaalsContact CZ-CE2 3.49Å; F381-F527 AromaticContact CZ-CG 3.54Å; F381-F527 HydrophobicContact CZ-CG 3.54Å; F381-F527 AromaticContact CZ-CZ 3.8Å; F381-F527 HydrophobicContact CZ-CZ 3.8Å; F381-Q614 HydrophobicContact CD2-CG 4.16Å; F381-Q614 VanDerWaalsContact CD2-NE2 3.26Å; F381-W707 HydrophobicContact CE2-CE3 4.43Å; F381-W707 HydrophobicContact CZ-CE3 4.04Å; F381-W707 HydrophobicContact CZ-CZ3 4.35Å
382	N	95.7	Very high	95.5	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-37.3	177.4	-77.3	-40.1	0	0	0	112.7	K378 N379 A380 N386 I403	K378-N382 PolarHBondContact O-N 3.44Å; K378-N382 VanDerWaalsContact O-N 3.09Å; K378-N382 PolarHBondContact O-ND2 3.19Å; N379-N382 WeakPolarHBondContact O-CB 3.41Å; N379-N382 PolarHBondContact O-N 3.38Å; A380-N382 VanDerWaalsContact C-N 3.33Å; A380-N382 PolarHBondContact O-N 3.47Å; N382-N386 VanDerWaalsContact O-CG 3.31Å; N382-N386 PolarHBondContact O-N 3.07Å; N382-N386 VanDerWaalsContact O-N 3.16Å; N382-N386 PolarHBondContact O-ND2 3.3Å; N382-N386 VanDerWaalsContact O-ND2 3.13Å; N382-I403 WeakPolarHBondContact OD1-CG2 2.96Å
383	L	94.7	Very high	95.5	Very high	81 Å²	81	46.5 Å²	46.5	42%	0.424	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-49.5	175	179.5	67	0	0	0	111.5	N379 A380 F381 L385 N386 Q387	N379-L383 PolarHBondContact O-N 2.86Å; A380-L383 WeakPolarHBondContact O-CB 3.48Å; A380-L383 PolarHBondContact O-N 2.89Å; A380-L383 VanDerWaalsContact O-N 3.17Å; F381-L383 VanDerWaalsContact C-N 3.29Å; F381-L383 PolarHBondContact O-N 2.94Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 3.06Å; L383-N386 WeakPolarHBondContact O-CB 3.36Å; L383-N386 PolarHBondContact O-N 3.23Å; L383-Q387 WeakPolarHBondContact O-CG 3.41Å; L383-Q387 PolarHBondContact O-N 2.87Å
384	L	95.2	Very high	95.3	Very high	26 Å²	26	50 Å²	50	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-41	179.2	-68.1	173.2	0	0	0	111.5	A380 F381 N386 Q387 N388 K613 Q614 A617	A380-L384 WeakPolarHBondContact O-CG 3.2Å; A380-L384 PolarHBondContact O-N 3.45Å; F381-L384 PolarHBondContact O-N 3.28Å; L384-N386 VanDerWaalsContact C-N 3.28Å; L384-N386 PolarHBondContact O-N 3.23Å; L384-Q387 PolarHBondContact O-N 3.26Å; L384-Q387 VanDerWaalsContact O-N 3.1Å; L384-N388 PolarHBondContact O-N 3.16Å; L384-K613 HydrophobicContact CD1-CB 4.25Å; L384-Q614 HydrophobicContact CD1-CB 4.25Å; L384-Q614 HydrophobicContact CD1-CG 3.62Å; L384-A617 HydrophobicContact CD1-CB 4.49Å; L384-A617 HydrophobicContact CD2-CB 4.47Å; L384-A617 HydrophobicContact CG-CB 4.48Å
385	L	94.5	Very high	95	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-61.7	-34.4	176.1	-174.7	63.4	0	0	0	112.9	F381 L383 M391 K396 A399 K400 W707	F381-L385 HydrophobicContact CE1-CB 4.5Å; F381-L385 HydrophobicContact CE1-CD2 4.11Å; F381-L385 VanDerWaalsContact O-CB 3.29Å; F381-L385 WeakPolarHBondContact O-CB 3.38Å; F381-L385 PolarHBondContact O-N 3.42Å; L383-L385 VanDerWaalsContact C-N 3.33Å; L383-L385 PolarHBondContact O-N 3.06Å; L385-M391 HydrophobicContact CD1-CE 4.31Å; L385-M391 HydrophobicContact CD1-SD 3.83Å; L385-K396 HydrophobicContact CD1-CG 4.09Å; L385-K396 WeakPolarHBondContact CD2-O 3.03Å; L385-K396 HydrophobicContact CG-CB 4.38Å; L385-K396 HydrophobicContact CG-CG 4.26Å; L385-K396 WeakPolarHBondContact O-CD 3.45Å; L385-K396 VanDerWaalsContact O-CE 3.22Å; L385-K396 WeakPolarHBondContact O-CE 3.49Å; L385-A399 HydrophobicContact CD1-CB 3.97Å; L385-A399 HydrophobicContact CD2-CB 3.58Å; L385-A399 HydrophobicContact CG-CB 4.43Å; L385-K400 HydrophobicContact CD2-CB 4.49Å; L385-K400 HydrophobicContact CD2-CG 3.57Å; L385-W707 HydrophobicContact CD1-CZ3 4.2Å
386	N	94	Very high	94.9	Very high	84 Å²	84	47.2 Å²	47.2	45%	0.449	24%	0.244	S	C	.	.	H	α-helix	trans	-68.9	-39.6	173.9	-72.7	-34.6	0	0	0	112	N382 L383 L384 K396 K400	N382-N386 VanDerWaalsContact O-CG 3.31Å; N382-N386 PolarHBondContact O-N 3.07Å; N382-N386 VanDerWaalsContact O-N 3.16Å; N382-N386 PolarHBondContact O-ND2 3.3Å; N382-N386 VanDerWaalsContact O-ND2 3.13Å; L383-N386 WeakPolarHBondContact O-CB 3.36Å; L383-N386 PolarHBondContact O-N 3.23Å; L384-N386 VanDerWaalsContact C-N 3.28Å; L384-N386 PolarHBondContact O-N 3.23Å; N386-K396 PolarHBondContact O-NZ 3.2Å; N386-K400 WeakPolarHBondContact OD1-CE 2.99Å; N386-K400 PolarHBondContact OD1-NZ 3.18Å
387	Q	92.6	Very high	94.7	Very high	130 Å²	130	48.6 Å²	48.6	61%	0.607	25%	0.25	S	S	*	.	H	α-helix	trans	-75.1	-23.9	-178.7	-67.4	173.9	-2.9	0	0	113.3	L383 L384 N389	L383-Q387 WeakPolarHBondContact O-CG 3.41Å; L383-Q387 PolarHBondContact O-N 2.87Å; L384-Q387 PolarHBondContact O-N 3.26Å; L384-Q387 VanDerWaalsContact O-N 3.1Å; Q387-N389 PolarHBondContact O-N 3.43Å
388	N	91.4	Very high	94.5	Very high	14 Å²	14	52.8 Å²	52.8	8%	0.075	27%	0.269	C	S	.	.			trans	-55	129.3	174.6	173.4	-8	0	0	0	111.1	L384 W390 M391 K396	L384-N388 PolarHBondContact O-N 3.16Å; N388-W390 VanDerWaalsContact CG-CD1 3.41Å; N388-W390 VanDerWaalsContact CG-NE1 3.32Å; N388-W390 PolarHBondContact ND2-NE1 2.93Å; N388-W390 PolarHBondContact OD1-N 2.93Å; N388-W390 PolarHBondContact OD1-NE1 3.18Å; N388-W390 VanDerWaalsContact OD1-NE1 3.13Å; N388-M391 PolarHBondContact OD1-N 3.02Å; N388-K396 WeakPolarHBondContact O-CE 3.34Å; N388-K396 PolarHBondContact O-NZ 3.25Å
389	N	93.2	Very high	94.3	Very high	145 Å²	145	51 Å²	51	78%	0.775	26%	0.261	S	S	*	.	S	Bend	trans	-105.8	-6.4	-179.4	63.2	-2.3	0	0	0	114.7	Q387	Q387-N389 PolarHBondContact O-N 3.43Å
390	W	94.6	Very high	94.2	Very high	13 Å²	13	48.9 Å²	48.9	5%	0.049	25%	0.247	C	C	.	.	S	Bend	trans	-89.5	-29.3	-176.8	67.1	-100.8	0	0	0	112.2	N388 W563 S567 K570 F571 K574 V706 W707	N388-W390 VanDerWaalsContact CG-CD1 3.41Å; N388-W390 VanDerWaalsContact CG-NE1 3.32Å; N388-W390 PolarHBondContact ND2-NE1 2.93Å; N388-W390 PolarHBondContact OD1-N 2.93Å; N388-W390 PolarHBondContact OD1-NE1 3.18Å; N388-W390 VanDerWaalsContact OD1-NE1 3.13Å; W390-W563 AromaticContact CH2-CH2 3.71Å; W390-W563 HydrophobicContact CH2-CH2 3.71Å; W390-W563 AromaticContact CH2-CZ3 3.52Å; W390-W563 HydrophobicContact CH2-CZ3 3.52Å; W390-W563 HydrophobicContact CZ3-CH2 4.32Å; W390-W563 AromaticContact CZ3-CZ3 3.65Å; W390-W563 HydrophobicContact CZ3-CZ3 3.65Å; W390-S567 WeakPolarHBondContact CZ3-O 3.46Å; W390-K570 HydrophobicContact CB-CD 4.28Å; W390-K570 HydrophobicContact CE3-CB 3.94Å; W390-K570 WeakPolarHBondContact O-CD 3.32Å; W390-K570 PolarHBondContact O-NZ 2.93Å; W390-K570 VanDerWaalsContact O-NZ 3.16Å; W390-F571 HydrophobicContact CH2-CB 3.97Å; W390-F571 AromaticContact CH2-CD2 3.91Å; W390-F571 HydrophobicContact CH2-CD2 3.91Å; W390-F571 HydrophobicContact CH2-CG 4.42Å; W390-F571 HydrophobicContact CZ2-CD2 4.41Å; W390-F571 HydrophobicContact CZ3-CB 3.87Å; W390-K574 HydrophobicContact CB-CD 4.34Å; W390-K574 VanDerWaalsContact CB-CE 3.49Å; W390-K574 HydrophobicContact CD2-CD 3.86Å; W390-K574 HydrophobicContact CG-CD 3.73Å; W390-V706 HydrophobicContact CZ2-CG1 4.06Å; W390-V706 PolarHBondContact NE1-O 3.3Å; W390-W707 HydrophobicContact CH2-CH2 4.19Å; W390-W707 HydrophobicContact CZ2-CH2 4.21Å; W390-W707 HydrophobicContact CZ2-CZ3 4.28Å
391	M	93.7	Very high	94.1	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.039	26%	0.26	C	S	.	.	S	Bend	trans	-89.6	139.7	179.5	-171.4	-176.5	-71.1	0	0	112	L385 N388 T395 K396 W563 W707	L385-M391 HydrophobicContact CD1-CE 4.31Å; L385-M391 HydrophobicContact CD1-SD 3.83Å; N388-M391 PolarHBondContact OD1-N 3.02Å; M391-T395 HydrophobicContact CE-CG2 4.05Å; M391-T395 HydrophobicContact CG-CG2 3.71Å; M391-T395 VanDerWaalsContact SD-C 3.6Å; M391-T395 HydrophobicContact SD-CG2 3.61Å; M391-K396 HydrophobicContact CB-CG 4.13Å; M391-K396 HydrophobicContact CG-CG 3.89Å; M391-K396 VanDerWaalsContact O-CE 3.31Å; M391-K396 WeakPolarHBondContact O-CE 3.43Å; M391-K396 HydrophobicContact SD-CB 4.26Å; M391-K396 HydrophobicContact SD-CG 3.67Å; M391-K396 PolarHBondContact SD-N 2.05Å; M391-K396 VanDerWaalsContact SD-N 3.44Å; M391-W563 HydrophobicContact CE-CH2 3.97Å; M391-W563 HydrophobicContact CE-CZ3 4.07Å; M391-W707 HydrophobicContact CE-CH2 3.47Å; M391-W707 VanDerWaalsContact CE-CH2 3.47Å; M391-W707 HydrophobicContact CE-CZ3 3.52Å
392	D	94.3	Very high	94	Very high	47 Å²	47	51.7 Å²	51.7	25%	0.251	26%	0.26	S	S	.	.			trans	-76.5	162.7	174	62.9	31.7	0	0	0	113.6	P394 T395 K396 T564 S567	D392-P394 WeakPolarHBondContact OD1-CD 3.47Å; D392-T395 PolarHBondContact O-N 3.45Å; D392-T395 WeakPolarHBondContact OD1-CB 3.3Å; D392-T395 PolarHBondContact OD1-N 3.34Å; D392-T395 PolarHBondContact OD1-OG1 3Å; D392-K396 WeakPolarHBondContact O-CG 3.48Å; D392-K396 PolarHBondContact O-N 2.89Å; D392-T564 WeakPolarHBondContact OD2-CB 3.48Å; D392-T564 WeakPolarHBondContact OD2-CG2 3.39Å; D392-T564 PolarHBondContact OD2-OG1 3.05Å; D392-S567 VanDerWaalsContact CG-OG 3.24Å; D392-S567 PolarHBondContact N-OG 2.88Å; D392-S567 VanDerWaalsContact N-OG 3.14Å; D392-S567 PolarHBondContact OD1-OG 3.08Å; D392-S567 PolarHBondContact OD2-OG 3.49Å
393	E	94.3	Very high	94	Very high	97 Å²	97	49.7 Å²	49.7	45%	0.453	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-42.2	-175.6	-166.2	58.8	-151	0	0	113.6	T395 K396 Q397	E393-T395 PolarHBondContact O-N 3.48Å; E393-K396 PolarHBondContact O-N 3.45Å; E393-Q397 WeakPolarHBondContact O-CG 3.35Å; E393-Q397 PolarHBondContact O-N 2.87Å; E393-Q397 PolarHBondContact OE1-NE2 2.96Å
394	P	92.8	Very high	94.1	Very high	84 Å²	84	52.4 Å²	52.4	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-57.2	-45.6	174.7	-26.3	35.9	0	0	0	113.4	D392 Q397 K398	D392-P394 WeakPolarHBondContact OD1-CD 3.47Å; P394-Q397 PolarHBondContact O-N 3.31Å; P394-K398 PolarHBondContact O-N 3.15Å
395	T	92.3	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-38.5	179.2	-50.1	0	0	0	0	110.8	M391 D392 E393 Q397 K398 A399 W562 W563 T564 S567	M391-T395 HydrophobicContact CE-CG2 4.05Å; M391-T395 HydrophobicContact CG-CG2 3.71Å; M391-T395 VanDerWaalsContact SD-C 3.6Å; M391-T395 HydrophobicContact SD-CG2 3.61Å; D392-T395 PolarHBondContact O-N 3.45Å; D392-T395 WeakPolarHBondContact OD1-CB 3.3Å; D392-T395 PolarHBondContact OD1-N 3.34Å; D392-T395 PolarHBondContact OD1-OG1 3Å; E393-T395 PolarHBondContact O-N 3.48Å; T395-Q397 PolarHBondContact O-N 2.93Å; T395-K398 PolarHBondContact O-N 3.36Å; T395-A399 PolarHBondContact O-N 3.2Å; T395-W562 HydrophobicContact CG2-CE3 4.43Å; T395-W562 HydrophobicContact CG2-CZ3 4.42Å; T395-W563 HydrophobicContact CG2-CB 4.22Å; T395-W563 HydrophobicContact CG2-CD2 3.82Å; T395-W563 HydrophobicContact CG2-CE3 3.93Å; T395-W563 HydrophobicContact CG2-CG 3.98Å; T395-T564 PolarHBondContact OG1-N 3.16Å; T395-S567 PolarHBondContact OG1-OG 3.27Å
396	K	94.4	Very high	94.2	Very high	19 Å²	19	53.9 Å²	53.9	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-44	173.4	-74.9	179.2	179.2	-177.4	0	112.1	L385 N386 N388 M391 D392 E393 K398 A399 K400	L385-K396 HydrophobicContact CD1-CG 4.09Å; L385-K396 WeakPolarHBondContact CD2-O 3.03Å; L385-K396 HydrophobicContact CG-CB 4.38Å; L385-K396 HydrophobicContact CG-CG 4.26Å; L385-K396 WeakPolarHBondContact O-CD 3.45Å; L385-K396 VanDerWaalsContact O-CE 3.22Å; L385-K396 WeakPolarHBondContact O-CE 3.49Å; N386-K396 PolarHBondContact O-NZ 3.2Å; N388-K396 WeakPolarHBondContact O-CE 3.34Å; N388-K396 PolarHBondContact O-NZ 3.25Å; M391-K396 HydrophobicContact CB-CG 4.13Å; M391-K396 HydrophobicContact CG-CG 3.89Å; M391-K396 VanDerWaalsContact O-CE 3.31Å; M391-K396 WeakPolarHBondContact O-CE 3.43Å; M391-K396 HydrophobicContact SD-CB 4.26Å; M391-K396 HydrophobicContact SD-CG 3.67Å; M391-K396 PolarHBondContact SD-N 2.05Å; M391-K396 VanDerWaalsContact SD-N 3.44Å; D392-K396 WeakPolarHBondContact O-CG 3.48Å; D392-K396 PolarHBondContact O-N 2.89Å; E393-K396 PolarHBondContact O-N 3.45Å; K396-K398 VanDerWaalsContact C-N 3.29Å; K396-K398 PolarHBondContact O-N 2.91Å; K396-A399 PolarHBondContact O-N 3.3Å; K396-K400 WeakPolarHBondContact O-CG 3Å; K396-K400 PolarHBondContact O-N 2.95Å
397	Q	94	Very high	94.3	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-37.6	178.8	-67.3	-60.7	-32.1	0	0	111.8	E393 P394 T395 K400 E401	E393-Q397 WeakPolarHBondContact O-CG 3.35Å; E393-Q397 PolarHBondContact O-N 2.87Å; E393-Q397 PolarHBondContact OE1-NE2 2.96Å; P394-Q397 PolarHBondContact O-N 3.31Å; T395-Q397 PolarHBondContact O-N 2.93Å; Q397-K400 WeakPolarHBondContact O-CB 3.39Å; Q397-K400 PolarHBondContact O-N 3.21Å; Q397-E401 PolarHBondContact O-N 3.3Å
398	K	93	Very high	94.4	Very high	89 Å²	89	46.3 Å²	46.3	39%	0.387	23%	0.232	S	C	.	.	H	α-helix	trans	-68	-38.5	173.6	-71.3	-68.1	173.7	-167.5	0	113.4	P394 T395 K396 K400 E401 K402 W562	P394-K398 PolarHBondContact O-N 3.15Å; T395-K398 PolarHBondContact O-N 3.36Å; K396-K398 VanDerWaalsContact C-N 3.29Å; K396-K398 PolarHBondContact O-N 2.91Å; K398-K400 VanDerWaalsContact C-N 3.35Å; K398-K400 PolarHBondContact O-N 3.06Å; K398-E401 WeakPolarHBondContact CD-OE2 3.44Å; K398-E401 IonicContact NZ-OE2 2.64Å; K398-E401 PolarHBondContact NZ-OE2 2.8Å; K398-E401 WeakPolarHBondContact O-CB 3.34Å; K398-E401 PolarHBondContact O-N 3.4Å; K398-K402 PolarHBondContact O-N 2.86Å; K398-W562 HydrophobicContact CB-CB 4.08Å; K398-W562 HydrophobicContact CB-CD2 4.4Å; K398-W562 HydrophobicContact CB-CE3 3.72Å; K398-W562 HydrophobicContact CD-CB 4.25Å; K398-W562 HydrophobicContact CG-CB 4.05Å
399	A	94.2	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-39.7	173.2	0	0	0	0	0	112.2	L385 T395 K396 K402 I403 F527 W562	L385-A399 HydrophobicContact CD1-CB 3.97Å; L385-A399 HydrophobicContact CD2-CB 3.58Å; L385-A399 HydrophobicContact CG-CB 4.43Å; T395-A399 PolarHBondContact O-N 3.2Å; K396-A399 PolarHBondContact O-N 3.3Å; A399-K402 PolarHBondContact O-N 3.18Å; A399-I403 PolarHBondContact O-N 2.95Å; A399-F527 HydrophobicContact CB-CD1 4.24Å; A399-F527 HydrophobicContact CB-CE1 3.9Å; A399-F527 WeakPolarHBondContact O-CE1 3.42Å; A399-W562 HydrophobicContact CB-CZ3 4.17Å
400	K	95.1	Very high	94.6	Very high	42 Å²	42	39.7 Å²	39.7	18%	0.183	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-44.3	172.1	-68.9	173.5	-174.2	169.1	0	112.1	L385 N386 K396 Q397 K398 K402 I403 H404	L385-K400 HydrophobicContact CD2-CB 4.49Å; L385-K400 HydrophobicContact CD2-CG 3.57Å; N386-K400 WeakPolarHBondContact OD1-CE 2.99Å; N386-K400 PolarHBondContact OD1-NZ 3.18Å; K396-K400 WeakPolarHBondContact O-CG 3Å; K396-K400 PolarHBondContact O-N 2.95Å; Q397-K400 WeakPolarHBondContact O-CB 3.39Å; Q397-K400 PolarHBondContact O-N 3.21Å; K398-K400 VanDerWaalsContact C-N 3.35Å; K398-K400 PolarHBondContact O-N 3.06Å; K400-K402 VanDerWaalsContact C-N 3.32Å; K400-K402 PolarHBondContact O-N 3.12Å; K400-I403 VanDerWaalsContact O-CG2 3.26Å; K400-I403 WeakPolarHBondContact O-CG2 3.47Å; K400-H404 VanDerWaalsContact O-CB 3.31Å; K400-H404 WeakPolarHBondContact O-CB 3.41Å; K400-H404 PolarHBondContact O-N 3.08Å; K400-H404 VanDerWaalsContact O-N 3.08Å
401	E	95	Very high	94.6	Very high	66 Å²	66	39 Å²	39	31%	0.308	20%	0.195	S	C	.	.	H	α-helix	trans	-60.3	-43.3	176.4	-171.4	-177.6	174.8	0	0	110.9	Q397 K398 H404 H405	Q397-E401 PolarHBondContact O-N 3.3Å; K398-E401 WeakPolarHBondContact CD-OE2 3.44Å; K398-E401 IonicContact NZ-OE2 2.64Å; K398-E401 PolarHBondContact NZ-OE2 2.8Å; K398-E401 WeakPolarHBondContact O-CB 3.34Å; K398-E401 PolarHBondContact O-N 3.4Å; E401-H404 PolarHBondContact O-N 3.4Å; E401-H405 PolarHBondContact O-N 3.45Å; E401-H405 VanDerWaalsContact O-N 3.13Å; E401-H405 PolarHBondContact O-ND1 3.07Å
402	K	95.2	Very high	94.5	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-47.7	179.3	-178.4	169.8	-169.1	175.5	0	113.8	K398 A399 K400 H404 H405 M406 N488 G526 F527 G531 Y534 D535 S536 W562	K398-K402 PolarHBondContact O-N 2.86Å; A399-K402 PolarHBondContact O-N 3.18Å; K400-K402 VanDerWaalsContact C-N 3.32Å; K400-K402 PolarHBondContact O-N 3.12Å; K402-H404 VanDerWaalsContact C-N 3.26Å; K402-H404 PolarHBondContact O-N 3.19Å; K402-H405 PolarHBondContact O-N 3.13Å; K402-M406 PolarHBondContact O-N 2.87Å; K402-M406 VanDerWaalsContact O-N 3.09Å; K402-N488 PolarHBondContact O-ND2 2.88Å; K402-N488 VanDerWaalsContact O-ND2 3.12Å; K402-G526 WeakPolarHBondContact CE-O 3.25Å; K402-G526 PolarHBondContact NZ-O 2.9Å; K402-F527 HydrophobicContact CB-CE1 3.92Å; K402-F527 HydrophobicContact CB-CZ 4.02Å; K402-F527 HydrophobicContact CD-CD1 4.41Å; K402-F527 HydrophobicContact CD-CE1 3.85Å; K402-F527 HydrophobicContact CD-CZ 4.12Å; K402-F527 HydrophobicContact CG-CE1 3.99Å; K402-F527 HydrophobicContact CG-CZ 3.88Å; K402-G531 PolarHBondContact NZ-O 3.07Å; K402-Y534 WeakPolarHBondContact CE-O 3.23Å; K402-Y534 PolarHBondContact NZ-O 3.08Å; K402-D535 WeakPolarHBondContact CE-O 3.27Å; K402-S536 VanDerWaalsContact CA-OG 3.28Å; K402-S536 WeakPolarHBondContact CA-OG 3.21Å; K402-S536 PolarHBondContact N-OG 3.43Å; K402-W562 HydrophobicContact CD-CH2 4.4Å; K402-W562 HydrophobicContact CD-CZ2 4.1Å
403	I	95.9	Very high	94.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-65.9	-34	179.1	-170.1	68.2	0	0	0	111	K378 F381 N382 A399 K400 M406 M523 F527	K378-I403 HydrophobicContact CB-CG1 4.23Å; K378-I403 HydrophobicContact CG-CD1 4.17Å; K378-I403 HydrophobicContact CG-CG1 3.98Å; F381-I403 HydrophobicContact CB-CG1 4.28Å; F381-I403 HydrophobicContact CD1-CB 4.01Å; F381-I403 HydrophobicContact CD1-CD1 4.42Å; F381-I403 HydrophobicContact CD1-CG1 3.97Å; F381-I403 HydrophobicContact CD1-CG2 4.01Å; F381-I403 HydrophobicContact CE1-CB 4.32Å; F381-I403 HydrophobicContact CE1-CG2 4.46Å; F381-I403 HydrophobicContact CG-CD1 4.27Å; F381-I403 HydrophobicContact CG-CG1 4.15Å; N382-I403 WeakPolarHBondContact OD1-CG2 2.96Å; A399-I403 PolarHBondContact O-N 2.95Å; K400-I403 VanDerWaalsContact O-CG2 3.26Å; K400-I403 WeakPolarHBondContact O-CG2 3.47Å; I403-M406 HydrophobicContact CD1-CE 4Å; I403-M406 HydrophobicContact CD1-SD 3.99Å; I403-M406 WeakPolarHBondContact O-CB 3.37Å; I403-M406 PolarHBondContact O-N 3.29Å; I403-M523 HydrophobicContact CD1-CB 4.3Å; I403-M523 HydrophobicContact CD1-CG 4.35Å; I403-M523 HydrophobicContact CD1-SD 4.29Å; I403-F527 HydrophobicContact CB-CE2 4.2Å; I403-F527 HydrophobicContact CB-CZ 3.77Å; I403-F527 HydrophobicContact CD1-CE2 3.92Å; I403-F527 HydrophobicContact CD1-CZ 4.36Å
404	H	95.7	Very high	94.2	Very high	139 Å²	139	38.7 Å²	38.7	64%	0.644	19%	0.191	S	C	*	.	H	α-helix	trans	-61.8	-46.5	175.7	-177.9	69.6	0	0	0	111.7	K400 E401 K402 M406	K400-H404 VanDerWaalsContact O-CB 3.31Å; K400-H404 WeakPolarHBondContact O-CB 3.41Å; K400-H404 PolarHBondContact O-N 3.08Å; K400-H404 VanDerWaalsContact O-N 3.08Å; E401-H404 PolarHBondContact O-N 3.4Å; K402-H404 VanDerWaalsContact C-N 3.26Å; K402-H404 PolarHBondContact O-N 3.19Å; H404-M406 VanDerWaalsContact C-N 3.3Å; H404-M406 PolarHBondContact O-N 2.86Å
405	H	95.6	Very high	94.1	Very high	54 Å²	54	39.1 Å²	39.1	25%	0.25	19%	0.186	C	C	.	.	H	α-helix	trans	-80.4	-3.9	179.9	-68.4	97.3	0	0	0	114.5	E401 K402 V407 R469 S536 Y537	E401-H405 PolarHBondContact O-N 3.45Å; E401-H405 VanDerWaalsContact O-N 3.13Å; E401-H405 PolarHBondContact O-ND1 3.07Å; K402-H405 PolarHBondContact O-N 3.13Å; H405-V407 PolarHBondContact O-N 2.94Å; H405-R469 PolarHBondContact O-NH2 3.46Å; H405-S536 WeakPolarHBondContact CB-O 3.24Å; H405-Y537 PolarHBondContact NE2-OH 2.53Å
406	M	96.9	Very high	94.1	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.02	19%	0.187	C	C	.	.			trans	-63.1	125	178	-175.9	-179.7	-74.9	0	0	110.4	K378 K402 I403 H404 Y483 N488 I490 M523 F527	K378-M406 PolarHBondContact NZ-O 3.07Å; K402-M406 PolarHBondContact O-N 2.87Å; K402-M406 VanDerWaalsContact O-N 3.09Å; I403-M406 HydrophobicContact CD1-CE 4Å; I403-M406 HydrophobicContact CD1-SD 3.99Å; I403-M406 WeakPolarHBondContact O-CB 3.37Å; I403-M406 PolarHBondContact O-N 3.29Å; H404-M406 VanDerWaalsContact C-N 3.3Å; H404-M406 PolarHBondContact O-N 2.86Å; M406-Y483 HydrophobicContact CE-CD2 4.46Å; M406-Y483 HydrophobicContact CE-CE2 4Å; M406-N488 WeakPolarHBondContact CA-O 3.42Å; M406-N488 PolarHBondContact N-ND2 3.18Å; M406-I490 HydrophobicContact CG-CG2 4.48Å; M406-I490 HydrophobicContact SD-CG2 3.82Å; M406-M523 HydrophobicContact SD-CB 4.27Å; M406-M523 HydrophobicContact SD-CG 3.86Å; M406-F527 HydrophobicContact CE-CE2 4.1Å
407	V	95.5	Very high	94	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.115	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.8	178	172.5	0	0	0	0	109.5	H405 R469 H470 N488 S489 I490	H405-V407 PolarHBondContact O-N 2.94Å; V407-R469 HydrophobicContact CG2-CB 4.46Å; V407-H470 WeakPolarHBondContact CG1-CD2 3.35Å; V407-N488 PolarHBondContact N-O 3.15Å; V407-S489 CarbonylContact O-C 3.52Å; V407-S489 VanDerWaalsContact O-CA 3.25Å; V407-S489 WeakPolarHBondContact O-CA 3.42Å; V407-I490 PolarHBondContact O-N 3.42Å
408	S	95.3	Very high	94	Very high	36 Å²	36	45.4 Å²	45.4	25%	0.252	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.5	173.5	54.8	0	0	0	0	110.5	I490	S408-I490 WeakPolarHBondContact CA-O 3.41Å
409	T	93.5	Very high	94	Very high	18 Å²	18	41.3 Å²	41.3	11%	0.11	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113	174.3	-51.9	0	0	0	0	109.9	H470 F472 I490 V491 L492	T409-H470 PolarHBondContact OG1-O 3.21Å; T409-F472 HydrophobicContact CG2-CD2 3.52Å; T409-F472 HydrophobicContact CG2-CE2 4.02Å; T409-I490 PolarHBondContact N-O 3.35Å; T409-V491 WeakPolarHBondContact O-CA 3.45Å; T409-L492 PolarHBondContact O-N 3.24Å
410	V	94.8	Very high	94	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.6	-170.6	-178.5	0	0	0	0	112.1	K367 V370 D371 Y412 L492 L497	K367-V410 WeakPolarHBondContact CE-O 3.21Å; K367-V410 HydrophobicContact CG-CB 4.24Å; K367-V410 HydrophobicContact CG-CG1 4.15Å; V370-V410 HydrophobicContact CB-CG1 3.75Å; V370-V410 HydrophobicContact CG1-CG1 3.58Å; V370-V410 HydrophobicContact CG1-CG2 4.24Å; D371-V410 WeakPolarHBondContact OD1-CG2 3.45Å; V410-Y412 VanDerWaalsContact C-N 3.31Å; V410-Y412 PolarHBondContact O-N 2.03Å; V410-L492 HydrophobicContact CG2-CD1 4.19Å; V410-L497 HydrophobicContact CG1-CD1 3.85Å
411	G	94.3	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.9	-71.3	176.2	0	0	0	0	0	113	L492 P493 A494	G411-L492 WeakPolarHBondContact CA-O 3.3Å; G411-L492 PolarHBondContact N-O 3.03Å; G411-P493 CarbonylContact O-C 3.58Å; G411-A494 PolarHBondContact O-N 3.48Å
412	Y	92.8	Very high	93.8	Very high	27 Å²	27	44.5 Å²	44.5	11%	0.106	23%	0.232	C	C	.	.			trans	-158.4	153.5	-172.4	58.2	-93.1	0	0	0	111.7	V357 F362 K367 V410 I416	V357-Y412 HydrophobicContact CB-CD1 4.24Å; V357-Y412 HydrophobicContact CB-CE1 4.39Å; V357-Y412 HydrophobicContact CG1-CD1 3.75Å; V357-Y412 HydrophobicContact CG1-CE1 3.42Å; V357-Y412 VanDerWaalsContact CG1-CE1 3.42Å; V357-Y412 HydrophobicContact CG2-CD1 3.47Å; V357-Y412 VanDerWaalsContact CG2-CD1 3.47Å; V357-Y412 HydrophobicContact CG2-CE1 4.07Å; V357-Y412 HydrophobicContact CG2-CG 4Å; F362-Y412 HydrophobicContact CD1-CD1 4.19Å; F362-Y412 AromaticContact CD1-CE1 3.94Å; F362-Y412 HydrophobicContact CD1-CE1 3.94Å; F362-Y412 HydrophobicContact CE1-CD1 4.48Å; F362-Y412 HydrophobicContact CE1-CE1 4.36Å; K367-Y412 PolarHBondContact NZ-O 2.82Å; V410-Y412 VanDerWaalsContact C-N 3.31Å; V410-Y412 PolarHBondContact O-N 2.03Å; Y412-I416 HydrophobicContact CD2-CD1 3.26Å; Y412-I416 HydrophobicContact CD2-CG1 3.99Å; Y412-I416 HydrophobicContact CE2-CD1 3.79Å; Y412-I416 HydrophobicContact CG-CD1 3.76Å
413	P	91.3	Very high	93.8	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.039	23%	0.232	C	C	.	.			trans	-79.4	152.8	175.7	31.6	-30.3	0	0	0	111.6	Y350 E415 I416 F472	Y350-P413 HydrophobicContact CD1-CG 4.12Å; Y350-P413 HydrophobicContact CE1-CG 3.68Å; Y350-P413 HydrophobicContact CE2-CG 4.42Å; P413-E415 HydrophobicContact CB-CB 4.29Å; P413-E415 VanDerWaalsContact CB-OE2 3.27Å; P413-E415 WeakPolarHBondContact CB-OE2 3.4Å; P413-E415 PolarHBondContact O-N 3.18Å; P413-I416 HydrophobicContact CG-CG2 3.97Å; P413-I416 WeakPolarHBondContact O-CG1 3.49Å; P413-I416 WeakPolarHBondContact O-CG2 3.37Å; P413-I416 PolarHBondContact O-N 3.26Å; P413-F472 HydrophobicContact CB-CB 3.97Å; P413-F472 HydrophobicContact CB-CD2 4Å; P413-F472 HydrophobicContact CB-CG 4.26Å; P413-F472 VanDerWaalsContact CD-CD2 3.45Å; P413-F472 HydrophobicContact CG-CB 3.9Å; P413-F472 HydrophobicContact CG-CD2 3.94Å; P413-F472 HydrophobicContact CG-CG 3.95Å
414	E	91.2	Very high	93.8	Very high	111 Å²	111	45.2 Å²	45.2	52%	0.519	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22.1	178.6	-69.6	-58.8	143	0	0	112.3	K367 I416 N417	K367-E414 IonicContact NZ-OE1 2.86Å; E414-I416 PolarHBondContact O-N 3.08Å; E414-I416 VanDerWaalsContact O-N 3.14Å; E414-N417 WeakPolarHBondContact O-CB 3.45Å; E414-N417 PolarHBondContact O-N 3.46Å; E414-N417 PolarHBondContact O-ND2 3.37Å; E414-N417 PolarHBondContact OE2-ND2 2.76Å
415	E	89.8	Confident	93.8	Very high	93 Å²	93	39 Å²	39	44%	0.435	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-53.1	-26.8	174.2	-75.1	72.2	-163.8	0	0	113	Y350 P413 N417 K418 I422	Y350-E415 HydrophobicContact CE2-CB 4.49Å; P413-E415 HydrophobicContact CB-CB 4.29Å; P413-E415 VanDerWaalsContact CB-OE2 3.27Å; P413-E415 WeakPolarHBondContact CB-OE2 3.4Å; P413-E415 PolarHBondContact O-N 3.18Å; E415-N417 PolarHBondContact O-N 2.9Å; E415-K418 CarbonylContact O-C 3.48Å; E415-K418 PolarHBondContact O-N 2.92Å; E415-I422 HydrophobicContact CB-CD1 3.86Å
416	I	92.1	Very high	93.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-59	-20.8	175.3	72.2	172.6	0	0	0	112.4	Y350 K354 Y412 P413 E414 K418 L419 P476	Y350-I416 HydrophobicContact CG-CG2 4.43Å; K354-I416 HydrophobicContact CB-CB 4.28Å; K354-I416 WeakPolarHBondContact CD-O 2.79Å; Y412-I416 HydrophobicContact CD2-CD1 3.26Å; Y412-I416 HydrophobicContact CD2-CG1 3.99Å; Y412-I416 HydrophobicContact CE2-CD1 3.79Å; Y412-I416 HydrophobicContact CG-CD1 3.76Å; P413-I416 HydrophobicContact CG-CG2 3.97Å; P413-I416 WeakPolarHBondContact O-CG1 3.49Å; P413-I416 WeakPolarHBondContact O-CG2 3.37Å; P413-I416 PolarHBondContact O-N 3.26Å; E414-I416 PolarHBondContact O-N 3.08Å; E414-I416 VanDerWaalsContact O-N 3.14Å; I416-K418 VanDerWaalsContact C-N 3.3Å; I416-L419 VanDerWaalsContact O-CD2 3.31Å; I416-L419 WeakPolarHBondContact O-CD2 3.15Å; I416-L419 VanDerWaalsContact O-CG 3.28Å; I416-L419 WeakPolarHBondContact O-CG 3.2Å; I416-P476 HydrophobicContact CG2-CG 4.4Å
417	N	92.2	Very high	93.8	Very high	91 Å²	91	37.5 Å²	37.5	49%	0.487	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-80.2	-11.8	176.8	-65.4	-50.4	0	0	0	113	E414 E415	E414-N417 WeakPolarHBondContact O-CB 3.45Å; E414-N417 PolarHBondContact O-N 3.46Å; E414-N417 PolarHBondContact O-ND2 3.37Å; E414-N417 PolarHBondContact OE2-ND2 2.76Å; E415-N417 PolarHBondContact O-N 2.9Å
418	K	94	Very high	93.8	Very high	150 Å²	150	42.7 Å²	42.7	65%	0.652	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-123.4	42.5	-175.8	-59.6	178.7	-175.6	171.2	0	112.1	E415 I416 D420 A421	E415-K418 CarbonylContact O-C 3.48Å; E415-K418 PolarHBondContact O-N 2.92Å; I416-K418 VanDerWaalsContact C-N 3.3Å; K418-D420 VanDerWaalsContact C-N 3.32Å; K418-D420 PolarHBondContact O-N 2.76Å; K418-A421 HydrophobicContact CB-CB 4.33Å; K418-A421 VanDerWaalsContact O-CB 3.32Å; K418-A421 WeakPolarHBondContact O-CB 3.4Å; K418-A421 PolarHBondContact O-N 2.77Å
419	L	94.7	Very high	93.7	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-53	-43	-174.2	-58.5	179.8	0	0	0	114	S67 I68 A351 K354 I416 A421 I422 Y423	S67-L419 VanDerWaalsContact CB-CB 3.46Å; S67-L419 WeakPolarHBondContact OG-CB 3.44Å; S67-L419 PolarHBondContact OG-O 3.36Å; I68-L419 HydrophobicContact CD1-CD1 3.88Å; I68-L419 HydrophobicContact CG1-CD1 4.28Å; A351-L419 HydrophobicContact CB-CD1 3.98Å; K354-L419 HydrophobicContact CB-CD1 4.36Å; K354-L419 HydrophobicContact CD-CD1 3.68Å; K354-L419 HydrophobicContact CD-CG 4.26Å; I416-L419 VanDerWaalsContact O-CD2 3.31Å; I416-L419 WeakPolarHBondContact O-CD2 3.15Å; I416-L419 VanDerWaalsContact O-CG 3.28Å; I416-L419 WeakPolarHBondContact O-CG 3.2Å; L419-A421 PolarHBondContact O-N 3.3Å; L419-I422 WeakPolarHBondContact O-CA 3.24Å; L419-I422 WeakPolarHBondContact O-CB 3.03Å; L419-I422 PolarHBondContact O-N 2.8Å; L419-Y423 HydrophobicContact CB-CD2 4.16Å; L419-Y423 HydrophobicContact CB-CE2 4.37Å; L419-Y423 HydrophobicContact CD2-CE2 4.14Å; L419-Y423 WeakPolarHBondContact O-CD2 3.4Å; L419-Y423 PolarHBondContact O-N 2.87Å
420	D	94.3	Very high	93.7	Very high	61 Å²	61	49.8 Å²	49.8	33%	0.326	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-23	-179.7	-76.4	9.9	0	0	0	112.9	S67 K418 I422 G424 L427	S67-D420 VanDerWaalsContact CB-OD1 3.26Å; S67-D420 WeakPolarHBondContact CB-OD1 3.49Å; S67-D420 PolarHBondContact N-OD1 2.6Å; S67-D420 WeakPolarHBondContact OG-CA 3.49Å; S67-D420 PolarHBondContact OG-N 3.33Å; S67-D420 PolarHBondContact OG-OD1 3.49Å; K418-D420 VanDerWaalsContact C-N 3.32Å; K418-D420 PolarHBondContact O-N 2.76Å; D420-I422 VanDerWaalsContact C-N 3.31Å; D420-G424 WeakPolarHBondContact O-CA 3.48Å; D420-G424 PolarHBondContact O-N 2.93Å; D420-L427 HydrophobicContact CB-CD1 4.44Å
421	A	92.8	Very high	93.5	Very high	84 Å²	84	56.7 Å²	56.7	69%	0.694	29%	0.29	S	S	*	.	H	α-helix	trans	-74.6	-24.9	172.3	0	0	0	0	0	112.2	K418 L419	K418-A421 HydrophobicContact CB-CB 4.33Å; K418-A421 VanDerWaalsContact O-CB 3.32Å; K418-A421 WeakPolarHBondContact O-CB 3.4Å; K418-A421 PolarHBondContact O-N 2.77Å; L419-A421 PolarHBondContact O-N 3.3Å
422	I	92.1	Very high	93.3	Very high	30 Å²	30	60.1 Å²	60.1	15%	0.154	31%	0.308	C	S	.	.	H	α-helix	trans	-88.9	-47.7	-178.3	-56.6	173.9	0	0	0	110	Y350 E415 L419 D420 W454	Y350-I422 HydrophobicContact CD2-CD1 3.56Å; Y350-I422 HydrophobicContact CD2-CG2 4.44Å; Y350-I422 HydrophobicContact CE2-CD1 4.11Å; E415-I422 HydrophobicContact CB-CD1 3.86Å; L419-I422 WeakPolarHBondContact O-CA 3.24Å; L419-I422 WeakPolarHBondContact O-CB 3.03Å; L419-I422 PolarHBondContact O-N 2.8Å; D420-I422 VanDerWaalsContact C-N 3.31Å; I422-W454 WeakPolarHBondContact O-CZ2 3.5Å
423	Y	95.2	Very high	93.3	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-96	4	-176.4	-55.7	-55	0	0	0	113.5	F347 L348 Y350 A351 L419 P425 L426 L427 W454	F347-Y423 WeakPolarHBondContact O-CE1 3.19Å; L348-Y423 VanDerWaalsContact C-OH 3.31Å; L348-Y423 WeakPolarHBondContact CA-OH 3.45Å; L348-Y423 HydrophobicContact CD2-CD1 3.67Å; L348-Y423 HydrophobicContact CD2-CD2 4.27Å; L348-Y423 HydrophobicContact CD2-CE1 3.58Å; L348-Y423 HydrophobicContact CD2-CE2 4.18Å; L348-Y423 HydrophobicContact CD2-CG 4.02Å; Y350-Y423 WeakPolarHBondContact CB-OH 3.46Å; Y350-Y423 PolarHBondContact N-OH 3.46Å; A351-Y423 HydrophobicContact CB-CE2 3.92Å; L419-Y423 HydrophobicContact CB-CD2 4.16Å; L419-Y423 HydrophobicContact CB-CE2 4.37Å; L419-Y423 HydrophobicContact CD2-CE2 4.14Å; L419-Y423 WeakPolarHBondContact O-CD2 3.4Å; L419-Y423 PolarHBondContact O-N 2.87Å; Y423-P425 VanDerWaalsContact C-CD 3.42Å; Y423-P425 VanDerWaalsContact C-N 3.29Å; Y423-P425 VanDerWaalsContact O-N 3.15Å; Y423-L426 HydrophobicContact CD1-CD1 4.09Å; Y423-L426 WeakPolarHBondContact O-CA 3.25Å; Y423-L426 WeakPolarHBondContact O-CB 3.32Å; Y423-L426 PolarHBondContact O-N 3.34Å; Y423-L427 PolarHBondContact O-N 2.96Å; Y423-W454 AromaticContact CD1-CH2 3.76Å; Y423-W454 HydrophobicContact CD1-CH2 3.76Å; Y423-W454 AromaticContact CD1-CZ2 3.95Å; Y423-W454 HydrophobicContact CD1-CZ2 3.95Å; Y423-W454 AromaticContact CE1-CH2 3.72Å; Y423-W454 HydrophobicContact CE1-CH2 3.72Å; Y423-W454 HydrophobicContact CE1-CZ2 4.31Å; Y423-W454 HydrophobicContact CE1-CZ3 4.45Å
424	G	95.5	Very high	93.4	Very high	13 Å²	13	65.4 Å²	65.4	13%	0.134	33%	0.332	C	S	.	.	H	α-helix	trans	-43.3	-46.3	177.6	0	0	0	0	0	114.9	D420 L426 L427 K428	D420-G424 WeakPolarHBondContact O-CA 3.48Å; D420-G424 PolarHBondContact O-N 2.93Å; G424-L426 VanDerWaalsContact C-N 3.26Å; G424-L426 PolarHBondContact O-N 3.29Å; G424-L427 WeakPolarHBondContact O-CB 3.32Å; G424-L427 PolarHBondContact O-N 2.89Å; G424-K428 PolarHBondContact O-N 2.82Å
425	P	95.8	Very high	93.5	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.052	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-28.7	176.4	-27	36.9	0	0	0	114.9	Y423 L427 Y433 T436	Y423-P425 VanDerWaalsContact C-CD 3.42Å; Y423-P425 VanDerWaalsContact C-N 3.29Å; Y423-P425 VanDerWaalsContact O-N 3.15Å; P425-L427 VanDerWaalsContact C-N 3.3Å; P425-Y433 HydrophobicContact CB-CD1 4.1Å; P425-Y433 HydrophobicContact CB-CD2 3.73Å; P425-Y433 HydrophobicContact CB-CE2 4.3Å; P425-Y433 HydrophobicContact CB-CG 3.63Å; P425-Y433 HydrophobicContact CG-CD1 4.3Å; P425-Y433 HydrophobicContact CG-CD2 3.46Å; P425-Y433 VanDerWaalsContact CG-CD2 3.46Å; P425-Y433 HydrophobicContact CG-CE1 4.37Å; P425-Y433 HydrophobicContact CG-CE2 3.58Å; P425-Y433 HydrophobicContact CG-CG 3.86Å; P425-T436 PolarHBondContact O-OG1 3.34Å
426	L	97	Very high	93.8	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-78.4	-17.3	175.2	-59.7	174.9	0	0	0	112.4	L70 L348 Y423 G424 T436 I438 M451 W454	L70-L426 HydrophobicContact CD2-CB 3.69Å; L70-L426 HydrophobicContact CD2-CD1 4.03Å; L348-L426 HydrophobicContact CD2-CD1 4.21Å; Y423-L426 HydrophobicContact CD1-CD1 4.09Å; Y423-L426 WeakPolarHBondContact O-CA 3.25Å; Y423-L426 WeakPolarHBondContact O-CB 3.32Å; Y423-L426 PolarHBondContact O-N 3.34Å; G424-L426 VanDerWaalsContact C-N 3.26Å; G424-L426 PolarHBondContact O-N 3.29Å; L426-T436 WeakPolarHBondContact CD2-O 3.37Å; L426-I438 HydrophobicContact CB-CD1 4.38Å; L426-I438 HydrophobicContact CD2-CD1 4.14Å; L426-I438 PolarHBondContact O-N 3.35Å; L426-M451 HydrophobicContact CD2-CG 4.33Å; L426-W454 HydrophobicContact CD1-CD2 4.05Å; L426-W454 HydrophobicContact CD1-CE3 4.06Å; L426-W454 HydrophobicContact CD1-CZ3 4.36Å; L426-W454 HydrophobicContact CD2-CB 3.59Å; L426-W454 HydrophobicContact CD2-CD2 4.03Å; L426-W454 HydrophobicContact CD2-CE3 4.44Å; L426-W454 HydrophobicContact CD2-CG 3.65Å; L426-W454 HydrophobicContact CG-CB 4.46Å; L426-W454 HydrophobicContact CG-CD2 4.04Å; L426-W454 HydrophobicContact CG-CG 4Å
427	L	96	Very high	94	Very high	26 Å²	26	62.1 Å²	62.1	14%	0.136	32%	0.321	C	S	.	.	H	α-helix	trans	-97.4	-25.7	-174	-63.8	174.7	0	0	0	113.7	R66 L70 D420 Y423 G424 P425	R66-L427 HydrophobicContact CB-CD1 3.83Å; R66-L427 HydrophobicContact CB-CD2 4.14Å; R66-L427 PolarHBondContact NH2-O 3.08Å; L70-L427 HydrophobicContact CB-CD2 3.76Å; L70-L427 HydrophobicContact CD2-CD2 3.9Å; L70-L427 HydrophobicContact CD2-CG 4.44Å; L70-L427 HydrophobicContact CG-CD2 4.31Å; D420-L427 HydrophobicContact CB-CD1 4.44Å; Y423-L427 PolarHBondContact O-N 2.96Å; G424-L427 WeakPolarHBondContact O-CB 3.32Å; G424-L427 PolarHBondContact O-N 2.89Å; P425-L427 VanDerWaalsContact C-N 3.3Å
428	K	95.2	Very high	94.3	Very high	128 Å²	128	58 Å²	58	56%	0.557	30%	0.299	S	S	*	.	S	Bend	trans	-161.6	157.9	-179.2	60.2	171.6	-175.7	170.9	0	110.5	G424	G424-K428 PolarHBondContact O-N 2.82Å
429	E	94.1	Very high	94.3	Very high	130 Å²	130	54.9 Å²	54.9	61%	0.607	29%	0.29	S	S	*	.			trans	-53.7	142.6	176.4	-65.6	-59.7	152.6	0	0	111.7	V437	E429-V437 HydrophobicContact CG-CG2 4.15Å; E429-V437 VanDerWaalsContact N-CG2 3.34Å; E429-V437 WeakPolarHBondContact OE1-CG2 3.36Å
430	H	92	Very high	94.1	Very high	74 Å²	74	58.8 Å²	58.8	34%	0.343	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-146.4	138.3	-177.8	-168.8	-70.1	0	0	0	110.1	D432 Y433	H430-D432 VanDerWaalsContact C-N 3.34Å; H430-D432 IonicContact CE1-OD2 3.63Å; H430-D432 PolarHBondContact ND1-N 2.88Å; H430-D432 VanDerWaalsContact ND1-N 3.17Å; H430-D432 PolarHBondContact O-N 3.4Å; H430-Y433 HydrophobicContact CB-CD2 4.17Å; H430-Y433 AromaticContact CG-CD2 3.84Å; H430-Y433 AromaticContact ND1-CD2 3.52Å; H430-Y433 CarbonylContact O-C 3.6Å; H430-Y433 PolarHBondContact O-N 3.33Å
431	D	90.6	Very high	94	Very high	147 Å²	147	63.6 Å²	63.6	79%	0.786	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-41.6	-173.6	-62.5	-22.9	0	0	0	112.9	Y433 H434	D431-Y433 VanDerWaalsContact C-N 3.29Å; D431-Y433 PolarHBondContact O-N 3.44Å; D431-H434 PolarHBondContact O-CE1 3Å; D431-H434 PolarHBondContact O-NE2 3.24Å
432	D	89.8	Confident	94.2	Very high	71 Å²	71	61 Å²	61	38%	0.38	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-3.7	177	-66.1	-50.1	0	0	0	115	R261 H430 N461	R261-D432 IonicContact NH1-OD1 3.26Å; R261-D432 PolarHBondContact NH1-OD1 3.23Å; H430-D432 VanDerWaalsContact C-N 3.34Å; H430-D432 IonicContact CE1-OD2 3.63Å; H430-D432 PolarHBondContact ND1-N 2.88Å; H430-D432 VanDerWaalsContact ND1-N 3.17Å; H430-D432 PolarHBondContact O-N 3.4Å; D432-N461 PolarHBondContact O-ND2 3Å; D432-N461 VanDerWaalsContact O-ND2 3.07Å
433	Y	94	Very high	94.3	Very high	28 Å²	28	61.2 Å²	61.2	11%	0.11	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-137.8	102.6	-175.1	-60	-91.5	0	0	0	112.7	P425 H430 D431 W454 Q457 K458	P425-Y433 HydrophobicContact CB-CD1 4.1Å; P425-Y433 HydrophobicContact CB-CD2 3.73Å; P425-Y433 HydrophobicContact CB-CE2 4.3Å; P425-Y433 HydrophobicContact CB-CG 3.63Å; P425-Y433 HydrophobicContact CG-CD1 4.3Å; P425-Y433 HydrophobicContact CG-CD2 3.46Å; P425-Y433 VanDerWaalsContact CG-CD2 3.46Å; P425-Y433 HydrophobicContact CG-CE1 4.37Å; P425-Y433 HydrophobicContact CG-CE2 3.58Å; P425-Y433 HydrophobicContact CG-CG 3.86Å; H430-Y433 HydrophobicContact CB-CD2 4.17Å; H430-Y433 AromaticContact CG-CD2 3.84Å; H430-Y433 AromaticContact ND1-CD2 3.52Å; H430-Y433 CarbonylContact O-C 3.6Å; H430-Y433 PolarHBondContact O-N 3.33Å; D431-Y433 VanDerWaalsContact C-N 3.29Å; D431-Y433 PolarHBondContact O-N 3.44Å; Y433-W454 AromaticContact CD1-CD1 3.86Å; Y433-W454 AromaticContact CE1-CD1 3.93Å; Y433-Q457 HydrophobicContact CD1-CB 3.83Å; Y433-Q457 HydrophobicContact CE1-CB 4.18Å; Y433-K458 HydrophobicContact CE1-CB 3.94Å
434	H	92.3	Very high	94.3	Very high	116 Å²	116	61.1 Å²	61.1	54%	0.537	32%	0.321	S	S	.	.			trans	-96.5	141	-177.7	-54.2	-57.6	0	0	0	112	D431 T436 Q457	D431-H434 PolarHBondContact O-CE1 3Å; D431-H434 PolarHBondContact O-NE2 3.24Å; H434-T436 VanDerWaalsContact C-N 3.29Å; H434-T436 WeakPolarHBondContact O-CG2 3.37Å; H434-T436 PolarHBondContact O-N 3.4Å; H434-Q457 VanDerWaalsContact N-OE1 3.12Å; H434-Q457 PolarHBondContact O-NE2 3.13Å
435	D	93.2	Very high	94.3	Very high	126 Å²	126	60.7 Å²	60.7	67%	0.674	32%	0.316	S	S	*	.	S	Bend	trans	60	31.3	176.2	-57.7	-37.9	0	0	0	114.5	K450	D435-K450 WeakPolarHBondContact O-CG 3.35Å
436	T	96.5	Very high	94.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.322	C	S	.	.			trans	-105.2	-14	-176	58.1	0	0	0	0	114.6	P425 L426 H434 I438 T453 W454	P425-T436 PolarHBondContact O-OG1 3.34Å; L426-T436 WeakPolarHBondContact CD2-O 3.37Å; H434-T436 VanDerWaalsContact C-N 3.29Å; H434-T436 WeakPolarHBondContact O-CG2 3.37Å; H434-T436 PolarHBondContact O-N 3.4Å; T436-I438 PolarHBondContact O-N 2.76Å; T436-T453 HydrophobicContact CG2-CG2 4.02Å; T436-W454 HydrophobicContact CG2-CB 3.78Å
437	V	97.5	Very high	94.3	Very high	14 Å²	14	62.2 Å²	62.2	9%	0.085	32%	0.322	C	S	.	.			trans	-67.7	122.3	-174.2	-177.1	0	0	0	0	111.4	E429 N439 K450	E429-V437 HydrophobicContact CG-CG2 4.15Å; E429-V437 VanDerWaalsContact N-CG2 3.34Å; E429-V437 WeakPolarHBondContact OE1-CG2 3.36Å; V437-N439 PolarHBondContact O-N 3.01Å; V437-K450 VanDerWaalsContact O-CD 3.3Å; V437-K450 WeakPolarHBondContact O-CD 3.39Å; V437-K450 WeakPolarHBondContact O-CE 3.49Å; V437-K450 PolarHBondContact O-NZ 2.69Å
438	I	97.2	Very high	94.2	Very high	4 Å²	4	61 Å²	61	2%	0.021	32%	0.316	C	S	.	.			trans	-86.5	111.4	177.4	-68.1	167.7	0	0	0	109.8	L70 R73 V74 L426 T436 D442 I447 K450 M451	L70-I438 HydrophobicContact CD1-CB 3.81Å; L70-I438 HydrophobicContact CD1-CD1 3.86Å; L70-I438 HydrophobicContact CD1-CG1 4.42Å; L70-I438 HydrophobicContact CD1-CG2 3.83Å; R73-I438 PolarHBondContact NH1-O 3.3Å; V74-I438 HydrophobicContact CG2-CD1 4.26Å; L426-I438 HydrophobicContact CB-CD1 4.38Å; L426-I438 HydrophobicContact CD2-CD1 4.14Å; L426-I438 PolarHBondContact O-N 3.35Å; T436-I438 PolarHBondContact O-N 2.76Å; I438-D442 WeakPolarHBondContact CA-OD2 3.41Å; I438-I447 HydrophobicContact CD1-CG2 4.17Å; I438-I447 HydrophobicContact CG2-CD1 4.27Å; I438-I447 HydrophobicContact CG2-CG1 3.95Å; I438-K450 HydrophobicContact CG1-CB 4.37Å; I438-K450 HydrophobicContact CG1-CD 4.4Å; I438-M451 HydrophobicContact CD1-CG 3.74Å; I438-M451 HydrophobicContact CD1-SD 4.11Å
439	N	95	Very high	94.2	Very high	85 Å²	85	55 Å²	55	46%	0.455	29%	0.29	S	S	.	.			trans	-90.6	159.7	178.2	-62.9	-56.9	0	0	0	111.5	V437 N441 D442	V437-N439 PolarHBondContact O-N 3.01Å; N439-N441 PolarHBondContact O-N 3.47Å; N439-D442 PolarHBondContact N-OD2 3.48Å; N439-D442 PolarHBondContact O-N 2.96Å
440	S	90.2	Very high	94.3	Very high	86 Å²	86	49.6 Å²	49.6	60%	0.601	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.8	-178.3	-45.6	0	0	0	0	114.1	R73	R73-S440 PolarHBondContact NH2-OG 3.27Å
441	N	92.9	Very high	94.4	Very high	162 Å²	162	46.1 Å²	46.1	87%	0.866	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4	-178	-61.5	-4.6	0	0	0	112.7	N439 S443	N439-N441 PolarHBondContact O-N 3.47Å; N441-S443 PolarHBondContact O-N 3.23Å
442	D	95.3	Very high	94.5	Very high	29 Å²	29	39.4 Å²	39.4	16%	0.155	21%	0.212	C	C	.	.			trans	-68.1	131.6	177.5	-69.8	-21	0	0	0	109.4	I438 N439 E446 I447 K450	I438-D442 WeakPolarHBondContact CA-OD2 3.41Å; N439-D442 PolarHBondContact N-OD2 3.48Å; N439-D442 PolarHBondContact O-N 2.96Å; D442-E446 HydrophobicContact CB-CB 4.36Å; D442-E446 HydrophobicContact CB-CG 4.48Å; D442-I447 HydrophobicContact CB-CD1 4.35Å; D442-I447 HydrophobicContact CB-CG1 3.72Å; D442-K450 VanDerWaalsContact CG-NZ 3.25Å; D442-K450 IonicContact OD1-NZ 4Å; D442-K450 PolarHBondContact OD1-NZ 3.05Å; D442-K450 VanDerWaalsContact OD1-NZ 3.13Å; D442-K450 IonicContact OD2-NZ 4Å; D442-K450 PolarHBondContact OD2-NZ 2.82Å
443	S	95.1	Very high	94.8	Very high	34 Å²	34	36.4 Å²	36.4	24%	0.238	20%	0.197	C	C	.	.			trans	-66.5	159.5	170.9	67.8	0	0	0	0	110.3	N441 F445 E446 I447	N441-S443 PolarHBondContact O-N 3.23Å; S443-F445 PolarHBondContact O-N 3.47Å; S443-F445 VanDerWaalsContact O-N 3.16Å; S443-E446 PolarHBondContact O-N 3.19Å; S443-E446 PolarHBondContact OG-N 3.43Å; S443-I447 WeakPolarHBondContact O-CG1 3.47Å; S443-I447 PolarHBondContact O-N 3.18Å
444	F	95.3	Very high	94.9	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	19%	0.192	C	C	.	.	H	α-helix	trans	-54.9	-35.7	175.5	-175.5	-122.1	0	0	0	112.9	C78 I84 F304 Y332 Y336 I447 N448	C78-F444 HydrophobicContact CB-CD2 3.65Å; C78-F444 HydrophobicContact CB-CE1 4.44Å; C78-F444 HydrophobicContact CB-CE2 3.4Å; C78-F444 HydrophobicContact CB-CG 4.3Å; C78-F444 HydrophobicContact CB-CZ 3.84Å; C78-F444 VanDerWaalsContact SG-CZ 3.53Å; I84-F444 HydrophobicContact CD1-CB 4.02Å; I84-F444 HydrophobicContact CD1-CD1 4.03Å; I84-F444 HydrophobicContact CD1-CG 4.36Å; I84-F444 HydrophobicContact CG1-CB 4.22Å; F304-F444 AromaticContact CD1-CD1 3.86Å; F304-F444 HydrophobicContact CD1-CD1 3.86Å; F304-F444 AromaticContact CD1-CE1 3.36Å; F304-F444 HydrophobicContact CD1-CE1 3.36Å; F304-F444 AromaticContact CD1-CZ 3.96Å; F304-F444 HydrophobicContact CD1-CZ 3.96Å; F304-F444 AromaticContact CE1-CE1 3.7Å; F304-F444 HydrophobicContact CE1-CE1 3.7Å; F304-F444 AromaticContact CE1-CZ 3.86Å; F304-F444 HydrophobicContact CE1-CZ 3.86Å; Y332-F444 AromaticContact CE1-CE1 3.83Å; Y332-F444 HydrophobicContact CE1-CE1 3.83Å; Y332-F444 HydrophobicContact CE1-CZ 4.03Å; Y336-F444 AromaticContact CD1-CE2 3.77Å; Y336-F444 HydrophobicContact CD1-CE2 3.77Å; Y336-F444 AromaticContact CD1-CZ 3.83Å; Y336-F444 HydrophobicContact CD1-CZ 3.83Å; Y336-F444 HydrophobicContact CD2-CZ 4.07Å; Y336-F444 AromaticContact CE1-CE2 3.36Å; Y336-F444 HydrophobicContact CE1-CE2 3.36Å; Y336-F444 AromaticContact CE1-CZ 3.71Å; Y336-F444 HydrophobicContact CE1-CZ 3.71Å; Y336-F444 HydrophobicContact CE2-CE2 4.37Å; Y336-F444 AromaticContact CE2-CZ 3.97Å; Y336-F444 HydrophobicContact CE2-CZ 3.97Å; Y336-F444 HydrophobicContact CG-CE2 4.38Å; Y336-F444 AromaticContact CG-CZ 3.97Å; Y336-F444 HydrophobicContact CG-CZ 3.97Å; Y336-F444 AromaticContact CZ-CE2 3.67Å; Y336-F444 AromaticContact CZ-CZ 3.75Å; F444-I447 PolarHBondContact O-N 2.95Å; F444-N448 PolarHBondContact O-N 2.79Å
445	F	95.9	Very high	94.9	Very high	4 Å²	4	31 Å²	31	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-46.2	174.2	-175.9	-78.1	0	0	0	112.7	P91 L92 L95 R301 F304 L305 S443 N448 T449	P91-F445 HydrophobicContact CB-CB 3.97Å; P91-F445 HydrophobicContact CB-CD1 3.39Å; P91-F445 HydrophobicContact CB-CD2 4.15Å; P91-F445 HydrophobicContact CB-CE1 3.84Å; P91-F445 HydrophobicContact CB-CE2 4.5Å; P91-F445 HydrophobicContact CB-CG 3.58Å; P91-F445 HydrophobicContact CB-CZ 4.37Å; P91-F445 HydrophobicContact CG-CB 4.49Å; P91-F445 VanDerWaalsContact O-CE1 3.28Å; P91-F445 WeakPolarHBondContact O-CE1 3.17Å; L92-F445 HydrophobicContact CB-CZ 4.46Å; L95-F445 HydrophobicContact CB-CE1 3.97Å; L95-F445 HydrophobicContact CB-CZ 4.17Å; L95-F445 HydrophobicContact CD2-CE1 3.97Å; L95-F445 HydrophobicContact CD2-CZ 3.7Å; L95-F445 HydrophobicContact CG-CE1 4.4Å; R301-F445 HydrophobicContact CB-CE2 3.76Å; R301-F445 HydrophobicContact CB-CZ 4.07Å; R301-F445 HydrophobicContact CG-CE2 4.13Å; R301-F445 HydrophobicContact CG-CZ 3.97Å; F304-F445 HydrophobicContact CB-CD2 3.95Å; L305-F445 HydrophobicContact CD1-CE2 4.4Å; L305-F445 HydrophobicContact CD2-CD2 3.56Å; L305-F445 HydrophobicContact CD2-CE2 3.5Å; L305-F445 VanDerWaalsContact CD2-CE2 3.5Å; L305-F445 HydrophobicContact CG-CD2 4Å; L305-F445 HydrophobicContact CG-CE2 3.84Å; S443-F445 PolarHBondContact O-N 3.47Å; S443-F445 VanDerWaalsContact O-N 3.16Å; F445-N448 PolarHBondContact O-N 3.44Å; F445-T449 PolarHBondContact O-N 3.24Å; F445-T449 VanDerWaalsContact O-N 3.09Å; F445-T449 PolarHBondContact O-OG1 2.97Å
446	E	95.6	Very high	94.9	Very high	39 Å²	39	25.4 Å²	25.4	18%	0.182	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-39.1	179.1	-173.1	59.7	-160.8	0	0	110.9	R98 D442 S443 N448 T449 K450	R98-E446 IonicContact CZ-OE1 2.73Å; R98-E446 IonicContact CZ-OE2 3.42Å; R98-E446 IonicContact NH1-OE1 3.65Å; R98-E446 PolarHBondContact NH1-OE1 2.71Å; R98-E446 VanDerWaalsContact NH1-OE1 3.12Å; R98-E446 IonicContact NH1-OE2 3.37Å; R98-E446 IonicContact NH2-OE1 2.65Å; R98-E446 IonicContact NH2-OE2 3.39Å; R98-E446 PolarHBondContact NH2-OE2 2.82Å; D442-E446 HydrophobicContact CB-CB 4.36Å; D442-E446 HydrophobicContact CB-CG 4.48Å; S443-E446 PolarHBondContact O-N 3.19Å; S443-E446 PolarHBondContact OG-N 3.43Å; E446-N448 VanDerWaalsContact C-N 3.33Å; E446-N448 PolarHBondContact O-N 3.04Å; E446-T449 WeakPolarHBondContact O-CB 3.5Å; E446-T449 PolarHBondContact O-N 2.8Å; E446-T449 VanDerWaalsContact O-N 3.15Å; E446-K450 HydrophobicContact CG-CD 4.3Å; E446-K450 HydrophobicContact CG-CG 4.45Å; E446-K450 WeakPolarHBondContact O-CG 3.46Å; E446-K450 PolarHBondContact O-N 2.96Å
447	I	96	Very high	94.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-54.7	-48.6	172.3	-71.9	172.6	0	0	0	110.9	V74 A77 I438 D442 S443 F444 T449 K450 M451	V74-I447 HydrophobicContact CB-CG2 4.44Å; V74-I447 HydrophobicContact CG1-CG2 3.95Å; V74-I447 HydrophobicContact CG2-CG2 3.87Å; A77-I447 HydrophobicContact CB-CD1 3.54Å; I438-I447 HydrophobicContact CD1-CG2 4.17Å; I438-I447 HydrophobicContact CG2-CD1 4.27Å; I438-I447 HydrophobicContact CG2-CG1 3.95Å; D442-I447 HydrophobicContact CB-CD1 4.35Å; D442-I447 HydrophobicContact CB-CG1 3.72Å; S443-I447 WeakPolarHBondContact O-CG1 3.47Å; S443-I447 PolarHBondContact O-N 3.18Å; F444-I447 PolarHBondContact O-N 2.95Å; I447-T449 VanDerWaalsContact C-N 3.35Å; I447-T449 PolarHBondContact O-N 2.85Å; I447-K450 PolarHBondContact O-N 2.87Å; I447-M451 HydrophobicContact CG2-CE 3.67Å; I447-M451 HydrophobicContact CG2-SD 4.28Å; I447-M451 WeakPolarHBondContact O-CG 3.42Å; I447-M451 PolarHBondContact O-N 2.86Å
448	N	94.5	Very high	94.7	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-44.6	176.7	-179	56.1	0	0	0	112.1	F304 Y336 F444 F445 E446 K450 M451 L452	F304-N448 HydrophobicContact CD1-CB 3.83Å; F304-N448 WeakPolarHBondContact CD2-ND2 3.18Å; F304-N448 HydrophobicContact CE1-CB 3.83Å; F304-N448 VanDerWaalsContact CE1-CG 3.48Å; F304-N448 WeakPolarHBondContact CE2-ND2 3.24Å; F304-N448 HydrophobicContact CG-CB 4.33Å; F304-N448 HydrophobicContact CZ-CB 4.28Å; F304-N448 VanDerWaalsContact CZ-CG 3.43Å; F304-N448 WeakPolarHBondContact CZ-ND2 3.31Å; F304-N448 WeakPolarHBondContact CZ-OD1 3.48Å; Y336-N448 HydrophobicContact CE2-CB 4.47Å; Y336-N448 WeakPolarHBondContact CE2-OD1 3.06Å; Y336-N448 WeakPolarHBondContact OH-CA 3.4Å; Y336-N448 WeakPolarHBondContact OH-CB 3.43Å; Y336-N448 PolarHBondContact OH-OD1 3.49Å; F444-N448 PolarHBondContact O-N 2.79Å; F445-N448 PolarHBondContact O-N 3.44Å; E446-N448 VanDerWaalsContact C-N 3.33Å; E446-N448 PolarHBondContact O-N 3.04Å; N448-K450 PolarHBondContact O-N 3.19Å; N448-M451 PolarHBondContact O-N 3.02Å; N448-L452 WeakPolarHBondContact O-CG 3.37Å; N448-L452 PolarHBondContact O-N 3.33Å
449	T	94.9	Very high	94.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-50	177.2	-62.6	0	0	0	0	110.8	L95 F127 F445 E446 I447 M451 L452 T453	L95-T449 HydrophobicContact CD1-CG2 3.77Å; F127-T449 HydrophobicContact CD1-CG2 4.06Å; F127-T449 HydrophobicContact CE1-CG2 4.48Å; F445-T449 PolarHBondContact O-N 3.24Å; F445-T449 VanDerWaalsContact O-N 3.09Å; F445-T449 PolarHBondContact O-OG1 2.97Å; E446-T449 WeakPolarHBondContact O-CB 3.5Å; E446-T449 PolarHBondContact O-N 2.8Å; E446-T449 VanDerWaalsContact O-N 3.15Å; I447-T449 VanDerWaalsContact C-N 3.35Å; I447-T449 PolarHBondContact O-N 2.85Å; T449-M451 PolarHBondContact O-N 3.36Å; T449-L452 PolarHBondContact O-N 3.04Å; T449-T453 PolarHBondContact O-N 3.06Å; T449-T453 PolarHBondContact O-OG1 3.12Å
450	K	96.2	Very high	94.5	Very high	18 Å²	18	28.2 Å²	28.2	8%	0.078	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-37.7	179.4	-68.4	-178.6	172.1	-180	0	113.5	D435 V437 I438 D442 E446 I447 N448 T453 W454	D435-K450 WeakPolarHBondContact O-CG 3.35Å; V437-K450 VanDerWaalsContact O-CD 3.3Å; V437-K450 WeakPolarHBondContact O-CD 3.39Å; V437-K450 WeakPolarHBondContact O-CE 3.49Å; V437-K450 PolarHBondContact O-NZ 2.69Å; I438-K450 HydrophobicContact CG1-CB 4.37Å; I438-K450 HydrophobicContact CG1-CD 4.4Å; D442-K450 VanDerWaalsContact CG-NZ 3.25Å; D442-K450 IonicContact OD1-NZ 4Å; D442-K450 PolarHBondContact OD1-NZ 3.05Å; D442-K450 VanDerWaalsContact OD1-NZ 3.13Å; D442-K450 IonicContact OD2-NZ 4Å; D442-K450 PolarHBondContact OD2-NZ 2.82Å; E446-K450 HydrophobicContact CG-CD 4.3Å; E446-K450 HydrophobicContact CG-CG 4.45Å; E446-K450 WeakPolarHBondContact O-CG 3.46Å; E446-K450 PolarHBondContact O-N 2.96Å; I447-K450 PolarHBondContact O-N 2.87Å; N448-K450 PolarHBondContact O-N 3.19Å; K450-T453 WeakPolarHBondContact O-CB 3.44Å; K450-T453 PolarHBondContact O-N 3.2Å; K450-W454 WeakPolarHBondContact O-CB 3.32Å; K450-W454 PolarHBondContact O-N 3.39Å
451	M	94.7	Very high	94.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-70.3	-36.2	177	-70	-168.5	-57.7	0	0	112.6	V74 Y336 F347 L426 I438 I447 N448 T449 W454 L455	V74-M451 HydrophobicContact CG1-CE 4.14Å; V74-M451 HydrophobicContact CG1-SD 4.49Å; V74-M451 HydrophobicContact CG2-SD 4.44Å; Y336-M451 HydrophobicContact CE1-CE 3.44Å; Y336-M451 VanDerWaalsContact CE1-CE 3.44Å; Y336-M451 HydrophobicContact CE2-CE 4.46Å; Y336-M451 WeakPolarHBondContact OH-CE 3.47Å; F347-M451 HydrophobicContact CB-CE 4Å; F347-M451 HydrophobicContact CB-SD 3.64Å; F347-M451 HydrophobicContact CD1-CB 3.51Å; F347-M451 HydrophobicContact CD1-CE 4.27Å; F347-M451 HydrophobicContact CD1-CG 4.42Å; F347-M451 HydrophobicContact CD1-SD 4.31Å; F347-M451 HydrophobicContact CD2-CE 3.8Å; F347-M451 HydrophobicContact CE1-CB 3.75Å; F347-M451 HydrophobicContact CE2-CE 4.33Å; F347-M451 HydrophobicContact CG-CB 4.08Å; F347-M451 HydrophobicContact CG-CE 3.76Å; F347-M451 HydrophobicContact CG-SD 3.93Å; L426-M451 HydrophobicContact CD2-CG 4.33Å; I438-M451 HydrophobicContact CD1-CG 3.74Å; I438-M451 HydrophobicContact CD1-SD 4.11Å; I447-M451 HydrophobicContact CG2-CE 3.67Å; I447-M451 HydrophobicContact CG2-SD 4.28Å; I447-M451 WeakPolarHBondContact O-CG 3.42Å; I447-M451 PolarHBondContact O-N 2.86Å; N448-M451 PolarHBondContact O-N 3.02Å; T449-M451 PolarHBondContact O-N 3.36Å; M451-W454 PolarHBondContact O-N 2.65Å; M451-L455 WeakPolarHBondContact O-CB 3.48Å; M451-L455 PolarHBondContact O-N 3.3Å
452	L	93.6	Very high	94.7	Very high	7 Å²	7	19.9 Å²	19.9	4%	0.037	10%	0.099	C	C	.	.	H	α-helix	trans	-64.6	-45	171.5	-70.9	171.2	0	0	0	111.4	Q345 F347 N448 T449 W454 L455 T456	Q345-L452 HydrophobicContact CG-CD2 4.2Å; F347-L452 HydrophobicContact CE1-CD2 4Å; F347-L452 HydrophobicContact CE1-CG 4.29Å; F347-L452 HydrophobicContact CZ-CD2 3.94Å; F347-L452 HydrophobicContact CZ-CG 4.23Å; N448-L452 WeakPolarHBondContact O-CG 3.37Å; N448-L452 PolarHBondContact O-N 3.33Å; T449-L452 PolarHBondContact O-N 3.04Å; L452-W454 PolarHBondContact O-N 3.45Å; L452-L455 PolarHBondContact O-N 3Å; L452-T456 PolarHBondContact O-N 3.48Å; L452-T456 PolarHBondContact O-OG1 2.98Å
453	T	95.1	Very high	94.7	Very high	8 Å²	8	19.5 Å²	19.5	5%	0.049	10%	0.096	C	C	.	.	H	α-helix	trans	-56.4	-48.4	173.9	-49.8	0	0	0	0	111.3	S126 T436 T449 K450 L455 T456 Q457	S126-T453 PolarHBondContact O-OG1 3.39Å; T436-T453 HydrophobicContact CG2-CG2 4.02Å; T449-T453 PolarHBondContact O-N 3.06Å; T449-T453 PolarHBondContact O-OG1 3.12Å; K450-T453 WeakPolarHBondContact O-CB 3.44Å; K450-T453 PolarHBondContact O-N 3.2Å; T453-L455 VanDerWaalsContact C-N 3.34Å; T453-L455 PolarHBondContact O-N 3.17Å; T453-T456 PolarHBondContact O-N 3.31Å; T453-T456 PolarHBondContact O-OG1 3.08Å; T453-Q457 HydrophobicContact CG2-CG 4.4Å; T453-Q457 VanDerWaalsContact O-CB 3.32Å; T453-Q457 WeakPolarHBondContact O-CB 3.42Å; T453-Q457 VanDerWaalsContact O-CG 3.25Å; T453-Q457 WeakPolarHBondContact O-CG 3.45Å; T453-Q457 PolarHBondContact O-N 3.31Å
454	W	95.4	Very high	94.7	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-59.8	-43.9	177	167.2	70	0	0	0	112.2	I422 Y423 L426 Y433 T436 K450 M451 L452 K458	I422-W454 WeakPolarHBondContact O-CZ2 3.5Å; Y423-W454 AromaticContact CD1-CH2 3.76Å; Y423-W454 HydrophobicContact CD1-CH2 3.76Å; Y423-W454 AromaticContact CD1-CZ2 3.95Å; Y423-W454 HydrophobicContact CD1-CZ2 3.95Å; Y423-W454 AromaticContact CE1-CH2 3.72Å; Y423-W454 HydrophobicContact CE1-CH2 3.72Å; Y423-W454 HydrophobicContact CE1-CZ2 4.31Å; Y423-W454 HydrophobicContact CE1-CZ3 4.45Å; L426-W454 HydrophobicContact CD1-CD2 4.05Å; L426-W454 HydrophobicContact CD1-CE3 4.06Å; L426-W454 HydrophobicContact CD1-CZ3 4.36Å; L426-W454 HydrophobicContact CD2-CB 3.59Å; L426-W454 HydrophobicContact CD2-CD2 4.03Å; L426-W454 HydrophobicContact CD2-CE3 4.44Å; L426-W454 HydrophobicContact CD2-CG 3.65Å; L426-W454 HydrophobicContact CG-CB 4.46Å; L426-W454 HydrophobicContact CG-CD2 4.04Å; L426-W454 HydrophobicContact CG-CG 4Å; Y433-W454 AromaticContact CD1-CD1 3.86Å; Y433-W454 AromaticContact CE1-CD1 3.93Å; T436-W454 HydrophobicContact CG2-CB 3.78Å; K450-W454 WeakPolarHBondContact O-CB 3.32Å; K450-W454 PolarHBondContact O-N 3.39Å; M451-W454 PolarHBondContact O-N 2.65Å; L452-W454 PolarHBondContact O-N 3.45Å; W454-K458 HydrophobicContact CH2-CD 4.49Å; W454-K458 HydrophobicContact CZ2-CD 4.01Å; W454-K458 WeakPolarHBondContact O-CB 3.29Å; W454-K458 PolarHBondContact O-N 2.7Å
455	L	92.8	Very high	94.7	Very high	26 Å²	26	24.4 Å²	24.4	14%	0.136	13%	0.13	C	C	.	.	H	α-helix	trans	-64.3	-45.4	-178.4	-176	62.9	0	0	0	111.8	Q345 M451 L452 T453 K458 Q459	Q345-L455 HydrophobicContact CG-CD2 4.21Å; M451-L455 WeakPolarHBondContact O-CB 3.48Å; M451-L455 PolarHBondContact O-N 3.3Å; L452-L455 PolarHBondContact O-N 3Å; T453-L455 VanDerWaalsContact C-N 3.34Å; T453-L455 PolarHBondContact O-N 3.17Å; L455-K458 WeakPolarHBondContact O-CB 3.47Å; L455-K458 PolarHBondContact O-N 2.93Å; L455-Q459 WeakPolarHBondContact O-CG 3.47Å; L455-Q459 PolarHBondContact O-N 3.28Å
456	T	94	Very high	94.7	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.055	16%	0.162	C	C	.	.	H	α-helix	trans	-72.7	-37.6	179.8	54.2	0	0	0	0	112.3	W124 L125 L452 T453 K458 Q459 N460	W124-T456 HydrophobicContact CD2-CG2 4.33Å; W124-T456 HydrophobicContact CZ2-CG2 4.35Å; W124-T456 WeakPolarHBondContact O-CB 3.49Å; W124-T456 WeakPolarHBondContact O-CG2 3.48Å; W124-T456 PolarHBondContact O-OG1 2.97Å; L125-T456 PolarHBondContact O-OG1 2.64Å; L452-T456 PolarHBondContact O-N 3.48Å; L452-T456 PolarHBondContact O-OG1 2.98Å; T453-T456 PolarHBondContact O-N 3.31Å; T453-T456 PolarHBondContact O-OG1 3.08Å; T456-K458 VanDerWaalsContact C-N 3.33Å; T456-K458 PolarHBondContact O-N 3.5Å; T456-Q459 PolarHBondContact O-N 3.47Å; T456-N460 WeakPolarHBondContact O-CB 3.3Å; T456-N460 PolarHBondContact O-N 2.85Å
457	Q	95.2	Very high	94.4	Very high	23 Å²	23	28.3 Å²	28.3	11%	0.107	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-39.3	171	-71.4	176.4	4.8	0	0	111.5	Y433 H434 T453 Q459 N460 N461	Y433-Q457 HydrophobicContact CD1-CB 3.83Å; Y433-Q457 HydrophobicContact CE1-CB 4.18Å; H434-Q457 VanDerWaalsContact N-OE1 3.12Å; H434-Q457 PolarHBondContact O-NE2 3.13Å; T453-Q457 HydrophobicContact CG2-CG 4.4Å; T453-Q457 VanDerWaalsContact O-CB 3.32Å; T453-Q457 WeakPolarHBondContact O-CB 3.42Å; T453-Q457 VanDerWaalsContact O-CG 3.25Å; T453-Q457 WeakPolarHBondContact O-CG 3.45Å; T453-Q457 PolarHBondContact O-N 3.31Å; Q457-Q459 VanDerWaalsContact C-N 3.34Å; Q457-Q459 PolarHBondContact O-N 2.8Å; Q457-N460 PolarHBondContact O-N 3.02Å; Q457-N461 VanDerWaalsContact O-CB 3.29Å; Q457-N461 WeakPolarHBondContact O-CB 3.3Å; Q457-N461 PolarHBondContact O-N 2.95Å; Q457-N461 PolarHBondContact O-ND2 3.02Å
458	K	93.2	Very high	94.1	Very high	70 Å²	70	32.1 Å²	32.1	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-60.2	-44	174.5	-175	-175.9	178.2	-173.7	0	111	Y433 W454 L455 T456 N461 Q462	Y433-K458 HydrophobicContact CE1-CB 3.94Å; W454-K458 HydrophobicContact CH2-CD 4.49Å; W454-K458 HydrophobicContact CZ2-CD 4.01Å; W454-K458 WeakPolarHBondContact O-CB 3.29Å; W454-K458 PolarHBondContact O-N 2.7Å; L455-K458 WeakPolarHBondContact O-CB 3.47Å; L455-K458 PolarHBondContact O-N 2.93Å; T456-K458 VanDerWaalsContact C-N 3.33Å; T456-K458 PolarHBondContact O-N 3.5Å; K458-N461 PolarHBondContact O-N 3.02Å; K458-Q462 WeakPolarHBondContact O-CG 3.4Å; K458-Q462 PolarHBondContact O-N 2.88Å
459	Q	92.8	Very high	93.9	Very high	54 Å²	54	34.4 Å²	34.4	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-50.3	174.3	-72.6	-174.3	27.1	0	0	111.7	W124 V137 L455 T456 Q457 N461 Q462	W124-Q459 HydrophobicContact CH2-CB 4.45Å; W124-Q459 HydrophobicContact CZ2-CB 4.49Å; V137-Q459 HydrophobicContact CB-CB 4.22Å; V137-Q459 WeakPolarHBondContact CB-O 3.3Å; V137-Q459 HydrophobicContact CG2-CB 4.27Å; V137-Q459 VanDerWaalsContact CG2-O 3.31Å; V137-Q459 WeakPolarHBondContact CG2-O 3.43Å; L455-Q459 WeakPolarHBondContact O-CG 3.47Å; L455-Q459 PolarHBondContact O-N 3.28Å; T456-Q459 PolarHBondContact O-N 3.47Å; Q457-Q459 VanDerWaalsContact C-N 3.34Å; Q457-Q459 PolarHBondContact O-N 2.8Å; Q459-N461 PolarHBondContact O-N 2.72Å; Q459-Q462 WeakPolarHBondContact O-CB 3.47Å; Q459-Q462 PolarHBondContact O-N 3.26Å
460	N	95.5	Very high	93.7	Very high	15 Å²	15	39.7 Å²	39.7	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-54.8	-40	177.5	-173.4	41.7	0	0	0	111.6	W124 L125 F260 R261 T456 Q457 Q462 I463	W124-N460 HydrophobicContact CH2-CB 4.46Å; W124-N460 HydrophobicContact CZ3-CB 4.37Å; L125-N460 HydrophobicContact CD2-CB 3.9Å; F260-N460 WeakPolarHBondContact CA-OD1 3.2Å; F260-N460 WeakPolarHBondContact CB-OD1 3.27Å; F260-N460 WeakPolarHBondContact CD1-OD1 3.14Å; R261-N460 WeakPolarHBondContact CG-O 3.48Å; R261-N460 PolarHBondContact N-OD1 3.12Å; T456-N460 WeakPolarHBondContact O-CB 3.3Å; T456-N460 PolarHBondContact O-N 2.85Å; Q457-N460 PolarHBondContact O-N 3.02Å; N460-Q462 PolarHBondContact O-N 3.18Å; N460-I463 WeakPolarHBondContact O-CB 3.46Å; N460-I463 WeakPolarHBondContact O-CD1 3.3Å; N460-I463 VanDerWaalsContact O-CG1 3.27Å; N460-I463 WeakPolarHBondContact O-CG1 3.35Å; N460-I463 PolarHBondContact O-N 3.09Å; N460-I463 WeakPolarHBondContact OD1-CD1 3.25Å
461	N	94.8	Very high	93.3	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.037	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.6	176.5	-72.4	-25.2	0	0	0	114.4	D432 Q457 K458 Q459 K465	D432-N461 PolarHBondContact O-ND2 3Å; D432-N461 VanDerWaalsContact O-ND2 3.07Å; Q457-N461 VanDerWaalsContact O-CB 3.29Å; Q457-N461 WeakPolarHBondContact O-CB 3.3Å; Q457-N461 PolarHBondContact O-N 2.95Å; Q457-N461 PolarHBondContact O-ND2 3.02Å; K458-N461 PolarHBondContact O-N 3.02Å; Q459-N461 PolarHBondContact O-N 2.72Å; N461-K465 WeakPolarHBondContact O-CD 3.4Å; N461-K465 WeakPolarHBondContact O-CE 3.47Å; N461-K465 PolarHBondContact O-NZ 2.97Å
462	Q	93.5	Very high	93	Very high	65 Å²	65	41.5 Å²	41.5	30%	0.304	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.7	172.4	-64.8	-53.6	-44	0	0	113.4	V137 N147 K458 Q459 N460 G464 K465	V137-Q462 HydrophobicContact CG1-CB 3.94Å; N147-Q462 HydrophobicContact CB-CB 4.43Å; N147-Q462 VanDerWaalsContact CB-O 3.3Å; N147-Q462 WeakPolarHBondContact CB-O 3.46Å; K458-Q462 WeakPolarHBondContact O-CG 3.4Å; K458-Q462 PolarHBondContact O-N 2.88Å; Q459-Q462 WeakPolarHBondContact O-CB 3.47Å; Q459-Q462 PolarHBondContact O-N 3.26Å; N460-Q462 PolarHBondContact O-N 3.18Å; Q462-G464 PolarHBondContact O-N 2.75Å; Q462-K465 WeakPolarHBondContact O-CB 3.46Å; Q462-K465 PolarHBondContact O-N 3.42Å
463	I	95.8	Very high	92.5	Very high	21 Å²	21	44 Å²	44	11%	0.108	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	126	-179.4	-63.8	170.9	0	0	0	110	V137 L149 F260 R261 L263 N460 K465	V137-I463 HydrophobicContact CG1-CG1 4.12Å; V137-I463 HydrophobicContact CG2-CD1 4.09Å; V137-I463 HydrophobicContact CG2-CG1 3.62Å; L149-I463 HydrophobicContact CB-CD1 4.04Å; L149-I463 HydrophobicContact CB-CG1 4.39Å; L149-I463 HydrophobicContact CD1-CD1 4.39Å; F260-I463 HydrophobicContact CB-CD1 4.47Å; F260-I463 HydrophobicContact CD1-CD1 4.37Å; R261-I463 HydrophobicContact CB-CB 4.29Å; R261-I463 HydrophobicContact CB-CD1 4.38Å; L263-I463 HydrophobicContact CB-CG2 4.07Å; L263-I463 HydrophobicContact CD2-CD1 4.4Å; N460-I463 WeakPolarHBondContact O-CB 3.46Å; N460-I463 WeakPolarHBondContact O-CD1 3.3Å; N460-I463 VanDerWaalsContact O-CG1 3.27Å; N460-I463 WeakPolarHBondContact O-CG1 3.35Å; N460-I463 PolarHBondContact O-N 3.09Å; N460-I463 WeakPolarHBondContact OD1-CD1 3.25Å; I463-K465 PolarHBondContact O-N 3.17Å
464	G	95.1	Very high	92.1	Very high	57 Å²	57	43.7 Å²	43.7	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	-5.4	-178.2	0	0	0	0	0	115.6	N147 Q462	N147-G464 PolarHBondContact O-N 2.83Å; Q462-G464 PolarHBondContact O-N 2.75Å
465	K	94.4	Very high	91.9	Very high	84 Å²	84	43.5 Å²	43.5	37%	0.365	24%	0.242	S	C	.	.	S	Bend	trans	-82.2	157.3	176.2	-65.4	-171.5	179.3	158.4	0	111.7	N147 N461 Q462 I463	N147-K465 PolarHBondContact N-O 3.4Å; N147-K465 PolarHBondContact ND2-O 3.03Å; N461-K465 WeakPolarHBondContact O-CD 3.4Å; N461-K465 WeakPolarHBondContact O-CE 3.47Å; N461-K465 PolarHBondContact O-NZ 2.97Å; Q462-K465 WeakPolarHBondContact O-CB 3.46Å; Q462-K465 PolarHBondContact O-N 3.42Å; I463-K465 PolarHBondContact O-N 3.17Å
466	P	94.7	Very high	91.9	Very high	108 Å²	108	42.2 Å²	42.2	70%	0.701	24%	0.236	S	C	*	.	B	Isolated β-bridge	trans	-57.7	144.4	174.8	-24.8	34.7	0	0	0	113.1	T145 N147	T145-P466 CarbonylContact O-C 3.54Å; T145-P466 WeakPolarHBondContact O-CA 3.25Å; N147-P466 PolarHBondContact ND2-O 3.4Å
467	C	90.3	Very high	91.9	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.115	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-95	127.4	171.2	-177.8	0	0	0	0	110.1	A139 A144 T145	A139-C467 HydrophobicContact CB-CB 4.23Å; A144-C467 VanDerWaalsContact O-CB 3.29Å; A144-C467 WeakPolarHBondContact O-CB 3.5Å; T145-C467 PolarHBondContact O-N 2.6Å
468	D	89.2	Confident	91.7	Very high	81 Å²	81	41.8 Å²	41.8	43%	0.433	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-90.1	126.1	174	-173.8	5	0	0	0	110.9	H470 D471 R487	D468-H470 VanDerWaalsContact C-N 3.26Å; D468-H470 PolarHBondContact O-N 2.94Å; D468-H470 IonicContact OD1-CG 2.72Å; D468-H470 PolarHBondContact OD1-N 2.95Å; D468-H470 IonicContact OD1-ND1 2.8Å; D468-H470 PolarHBondContact OD1-ND1 3.26Å; D468-D471 HydrophobicContact CB-CB 4.28Å; D468-D471 PolarHBondContact O-N 3.21Å; D468-R487 WeakPolarHBondContact O-CD 3.22Å; D468-R487 PolarHBondContact O-NE 2.76Å
469	R	90.6	Very high	91.7	Very high	49 Å²	49	39 Å²	39	19%	0.185	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.7	176.8	-64.3	178.3	58.6	-154.4	-6.4	113.2	H405 V407 R487 N488 S489	H405-R469 PolarHBondContact O-NH2 3.46Å; V407-R469 HydrophobicContact CG2-CB 4.46Å; R469-R487 HydrophobicContact CB-CB 4.35Å; R469-R487 HydrophobicContact CG-CB 4.37Å; R469-R487 PolarHBondContact NE-O 2.84Å; R469-R487 PolarHBondContact NH2-O 3.46Å; R469-N488 PolarHBondContact NH2-O 2.98Å; R469-S489 VanDerWaalsContact O-CB 3.3Å; R469-S489 WeakPolarHBondContact O-CB 3.44Å
470	H	90.6	Very high	91.6	Very high	110 Å²	110	39.9 Å²	39.9	51%	0.509	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.3	177	-56.6	84.8	0	0	0	112.9	V407 T409 D468 F472	V407-H470 WeakPolarHBondContact CG1-CD2 3.35Å; T409-H470 PolarHBondContact OG1-O 3.21Å; D468-H470 VanDerWaalsContact C-N 3.26Å; D468-H470 PolarHBondContact O-N 2.94Å; D468-H470 IonicContact OD1-CG 2.72Å; D468-H470 PolarHBondContact OD1-N 2.95Å; D468-H470 IonicContact OD1-ND1 2.8Å; D468-H470 PolarHBondContact OD1-ND1 3.26Å; H470-F472 PolarHBondContact O-N 3.36Å
471	D	87.3	Confident	91.5	Very high	56 Å²	56	39.4 Å²	39.4	30%	0.299	23%	0.227	S	C	.	.			trans	-60	123.6	179	169.8	27.7	0	0	0	110.1	D468 A473 R487	D468-D471 HydrophobicContact CB-CB 4.28Å; D468-D471 PolarHBondContact O-N 3.21Å; D471-A473 VanDerWaalsContact C-N 3.33Å; D471-A473 PolarHBondContact O-N 3.45Å; D471-A473 PolarHBondContact OD1-N 3.29Å; D471-R487 VanDerWaalsContact CB-NH1 3.29Å; D471-R487 PolarHBondContact O-NH1 3.01Å; D471-R487 VanDerWaalsContact O-NH1 3.14Å; D471-R487 IonicContact OD2-CZ 3.81Å; D471-R487 IonicContact OD2-NH1 3.83Å; D471-R487 PolarHBondContact OD2-NH1 3.16Å; D471-R487 IonicContact OD2-NH2 2.81Å; D471-R487 PolarHBondContact OD2-NH2 3.45Å
472	F	89.2	Confident	91.5	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.235	C	C	.	.			trans	-66.7	-36.3	-175.3	-158.1	-82.7	0	0	0	111.1	Y350 T409 P413 H470 G474 P476 W482 V491 P493	Y350-F472 HydrophobicContact CE1-CB 4.38Å; Y350-F472 HydrophobicContact CE1-CD1 4.4Å; T409-F472 HydrophobicContact CG2-CD2 3.52Å; T409-F472 HydrophobicContact CG2-CE2 4.02Å; P413-F472 HydrophobicContact CB-CB 3.97Å; P413-F472 HydrophobicContact CB-CD2 4Å; P413-F472 HydrophobicContact CB-CG 4.26Å; P413-F472 VanDerWaalsContact CD-CD2 3.45Å; P413-F472 HydrophobicContact CG-CB 3.9Å; P413-F472 HydrophobicContact CG-CD2 3.94Å; P413-F472 HydrophobicContact CG-CG 3.95Å; H470-F472 PolarHBondContact O-N 3.36Å; F472-G474 WeakPolarHBondContact CD1-O 3.24Å; F472-G474 WeakPolarHBondContact CE1-O 3.47Å; F472-G474 PolarHBondContact O-N 3.37Å; F472-P476 HydrophobicContact CE1-CB 4.49Å; F472-P476 HydrophobicContact CE1-CG 4.12Å; F472-P476 HydrophobicContact CZ-CB 4.27Å; F472-P476 HydrophobicContact CZ-CG 4.18Å; F472-W482 HydrophobicContact CD1-CH2 4.31Å; F472-W482 AromaticContact CD1-CZ2 3.93Å; F472-W482 HydrophobicContact CD1-CZ2 3.93Å; F472-W482 AromaticContact CE1-CH2 3.95Å; F472-W482 HydrophobicContact CE1-CH2 3.95Å; F472-W482 AromaticContact CE1-CZ2 3.99Å; F472-W482 HydrophobicContact CE1-CZ2 3.99Å; F472-W482 WeakPolarHBondContact O-CZ2 3.49Å; F472-W482 PolarHBondContact O-NE1 3.06Å; F472-V491 HydrophobicContact CD1-CG1 3.79Å; F472-V491 HydrophobicContact CD2-CG1 3.73Å; F472-V491 HydrophobicContact CE1-CG1 3.73Å; F472-V491 HydrophobicContact CE2-CG1 3.61Å; F472-V491 HydrophobicContact CG-CG1 3.83Å; F472-V491 HydrophobicContact CZ-CG1 3.64Å; F472-P493 HydrophobicContact CE1-CG 4.28Å; F472-P493 HydrophobicContact CZ-CB 4.31Å; F472-P493 HydrophobicContact CZ-CG 4.27Å
473	A	83.5	Confident	91.5	Very high	59 Å²	59	39.8 Å²	39.8	49%	0.488	23%	0.225	S	C	.	.			trans	50	28.3	177.7	0	0	0	0	0	115.7	D471	D471-A473 VanDerWaalsContact C-N 3.33Å; D471-A473 PolarHBondContact O-N 3.45Å; D471-A473 PolarHBondContact OD1-N 3.29Å
474	G	86.4	Confident	91.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	-165	166.8	-173.7	0	0	0	0	0	113.1	E346 Y350 F472	E346-G474 VanDerWaalsContact OE1-C 3.28Å; E346-G474 WeakPolarHBondContact OE1-CA 3.12Å; E346-G474 WeakPolarHBondContact OE2-CA 3.43Å; Y350-G474 WeakPolarHBondContact CE1-O 3.37Å; F472-G474 WeakPolarHBondContact CD1-O 3.24Å; F472-G474 WeakPolarHBondContact CE1-O 3.47Å; F472-G474 PolarHBondContact O-N 3.37Å
475	S	91.3	Very high	91.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.			trans	-88.1	128.6	-179	172.1	0	0	0	0	109.2	T338 E346 G349 V477 I478	T338-S475 WeakPolarHBondContact O-CB 3.43Å; T338-S475 PolarHBondContact O-OG 3.12Å; E346-S475 PolarHBondContact OE1-N 2.86Å; E346-S475 PolarHBondContact OE2-N 3.03Å; G349-S475 WeakPolarHBondContact CA-OG 3.38Å; S475-V477 PolarHBondContact O-N 2.69Å; S475-V477 VanDerWaalsContact OG-CG2 3.26Å; S475-V477 WeakPolarHBondContact OG-CG2 3.44Å; S475-I478 PolarHBondContact O-N 3.13Å
476	P	93.2	Very high	91	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.1	-179.9	-28.4	36.1	0	0	0	114.9	Y350 I416 F472 P493 A494 G495	Y350-P476 HydrophobicContact CD1-CG 4.12Å; I416-P476 HydrophobicContact CG2-CG 4.4Å; F472-P476 HydrophobicContact CE1-CB 4.49Å; F472-P476 HydrophobicContact CE1-CG 4.12Å; F472-P476 HydrophobicContact CZ-CB 4.27Å; F472-P476 HydrophobicContact CZ-CG 4.18Å; P476-P493 WeakPolarHBondContact O-CB 3.43Å; P476-A494 CarbonylContact O-C 3.58Å; P476-A494 PolarHBondContact O-N 3.39Å; P476-G495 PolarHBondContact O-N 3.11Å
477	V	93.6	Very high	90.8	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.042	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.8	-176.6	-53.9	0	0	0	0	114.2	L51 T338 M352 F356 S475 G495	L51-V477 HydrophobicContact CD1-CB 4.25Å; L51-V477 HydrophobicContact CD1-CG2 4.08Å; T338-V477 HydrophobicContact CG2-CG2 3.41Å; T338-V477 VanDerWaalsContact CG2-CG2 3.41Å; M352-V477 HydrophobicContact CB-CG1 4.49Å; F356-V477 HydrophobicContact CB-CG1 3.4Å; F356-V477 HydrophobicContact CD1-CG1 4.03Å; F356-V477 HydrophobicContact CD2-CG1 4.07Å; F356-V477 HydrophobicContact CG-CB 4.36Å; F356-V477 HydrophobicContact CG-CG1 3.57Å; S475-V477 PolarHBondContact O-N 2.69Å; S475-V477 VanDerWaalsContact OG-CG2 3.26Å; S475-V477 WeakPolarHBondContact OG-CG2 3.44Å; V477-G495 WeakPolarHBondContact O-CA 3.4Å
478	I	90.3	Very high	91	Very high	16 Å²	16	30.9 Å²	30.9	8%	0.082	16%	0.164	C	C	.	.			trans	-69.5	138.8	-178.9	-72.7	173.3	0	0	0	109.8	E346 S475 N480 P493	E346-I478 VanDerWaalsContact OE1-CD1 3.23Å; E346-I478 WeakPolarHBondContact OE1-CD1 3.35Å; S475-I478 PolarHBondContact O-N 3.13Å; I478-N480 VanDerWaalsContact C-N 3.33Å; I478-N480 HydrophobicContact CG2-CB 3.59Å; I478-N480 PolarHBondContact O-N 2.89Å; I478-P493 WeakPolarHBondContact O-CB 3.13Å
479	V	92.9	Very high	91.3	Very high	10 Å²	10	27.1 Å²	27.1	6%	0.061	14%	0.144	C	C	.	.	S	Bend	trans	-86.8	78.8	171.5	-169.8	0	0	0	0	108.4	V40 L43 A44 N47 I496 F501	V40-V479 HydrophobicContact CG1-CB 4.3Å; V40-V479 HydrophobicContact CG1-CG1 3.92Å; L43-V479 HydrophobicContact CB-CG1 4.32Å; L43-V479 HydrophobicContact CB-CG2 4.37Å; L43-V479 HydrophobicContact CD2-CG1 3.82Å; L43-V479 HydrophobicContact CD2-CG2 4.26Å; L43-V479 HydrophobicContact CG-CG1 4.19Å; L43-V479 HydrophobicContact CG-CG2 3.92Å; A44-V479 HydrophobicContact CB-CB 4.43Å; A44-V479 HydrophobicContact CB-CG2 4.01Å; N47-V479 VanDerWaalsContact ND2-CG2 3.33Å; N47-V479 WeakPolarHBondContact ND2-CG2 3.11Å; V479-I496 HydrophobicContact CG1-CB 4.24Å; V479-I496 HydrophobicContact CG1-CG1 4.09Å; V479-F501 HydrophobicContact CG1-CE2 4.31Å
480	N	91.9	Very high	91.5	Very high	74 Å²	74	24.8 Å²	24.8	40%	0.396	14%	0.135	S	C	.	.			trans	-161	179	176.6	-153.5	-2.8	0	0	0	110	I478 P493 I496	I478-N480 VanDerWaalsContact C-N 3.33Å; I478-N480 HydrophobicContact CG2-CB 3.59Å; I478-N480 PolarHBondContact O-N 2.89Å; N480-P493 WeakPolarHBondContact O-CD 3.33Å; N480-I496 WeakPolarHBondContact O-CG2 3.47Å
481	A	93.9	Very high	91.7	Very high	5 Å²	5	19.6 Å²	19.6	4%	0.041	11%	0.111	C	C	.	.			trans	-141.2	165.5	165.8	0	0	0	0	0	109.1	L492 V518 E522	A481-L492 HydrophobicContact CB-CD2 3.91Å; A481-V518 HydrophobicContact CB-CG1 3.79Å; A481-E522 HydrophobicContact CB-CG 3.78Å
482	W	92.9	Very high	92.1	Very high	55 Å²	55	16.9 Å²	16.9	21%	0.208	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	154	174.7	55.4	92.3	0	0	0	113.9	F472 I490 V491 P493 E522	F472-W482 HydrophobicContact CD1-CH2 4.31Å; F472-W482 AromaticContact CD1-CZ2 3.93Å; F472-W482 HydrophobicContact CD1-CZ2 3.93Å; F472-W482 AromaticContact CE1-CH2 3.95Å; F472-W482 HydrophobicContact CE1-CH2 3.95Å; F472-W482 AromaticContact CE1-CZ2 3.99Å; F472-W482 HydrophobicContact CE1-CZ2 3.99Å; F472-W482 WeakPolarHBondContact O-CZ2 3.49Å; F472-W482 PolarHBondContact O-NE1 3.06Å; W482-I490 CarbonylContact O-C 3.17Å; W482-I490 WeakPolarHBondContact O-CA 3.37Å; W482-V491 HydrophobicContact CD2-CB 4.15Å; W482-V491 HydrophobicContact CG-CB 4.42Å; W482-V491 HydrophobicContact CH2-CG1 4.08Å; W482-V491 HydrophobicContact CZ2-CB 3.77Å; W482-V491 HydrophobicContact CZ2-CG1 3.41Å; W482-V491 VanDerWaalsContact CZ2-CG1 3.41Å; W482-V491 HydrophobicContact CZ2-CG2 4.41Å; W482-V491 PolarHBondContact N-O 2.79Å; W482-V491 PolarHBondContact O-N 3.18Å; W482-P493 HydrophobicContact CE3-CG 4.4Å; W482-P493 HydrophobicContact CH2-CG 3.4Å; W482-P493 VanDerWaalsContact CH2-CG 3.4Å; W482-P493 HydrophobicContact CZ2-CG 4.42Å; W482-P493 HydrophobicContact CZ3-CG 3.39Å; W482-E522 WeakPolarHBondContact CA-OE2 3.48Å
483	Y	94.8	Very high	92.4	Very high	24 Å²	24	16.9 Å²	16.9	9%	0.094	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.2	166.9	171.9	-103.1	0	0	0	111.5	M406 P485 N488 S489 I490 E522 H525 G526	M406-Y483 HydrophobicContact CE-CD2 4.46Å; M406-Y483 HydrophobicContact CE-CE2 4Å; Y483-P485 HydrophobicContact CD1-CG 4.02Å; Y483-P485 VanDerWaalsContact CE1-CA 3.43Å; Y483-P485 HydrophobicContact CE1-CB 3.86Å; Y483-P485 HydrophobicContact CE1-CG 3.67Å; Y483-N488 PolarHBondContact OH-OD1 3.46Å; Y483-S489 WeakPolarHBondContact CA-O 3.42Å; Y483-S489 WeakPolarHBondContact CD2-O 3.23Å; Y483-I490 HydrophobicContact CD2-CG2 3.86Å; Y483-E522 WeakPolarHBondContact CB-O 3.29Å; Y483-E522 PolarHBondContact N-OE2 2.67Å; Y483-H525 HydrophobicContact CD1-CB 3.55Å; Y483-H525 HydrophobicContact CE1-CB 4.38Å; Y483-H525 HydrophobicContact CG-CB 3.82Å; Y483-G526 WeakPolarHBondContact OH-CA 3.23Å
484	A	92	Very high	92.9	Very high	23 Å²	23	14 Å²	14	19%	0.19	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.9	174	0	0	0	0	0	110.9	S486 R487 N488 S489	A484-S486 PolarHBondContact O-N 3.46Å; A484-R487 HydrophobicContact CB-CB 4.09Å; A484-R487 HydrophobicContact CB-CG 4.46Å; A484-R487 CarbonylContact O-C 3.24Å; A484-R487 PolarHBondContact O-N 2.9Å; A484-R487 VanDerWaalsContact O-N 3.13Å; A484-N488 PolarHBondContact O-N 2.96Å; A484-S489 PolarHBondContact N-O 2.95Å; A484-S489 PolarHBondContact O-N 2.87Å
485	P	92.1	Very high	93.3	Very high	12 Å²	12	14 Å²	14	8%	0.078	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-59	-45.2	-175.9	-23.8	31	0	0	0	114.6	Y483 R487 N488 R530 Y534 G538	Y483-P485 HydrophobicContact CD1-CG 4.02Å; Y483-P485 VanDerWaalsContact CE1-CA 3.43Å; Y483-P485 HydrophobicContact CE1-CB 3.86Å; Y483-P485 HydrophobicContact CE1-CG 3.67Å; P485-R487 PolarHBondContact O-N 3.15Å; P485-N488 PolarHBondContact O-N 3.09Å; P485-N488 VanDerWaalsContact O-N 3.16Å; P485-R530 HydrophobicContact CG-CG 4.26Å; P485-Y534 HydrophobicContact CB-CD1 4.34Å; P485-Y534 HydrophobicContact CB-CD2 3.54Å; P485-Y534 HydrophobicContact CB-CE1 4.35Å; P485-Y534 HydrophobicContact CB-CE2 3.54Å; P485-Y534 HydrophobicContact CB-CG 3.95Å; P485-Y534 HydrophobicContact CG-CE2 4.43Å; P485-G538 WeakPolarHBondContact O-CA 3.23Å
486	S	89.7	Confident	93.5	Very high	25 Å²	25	14.3 Å²	14.3	18%	0.175	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-72.4	-7	-179.1	56.5	0	0	0	0	114	A144 A484 G538	A144-S486 VanDerWaalsContact CB-O 3.31Å; A144-S486 WeakPolarHBondContact CB-O 3.46Å; A484-S486 PolarHBondContact O-N 3.46Å; S486-G538 WeakPolarHBondContact CA-O 3.48Å
487	R	90.5	Very high	93.6	Very high	40 Å²	40	14.6 Å²	14.6	15%	0.151	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-112.1	-9.8	173.2	-66.6	178.7	-178.8	174.9	-4	112.5	D468 R469 D471 A484 P485 S489	D468-R487 WeakPolarHBondContact O-CD 3.22Å; D468-R487 PolarHBondContact O-NE 2.76Å; R469-R487 HydrophobicContact CB-CB 4.35Å; R469-R487 HydrophobicContact CG-CB 4.37Å; R469-R487 PolarHBondContact NE-O 2.84Å; R469-R487 PolarHBondContact NH2-O 3.46Å; D471-R487 VanDerWaalsContact CB-NH1 3.29Å; D471-R487 PolarHBondContact O-NH1 3.01Å; D471-R487 VanDerWaalsContact O-NH1 3.14Å; D471-R487 IonicContact OD2-CZ 3.81Å; D471-R487 IonicContact OD2-NH1 3.83Å; D471-R487 PolarHBondContact OD2-NH1 3.16Å; D471-R487 IonicContact OD2-NH2 2.81Å; D471-R487 PolarHBondContact OD2-NH2 3.45Å; A484-R487 HydrophobicContact CB-CB 4.09Å; A484-R487 HydrophobicContact CB-CG 4.46Å; A484-R487 CarbonylContact O-C 3.24Å; A484-R487 PolarHBondContact O-N 2.9Å; A484-R487 VanDerWaalsContact O-N 3.13Å; P485-R487 PolarHBondContact O-N 3.15Å; R487-S489 VanDerWaalsContact CB-OG 3.29Å; R487-S489 WeakPolarHBondContact CB-OG 3.31Å; R487-S489 PolarHBondContact O-N 3.41Å
488	N	94.9	Very high	93.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.3	56.8	-166.9	-174.8	30.5	0	0	0	110.4	K402 M406 V407 R469 Y483 A484 P485 S536	K402-N488 PolarHBondContact O-ND2 2.88Å; K402-N488 VanDerWaalsContact O-ND2 3.12Å; M406-N488 WeakPolarHBondContact CA-O 3.42Å; M406-N488 PolarHBondContact N-ND2 3.18Å; V407-N488 PolarHBondContact N-O 3.15Å; R469-N488 PolarHBondContact NH2-O 2.98Å; Y483-N488 PolarHBondContact OH-OD1 3.46Å; A484-N488 PolarHBondContact O-N 2.96Å; P485-N488 PolarHBondContact O-N 3.09Å; P485-N488 VanDerWaalsContact O-N 3.16Å; N488-S536 PolarHBondContact ND2-O 3.12Å
489	S	94.8	Very high	93.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139	-172.5	66	0	0	0	0	111.8	V407 R469 Y483 A484 R487	V407-S489 CarbonylContact O-C 3.52Å; V407-S489 VanDerWaalsContact O-CA 3.25Å; V407-S489 WeakPolarHBondContact O-CA 3.42Å; R469-S489 VanDerWaalsContact O-CB 3.3Å; R469-S489 WeakPolarHBondContact O-CB 3.44Å; Y483-S489 WeakPolarHBondContact CA-O 3.42Å; Y483-S489 WeakPolarHBondContact CD2-O 3.23Å; A484-S489 PolarHBondContact N-O 2.95Å; A484-S489 PolarHBondContact O-N 2.87Å; R487-S489 VanDerWaalsContact CB-OG 3.29Å; R487-S489 WeakPolarHBondContact CB-OG 3.31Å; R487-S489 PolarHBondContact O-N 3.41Å
490	I	95.8	Very high	93.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.8	169	63.3	174.4	0	0	0	110	V374 M406 V407 S408 T409 W482 Y483 I519 E522 M523	V374-I490 HydrophobicContact CG1-CD1 4.43Å; M406-I490 HydrophobicContact CG-CG2 4.48Å; M406-I490 HydrophobicContact SD-CG2 3.82Å; V407-I490 PolarHBondContact O-N 3.42Å; S408-I490 WeakPolarHBondContact CA-O 3.41Å; T409-I490 PolarHBondContact N-O 3.35Å; W482-I490 CarbonylContact O-C 3.17Å; W482-I490 WeakPolarHBondContact O-CA 3.37Å; Y483-I490 HydrophobicContact CD2-CG2 3.86Å; I490-I519 HydrophobicContact CD1-CG2 4.11Å; I490-E522 HydrophobicContact CB-CB 4.13Å; I490-E522 HydrophobicContact CG2-CB 3.67Å; I490-M523 HydrophobicContact CD1-CE 3.83Å; I490-M523 HydrophobicContact CD1-CG 4.11Å
491	V	95.1	Very high	93.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.7	178.1	-176.7	0	0	0	0	109.9	T409 F472 W482	T409-V491 WeakPolarHBondContact O-CA 3.45Å; F472-V491 HydrophobicContact CD1-CG1 3.79Å; F472-V491 HydrophobicContact CD2-CG1 3.73Å; F472-V491 HydrophobicContact CE1-CG1 3.73Å; F472-V491 HydrophobicContact CE2-CG1 3.61Å; F472-V491 HydrophobicContact CG-CG1 3.83Å; F472-V491 HydrophobicContact CZ-CG1 3.64Å; W482-V491 HydrophobicContact CD2-CB 4.15Å; W482-V491 HydrophobicContact CG-CB 4.42Å; W482-V491 HydrophobicContact CH2-CG1 4.08Å; W482-V491 HydrophobicContact CZ2-CB 3.77Å; W482-V491 HydrophobicContact CZ2-CG1 3.41Å; W482-V491 VanDerWaalsContact CZ2-CG1 3.41Å; W482-V491 HydrophobicContact CZ2-CG2 4.41Å; W482-V491 PolarHBondContact N-O 2.79Å; W482-V491 PolarHBondContact O-N 3.18Å
492	L	95.5	Very high	93.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	88.8	-176.3	-58.4	172.6	0	0	0	109.7	V370 V374 T409 V410 G411 A481 I519	V370-L492 HydrophobicContact CG1-CD1 3.91Å; V374-L492 HydrophobicContact CG2-CD1 4.01Å; T409-L492 PolarHBondContact O-N 3.24Å; V410-L492 HydrophobicContact CG2-CD1 4.19Å; G411-L492 WeakPolarHBondContact CA-O 3.3Å; G411-L492 PolarHBondContact N-O 3.03Å; A481-L492 HydrophobicContact CB-CD2 3.91Å; L492-I519 HydrophobicContact CD1-CD1 3.76Å; L492-I519 HydrophobicContact CD1-CG1 3.58Å; L492-I519 HydrophobicContact CD2-CG1 3.82Å; L492-I519 HydrophobicContact CG-CG1 4.37Å
493	P	94.5	Very high	93.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56	146.3	178.4	-25.5	33.3	0	0	0	115.1	G411 F472 P476 I478 N480 W482 G495 I496 L497	G411-P493 CarbonylContact O-C 3.58Å; F472-P493 HydrophobicContact CE1-CG 4.28Å; F472-P493 HydrophobicContact CZ-CB 4.31Å; F472-P493 HydrophobicContact CZ-CG 4.27Å; P476-P493 WeakPolarHBondContact O-CB 3.43Å; I478-P493 WeakPolarHBondContact O-CB 3.13Å; N480-P493 WeakPolarHBondContact O-CD 3.33Å; W482-P493 HydrophobicContact CE3-CG 4.4Å; W482-P493 HydrophobicContact CH2-CG 3.4Å; W482-P493 VanDerWaalsContact CH2-CG 3.4Å; W482-P493 HydrophobicContact CZ2-CG 4.42Å; W482-P493 HydrophobicContact CZ3-CG 3.39Å; P493-G495 PolarHBondContact O-N 2.91Å; P493-G495 VanDerWaalsContact O-N 3.13Å; P493-I496 VanDerWaalsContact O-CG2 3.29Å; P493-I496 WeakPolarHBondContact O-CG2 3.42Å; P493-I496 PolarHBondContact O-N 2.77Å; P493-L497 WeakPolarHBondContact O-CG 3.36Å; P493-L497 PolarHBondContact O-N 3.37Å
494	A	95.5	Very high	93.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.4	172.8	0	0	0	0	0	112.2	F356 V357 F362 G411 P476 I496 L497	F356-A494 HydrophobicContact CD1-CB 4.39Å; F356-A494 HydrophobicContact CE1-CB 4.28Å; V357-A494 HydrophobicContact CG2-CB 4.1Å; F362-A494 HydrophobicContact CD1-CB 4.35Å; F362-A494 HydrophobicContact CD2-CB 4.27Å; F362-A494 HydrophobicContact CE2-CB 4.44Å; F362-A494 HydrophobicContact CG-CB 4.23Å; G411-A494 PolarHBondContact O-N 3.48Å; P476-A494 CarbonylContact O-C 3.58Å; P476-A494 PolarHBondContact O-N 3.39Å; A494-I496 VanDerWaalsContact C-N 3.34Å; A494-I496 PolarHBondContact O-N 2.67Å; A494-L497 PolarHBondContact O-N 3.27Å
495	G	94.5	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-38.1	176.6	0	0	0	0	0	114.4	N47 P476 V477 P493 Q498	N47-G495 PolarHBondContact ND2-O 3.25Å; P476-G495 PolarHBondContact O-N 3.11Å; V477-G495 WeakPolarHBondContact O-CA 3.4Å; P493-G495 PolarHBondContact O-N 2.91Å; P493-G495 VanDerWaalsContact O-N 3.13Å; G495-Q498 PolarHBondContact O-NE2 3.25Å
496	I	94.2	Very high	93.4	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.036	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-21.1	177.2	-164.4	165.9	0	0	0	113	V479 N480 P493 A494 Q498 F501 I515 V518	V479-I496 HydrophobicContact CG1-CB 4.24Å; V479-I496 HydrophobicContact CG1-CG1 4.09Å; N480-I496 WeakPolarHBondContact O-CG2 3.47Å; P493-I496 VanDerWaalsContact O-CG2 3.29Å; P493-I496 WeakPolarHBondContact O-CG2 3.42Å; P493-I496 PolarHBondContact O-N 2.77Å; A494-I496 VanDerWaalsContact C-N 3.34Å; A494-I496 PolarHBondContact O-N 2.67Å; I496-Q498 PolarHBondContact O-N 2.88Å; I496-F501 HydrophobicContact CD1-CD1 4.31Å; I496-F501 HydrophobicContact CD1-CE1 4.42Å; I496-F501 HydrophobicContact CG1-CB 4.41Å; I496-F501 HydrophobicContact CG1-CD1 4.12Å; I496-F501 HydrophobicContact CG1-CD2 4.24Å; I496-F501 HydrophobicContact CG1-CE1 4.49Å; I496-F501 HydrophobicContact CG1-CG 3.99Å; I496-F501 WeakPolarHBondContact O-CB 3.39Å; I496-I515 HydrophobicContact CG1-CD1 4.44Å; I496-I515 HydrophobicContact CG2-CD1 4.31Å; I496-V518 HydrophobicContact CD1-CG1 4.35Å
497	L	95.8	Very high	93.6	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.031	14%	0.14	C	C	.	.	S	Bend	trans	-80.4	56.2	-177.8	-60.6	176.8	0	0	0	112.1	F362 V370 V410 P493 A494 Y502 I515	F362-L497 HydrophobicContact CE2-CB 3.66Å; F362-L497 HydrophobicContact CE2-CD1 4.04Å; F362-L497 HydrophobicContact CZ-CB 4.15Å; F362-L497 HydrophobicContact CZ-CD1 3.62Å; V370-L497 HydrophobicContact CG1-CD1 4.39Å; V370-L497 HydrophobicContact CG1-CD2 4.17Å; V370-L497 HydrophobicContact CG2-CD1 4.29Å; V370-L497 HydrophobicContact CG2-CD2 4.03Å; V410-L497 HydrophobicContact CG1-CD1 3.85Å; P493-L497 WeakPolarHBondContact O-CG 3.36Å; P493-L497 PolarHBondContact O-N 3.37Å; A494-L497 PolarHBondContact O-N 3.27Å; L497-Y502 HydrophobicContact CB-CD1 4.34Å; L497-I515 HydrophobicContact CD2-CD1 3.73Å; L497-I515 HydrophobicContact CD2-CG1 3.74Å
498	Q	93.3	Very high	93.9	Very high	24 Å²	24	25.5 Å²	25.5	11%	0.112	14%	0.144	C	C	.	.	S	Bend	trans	-142.9	161.9	-179.2	-66.3	178.3	96.9	0	0	110	L43 N47 G495 I496 F501 Y502	L43-Q498 HydrophobicContact CD1-CB 4.1Å; L43-Q498 HydrophobicContact CD2-CB 4.21Å; N47-Q498 PolarHBondContact ND2-NE2 3.39Å; N47-Q498 PolarHBondContact OD1-NE2 3.2Å; G495-Q498 PolarHBondContact O-NE2 3.25Å; I496-Q498 PolarHBondContact O-N 2.88Å; Q498-F501 WeakPolarHBondContact O-CA 3.42Å; Q498-F501 WeakPolarHBondContact O-CB 3.32Å; Q498-F501 PolarHBondContact O-N 3.01Å; Q498-Y502 CarbonylContact C-O 3Å; Q498-Y502 WeakPolarHBondContact CA-O 3.41Å; Q498-Y502 PolarHBondContact O-N 3.42Å
499	P	92.2	Very high	93.9	Very high	63 Å²	63	25.5 Å²	25.5	41%	0.409	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	139.5	169.7	-27.4	34.6	0	0	0	111.9	Y502 D503 F506	P499-Y502 VanDerWaalsContact CD-O 3.29Å; P499-Y502 WeakPolarHBondContact CD-O 3.43Å; P499-Y502 VanDerWaalsContact N-O 3.07Å; P499-D503 HydrophobicContact CG-CB 4.16Å; P499-F506 HydrophobicContact CB-CE2 4.19Å; P499-F506 HydrophobicContact CB-CZ 3.96Å; P499-F506 HydrophobicContact CG-CE2 4.39Å; P499-F506 HydrophobicContact CG-CZ 4.05Å
500	P	89.2	Confident	94	Very high	60 Å²	60	26.4 Å²	26.4	39%	0.39	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.6	-0.8	5.4	35.7	-37	0	0	0	114.7
501	F	92.7	Very high	94.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-41.9	-173.8	-63.3	-91	0	0	0	112.7	V40 L43 V479 I496 Q498 C514 I515 F650	V40-F501 HydrophobicContact CG2-CE1 4.39Å; V40-F501 HydrophobicContact CG2-CZ 3.75Å; L43-F501 HydrophobicContact CB-CE2 4.46Å; L43-F501 HydrophobicContact CD2-CD2 3.56Å; L43-F501 HydrophobicContact CD2-CE2 3.69Å; V479-F501 HydrophobicContact CG1-CE2 4.31Å; I496-F501 HydrophobicContact CD1-CD1 4.31Å; I496-F501 HydrophobicContact CD1-CE1 4.42Å; I496-F501 HydrophobicContact CG1-CB 4.41Å; I496-F501 HydrophobicContact CG1-CD1 4.12Å; I496-F501 HydrophobicContact CG1-CD2 4.24Å; I496-F501 HydrophobicContact CG1-CE1 4.49Å; I496-F501 HydrophobicContact CG1-CG 3.99Å; I496-F501 WeakPolarHBondContact O-CB 3.39Å; Q498-F501 WeakPolarHBondContact O-CA 3.42Å; Q498-F501 WeakPolarHBondContact O-CB 3.32Å; Q498-F501 PolarHBondContact O-N 3.01Å; F501-C514 WeakPolarHBondContact O-CB 3.45Å; F501-I515 HydrophobicContact CB-CB 4.49Å; F501-I515 VanDerWaalsContact O-CB 3.29Å; F501-I515 WeakPolarHBondContact O-CB 3.5Å; F501-I515 WeakPolarHBondContact O-CG2 3.4Å; F501-I515 PolarHBondContact O-N 3.05Å; F501-I515 VanDerWaalsContact O-N 3.16Å; F501-F650 HydrophobicContact CD1-CB 4.21Å; F501-F650 HydrophobicContact CD1-CG 4.48Å; F501-F650 HydrophobicContact CE1-CB 3.75Å; F501-F650 AromaticContact CE1-CD2 3.88Å; F501-F650 HydrophobicContact CE1-CD2 3.88Å; F501-F650 HydrophobicContact CE1-CG 4.06Å; F501-F650 HydrophobicContact CZ-CB 4.3Å
502	Y	95	Very high	94.2	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.02	15%	0.153	C	C	.	.			trans	-150.6	135.8	-176.6	173.7	-103	0	0	0	111.8	D369 V370 M373 L497 Q498 P499 I515	D369-Y502 WeakPolarHBondContact CB-OH 3.3Å; D369-Y502 WeakPolarHBondContact OD2-CE2 3.14Å; D369-Y502 PolarHBondContact OD2-OH 2.93Å; V370-Y502 HydrophobicContact CG2-CD1 4.27Å; V370-Y502 HydrophobicContact CG2-CD2 4.23Å; V370-Y502 HydrophobicContact CG2-CE1 3.96Å; V370-Y502 HydrophobicContact CG2-CE2 3.92Å; V370-Y502 HydrophobicContact CG2-CG 4.4Å; M373-Y502 HydrophobicContact CE-CD2 4.08Å; M373-Y502 HydrophobicContact CE-CE2 4.06Å; L497-Y502 HydrophobicContact CB-CD1 4.34Å; Q498-Y502 CarbonylContact C-O 3Å; Q498-Y502 WeakPolarHBondContact CA-O 3.41Å; Q498-Y502 PolarHBondContact O-N 3.42Å; P499-Y502 VanDerWaalsContact CD-O 3.29Å; P499-Y502 WeakPolarHBondContact CD-O 3.43Å; P499-Y502 VanDerWaalsContact N-O 3.07Å; Y502-I515 HydrophobicContact CD2-CG2 3.9Å; Y502-I515 HydrophobicContact CG-CG2 4.27Å
503	D	92.9	Very high	94.3	Very high	43 Å²	43	27.1 Å²	27.1	23%	0.23	15%	0.153	C	C	.	.			trans	-147.9	139.6	160.6	-166.5	-71.3	0	0	0	108.7	P499 T505 F506 N511	P499-D503 HydrophobicContact CG-CB 4.16Å; D503-T505 PolarHBondContact O-N 2.89Å; D503-T505 VanDerWaalsContact O-N 3.09Å; D503-T505 VanDerWaalsContact OD1-CB 3.29Å; D503-T505 WeakPolarHBondContact OD1-CB 3.3Å; D503-T505 WeakPolarHBondContact OD1-CG2 3.11Å; D503-T505 PolarHBondContact OD1-N 2.88Å; D503-T505 PolarHBondContact OD1-OG1 3.05Å; D503-F506 HydrophobicContact CB-CB 4.35Å; D503-F506 HydrophobicContact CB-CD1 3.65Å; D503-F506 HydrophobicContact CB-CD2 3.64Å; D503-F506 HydrophobicContact CB-CE1 3.73Å; D503-F506 HydrophobicContact CB-CE2 3.72Å; D503-F506 HydrophobicContact CB-CG 3.61Å; D503-F506 HydrophobicContact CB-CZ 3.77Å; D503-F506 PolarHBondContact O-N 3.21Å; D503-N511 PolarHBondContact N-OD1 3.44Å; D503-N511 PolarHBondContact O-ND2 2.84Å; D503-N511 PolarHBondContact O-OD1 3.22Å
504	K	90.4	Very high	94.4	Very high	93 Å²	93	27.3 Å²	27.3	40%	0.404	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.5	178.5	65.8	-176.8	178.6	-175.2	0	113.5	D363 E365	D363-K504 IonicContact OD2-NZ 2.89Å; D363-K504 PolarHBondContact OD2-NZ 2.88Å; E365-K504 IonicContact OE2-NZ 2.75Å; E365-K504 PolarHBondContact OE2-NZ 3.34Å
505	T	90.9	Very high	94.4	Very high	110 Å²	110	27.3 Å²	27.3	68%	0.675	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-11.4	178.3	68.1	0	0	0	0	113.8	D503	D503-T505 PolarHBondContact O-N 2.89Å; D503-T505 VanDerWaalsContact O-N 3.09Å; D503-T505 VanDerWaalsContact OD1-CB 3.29Å; D503-T505 WeakPolarHBondContact OD1-CB 3.3Å; D503-T505 WeakPolarHBondContact OD1-CG2 3.11Å; D503-T505 PolarHBondContact OD1-N 2.88Å; D503-T505 PolarHBondContact OD1-OG1 3.05Å
506	F	93.5	Very high	94.6	Very high	67 Å²	67	27.3 Å²	27.3	29%	0.294	15%	0.154	S	C	.	.	S	Bend	trans	-73.9	147.2	179.8	-70.9	-5.9	0	0	0	112	P499 D503 V510 N511	P499-F506 HydrophobicContact CB-CE2 4.19Å; P499-F506 HydrophobicContact CB-CZ 3.96Å; P499-F506 HydrophobicContact CG-CE2 4.39Å; P499-F506 HydrophobicContact CG-CZ 4.05Å; D503-F506 HydrophobicContact CB-CB 4.35Å; D503-F506 HydrophobicContact CB-CD1 3.65Å; D503-F506 HydrophobicContact CB-CD2 3.64Å; D503-F506 HydrophobicContact CB-CE1 3.73Å; D503-F506 HydrophobicContact CB-CE2 3.72Å; D503-F506 HydrophobicContact CB-CG 3.61Å; D503-F506 HydrophobicContact CB-CZ 3.77Å; D503-F506 PolarHBondContact O-N 3.21Å; F506-V510 HydrophobicContact CB-CB 4.28Å; F506-V510 HydrophobicContact CB-CG1 4.37Å; F506-V510 HydrophobicContact CD2-CG1 3.85Å; F506-V510 HydrophobicContact CG-CG1 4.35Å; F506-N511 PolarHBondContact O-ND2 3.05Å
507	P	94.9	Very high	94.8	Very high	26 Å²	26	27.2 Å²	27.2	17%	0.169	15%	0.154	C	C	.	.			trans	-57.8	148.9	172.3	-24	33.9	0	0	0	111.8	A509 V510 N511 L631 M639	P507-A509 PolarHBondContact O-N 3.02Å; P507-A509 VanDerWaalsContact O-N 3.1Å; P507-V510 PolarHBondContact O-N 3.4Å; P507-N511 PolarHBondContact O-N 3.03Å; P507-L631 HydrophobicContact CG-CD2 3.63Å; P507-L631 HydrophobicContact CG-CG 4.26Å; P507-M639 HydrophobicContact CB-CE 3.73Å; P507-M639 HydrophobicContact CG-CE 4.26Å
508	A	95.6	Very high	94.9	Very high	27 Å²	27	27.8 Å²	27.8	22%	0.223	16%	0.157	C	C	.	.	H	α-helix	trans	-53.1	-37	179.4	0	0	0	0	0	112.7	V510 N511 F512 Y619 L622 T623	A508-V510 VanDerWaalsContact C-N 3.27Å; A508-V510 PolarHBondContact O-N 2.97Å; A508-N511 PolarHBondContact O-N 3.36Å; A508-F512 HydrophobicContact CB-CD2 4.23Å; A508-F512 WeakPolarHBondContact O-CB 3.4Å; A508-F512 VanDerWaalsContact O-CD2 3.31Å; A508-F512 WeakPolarHBondContact O-CD2 3.44Å; A508-F512 PolarHBondContact O-N 2.87Å; A508-Y619 HydrophobicContact CB-CD2 4.11Å; A508-L622 HydrophobicContact CB-CD2 4.11Å; A508-T623 HydrophobicContact CB-CG2 4.1Å
509	A	96.7	Very high	95.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-38.3	176.6	0	0	0	0	0	113.1	P507 G513 Y619 M639 I642 F643	P507-A509 PolarHBondContact O-N 3.02Å; P507-A509 VanDerWaalsContact O-N 3.1Å; A509-G513 WeakPolarHBondContact O-CA 3.31Å; A509-G513 PolarHBondContact O-N 2.04Å; A509-Y619 HydrophobicContact CB-CD2 4.42Å; A509-Y619 HydrophobicContact CB-CE2 3.75Å; A509-M639 HydrophobicContact CB-CB 4.21Å; A509-M639 HydrophobicContact CB-CE 3.79Å; A509-M639 VanDerWaalsContact CB-O 3.31Å; A509-M639 WeakPolarHBondContact CB-O 3.12Å; A509-I642 HydrophobicContact CB-CB 4.44Å; A509-I642 HydrophobicContact CB-CG2 4.2Å; A509-F643 HydrophobicContact CB-CB 4.31Å; A509-F643 WeakPolarHBondContact O-CA 3.35Å
510	V	96.2	Very high	95.4	Very high	20 Å²	20	23.6 Å²	23.6	12%	0.121	13%	0.132	C	C	.	.	H	α-helix	trans	-74.8	-52.3	179.5	-179.9	0	0	0	0	110.2	F506 P507 A508 F512 G513 C514 L631 I642	F506-V510 HydrophobicContact CB-CB 4.28Å; F506-V510 HydrophobicContact CB-CG1 4.37Å; F506-V510 HydrophobicContact CD2-CG1 3.85Å; F506-V510 HydrophobicContact CG-CG1 4.35Å; P507-V510 PolarHBondContact O-N 3.4Å; A508-V510 VanDerWaalsContact C-N 3.27Å; A508-V510 PolarHBondContact O-N 2.97Å; V510-F512 PolarHBondContact O-N 2.92Å; V510-G513 PolarHBondContact O-N 2.8Å; V510-G513 VanDerWaalsContact O-N 3.15Å; V510-C514 PolarHBondContact O-N 3.1Å; V510-L631 HydrophobicContact CG2-CD1 4.14Å; V510-I642 HydrophobicContact CG2-CG2 3.76Å
511	N	97	Very high	95.8	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-59.5	-45.5	-179.5	-81.5	-20.6	0	0	0	112.1	M373 D503 F506 P507 A508 C514 I515 G516	M373-N511 HydrophobicContact CE-CB 4.12Å; D503-N511 PolarHBondContact N-OD1 3.44Å; D503-N511 PolarHBondContact O-ND2 2.84Å; D503-N511 PolarHBondContact O-OD1 3.22Å; F506-N511 PolarHBondContact O-ND2 3.05Å; P507-N511 PolarHBondContact O-N 3.03Å; A508-N511 PolarHBondContact O-N 3.36Å; N511-C514 CarbonylContact O-C 3.57Å; N511-I515 VanDerWaalsContact O-CG2 3.23Å; N511-I515 WeakPolarHBondContact O-CG2 3.25Å; N511-I515 PolarHBondContact O-N 3.48Å; N511-G516 PolarHBondContact O-N 3.43Å
512	F	97.7	Very high	96	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.035	12%	0.118	C	C	.	.	I	π-helix	trans	-72	-36	175.7	-78.6	-92.4	0	0	0	111.7	M373 E376 L377 A508 V510 C514 G516 S517 S615 A618 L622 F643	M373-F512 HydrophobicContact CG-CD1 4.43Å; M373-F512 HydrophobicContact CG-CE1 3.78Å; M373-F512 HydrophobicContact CG-CE2 4.35Å; M373-F512 HydrophobicContact CG-CZ 3.75Å; E376-F512 HydrophobicContact CB-CZ 4.46Å; L377-F512 HydrophobicContact CD2-CD1 4.46Å; L377-F512 HydrophobicContact CD2-CE1 4.44Å; L377-F512 HydrophobicContact CG-CE1 4.41Å; A508-F512 HydrophobicContact CB-CD2 4.23Å; A508-F512 WeakPolarHBondContact O-CB 3.4Å; A508-F512 VanDerWaalsContact O-CD2 3.31Å; A508-F512 WeakPolarHBondContact O-CD2 3.44Å; A508-F512 PolarHBondContact O-N 2.87Å; V510-F512 PolarHBondContact O-N 2.92Å; F512-C514 VanDerWaalsContact C-N 3.28Å; F512-C514 PolarHBondContact O-N 2.86Å; F512-G516 CarbonylContact O-C 3.54Å; F512-G516 WeakPolarHBondContact O-CA 3.36Å; F512-S517 PolarHBondContact O-N 2.71Å; F512-S517 PolarHBondContact O-OG 2.75Å; F512-S615 VanDerWaalsContact C-OG 3.26Å; F512-S615 WeakPolarHBondContact CB-OG 3.27Å; F512-S615 PolarHBondContact O-OG 2.91Å; F512-A618 HydrophobicContact CD1-CB 3.92Å; F512-A618 HydrophobicContact CE1-CB 3.48Å; F512-A618 VanDerWaalsContact CE1-CB 3.48Å; F512-A618 HydrophobicContact CZ-CB 4.4Å; F512-L622 HydrophobicContact CD2-CD2 4.42Å; F512-L622 HydrophobicContact CE2-CD2 3.48Å; F512-L622 VanDerWaalsContact CE2-CD2 3.48Å; F512-L622 HydrophobicContact CZ-CD2 3.99Å; F512-F643 HydrophobicContact CB-CD2 4.24Å; F512-F643 HydrophobicContact CB-CE2 3.94Å
513	G	97.1	Very high	96.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	I	π-helix	trans	-59.2	-38.7	174.8	0	0	0	0	0	112.8	A509 V510 S517 F647	A509-G513 WeakPolarHBondContact O-CA 3.31Å; A509-G513 PolarHBondContact O-N 2.04Å; V510-G513 PolarHBondContact O-N 2.8Å; V510-G513 VanDerWaalsContact O-N 3.15Å; G513-S517 WeakPolarHBondContact O-CB 3.35Å; G513-S517 PolarHBondContact O-OG 2.89Å; G513-F647 VanDerWaalsContact O-CA 3.25Å; G513-F647 WeakPolarHBondContact O-CA 3.36Å; G513-F647 WeakPolarHBondContact O-CB 3.09Å
514	C	96.3	Very high	96.4	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.027	11%	0.106	C	C	.	.	I	π-helix	trans	-94.3	-94.3	177.7	-59.6	0	0	0	0	112.7	F501 V510 N511 F512 G516 S517 V518 S646 F650	F501-C514 WeakPolarHBondContact O-CB 3.45Å; V510-C514 PolarHBondContact O-N 3.1Å; N511-C514 CarbonylContact O-C 3.57Å; F512-C514 VanDerWaalsContact C-N 3.28Å; F512-C514 PolarHBondContact O-N 2.86Å; C514-G516 PolarHBondContact O-N 3.15Å; C514-S517 WeakPolarHBondContact O-CB 3.45Å; C514-S517 PolarHBondContact O-N 3.36Å; C514-V518 PolarHBondContact O-N 2.99Å; C514-S646 PolarHBondContact SG-O 3.19Å; C514-F650 HydrophobicContact CB-CD1 4.2Å
515	I	97.1	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-60.2	-32.7	-172.8	-167.6	65.2	0	0	0	112.6	M373 I496 L497 F501 Y502 N511 S517 V518 I519	M373-I515 HydrophobicContact CE-CG2 3.9Å; M373-I515 HydrophobicContact SD-CG2 3.68Å; I496-I515 HydrophobicContact CG1-CD1 4.44Å; I496-I515 HydrophobicContact CG2-CD1 4.31Å; L497-I515 HydrophobicContact CD2-CD1 3.73Å; L497-I515 HydrophobicContact CD2-CG1 3.74Å; F501-I515 HydrophobicContact CB-CB 4.49Å; F501-I515 VanDerWaalsContact O-CB 3.29Å; F501-I515 WeakPolarHBondContact O-CB 3.5Å; F501-I515 WeakPolarHBondContact O-CG2 3.4Å; F501-I515 PolarHBondContact O-N 3.05Å; F501-I515 VanDerWaalsContact O-N 3.16Å; Y502-I515 HydrophobicContact CD2-CG2 3.9Å; Y502-I515 HydrophobicContact CG-CG2 4.27Å; N511-I515 VanDerWaalsContact O-CG2 3.23Å; N511-I515 WeakPolarHBondContact O-CG2 3.25Å; N511-I515 PolarHBondContact O-N 3.48Å; I515-S517 VanDerWaalsContact C-N 3.31Å; I515-S517 PolarHBondContact O-N 3.29Å; I515-V518 HydrophobicContact CD1-CB 4.28Å; I515-V518 HydrophobicContact CD1-CG1 4.49Å; I515-V518 WeakPolarHBondContact O-CB 3.13Å; I515-V518 PolarHBondContact O-N 3.22Å; I515-V518 VanDerWaalsContact O-N 3.17Å; I515-I519 HydrophobicContact CG1-CD1 4.03Å; I515-I519 HydrophobicContact CG1-CG1 4.23Å; I515-I519 VanDerWaalsContact O-CG1 3.25Å; I515-I519 WeakPolarHBondContact O-CG1 3.31Å; I515-I519 PolarHBondContact O-N 3.08Å
516	G	98.1	Very high	96.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-63.1	-37.6	175.7	0	0	0	0	0	112.7	N511 F512 C514 I519 G520 S615	N511-G516 PolarHBondContact O-N 3.43Å; F512-G516 CarbonylContact O-C 3.54Å; F512-G516 WeakPolarHBondContact O-CA 3.36Å; C514-G516 PolarHBondContact O-N 3.15Å; G516-I519 PolarHBondContact O-N 2.9Å; G516-G520 PolarHBondContact O-N 3.46Å; G516-S615 WeakPolarHBondContact CA-OG 3.36Å
517	S	98.1	Very high	96.8	Very high	5 Å²	5	8.2 Å²	8.2	4%	0.035	5%	0.049	C	C	.	.	H	α-helix	trans	-67	-37.2	173.9	-60.4	0	0	0	0	111.8	F512 G513 C514 I515 H521 S615	F512-S517 PolarHBondContact O-N 2.71Å; F512-S517 PolarHBondContact O-OG 2.75Å; G513-S517 WeakPolarHBondContact O-CB 3.35Å; G513-S517 PolarHBondContact O-OG 2.89Å; C514-S517 WeakPolarHBondContact O-CB 3.45Å; C514-S517 PolarHBondContact O-N 3.36Å; I515-S517 VanDerWaalsContact C-N 3.31Å; I515-S517 PolarHBondContact O-N 3.29Å; S517-H521 VanDerWaalsContact O-CB 3.3Å; S517-H521 WeakPolarHBondContact O-CB 3.45Å; S517-H521 PolarHBondContact O-N 3.41Å; S517-S615 PolarHBondContact N-OG 3.16Å
518	V	97.5	Very high	96.5	Very high	17 Å²	17	7.1 Å²	7.1	10%	0.103	4%	0.042	C	C	.	.	H	α-helix	trans	-65.8	-47.4	174.2	177.9	0	0	0	0	110.7	A481 I496 C514 I515 G520 H521 E522 F650	A481-V518 HydrophobicContact CB-CG1 3.79Å; I496-V518 HydrophobicContact CD1-CG1 4.35Å; C514-V518 PolarHBondContact O-N 2.99Å; I515-V518 HydrophobicContact CD1-CB 4.28Å; I515-V518 HydrophobicContact CD1-CG1 4.49Å; I515-V518 WeakPolarHBondContact O-CB 3.13Å; I515-V518 PolarHBondContact O-N 3.22Å; I515-V518 VanDerWaalsContact O-N 3.17Å; V518-G520 VanDerWaalsContact C-N 3.33Å; V518-G520 PolarHBondContact O-N 3.44Å; V518-H521 VanDerWaalsContact O-CB 3.3Å; V518-H521 WeakPolarHBondContact O-CB 3.46Å; V518-H521 PolarHBondContact O-N 3.42Å; V518-H521 VanDerWaalsContact O-N 3.11Å; V518-E522 WeakPolarHBondContact O-CG 3.48Å; V518-E522 PolarHBondContact O-N 3.17Å; V518-F650 HydrophobicContact CG2-CE2 4.24Å; V518-F650 HydrophobicContact CG2-CZ 4.23Å
519	I	98	Very high	96.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-62.5	-42.7	177.5	-62	168.1	0	0	0	110.6	V370 M373 V374 L377 I490 L492 I515 G516 H521 E522 M523	V370-I519 HydrophobicContact CG1-CD1 4.18Å; M373-I519 HydrophobicContact CG-CD1 4.34Å; M373-I519 HydrophobicContact SD-CD1 3.92Å; V374-I519 HydrophobicContact CG2-CD1 4.32Å; V374-I519 HydrophobicContact CG2-CG2 4Å; L377-I519 HydrophobicContact CD1-CB 3.43Å; L377-I519 VanDerWaalsContact CD1-CB 3.43Å; L377-I519 HydrophobicContact CD1-CD1 4.17Å; L377-I519 HydrophobicContact CD1-CG1 4.39Å; L377-I519 HydrophobicContact CD1-CG2 3.3Å; I490-I519 HydrophobicContact CD1-CG2 4.11Å; L492-I519 HydrophobicContact CD1-CD1 3.76Å; L492-I519 HydrophobicContact CD1-CG1 3.58Å; L492-I519 HydrophobicContact CD2-CG1 3.82Å; L492-I519 HydrophobicContact CG-CG1 4.37Å; I515-I519 HydrophobicContact CG1-CD1 4.03Å; I515-I519 HydrophobicContact CG1-CG1 4.23Å; I515-I519 VanDerWaalsContact O-CG1 3.25Å; I515-I519 WeakPolarHBondContact O-CG1 3.31Å; I515-I519 PolarHBondContact O-N 3.08Å; G516-I519 PolarHBondContact O-N 2.9Å; I519-H521 VanDerWaalsContact C-N 3.29Å; I519-H521 PolarHBondContact O-N 3.1Å; I519-E522 PolarHBondContact O-N 3.38Å; I519-M523 HydrophobicContact CG2-CE 3.67Å; I519-M523 HydrophobicContact CG2-SD 4.36Å; I519-M523 WeakPolarHBondContact O-CG 3.19Å; I519-M523 PolarHBondContact O-N 3.16Å
520	G	98.3	Very high	95.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-36.5	174.2	0	0	0	0	0	112.7	G516 V518 M523 T524 G611 Q614	G516-G520 PolarHBondContact O-N 3.46Å; V518-G520 VanDerWaalsContact C-N 3.33Å; V518-G520 PolarHBondContact O-N 3.44Å; G520-M523 PolarHBondContact O-N 3.3Å; G520-T524 WeakPolarHBondContact O-CB 3.38Å; G520-T524 PolarHBondContact O-N 3.29Å; G520-T524 PolarHBondContact O-OG1 3.21Å; G520-G611 WeakPolarHBondContact O-CA 3.42Å; G520-Q614 PolarHBondContact O-OE1 3.03Å
521	H	98.1	Very high	95	Very high	10 Å²	10	12 Å²	12	5%	0.046	6%	0.056	C	C	.	.	H	α-helix	trans	-61.3	-50.7	174.8	174.4	108.2	0	0	0	110.4	S517 V518 I519 M523 T524 H525 E604 A607 D608 R675	S517-H521 VanDerWaalsContact O-CB 3.3Å; S517-H521 WeakPolarHBondContact O-CB 3.45Å; S517-H521 PolarHBondContact O-N 3.41Å; V518-H521 VanDerWaalsContact O-CB 3.3Å; V518-H521 WeakPolarHBondContact O-CB 3.46Å; V518-H521 PolarHBondContact O-N 3.42Å; V518-H521 VanDerWaalsContact O-N 3.11Å; I519-H521 VanDerWaalsContact C-N 3.29Å; I519-H521 PolarHBondContact O-N 3.1Å; H521-M523 VanDerWaalsContact C-N 3.35Å; H521-M523 PolarHBondContact O-N 3.07Å; H521-T524 WeakPolarHBondContact O-CB 3.45Å; H521-T524 PolarHBondContact O-N 3.04Å; H521-T524 VanDerWaalsContact O-N 3.09Å; H521-H525 AromaticContact CD2-CD2 3.85Å; H521-H525 AromaticContact CD2-NE2 3.49Å; H521-H525 PolarHBondContact CD2-NE2 2.92Å; H521-H525 AromaticContact NE2-CD2 3.87Å; H521-H525 AromaticContact NE2-CE1 3.53Å; H521-H525 AromaticContact NE2-NE2 3.05Å; H521-H525 PolarHBondContact NE2-NE2 3.25Å; H521-H525 PolarHBondContact O-N 3.31Å; H521-E604 IonicContact CE1-OE2 3.53Å; H521-E604 PolarHBondContact CE1-OE2 2.89Å; H521-E604 IonicContact NE2-OE2 2.74Å; H521-E604 PolarHBondContact NE2-OE2 3.35Å; H521-A607 WeakPolarHBondContact CE1-CB 3.45Å; H521-A607 WeakPolarHBondContact ND1-CB 3.27Å; H521-D608 IonicContact CE1-OD1 3.79Å; H521-D608 PolarHBondContact CE1-OD1 2.63Å; H521-D608 VanDerWaalsContact CE1-OD1 3.24Å; H521-D608 IonicContact CG-OD1 2.61Å; H521-D608 PolarHBondContact ND1-N 3.4Å; H521-D608 IonicContact ND1-OD1 3.12Å; H521-D608 PolarHBondContact ND1-OD1 3.33Å; H521-R675 PolarHBondContact CE1-NH2 3.17Å
522	E	97.6	Very high	94.6	Very high	11 Å²	11	12 Å²	12	5%	0.051	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-39.1	176.9	-58.8	-48.7	146.5	0	0	112.9	A481 W482 Y483 I490 V518 I519 T524 H525	A481-E522 HydrophobicContact CB-CG 3.78Å; W482-E522 WeakPolarHBondContact CA-OE2 3.48Å; Y483-E522 WeakPolarHBondContact CB-O 3.29Å; Y483-E522 PolarHBondContact N-OE2 2.67Å; I490-E522 HydrophobicContact CB-CB 4.13Å; I490-E522 HydrophobicContact CG2-CB 3.67Å; V518-E522 WeakPolarHBondContact O-CG 3.48Å; V518-E522 PolarHBondContact O-N 3.17Å; I519-E522 PolarHBondContact O-N 3.38Å; E522-T524 VanDerWaalsContact C-N 3.32Å; E522-T524 PolarHBondContact O-N 2.91Å; E522-H525 WeakPolarHBondContact O-CB 3.32Å; E522-H525 PolarHBondContact O-N 2.8Å; E522-H525 IonicContact OE2-CD2 3.45Å; E522-H525 PolarHBondContact OE2-CD2 3.15Å
523	M	97.5	Very high	94	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.4	-41.4	174	-72.1	-178.5	179.9	0	0	111.5	V374 L377 K378 I403 M406 I490 I519 G520 H521 H525 G526 F527	V374-M523 HydrophobicContact CB-CE 4.23Å; V374-M523 HydrophobicContact CG1-CE 3.6Å; V374-M523 WeakPolarHBondContact O-CE 3.39Å; L377-M523 HydrophobicContact CB-CE 3.94Å; L377-M523 HydrophobicContact CB-SD 3.72Å; K378-M523 HydrophobicContact CG-CE 3.79Å; K378-M523 HydrophobicContact CG-SD 4.18Å; I403-M523 HydrophobicContact CD1-CB 4.3Å; I403-M523 HydrophobicContact CD1-CG 4.35Å; I403-M523 HydrophobicContact CD1-SD 4.29Å; M406-M523 HydrophobicContact SD-CB 4.27Å; M406-M523 HydrophobicContact SD-CG 3.86Å; I490-M523 HydrophobicContact CD1-CE 3.83Å; I490-M523 HydrophobicContact CD1-CG 4.11Å; I519-M523 HydrophobicContact CG2-CE 3.67Å; I519-M523 HydrophobicContact CG2-SD 4.36Å; I519-M523 WeakPolarHBondContact O-CG 3.19Å; I519-M523 PolarHBondContact O-N 3.16Å; G520-M523 PolarHBondContact O-N 3.3Å; H521-M523 VanDerWaalsContact C-N 3.35Å; H521-M523 PolarHBondContact O-N 3.07Å; M523-H525 VanDerWaalsContact C-N 3.29Å; M523-H525 PolarHBondContact O-N 3.41Å; M523-G526 PolarHBondContact O-N 2.75Å; M523-G526 VanDerWaalsContact O-N 3.09Å; M523-F527 WeakPolarHBondContact O-CD2 3.28Å
524	T	97.5	Very high	93.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66	-30.9	179.6	-56.2	0	0	0	0	112	G520 H521 E522 G526 F527 G528 I606 G611 Q614 W707	G520-T524 WeakPolarHBondContact O-CB 3.38Å; G520-T524 PolarHBondContact O-N 3.29Å; G520-T524 PolarHBondContact O-OG1 3.21Å; H521-T524 WeakPolarHBondContact O-CB 3.45Å; H521-T524 PolarHBondContact O-N 3.04Å; H521-T524 VanDerWaalsContact O-N 3.09Å; E522-T524 VanDerWaalsContact C-N 3.32Å; E522-T524 PolarHBondContact O-N 2.91Å; T524-G526 PolarHBondContact O-N 3.13Å; T524-G526 VanDerWaalsContact O-N 3.16Å; T524-F527 CarbonylContact O-C 3.55Å; T524-F527 WeakPolarHBondContact O-CA 3.44Å; T524-F527 PolarHBondContact O-N 2.96Å; T524-G528 PolarHBondContact O-N 3.14Å; T524-I606 HydrophobicContact CG2-CG2 4.25Å; T524-G611 PolarHBondContact OG1-N 2.91Å; T524-Q614 PolarHBondContact OG1-NE2 3.23Å; T524-Q614 PolarHBondContact OG1-OE1 3.31Å; T524-W707 VanDerWaalsContact CG2-CD1 3.46Å; T524-W707 HydrophobicContact CG2-CG 4.18Å
525	H	96	Very high	93.5	Very high	35 Å²	35	14.5 Å²	14.5	16%	0.162	7%	0.07	C	C	.	.	H	α-helix	trans	-55.4	-31.8	171.5	-79.1	-43.4	0	0	0	113.2	Y483 H521 E522 M523 F527 G528 G531 E604	Y483-H525 HydrophobicContact CD1-CB 3.55Å; Y483-H525 HydrophobicContact CE1-CB 4.38Å; Y483-H525 HydrophobicContact CG-CB 3.82Å; H521-H525 AromaticContact CD2-CD2 3.85Å; H521-H525 AromaticContact CD2-NE2 3.49Å; H521-H525 PolarHBondContact CD2-NE2 2.92Å; H521-H525 AromaticContact NE2-CD2 3.87Å; H521-H525 AromaticContact NE2-CE1 3.53Å; H521-H525 AromaticContact NE2-NE2 3.05Å; H521-H525 PolarHBondContact NE2-NE2 3.25Å; H521-H525 PolarHBondContact O-N 3.31Å; E522-H525 WeakPolarHBondContact O-CB 3.32Å; E522-H525 PolarHBondContact O-N 2.8Å; E522-H525 IonicContact OE2-CD2 3.45Å; E522-H525 PolarHBondContact OE2-CD2 3.15Å; M523-H525 VanDerWaalsContact C-N 3.29Å; M523-H525 PolarHBondContact O-N 3.41Å; H525-F527 PolarHBondContact O-N 3.43Å; H525-F527 VanDerWaalsContact O-N 3.14Å; H525-G528 PolarHBondContact O-N 2.74Å; H525-G531 WeakPolarHBondContact O-CA 3.34Å; H525-G531 PolarHBondContact O-N 2.87Å; H525-E604 IonicContact CE1-OE1 3.47Å; H525-E604 PolarHBondContact CE1-OE1 2.76Å; H525-E604 VanDerWaalsContact CE1-OE1 3.25Å; H525-E604 IonicContact CE1-OE2 3.99Å; H525-E604 PolarHBondContact CE1-OE2 3.31Å; H525-E604 IonicContact NE2-OE1 2.73Å; H525-E604 IonicContact NE2-OE2 3.35Å; H525-E604 PolarHBondContact NE2-OE2 3.47Å
526	G	94.5	Very high	93.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.7	172.8	0	0	0	0	0	114.6	K402 Y483 M523 T524 G531	K402-G526 WeakPolarHBondContact CE-O 3.25Å; K402-G526 PolarHBondContact NZ-O 2.9Å; Y483-G526 WeakPolarHBondContact OH-CA 3.23Å; M523-G526 PolarHBondContact O-N 2.75Å; M523-G526 VanDerWaalsContact O-N 3.09Å; T524-G526 PolarHBondContact O-N 3.13Å; T524-G526 VanDerWaalsContact O-N 3.16Å; G526-G531 CarbonylContact O-C 3.58Å
527	F	94.2	Very high	93	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-1.9	-178.4	-54.1	-88.5	0	0	0	112.7	F381 A399 K402 I403 M406 M523 T524 H525 W562 W707	F381-F527 HydrophobicContact CE1-CD1 4.34Å; F381-F527 HydrophobicContact CE1-CD2 4.18Å; F381-F527 HydrophobicContact CE1-CE1 4.03Å; F381-F527 AromaticContact CE1-CE2 3.87Å; F381-F527 HydrophobicContact CE1-CE2 3.87Å; F381-F527 HydrophobicContact CE1-CG 4.43Å; F381-F527 AromaticContact CE1-CZ 3.8Å; F381-F527 HydrophobicContact CE1-CZ 3.8Å; F381-F527 AromaticContact CE2-CD2 3.58Å; F381-F527 HydrophobicContact CE2-CD2 3.58Å; F381-F527 AromaticContact CE2-CE2 3.88Å; F381-F527 HydrophobicContact CE2-CE2 3.88Å; F381-F527 HydrophobicContact CE2-CG 4.1Å; F381-F527 HydrophobicContact CZ-CB 4.31Å; F381-F527 AromaticContact CZ-CD1 3.82Å; F381-F527 HydrophobicContact CZ-CD1 3.82Å; F381-F527 AromaticContact CZ-CD2 3.34Å; F381-F527 HydrophobicContact CZ-CD2 3.34Å; F381-F527 AromaticContact CZ-CE1 3.93Å; F381-F527 HydrophobicContact CZ-CE1 3.93Å; F381-F527 AromaticContact CZ-CE2 3.49Å; F381-F527 HydrophobicContact CZ-CE2 3.49Å; F381-F527 VanDerWaalsContact CZ-CE2 3.49Å; F381-F527 AromaticContact CZ-CG 3.54Å; F381-F527 HydrophobicContact CZ-CG 3.54Å; F381-F527 AromaticContact CZ-CZ 3.8Å; F381-F527 HydrophobicContact CZ-CZ 3.8Å; A399-F527 HydrophobicContact CB-CD1 4.24Å; A399-F527 HydrophobicContact CB-CE1 3.9Å; A399-F527 WeakPolarHBondContact O-CE1 3.42Å; K402-F527 HydrophobicContact CB-CE1 3.92Å; K402-F527 HydrophobicContact CB-CZ 4.02Å; K402-F527 HydrophobicContact CD-CD1 4.41Å; K402-F527 HydrophobicContact CD-CE1 3.85Å; K402-F527 HydrophobicContact CD-CZ 4.12Å; K402-F527 HydrophobicContact CG-CE1 3.99Å; K402-F527 HydrophobicContact CG-CZ 3.88Å; I403-F527 HydrophobicContact CB-CE2 4.2Å; I403-F527 HydrophobicContact CB-CZ 3.77Å; I403-F527 HydrophobicContact CD1-CE2 3.92Å; I403-F527 HydrophobicContact CD1-CZ 4.36Å; M406-F527 HydrophobicContact CE-CE2 4.1Å; M523-F527 WeakPolarHBondContact O-CD2 3.28Å; T524-F527 CarbonylContact O-C 3.55Å; T524-F527 WeakPolarHBondContact O-CA 3.44Å; T524-F527 PolarHBondContact O-N 2.96Å; H525-F527 PolarHBondContact O-N 3.43Å; H525-F527 VanDerWaalsContact O-N 3.14Å; F527-W562 HydrophobicContact CD1-CH2 4.13Å; F527-W562 HydrophobicContact CE1-CH2 4.49Å; F527-W707 HydrophobicContact CB-CD2 4.08Å; F527-W707 VanDerWaalsContact CB-CE2 3.48Å; F527-W707 HydrophobicContact CB-CE3 4.45Å; F527-W707 HydrophobicContact CB-CH2 3.82Å; F527-W707 HydrophobicContact CB-CZ2 3.42Å; F527-W707 VanDerWaalsContact CB-CZ2 3.42Å; F527-W707 HydrophobicContact CB-CZ3 4.31Å; F527-W707 HydrophobicContact CD1-CH2 4.37Å; F527-W707 HydrophobicContact CG-CH2 4.48Å; F527-W707 HydrophobicContact CG-CZ2 4.49Å; F527-W707 WeakPolarHBondContact O-CZ2 3.14Å; F527-W707 PolarHBondContact O-NE1 2.89Å
528	G	88.3	Confident	92.7	Very high	3 Å²	3	19.9 Å²	19.9	3%	0.031	9%	0.091	C	C	.	.	S	Bend	trans	-66.4	-174.8	173.4	0	0	0	0	0	112.4	T524 H525 R530 G531 A532	T524-G528 PolarHBondContact O-N 3.14Å; H525-G528 PolarHBondContact O-N 2.74Å; G528-R530 PolarHBondContact O-N 3.02Å; G528-R530 VanDerWaalsContact O-N 3.15Å; G528-G531 PolarHBondContact O-N 3.31Å; G528-A532 WeakPolarHBondContact O-CB 3.29Å; G528-A532 PolarHBondContact O-N 2.82Å
529	T	85.8	Confident	92.4	Very high	28 Å²	28	20.4 Å²	20.4	17%	0.172	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-40.6	-176.9	48.7	0	0	0	0	113.3	F571 V575 K602 I606	T529-F571 HydrophobicContact CG2-CE1 4.3Å; T529-F571 HydrophobicContact CG2-CZ 4.34Å; T529-V575 HydrophobicContact CG2-CG1 3.81Å; T529-V575 HydrophobicContact CG2-CG2 3.84Å; T529-K602 HydrophobicContact CG2-CD 4.14Å; T529-K602 HydrophobicContact CG2-CG 4.16Å; T529-I606 HydrophobicContact CG2-CD1 3.94Å
530	R	85.1	Confident	92	Very high	120 Å²	120	20.4 Å²	20.4	45%	0.453	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-51.7	176.7	178.5	175.9	-178.5	-174.5	5.7	112.6	H232 P485 G528 A532 E533 Y534	H232-R530 VanDerWaalsContact CE1-CZ 3.4Å; H232-R530 PolarHBondContact CE1-NE 2.66Å; H232-R530 PolarHBondContact CE1-NH2 3.24Å; H232-R530 VanDerWaalsContact NE2-CD 3.32Å; H232-R530 WeakPolarHBondContact NE2-CD 3.39Å; H232-R530 WeakPolarHBondContact NE2-CG 3.17Å; H232-R530 PolarHBondContact NE2-NE 3.35Å; H232-R530 VanDerWaalsContact NE2-NE 3.16Å; P485-R530 HydrophobicContact CG-CG 4.26Å; G528-R530 PolarHBondContact O-N 3.02Å; G528-R530 VanDerWaalsContact O-N 3.15Å; R530-A532 VanDerWaalsContact C-N 3.27Å; R530-A532 PolarHBondContact O-N 3.14Å; R530-E533 PolarHBondContact O-N 3.14Å; R530-Y534 HydrophobicContact CG-CE2 4.29Å; R530-Y534 WeakPolarHBondContact O-CD2 3.32Å
531	G	85.3	Confident	90.7	Very high	1 Å²	1	21 Å²	21	1%	0.01	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-63.3	-33.8	-175.1	0	0	0	0	0	112.9	K402 H525 G526 G528 E533 Y534	K402-G531 PolarHBondContact NZ-O 3.07Å; H525-G531 WeakPolarHBondContact O-CA 3.34Å; H525-G531 PolarHBondContact O-N 2.87Å; G526-G531 CarbonylContact O-C 3.58Å; G528-G531 PolarHBondContact O-N 3.31Å; G531-E533 PolarHBondContact O-N 2.81Å; G531-Y534 PolarHBondContact O-N 3.28Å
532	A	87.9	Confident	88.8	Confident	9 Å²	9	21.3 Å²	21.3	7%	0.074	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-56.3	-22.9	178.4	0	0	0	0	0	113.9	G528 R530 Y534 W562 W563	G528-A532 WeakPolarHBondContact O-CB 3.29Å; G528-A532 PolarHBondContact O-N 2.82Å; R530-A532 VanDerWaalsContact C-N 3.27Å; R530-A532 PolarHBondContact O-N 3.14Å; A532-Y534 VanDerWaalsContact C-N 3.33Å; A532-W562 WeakPolarHBondContact O-CZ2 3.46Å; A532-W562 PolarHBondContact O-NE1 3.5Å; A532-W563 HydrophobicContact CB-CZ2 3.6Å; A532-W563 PolarHBondContact O-NE1 3.3Å
533	E	86.9	Confident	86.5	Confident	29 Å²	29	24.2 Å²	24.2	14%	0.136	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-75.4	-21.9	177.7	-57.7	-171.2	-147.6	0	0	112.9	H232 T233 R530 G531 L540 N541	H232-E533 WeakPolarHBondContact CB-OE2 3.48Å; H232-E533 PolarHBondContact N-OE1 3.36Å; H232-E533 PolarHBondContact N-OE2 3.42Å; T233-E533 PolarHBondContact N-OE2 3.29Å; T233-E533 PolarHBondContact OG1-OE2 3.38Å; R530-E533 PolarHBondContact O-N 3.14Å; G531-E533 PolarHBondContact O-N 2.81Å; E533-L540 HydrophobicContact CB-CD1 3.58Å; E533-N541 PolarHBondContact O-N 3.49Å; E533-N541 PolarHBondContact O-ND2 3.49Å; E533-N541 VanDerWaalsContact O-ND2 3.1Å
534	Y	91.4	Very high	83.7	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.008	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-95.6	145	-175.8	-61.7	-94.2	0	0	0	112.1	E141 H232 K402 P485 R530 G531 A532 G538 N539 L540 W562	E141-Y534 HydrophobicContact CB-CE1 4.23Å; E141-Y534 PolarHBondContact OE1-OH 2.89Å; E141-Y534 PolarHBondContact OE2-OH 2.67Å; H232-Y534 HydrophobicContact CB-CE2 4.48Å; H232-Y534 AromaticContact ND1-CZ 3.95Å; H232-Y534 PolarHBondContact ND1-OH 3.36Å; K402-Y534 WeakPolarHBondContact CE-O 3.23Å; K402-Y534 PolarHBondContact NZ-O 3.08Å; P485-Y534 HydrophobicContact CB-CD1 4.34Å; P485-Y534 HydrophobicContact CB-CD2 3.54Å; P485-Y534 HydrophobicContact CB-CE1 4.35Å; P485-Y534 HydrophobicContact CB-CE2 3.54Å; P485-Y534 HydrophobicContact CB-CG 3.95Å; P485-Y534 HydrophobicContact CG-CE2 4.43Å; R530-Y534 HydrophobicContact CG-CE2 4.29Å; R530-Y534 WeakPolarHBondContact O-CD2 3.32Å; G531-Y534 PolarHBondContact O-N 3.28Å; A532-Y534 VanDerWaalsContact C-N 3.33Å; Y534-G538 VanDerWaalsContact CD1-O 3.31Å; Y534-G538 WeakPolarHBondContact CD1-O 3.2Å; Y534-N539 CarbonylContact C-O 3.53Å; Y534-N539 VanDerWaalsContact CA-O 3.29Å; Y534-N539 WeakPolarHBondContact CA-O 3.28Å; Y534-L540 HydrophobicContact CD1-CB 4.12Å; Y534-L540 HydrophobicContact CD1-CD1 4.42Å; Y534-L540 HydrophobicContact CD2-CD1 4.43Å; Y534-L540 HydrophobicContact CE1-CB 3.89Å; Y534-L540 HydrophobicContact CE1-CD1 4.02Å; Y534-L540 HydrophobicContact CE2-CD1 4.04Å; Y534-W562 PolarHBondContact O-NE1 3.07Å
535	D	91.3	Very high	80.6	Confident	35 Å²	35	34.8 Å²	34.8	19%	0.187	18%	0.177	C	C	.	.			trans	-78.5	-171.7	175.2	72.2	12.8	0	0	0	112.8	K402 Y537 G538 N539 N541	K402-D535 WeakPolarHBondContact CE-O 3.27Å; D535-Y537 PolarHBondContact O-N 3.4Å; D535-Y537 WeakPolarHBondContact OD1-CA 3.33Å; D535-Y537 PolarHBondContact OD1-N 3.17Å; D535-G538 PolarHBondContact O-N 3.28Å; D535-G538 PolarHBondContact OD1-N 3.17Å; D535-N539 PolarHBondContact N-O 3.43Å; D535-N539 PolarHBondContact OD1-N 2.94Å; D535-N539 PolarHBondContact OD1-ND2 3.04Å; D535-N539 WeakPolarHBondContact OD2-CB 3.47Å; D535-N539 PolarHBondContact OD2-ND2 2.93Å; D535-N541 PolarHBondContact N-ND2 3.41Å
536	S	92.9	Very high	77.6	Confident	7 Å²	7	39 Å²	39	5%	0.049	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-17	178.9	-50.2	0	0	0	0	114.7	K402 H405 N488	K402-S536 VanDerWaalsContact CA-OG 3.28Å; K402-S536 WeakPolarHBondContact CA-OG 3.21Å; K402-S536 PolarHBondContact N-OG 3.43Å; H405-S536 WeakPolarHBondContact CB-O 3.24Å; N488-S536 PolarHBondContact ND2-O 3.12Å
537	Y	91.7	Very high	74.5	Confident	111 Å²	111	47 Å²	47	44%	0.435	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-0.8	-178.4	-63.2	-81.5	0	0	0	113	H405 D535	H405-Y537 PolarHBondContact NE2-OH 2.53Å; D535-Y537 PolarHBondContact O-N 3.4Å; D535-Y537 WeakPolarHBondContact OD1-CA 3.33Å; D535-Y537 PolarHBondContact OD1-N 3.17Å
538	G	91.4	Very high	71.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	91.8	15.7	178.5	0	0	0	0	0	114.7	A144 P485 S486 Y534 D535	A144-G538 WeakPolarHBondContact CB-O 3.48Å; P485-G538 WeakPolarHBondContact O-CA 3.23Å; S486-G538 WeakPolarHBondContact CA-O 3.48Å; Y534-G538 VanDerWaalsContact CD1-O 3.31Å; Y534-G538 WeakPolarHBondContact CD1-O 3.2Å; D535-G538 PolarHBondContact O-N 3.28Å; D535-G538 PolarHBondContact OD1-N 3.17Å
539	N	91.9	Very high	69	Low	27 Å²	27	66.8 Å²	66.8	14%	0.144	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-88.7	131.7	173.9	-47.3	-71.4	0	0	0	111.1	E141 A144 Y534 D535 N541	E141-N539 CarbonylContact O-C 3.46Å; E141-N539 WeakPolarHBondContact O-CA 3.27Å; A144-N539 WeakPolarHBondContact CB-OD1 3.21Å; A144-N539 PolarHBondContact N-OD1 2.88Å; Y534-N539 CarbonylContact C-O 3.53Å; Y534-N539 VanDerWaalsContact CA-O 3.29Å; Y534-N539 WeakPolarHBondContact CA-O 3.28Å; D535-N539 PolarHBondContact N-O 3.43Å; D535-N539 PolarHBondContact OD1-N 2.94Å; D535-N539 PolarHBondContact OD1-ND2 3.04Å; D535-N539 WeakPolarHBondContact OD2-CB 3.47Å; D535-N539 PolarHBondContact OD2-ND2 2.93Å; N539-N541 PolarHBondContact O-ND2 3.08Å
540	L	87.7	Confident	66.5	Low	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-67.8	121.9	173.8	-174.8	73.3	0	0	0	110.3	E141 R142 H232 Y236 E533 Y534	E141-L540 HydrophobicContact CB-CB 3.97Å; E141-L540 HydrophobicContact CB-CD2 4.18Å; E141-L540 VanDerWaalsContact O-CB 3.27Å; E141-L540 WeakPolarHBondContact O-CB 2.98Å; E141-L540 PolarHBondContact O-N 3.38Å; R142-L540 HydrophobicContact CG-CB 4.45Å; H232-L540 HydrophobicContact CB-CD1 3.68Å; H232-L540 HydrophobicContact CB-CD2 4.47Å; Y236-L540 HydrophobicContact CG-CD2 4.12Å; E533-L540 HydrophobicContact CB-CD1 3.58Å; Y534-L540 HydrophobicContact CD1-CB 4.12Å; Y534-L540 HydrophobicContact CD1-CD1 4.42Å; Y534-L540 HydrophobicContact CD2-CD1 4.43Å; Y534-L540 HydrophobicContact CE1-CB 3.89Å; Y534-L540 HydrophobicContact CE1-CD1 4.02Å; Y534-L540 HydrophobicContact CE2-CD1 4.04Å
541	N	73	Confident	64	Low	13 Å²	13	75.7 Å²	75.7	7%	0.07	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-92.5	125.5	-179.4	-61.1	-74.6	0	0	0	110.6	E533 D535 N539 Y560	E533-N541 PolarHBondContact O-N 3.49Å; E533-N541 PolarHBondContact O-ND2 3.49Å; E533-N541 VanDerWaalsContact O-ND2 3.1Å; D535-N541 PolarHBondContact N-ND2 3.41Å; N539-N541 PolarHBondContact O-ND2 3.08Å; N541-Y560 PolarHBondContact OD1-O 3.26Å
542	V	57.4	Low	61.7	Low	17 Å²	17	83.5 Å²	83.5	10%	0.103	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-82.7	131	-177.5	-166	0	0	0	0	110.2	R142 T233 N544	R142-V542 VanDerWaalsContact NE-CG2 3.26Å; T233-V542 HydrophobicContact CG2-CG1 4.11Å; V542-N544 PolarHBondContact O-N 2.9Å
543	Q	49.7	Very low	59.3	Low	71 Å²	71	89.9 Å²	89.9	33%	0.332	44%	0.436	S	S	.	.	S	Bend	trans	-72.3	-3.6	-179.9	-128.6	146.4	61.7	0	0	115	K568	Q543-K568 VanDerWaalsContact CD-CE 3.49Å
544	N	38.4	Very low	56.6	Low	116 Å²	116	96.8 Å²	96.8	62%	0.62	47%	0.467	S	S	*	.			trans	-153	93.8	-178.7	-76	-50.5	0	0	0	111.9	V542	V542-N544 PolarHBondContact O-N 2.9Å
545	C	32.9	Very low	53.9	Low	107 Å²	107	103.9 Å²	103.9	72%	0.723	50%	0.504	S	S	*	.			trans	-103.3	66.4	150.6	-90.8	0	0	0	0	108.1
546	I	31.7	Very low	50.9	Low	124 Å²	124	113.7 Å²	113.7	64%	0.636	54%	0.539	S	S	*	.			trans	-90.5	108.1	169.4	-64	177.4	0	0	0	107.7
547	Q	30.1	Very low	48.1	Very low	168 Å²	168	120.6 Å²	120.6	79%	0.785	57%	0.569	S	S	*	*	S	Bend	trans	49.7	79.9	152.4	-69.4	177.7	-40.4	0	0	118.6
548	Y	31.1	Very low	45.3	Very low	222 Å²	222	118.7 Å²	118.7	87%	0.871	57%	0.57	S	S	*	*			trans	-153.1	50.2	147.3	-95.3	-74.1	0	0	0	111.9
549	F	36.4	Very low	42.8	Very low	195 Å²	195	122.8 Å²	122.8	86%	0.855	59%	0.588	S	S	*	*			trans	-155	91.4	161.8	-99.1	-76.5	0	0	0	110.1
550	V	32.7	Very low	40.8	Very low	131 Å²	131	129.1 Å²	129.1	79%	0.794	61%	0.611	S	S	*	*			trans	-102.1	133.8	157.7	-175.5	0	0	0	0	105.2
551	Y	31.7	Very low	39.7	Very low	204 Å²	204	131.1 Å²	131.1	80%	0.8	62%	0.622	S	S	*	*			trans	77.5	89.1	-171.4	-76.7	-93.7	0	0	0	115.9
552	L	37.4	Very low	40	Very low	165 Å²	165	131.6 Å²	131.6	86%	0.864	62%	0.622	S	S	*	*				-174.7	149.1	118.7	-92.2	162.3	0	0	0	110.1
553	I	36.9	Very low	41.4	Very low	144 Å²	144	131.4 Å²	131.4	74%	0.738	62%	0.62	S	S	*	*			trans	-86.7	139.8	-157.4	-71.2	161.3	0	0	0	111.3
554	H	31.2	Very low	43.2	Very low	173 Å²	173	130 Å²	130	80%	0.801	62%	0.616	S	S	*	*	S	Bend	trans	55.5	79.6	162.5	-68.2	-44.1	0	0	0	119.6
555	I	34.8	Very low	45.5	Very low	152 Å²	152	129.9 Å²	129.9	78%	0.779	62%	0.616	S	S	*	*				-169	107.6	126.6	-86.6	147.4	0	0	0	106	H557	I555-H557 PolarHBondContact O-N 3.41Å
556	R	27.9	Very low	48.3	Very low	241 Å²	241	127.6 Å²	127.6	91%	0.909	60%	0.601	S	S	*	*			trans	-92.2	86.5	175.6	-86	-175	171.5	174.3	-2.8	109.3
557	H	34.4	Very low	51.2	Low	151 Å²	151	121.7 Å²	121.7	70%	0.699	57%	0.571	S	S	*	*			trans	-91.3	83.7	151.8	-78.6	-84.1	0	0	0	107	I555 F559	I555-H557 PolarHBondContact O-N 3.41Å; H557-F559 HydrophobicContact CB-CE2 4.49Å; H557-F559 WeakPolarHBondContact O-CD2 3.35Å; H557-F559 PolarHBondContact O-N 2.73Å
558	T	33.6	Very low	54.1	Low	72 Å²	72	116 Å²	116	44%	0.442	54%	0.543	S	S	.	.			trans	-73.5	109.8	170.9	-6.2	0	0	0	0	107.7	Y560	T558-Y560 VanDerWaalsContact C-N 3.33Å; T558-Y560 HydrophobicContact CG2-CD2 4.5Å; T558-Y560 HydrophobicContact CG2-CE1 3.9Å; T558-Y560 HydrophobicContact CG2-CE2 3.9Å; T558-Y560 VanDerWaalsContact O-CD2 3.27Å; T558-Y560 WeakPolarHBondContact O-CD2 3.45Å; T558-Y560 PolarHBondContact O-N 3.2Å; T558-Y560 WeakPolarHBondContact OG1-CE2 3.23Å; T558-Y560 PolarHBondContact OG1-OH 3.35Å
559	F	38.9	Very low	56.9	Low	86 Å²	86	111.5 Å²	111.5	38%	0.377	53%	0.53	S	S	.	.			trans	-69	92.9	169.4	-66.2	-86.7	0	0	0	107.8	R142 H557	R142-F559 HydrophobicContact CB-CE1 4.36Å; R142-F559 WeakPolarHBondContact O-CE1 3.47Å; H557-F559 HydrophobicContact CB-CE2 4.49Å; H557-F559 WeakPolarHBondContact O-CD2 3.35Å; H557-F559 PolarHBondContact O-N 2.73Å
560	Y	49.4	Very low	59.7	Low	159 Å²	159	106 Å²	106	62%	0.624	51%	0.506	S	S	*	.			trans	-89.5	127	178.6	-71.6	-71.2	0	0	0	109.1	N541 T558 W562	N541-Y560 PolarHBondContact OD1-O 3.26Å; T558-Y560 VanDerWaalsContact C-N 3.33Å; T558-Y560 HydrophobicContact CG2-CD2 4.5Å; T558-Y560 HydrophobicContact CG2-CE1 3.9Å; T558-Y560 HydrophobicContact CG2-CE2 3.9Å; T558-Y560 VanDerWaalsContact O-CD2 3.27Å; T558-Y560 WeakPolarHBondContact O-CD2 3.45Å; T558-Y560 PolarHBondContact O-N 3.2Å; T558-Y560 WeakPolarHBondContact OG1-CE2 3.23Å; T558-Y560 PolarHBondContact OG1-OH 3.35Å; Y560-W562 PolarHBondContact O-N 2.56Å
561	N	63.5	Low	62.6	Low	43 Å²	43	100.5 Å²	100.5	23%	0.23	47%	0.471	C	S	.	.			trans	-50.8	114.6	156.2	-176.4	4.6	0	0	0	107.6	W563	N561-W563 PolarHBondContact ND2-O 3Å; N561-W563 VanDerWaalsContact ND2-O 3.16Å; N561-W563 PolarHBondContact O-N 3.03Å; N561-W563 WeakPolarHBondContact OD1-CB 3.15Å; N561-W563 PolarHBondContact OD1-N 3.44Å; N561-W563 VanDerWaalsContact OD1-N 3.09Å; N561-W563 PolarHBondContact OD1-O 3.15Å
562	W	81.2	Confident	65.5	Low	22 Å²	22	95.3 Å²	95.3	8%	0.083	45%	0.454	C	S	.	.	S	Bend	trans	-79	-5.4	-178.7	63.4	-89.7	0	0	0	112.4	T395 K398 A399 K402 F527 A532 Y534 Y560	T395-W562 HydrophobicContact CG2-CE3 4.43Å; T395-W562 HydrophobicContact CG2-CZ3 4.42Å; K398-W562 HydrophobicContact CB-CB 4.08Å; K398-W562 HydrophobicContact CB-CD2 4.4Å; K398-W562 HydrophobicContact CB-CE3 3.72Å; K398-W562 HydrophobicContact CD-CB 4.25Å; K398-W562 HydrophobicContact CG-CB 4.05Å; A399-W562 HydrophobicContact CB-CZ3 4.17Å; K402-W562 HydrophobicContact CD-CH2 4.4Å; K402-W562 HydrophobicContact CD-CZ2 4.1Å; F527-W562 HydrophobicContact CD1-CH2 4.13Å; F527-W562 HydrophobicContact CE1-CH2 4.49Å; A532-W562 WeakPolarHBondContact O-CZ2 3.46Å; A532-W562 PolarHBondContact O-NE1 3.5Å; Y534-W562 PolarHBondContact O-NE1 3.07Å; Y560-W562 PolarHBondContact O-N 2.56Å
563	W	85.2	Confident	68.3	Low	13 Å²	13	94.4 Å²	94.4	5%	0.049	45%	0.445	C	S	.	.	S	Bend	trans	-96.4	141.8	166.1	-64	64.8	0	0	0	110.4	W390 M391 T395 A532 N561 F571 W707	W390-W563 AromaticContact CH2-CH2 3.71Å; W390-W563 HydrophobicContact CH2-CH2 3.71Å; W390-W563 AromaticContact CH2-CZ3 3.52Å; W390-W563 HydrophobicContact CH2-CZ3 3.52Å; W390-W563 HydrophobicContact CZ3-CH2 4.32Å; W390-W563 AromaticContact CZ3-CZ3 3.65Å; W390-W563 HydrophobicContact CZ3-CZ3 3.65Å; M391-W563 HydrophobicContact CE-CH2 3.97Å; M391-W563 HydrophobicContact CE-CZ3 4.07Å; T395-W563 HydrophobicContact CG2-CB 4.22Å; T395-W563 HydrophobicContact CG2-CD2 3.82Å; T395-W563 HydrophobicContact CG2-CE3 3.93Å; T395-W563 HydrophobicContact CG2-CG 3.98Å; A532-W563 HydrophobicContact CB-CZ2 3.6Å; A532-W563 PolarHBondContact O-NE1 3.3Å; N561-W563 PolarHBondContact ND2-O 3Å; N561-W563 VanDerWaalsContact ND2-O 3.16Å; N561-W563 PolarHBondContact O-N 3.03Å; N561-W563 WeakPolarHBondContact OD1-CB 3.15Å; N561-W563 PolarHBondContact OD1-N 3.44Å; N561-W563 VanDerWaalsContact OD1-N 3.09Å; N561-W563 PolarHBondContact OD1-O 3.15Å; W563-F571 HydrophobicContact CE3-CB 4.43Å; W563-F571 HydrophobicContact CH2-CB 4.04Å; W563-F571 HydrophobicContact CH2-CD1 4.42Å; W563-F571 AromaticContact CH2-CD2 3.57Å; W563-F571 HydrophobicContact CH2-CD2 3.57Å; W563-F571 HydrophobicContact CH2-CE2 4.06Å; W563-F571 AromaticContact CH2-CG 3.76Å; W563-F571 HydrophobicContact CH2-CG 3.76Å; W563-F571 HydrophobicContact CZ3-CB 3.54Å; W563-F571 AromaticContact CZ3-CD2 3.99Å; W563-F571 HydrophobicContact CZ3-CD2 3.99Å; W563-F571 AromaticContact CZ3-CG 3.79Å; W563-F571 HydrophobicContact CZ3-CG 3.79Å; W563-W707 AromaticContact CH2-CH2 3.7Å; W563-W707 HydrophobicContact CH2-CH2 3.7Å; W563-W707 AromaticContact CH2-CZ2 3.86Å; W563-W707 HydrophobicContact CH2-CZ2 3.86Å; W563-W707 AromaticContact CZ2-CH2 3.96Å; W563-W707 HydrophobicContact CZ2-CH2 3.96Å; W563-W707 HydrophobicContact CZ2-CZ2 4.15Å
564	T	87.9	Confident	71.2	Confident	43 Å²	43	90 Å²	90	26%	0.264	42%	0.421	S	S	.	.			trans	-72.7	156.3	160.7	67.8	0	0	0	0	110.4	D392 T395 S566 S567 K568	D392-T564 WeakPolarHBondContact OD2-CB 3.48Å; D392-T564 WeakPolarHBondContact OD2-CG2 3.39Å; D392-T564 PolarHBondContact OD2-OG1 3.05Å; T395-T564 PolarHBondContact OG1-N 3.16Å; T564-S566 PolarHBondContact O-N 3.21Å; T564-S567 PolarHBondContact O-N 3.38Å; T564-S567 WeakPolarHBondContact OG1-CB 3.25Å; T564-S567 PolarHBondContact OG1-N 3.31Å; T564-S567 VanDerWaalsContact OG1-N 3.16Å; T564-S567 PolarHBondContact OG1-OG 2.77Å; T564-K568 WeakPolarHBondContact O-CB 3.34Å; T564-K568 PolarHBondContact O-N 3.21Å
565	N	87.8	Confident	74.2	Confident	113 Å²	113	82.3 Å²	82.3	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-57.1	-39.9	175.3	-68.7	-7	0	0	0	111.8	K568 E569	N565-K568 WeakPolarHBondContact O-CB 3.36Å; N565-K568 PolarHBondContact O-N 3.36Å; N565-E569 WeakPolarHBondContact O-CG 3.39Å; N565-E569 PolarHBondContact O-N 3.36Å
566	S	91.3	Very high	77.2	Confident	58 Å²	58	79.4 Å²	79.4	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-64.4	-43	179.1	-175.5	0	0	0	0	112.8	T564 K568 K570	T564-S566 PolarHBondContact O-N 3.21Å; S566-K568 VanDerWaalsContact C-N 3.31Å; S566-K570 WeakPolarHBondContact O-CG 3.48Å; S566-K570 PolarHBondContact O-N 3.26Å
567	S	92.8	Very high	80.5	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.007	33%	0.332	C	S	.	.	H	α-helix	trans	-66.4	-37.4	175.4	-64.7	0	0	0	0	110.9	W390 D392 T395 T564 F571	W390-S567 WeakPolarHBondContact CZ3-O 3.46Å; D392-S567 VanDerWaalsContact CG-OG 3.24Å; D392-S567 PolarHBondContact N-OG 2.88Å; D392-S567 VanDerWaalsContact N-OG 3.14Å; D392-S567 PolarHBondContact OD1-OG 3.08Å; D392-S567 PolarHBondContact OD2-OG 3.49Å; T395-S567 PolarHBondContact OG1-OG 3.27Å; T564-S567 PolarHBondContact O-N 3.38Å; T564-S567 WeakPolarHBondContact OG1-CB 3.25Å; T564-S567 PolarHBondContact OG1-N 3.31Å; T564-S567 VanDerWaalsContact OG1-N 3.16Å; T564-S567 PolarHBondContact OG1-OG 2.77Å; S567-F571 WeakPolarHBondContact O-CB 3.29Å; S567-F571 PolarHBondContact O-N 3.45Å
568	K	89.5	Confident	83.5	Confident	48 Å²	48	61.7 Å²	61.7	21%	0.209	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-49.6	178.2	-169.4	-171.7	176.6	-135.7	0	112.4	Q543 T564 N565 S566 K570 F571 E572	Q543-K568 VanDerWaalsContact CD-CE 3.49Å; T564-K568 WeakPolarHBondContact O-CB 3.34Å; T564-K568 PolarHBondContact O-N 3.21Å; N565-K568 WeakPolarHBondContact O-CB 3.36Å; N565-K568 PolarHBondContact O-N 3.36Å; S566-K568 VanDerWaalsContact C-N 3.31Å; K568-K570 VanDerWaalsContact C-N 3.32Å; K568-K570 PolarHBondContact O-N 3.05Å; K568-F571 WeakPolarHBondContact O-CB 3.32Å; K568-F571 PolarHBondContact O-N 3.38Å; K568-F571 VanDerWaalsContact O-N 3.09Å; K568-E572 WeakPolarHBondContact CE-OE1 3.43Å; K568-E572 IonicContact NZ-OE1 3.21Å; K568-E572 PolarHBondContact NZ-OE1 3.32Å; K568-E572 PolarHBondContact O-N 3.05Å
569	E	91.5	Very high	86.5	Confident	128 Å²	128	58.8 Å²	58.8	60%	0.598	28%	0.281	S	S	*	.	H	α-helix	trans	-57.8	-44.4	178.9	-73.8	168.5	-176.3	0	0	111.6	N565 F571 E572 E573	N565-E569 WeakPolarHBondContact O-CG 3.39Å; N565-E569 PolarHBondContact O-N 3.36Å; E569-F571 VanDerWaalsContact C-N 3.32Å; E569-F571 PolarHBondContact O-N 2.62Å; E569-E572 PolarHBondContact O-N 3.25Å; E569-E573 PolarHBondContact O-N 3.15Å
570	K	94.8	Very high	89.3	Confident	80 Å²	80	57.9 Å²	57.9	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-32.9	176.3	-71.3	174.4	179.9	174.4	0	113.1	W390 S566 K568 K574	W390-K570 HydrophobicContact CB-CD 4.28Å; W390-K570 HydrophobicContact CE3-CB 3.94Å; W390-K570 WeakPolarHBondContact O-CD 3.32Å; W390-K570 PolarHBondContact O-NZ 2.93Å; W390-K570 VanDerWaalsContact O-NZ 3.16Å; S566-K570 WeakPolarHBondContact O-CG 3.48Å; S566-K570 PolarHBondContact O-N 3.26Å; K568-K570 VanDerWaalsContact C-N 3.32Å; K568-K570 PolarHBondContact O-N 3.05Å; K570-K574 WeakPolarHBondContact O-CB 3.32Å; K570-K574 VanDerWaalsContact O-CG 3.24Å; K570-K574 WeakPolarHBondContact O-CG 3.4Å; K570-K574 PolarHBondContact O-N 3.2Å; K570-K574 VanDerWaalsContact O-N 3.1Å
571	F	94.1	Very high	91.7	Very high	15 Å²	15	51.7 Å²	51.7	7%	0.066	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-45.1	173.4	175.1	-97.8	0	0	0	111.2	W390 T529 W563 S567 K568 E569 E573 K574 V575 V706 W707	W390-F571 HydrophobicContact CH2-CB 3.97Å; W390-F571 AromaticContact CH2-CD2 3.91Å; W390-F571 HydrophobicContact CH2-CD2 3.91Å; W390-F571 HydrophobicContact CH2-CG 4.42Å; W390-F571 HydrophobicContact CZ2-CD2 4.41Å; W390-F571 HydrophobicContact CZ3-CB 3.87Å; T529-F571 HydrophobicContact CG2-CE1 4.3Å; T529-F571 HydrophobicContact CG2-CZ 4.34Å; W563-F571 HydrophobicContact CE3-CB 4.43Å; W563-F571 HydrophobicContact CH2-CB 4.04Å; W563-F571 HydrophobicContact CH2-CD1 4.42Å; W563-F571 AromaticContact CH2-CD2 3.57Å; W563-F571 HydrophobicContact CH2-CD2 3.57Å; W563-F571 HydrophobicContact CH2-CE2 4.06Å; W563-F571 AromaticContact CH2-CG 3.76Å; W563-F571 HydrophobicContact CH2-CG 3.76Å; W563-F571 HydrophobicContact CZ3-CB 3.54Å; W563-F571 AromaticContact CZ3-CD2 3.99Å; W563-F571 HydrophobicContact CZ3-CD2 3.99Å; W563-F571 AromaticContact CZ3-CG 3.79Å; W563-F571 HydrophobicContact CZ3-CG 3.79Å; S567-F571 WeakPolarHBondContact O-CB 3.29Å; S567-F571 PolarHBondContact O-N 3.45Å; K568-F571 WeakPolarHBondContact O-CB 3.32Å; K568-F571 PolarHBondContact O-N 3.38Å; K568-F571 VanDerWaalsContact O-N 3.09Å; E569-F571 VanDerWaalsContact C-N 3.32Å; E569-F571 PolarHBondContact O-N 2.62Å; F571-E573 VanDerWaalsContact C-N 3.34Å; F571-E573 PolarHBondContact O-N 2.65Å; F571-K574 PolarHBondContact O-N 3.42Å; F571-K574 VanDerWaalsContact O-N 3.15Å; F571-V575 HydrophobicContact CD1-CG2 3.92Å; F571-V575 HydrophobicContact CD2-CG2 4.46Å; F571-V575 HydrophobicContact CE1-CG2 3.63Å; F571-V575 HydrophobicContact CE2-CG2 4.21Å; F571-V575 HydrophobicContact CG-CG2 4.33Å; F571-V575 HydrophobicContact CZ-CG2 3.79Å; F571-V575 WeakPolarHBondContact O-CG2 3.33Å; F571-V575 PolarHBondContact O-N 2.97Å; F571-V706 HydrophobicContact CD2-CG1 3.77Å; F571-V706 HydrophobicContact CE2-CG1 3.68Å; F571-W707 HydrophobicContact CD2-CZ2 4.19Å; F571-W707 AromaticContact CE2-CZ2 3.82Å; F571-W707 HydrophobicContact CE2-CZ2 3.82Å
572	E	92.5	Very high	93.3	Very high	95 Å²	95	49.7 Å²	49.7	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-59.5	-42.8	175.4	-69.9	174.4	175.1	0	0	111.7	K568 E569 K574 V575 Q576	K568-E572 WeakPolarHBondContact CE-OE1 3.43Å; K568-E572 IonicContact NZ-OE1 3.21Å; K568-E572 PolarHBondContact NZ-OE1 3.32Å; K568-E572 PolarHBondContact O-N 3.05Å; E569-E572 PolarHBondContact O-N 3.25Å; E572-K574 VanDerWaalsContact C-N 3.33Å; E572-K574 PolarHBondContact O-N 3.45Å; E572-V575 PolarHBondContact O-N 3.29Å; E572-Q576 PolarHBondContact O-N 3.07Å
573	E	95.7	Very high	94	Very high	145 Å²	145	51 Å²	51	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-57.7	-44.7	173.3	-174.7	-168.7	160.4	0	0	112	E569 F571 Q576 C577	E569-E573 PolarHBondContact O-N 3.15Å; F571-E573 VanDerWaalsContact C-N 3.34Å; F571-E573 PolarHBondContact O-N 2.65Å; E573-Q576 WeakPolarHBondContact O-CB 3.08Å; E573-Q576 PolarHBondContact O-N 3.43Å; E573-C577 PolarHBondContact O-N 3.29Å
574	K	96.5	Very high	94.5	Very high	51 Å²	51	57.5 Å²	57.5	22%	0.222	29%	0.29	C	S	.	.	H	α-helix	trans	-70.3	-36.9	179.8	-72.7	173.1	167.6	-68.3	0	112.6	W390 K570 F571 E572 Q576 C577 F578 V705 V706	W390-K574 HydrophobicContact CB-CD 4.34Å; W390-K574 VanDerWaalsContact CB-CE 3.49Å; W390-K574 HydrophobicContact CD2-CD 3.86Å; W390-K574 HydrophobicContact CG-CD 3.73Å; K570-K574 WeakPolarHBondContact O-CB 3.32Å; K570-K574 VanDerWaalsContact O-CG 3.24Å; K570-K574 WeakPolarHBondContact O-CG 3.4Å; K570-K574 PolarHBondContact O-N 3.2Å; K570-K574 VanDerWaalsContact O-N 3.1Å; F571-K574 PolarHBondContact O-N 3.42Å; F571-K574 VanDerWaalsContact O-N 3.15Å; E572-K574 VanDerWaalsContact C-N 3.33Å; E572-K574 PolarHBondContact O-N 3.45Å; K574-Q576 VanDerWaalsContact C-N 3.31Å; K574-C577 VanDerWaalsContact O-CB 3.31Å; K574-C577 WeakPolarHBondContact O-CB 3.28Å; K574-C577 PolarHBondContact O-N 3.07Å; K574-F578 WeakPolarHBondContact O-CD2 3.43Å; K574-V705 WeakPolarHBondContact CD-O 3.33Å; K574-V705 PolarHBondContact NZ-O 3.38Å; K574-V706 HydrophobicContact CB-CG2 3.59Å
575	V	95.2	Very high	94.9	Very high	12 Å²	12	56.8 Å²	56.8	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-42.9	171.9	171.7	0	0	0	0	110	T529 F571 E572 C577 F578 V579 K602 I606	T529-V575 HydrophobicContact CG2-CG1 3.81Å; T529-V575 HydrophobicContact CG2-CG2 3.84Å; F571-V575 HydrophobicContact CD1-CG2 3.92Å; F571-V575 HydrophobicContact CD2-CG2 4.46Å; F571-V575 HydrophobicContact CE1-CG2 3.63Å; F571-V575 HydrophobicContact CE2-CG2 4.21Å; F571-V575 HydrophobicContact CG-CG2 4.33Å; F571-V575 HydrophobicContact CZ-CG2 3.79Å; F571-V575 WeakPolarHBondContact O-CG2 3.33Å; F571-V575 PolarHBondContact O-N 2.97Å; E572-V575 PolarHBondContact O-N 3.29Å; V575-C577 VanDerWaalsContact C-N 3.26Å; V575-C577 PolarHBondContact O-N 2.93Å; V575-F578 WeakPolarHBondContact O-CB 3.41Å; V575-F578 PolarHBondContact O-N 3.43Å; V575-V579 HydrophobicContact CG1-CG2 4.4Å; V575-V579 PolarHBondContact O-N 3.13Å; V575-K602 HydrophobicContact CG1-CB 4.39Å; V575-K602 HydrophobicContact CG1-CD 3.95Å; V575-I606 HydrophobicContact CB-CD1 4.36Å; V575-I606 HydrophobicContact CG1-CD1 4.27Å; V575-I606 HydrophobicContact CG2-CD1 3.69Å
576	Q	96.9	Very high	95.2	Very high	91 Å²	91	54.3 Å²	54.3	43%	0.425	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-35.9	178.6	-170.2	60.3	48.6	0	0	112.1	E572 E573 K574 F578 V579 D580	E572-Q576 PolarHBondContact O-N 3.07Å; E573-Q576 WeakPolarHBondContact O-CB 3.08Å; E573-Q576 PolarHBondContact O-N 3.43Å; K574-Q576 VanDerWaalsContact C-N 3.31Å; Q576-F578 VanDerWaalsContact C-N 3.29Å; Q576-F578 PolarHBondContact O-N 3.24Å; Q576-V579 PolarHBondContact O-N 3.35Å; Q576-D580 PolarHBondContact NE2-OD1 3.13Å; Q576-D580 PolarHBondContact O-N 2.94Å
577	C	98.1	Very high	95.2	Very high	19 Å²	19	52.1 Å²	52.1	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-55.1	-45.2	172.2	-170.4	0	0	0	0	111.9	E573 K574 V575 D580 Q581 C704	E573-C577 PolarHBondContact O-N 3.29Å; K574-C577 VanDerWaalsContact O-CB 3.31Å; K574-C577 WeakPolarHBondContact O-CB 3.28Å; K574-C577 PolarHBondContact O-N 3.07Å; V575-C577 VanDerWaalsContact C-N 3.26Å; V575-C577 PolarHBondContact O-N 2.93Å; C577-D580 PolarHBondContact O-N 2.76Å; C577-Q581 WeakPolarHBondContact O-CB 3.37Å; C577-Q581 PolarHBondContact O-N 2.79Å; C577-C704 HydrophobicContact CB-CB 3.82Å; C577-C704 WeakPolarHBondContact CB-SG 3.47Å; C577-C704 PolarHBondContact O-SG 2.62Å; C577-C704 WeakPolarHBondContact SG-CA 3.48Å; C577-C704 WeakPolarHBondContact SG-CB 3.41Å; C577-C704 CovalentContact SG-SG 2.05Å; C577-C704 PolarHBondContact SG-SG 2.97Å
578	F	97.9	Very high	95.1	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-41.5	177.2	-78.4	-79.3	0	0	0	112.2	K574 V575 Q576 D580 Q581 Y582 N605 I606 N609 N682 C704 V706	K574-F578 WeakPolarHBondContact O-CD2 3.43Å; V575-F578 WeakPolarHBondContact O-CB 3.41Å; V575-F578 PolarHBondContact O-N 3.43Å; Q576-F578 VanDerWaalsContact C-N 3.29Å; Q576-F578 PolarHBondContact O-N 3.24Å; F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 3.1Å; F578-Q581 PolarHBondContact O-N 3.09Å; F578-Y582 HydrophobicContact CD1-CD2 4.26Å; F578-Y582 AromaticContact CD1-CE2 3.79Å; F578-Y582 HydrophobicContact CD1-CE2 3.79Å; F578-Y582 HydrophobicContact CE1-CE2 4.39Å; F578-Y582 WeakPolarHBondContact O-CB 3.39Å; F578-Y582 VanDerWaalsContact O-CD2 3.3Å; F578-Y582 WeakPolarHBondContact O-CD2 3.38Å; F578-Y582 PolarHBondContact O-N 2.95Å; F578-N605 HydrophobicContact CD1-CB 4.39Å; F578-I606 HydrophobicContact CD2-CG1 4.01Å; F578-I606 HydrophobicContact CE2-CG1 4.43Å; F578-I606 HydrophobicContact CG-CG1 4.22Å; F578-N609 HydrophobicContact CE1-CB 3.79Å; F578-N609 HydrophobicContact CZ-CB 3.81Å; F578-N682 WeakPolarHBondContact CE1-ND2 3.33Å; F578-C704 HydrophobicContact CD1-CB 4.07Å; F578-C704 HydrophobicContact CD2-CB 3.88Å; F578-C704 HydrophobicContact CE1-CB 3.86Å; F578-C704 HydrophobicContact CE2-CB 3.65Å; F578-C704 HydrophobicContact CG-CB 4.07Å; F578-C704 HydrophobicContact CZ-CB 3.64Å; F578-C704 WeakPolarHBondContact CZ-O 3.35Å; F578-V706 HydrophobicContact CD2-CG2 4.02Å; F578-V706 HydrophobicContact CE2-CB 4.41Å; F578-V706 HydrophobicContact CE2-CG2 3.68Å
579	V	96.7	Very high	95	Very high	12 Å²	12	59.7 Å²	59.7	7%	0.073	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-48.4	175.4	172.7	0	0	0	0	110.2	V575 Q576 S583 E599 K602	V575-V579 HydrophobicContact CG1-CG2 4.4Å; V575-V579 PolarHBondContact O-N 3.13Å; Q576-V579 PolarHBondContact O-N 3.35Å; V579-S583 VanDerWaalsContact O-CB 3.29Å; V579-S583 WeakPolarHBondContact O-CB 3.35Å; V579-S583 PolarHBondContact O-N 3.38Å; V579-S583 VanDerWaalsContact O-N 3.08Å; V579-S583 PolarHBondContact O-OG 3.41Å; V579-E599 HydrophobicContact CG1-CB 4.49Å; V579-E599 WeakPolarHBondContact CG2-OE2 3.48Å; V579-K602 HydrophobicContact CG2-CB 3.99Å; V579-K602 HydrophobicContact CG2-CD 4.13Å
580	D	98	Very high	94.9	Very high	67 Å²	67	55 Å²	55	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-62.3	-53.3	178.7	-64.4	-13.8	0	0	0	110.5	Q576 C577 F578 Y582 S583 H584	Q576-D580 PolarHBondContact NE2-OD1 3.13Å; Q576-D580 PolarHBondContact O-N 2.94Å; C577-D580 PolarHBondContact O-N 2.76Å; F578-D580 VanDerWaalsContact C-N 3.32Å; F578-D580 PolarHBondContact O-N 3.1Å; D580-Y582 PolarHBondContact O-N 3.3Å; D580-S583 PolarHBondContact O-N 3.38Å; D580-H584 PolarHBondContact O-CE1 2.83Å; D580-H584 PolarHBondContact O-ND1 2.77Å
581	Q	98.1	Very high	94.4	Very high	29 Å²	29	52.8 Å²	52.8	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-55.6	-51.5	-178.5	-177.6	-167.9	11.9	0	0	111.2	C577 F578 S583 H584 F585 G678 Q681 N682	C577-Q581 WeakPolarHBondContact O-CB 3.37Å; C577-Q581 PolarHBondContact O-N 2.79Å; F578-Q581 PolarHBondContact O-N 3.09Å; Q581-S583 VanDerWaalsContact C-N 3.3Å; Q581-S583 PolarHBondContact O-N 3.08Å; Q581-H584 PolarHBondContact O-N 3.14Å; Q581-F585 HydrophobicContact CG-CE2 4.46Å; Q581-G678 PolarHBondContact NE2-O 2.98Å; Q581-Q681 VanDerWaalsContact NE2-OE1 3.13Å; Q581-N682 PolarHBondContact NE2-ND2 2.9Å; Q581-N682 PolarHBondContact NE2-OD1 2.71Å; Q581-N682 PolarHBondContact OE1-ND2 3.31Å
582	Y	97.7	Very high	93.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-72.1	-27.9	-173.2	-80.8	-108.1	0	0	0	112.5	F578 D580 H584 F585 V596 N605 N609 A670 T674	F578-Y582 HydrophobicContact CD1-CD2 4.26Å; F578-Y582 AromaticContact CD1-CE2 3.79Å; F578-Y582 HydrophobicContact CD1-CE2 3.79Å; F578-Y582 HydrophobicContact CE1-CE2 4.39Å; F578-Y582 WeakPolarHBondContact O-CB 3.39Å; F578-Y582 VanDerWaalsContact O-CD2 3.3Å; F578-Y582 WeakPolarHBondContact O-CD2 3.38Å; F578-Y582 PolarHBondContact O-N 2.95Å; D580-Y582 PolarHBondContact O-N 3.3Å; Y582-H584 PolarHBondContact O-N 3.18Å; Y582-F585 HydrophobicContact CD1-CD2 4.16Å; Y582-F585 HydrophobicContact CD1-CE2 4.2Å; Y582-F585 HydrophobicContact CG-CD2 4.29Å; Y582-F585 HydrophobicContact CG-CE2 4.25Å; Y582-F585 PolarHBondContact O-N 2.9Å; Y582-F585 VanDerWaalsContact O-N 3.12Å; Y582-V596 WeakPolarHBondContact O-CB 3.32Å; Y582-N605 HydrophobicContact CD1-CB 4.21Å; Y582-N605 WeakPolarHBondContact CD1-ND2 3.43Å; Y582-N605 WeakPolarHBondContact CD1-OD1 3.49Å; Y582-N605 HydrophobicContact CD2-CB 4.09Å; Y582-N605 HydrophobicContact CE1-CB 3.88Å; Y582-N605 WeakPolarHBondContact CE1-OD1 3.29Å; Y582-N605 HydrophobicContact CE2-CB 3.78Å; Y582-N605 HydrophobicContact CG-CB 4.29Å; Y582-N609 PolarHBondContact OH-ND2 3.42Å; Y582-N609 VanDerWaalsContact OH-ND2 3.09Å; Y582-A670 HydrophobicContact CD1-CB 4.13Å; Y582-A670 HydrophobicContact CE1-CB 4.26Å; Y582-T674 HydrophobicContact CD1-CG2 3.53Å; Y582-T674 HydrophobicContact CE1-CG2 3.69Å
583	S	96.9	Very high	93.1	Very high	49 Å²	49	62.2 Å²	62.2	34%	0.343	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-14	175.3	-57.6	0	0	0	0	114	V579 D580 Q581 V596 G598	V579-S583 VanDerWaalsContact O-CB 3.29Å; V579-S583 WeakPolarHBondContact O-CB 3.35Å; V579-S583 PolarHBondContact O-N 3.38Å; V579-S583 VanDerWaalsContact O-N 3.08Å; V579-S583 PolarHBondContact O-OG 3.41Å; D580-S583 PolarHBondContact O-N 3.38Å; Q581-S583 VanDerWaalsContact C-N 3.3Å; Q581-S583 PolarHBondContact O-N 3.08Å; S583-V596 WeakPolarHBondContact CA-O 3.37Å; S583-G598 WeakPolarHBondContact OG-CA 3.46Å; S583-G598 PolarHBondContact OG-N 3.18Å
584	H	95.6	Very high	92.8	Very high	151 Å²	151	56.6 Å²	56.6	70%	0.699	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.7	174.5	-69.5	84.3	0	0	0	113.6	D580 Q581 Y582 C586	D580-H584 PolarHBondContact O-CE1 2.83Å; D580-H584 PolarHBondContact O-ND1 2.77Å; Q581-H584 PolarHBondContact O-N 3.14Å; Y582-H584 PolarHBondContact O-N 3.18Å; H584-C586 PolarHBondContact O-N 3.2Å
585	F	94.8	Very high	92.7	Very high	27 Å²	27	55.8 Å²	55.8	12%	0.118	31%	0.31	C	S	.	.			trans	-80.4	103.3	174	-66.1	-64.7	0	0	0	110.3	Q581 Y582 C595 V596 T674 V677	Q581-F585 HydrophobicContact CG-CE2 4.46Å; Y582-F585 HydrophobicContact CD1-CD2 4.16Å; Y582-F585 HydrophobicContact CD1-CE2 4.2Å; Y582-F585 HydrophobicContact CG-CD2 4.29Å; Y582-F585 HydrophobicContact CG-CE2 4.25Å; Y582-F585 PolarHBondContact O-N 2.9Å; Y582-F585 VanDerWaalsContact O-N 3.12Å; F585-C595 CarbonylContact O-C 3.27Å; F585-C595 VanDerWaalsContact O-CA 3.3Å; F585-C595 WeakPolarHBondContact O-CA 3.35Å; F585-V596 HydrophobicContact CB-CG2 4.07Å; F585-V596 PolarHBondContact O-N 3.2Å; F585-T674 HydrophobicContact CB-CG2 4.06Å; F585-T674 HydrophobicContact CD2-CG2 3.26Å; F585-T674 HydrophobicContact CE2-CG2 3.76Å; F585-T674 HydrophobicContact CG-CG2 3.71Å; F585-V677 HydrophobicContact CE1-CG1 3.92Å; F585-V677 HydrophobicContact CZ-CG1 4.2Å
586	C	94.4	Very high	92.7	Very high	61 Å²	61	55.5 Å²	55.5	41%	0.412	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-107.8	152.6	178.9	-52.7	0	0	0	0	112.1	H584 P588 V594 C595	H584-C586 PolarHBondContact O-N 3.2Å; C586-P588 WeakPolarHBondContact O-CD 3.32Å; C586-V594 WeakPolarHBondContact CA-O 3.41Å; C586-C595 HydrophobicContact CB-CB 3.99Å; C586-C595 WeakPolarHBondContact CB-SG 3.38Å; C586-C595 WeakPolarHBondContact SG-CB 3.31Å; C586-C595 CovalentContact SG-SG 2.04Å; C586-C595 PolarHBondContact SG-SG 3.05Å
587	Y	92.5	Very high	92.5	Very high	13 Å²	13	54.1 Å²	54.1	5%	0.051	30%	0.301	C	S	.	.			trans	-121.6	80.6	-178.1	-70.5	-92.3	0	0	0	109.4	E589 L590 V594 V596 L660 I664 P671 T674	Y587-E589 WeakPolarHBondContact CA-OE2 3.19Å; Y587-E589 PolarHBondContact O-N 3.49Å; Y587-E589 VanDerWaalsContact O-N 3.14Å; Y587-L590 WeakPolarHBondContact O-CB 3.5Å; Y587-L590 PolarHBondContact O-N 3.43Å; Y587-V594 PolarHBondContact N-O 3.26Å; Y587-V596 HydrophobicContact CE2-CG2 3.84Å; Y587-L660 HydrophobicContact CD1-CD2 3.63Å; Y587-L660 HydrophobicContact CE1-CD2 4Å; Y587-L660 HydrophobicContact CG-CD2 4.26Å; Y587-I664 HydrophobicContact CD2-CD1 3.59Å; Y587-I664 HydrophobicContact CE2-CD1 4.19Å; Y587-I664 HydrophobicContact CG-CD1 3.99Å; Y587-P671 HydrophobicContact CE2-CG 3.93Å; Y587-P671 WeakPolarHBondContact OH-CB 3.5Å; Y587-T674 PolarHBondContact OH-OG1 3.01Å
588	P	89.9	Confident	92.4	Very high	100 Å²	100	53.3 Å²	53.3	65%	0.649	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.3	-174.1	-24.1	34.5	0	0	0	114.3	C586 L590 G591	C586-P588 WeakPolarHBondContact O-CD 3.32Å; P588-L590 PolarHBondContact O-N 3.18Å; P588-L590 VanDerWaalsContact O-N 3.14Å; P588-G591 PolarHBondContact O-N 3.29Å
589	E	88.2	Confident	92.1	Very high	108 Å²	108	56.5 Å²	56.5	51%	0.505	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-63.2	-13.8	176	65.6	-89.7	-146.7	0	0	113.9	Y587 N657	Y587-E589 WeakPolarHBondContact CA-OE2 3.19Å; Y587-E589 PolarHBondContact O-N 3.49Å; Y587-E589 VanDerWaalsContact O-N 3.14Å; E589-N657 PolarHBondContact O-ND2 3.31Å
590	L	89	Confident	91.8	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.157	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-99.1	-3.9	176.4	-53.3	-176.1	0	0	0	113.3	Y587 P588 V594 N657 L660 H661 I664	Y587-L590 WeakPolarHBondContact O-CB 3.5Å; Y587-L590 PolarHBondContact O-N 3.43Å; P588-L590 PolarHBondContact O-N 3.18Å; P588-L590 VanDerWaalsContact O-N 3.14Å; L590-V594 HydrophobicContact CB-CB 4.05Å; L590-V594 HydrophobicContact CB-CG1 3.94Å; L590-V594 HydrophobicContact CB-CG2 4.11Å; L590-V594 HydrophobicContact CD1-CG1 3.92Å; L590-N657 HydrophobicContact CD2-CB 3.53Å; L590-N657 VanDerWaalsContact CD2-O 3.29Å; L590-N657 WeakPolarHBondContact CD2-O 3.41Å; L590-L660 HydrophobicContact CD1-CB 4.15Å; L590-L660 HydrophobicContact CD1-CD2 3.94Å; L590-L660 HydrophobicContact CD1-CG 3.81Å; L590-L660 HydrophobicContact CD2-CB 4.49Å; L590-L660 HydrophobicContact CD2-CD2 4.45Å; L590-L660 HydrophobicContact CG-CD2 4.44Å; L590-H661 HydrophobicContact CD1-CB 4.26Å; L590-I664 HydrophobicContact CD1-CD1 3.66Å
591	G	84.1	Confident	91.6	Very high	32 Å²	32	53.5 Å²	53.5	33%	0.33	29%	0.294	S	S	.	.			trans	117.7	169.2	-176.2	0	0	0	0	0	113.2	P588 N593 V594	P588-G591 PolarHBondContact O-N 3.29Å; G591-N593 PolarHBondContact O-N 2.85Å; G591-V594 PolarHBondContact O-N 3.12Å
592	D	77.9	Confident	91.4	Very high	156 Å²	156	53.5 Å²	53.5	83%	0.834	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	134.1	-178.2	-61.8	-27.9	0	0	0	111.2	V594	D592-V594 VanDerWaalsContact C-N 3.27Å; D592-V594 PolarHBondContact O-N 2.86Å
593	N	81.1	Confident	91.2	Very high	153 Å²	153	54.3 Å²	54.3	82%	0.818	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	25.1	175.8	-53.1	-44	0	0	0	115.5	G591 C595	G591-N593 PolarHBondContact O-N 2.85Å; N593-C595 PolarHBondContact O-N 3.28Å
594	V	89.8	Confident	91.2	Very high	26 Å²	26	52.8 Å²	52.8	16%	0.158	29%	0.289	C	S	.	.			trans	-81	93.4	168.4	-176.1	0	0	0	0	109	C586 Y587 L590 G591 D592 I664	C586-V594 WeakPolarHBondContact CA-O 3.41Å; Y587-V594 PolarHBondContact N-O 3.26Å; L590-V594 HydrophobicContact CB-CB 4.05Å; L590-V594 HydrophobicContact CB-CG1 3.94Å; L590-V594 HydrophobicContact CB-CG2 4.11Å; L590-V594 HydrophobicContact CD1-CG1 3.92Å; G591-V594 PolarHBondContact O-N 3.12Å; D592-V594 VanDerWaalsContact C-N 3.27Å; D592-V594 PolarHBondContact O-N 2.86Å; V594-I664 HydrophobicContact CG1-CD1 3.99Å; V594-I664 HydrophobicContact CG1-CG2 4.24Å
595	C	94.4	Very high	91.3	Very high	34 Å²	34	45.6 Å²	45.6	23%	0.23	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-116.8	156.7	-179.6	-44.4	0	0	0	0	111.8	F585 C586 N593 K597 I664	F585-C595 CarbonylContact O-C 3.27Å; F585-C595 VanDerWaalsContact O-CA 3.3Å; F585-C595 WeakPolarHBondContact O-CA 3.35Å; C586-C595 HydrophobicContact CB-CB 3.99Å; C586-C595 WeakPolarHBondContact CB-SG 3.38Å; C586-C595 WeakPolarHBondContact SG-CB 3.31Å; C586-C595 CovalentContact SG-SG 2.04Å; C586-C595 PolarHBondContact SG-SG 3.05Å; N593-C595 PolarHBondContact O-N 3.28Å; C595-K597 PolarHBondContact O-N 3.47Å; C595-I664 WeakPolarHBondContact O-CG2 3.34Å
596	V	95.4	Very high	91.4	Very high	6 Å²	6	44.3 Å²	44.3	4%	0.036	25%	0.25	C	S	.	.			trans	-58.1	133.8	175.3	173.8	0	0	0	0	109.1	Y582 S583 F585 Y587 G598 T601 A670 P671 T674	Y582-V596 WeakPolarHBondContact O-CB 3.32Å; S583-V596 WeakPolarHBondContact CA-O 3.37Å; F585-V596 HydrophobicContact CB-CG2 4.07Å; F585-V596 PolarHBondContact O-N 3.2Å; Y587-V596 HydrophobicContact CE2-CG2 3.84Å; V596-G598 PolarHBondContact O-N 2.99Å; V596-T601 HydrophobicContact CG1-CG2 3.82Å; V596-A670 HydrophobicContact CG1-CB 4.21Å; V596-P671 HydrophobicContact CG2-CG 4.46Å; V596-T674 HydrophobicContact CG2-CG2 4.37Å
597	K	92.6	Very high	91.6	Very high	63 Å²	63	41.5 Å²	41.5	27%	0.274	23%	0.231	S	C	.	.			trans	-78	89.7	173.9	-62.7	178.2	-176	175.9	0	108.6	D164 C595 E599 N600 T601 N665	D164-K597 IonicContact OD2-NZ 2.76Å; D164-K597 PolarHBondContact OD2-NZ 3.46Å; C595-K597 PolarHBondContact O-N 3.47Å; K597-E599 PolarHBondContact O-N 2.9Å; K597-E599 VanDerWaalsContact O-N 3.17Å; K597-N600 HydrophobicContact CB-CB 3.87Å; K597-N600 PolarHBondContact O-N 3.06Å; K597-T601 PolarHBondContact O-N 3.49Å; K597-T601 PolarHBondContact O-OG1 2.78Å; K597-T601 VanDerWaalsContact O-OG1 3.06Å; K597-N665 PolarHBondContact NZ-O 3.37Å; K597-N665 PolarHBondContact NZ-OD1 3.26Å
598	G	94.8	Very high	91.9	Very high	1 Å²	1	41 Å²	41	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-52.9	-37	-178.4	0	0	0	0	0	113.1	S583 V596 N600 T601 K602	S583-G598 WeakPolarHBondContact OG-CA 3.46Å; S583-G598 PolarHBondContact OG-N 3.18Å; V596-G598 PolarHBondContact O-N 2.99Å; G598-N600 PolarHBondContact O-N 2.66Å; G598-T601 WeakPolarHBondContact CA-OG1 3.46Å; G598-T601 PolarHBondContact O-N 3.34Å; G598-T601 PolarHBondContact O-OG1 2.84Å; G598-K602 WeakPolarHBondContact O-CB 3.45Å; G598-K602 PolarHBondContact O-N 3.12Å
599	E	91.5	Very high	92.3	Very high	69 Å²	69	36.5 Å²	36.5	32%	0.322	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-38.5	176.7	-170.6	59.4	-156.1	0	0	113.1	D227 V579 K597 K602	D227-E599 HydrophobicContact CB-CG 4.36Å; V579-E599 HydrophobicContact CG1-CB 4.49Å; V579-E599 WeakPolarHBondContact CG2-OE2 3.48Å; K597-E599 PolarHBondContact O-N 2.9Å; K597-E599 VanDerWaalsContact O-N 3.17Å; E599-K602 WeakPolarHBondContact O-CD 3.28Å; E599-K602 WeakPolarHBondContact O-CG 3.37Å; E599-K602 IonicContact OE1-NZ 3.44Å; E599-K602 PolarHBondContact OE1-NZ 3.03Å; E599-K602 IonicContact OE2-NZ 3.3Å
600	N	90.5	Very high	92.7	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.059	18%	0.176	C	C	.	.	H	α-helix	trans	-74.2	-33.5	177.7	-173.3	45.9	0	0	0	111.9	K230 K597 G598 N667	K230-N600 PolarHBondContact NZ-OD1 3.22Å; K597-N600 HydrophobicContact CB-CB 3.87Å; K597-N600 PolarHBondContact O-N 3.06Å; G598-N600 PolarHBondContact O-N 2.66Å; N600-N667 PolarHBondContact ND2-O 3.45Å
601	T	94.7	Very high	93.2	Very high	4 Å²	4	30 Å²	30	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-94.6	-8	-172.8	57.6	0	0	0	0	114.9	V596 K597 G598 G603 E604 N605 E668 A670	V596-T601 HydrophobicContact CG1-CG2 3.82Å; K597-T601 PolarHBondContact O-N 3.49Å; K597-T601 PolarHBondContact O-OG1 2.78Å; K597-T601 VanDerWaalsContact O-OG1 3.06Å; G598-T601 WeakPolarHBondContact CA-OG1 3.46Å; G598-T601 PolarHBondContact O-N 3.34Å; G598-T601 PolarHBondContact O-OG1 2.84Å; T601-G603 PolarHBondContact O-N 2.91Å; T601-E604 PolarHBondContact O-N 3.35Å; T601-E604 VanDerWaalsContact O-N 3.07Å; T601-N605 VanDerWaalsContact C-ND2 3.32Å; T601-N605 WeakPolarHBondContact CB-ND2 3.29Å; T601-N605 PolarHBondContact O-N 3.16Å; T601-N605 PolarHBondContact O-ND2 3.42Å; T601-N605 PolarHBondContact O-OD1 2.95Å; T601-N605 PolarHBondContact OG1-ND2 3.42Å; T601-E668 WeakPolarHBondContact CA-O 3.33Å; T601-E668 WeakPolarHBondContact CB-O 3.47Å; T601-E668 WeakPolarHBondContact CG2-O 3.43Å; T601-A670 HydrophobicContact CG2-CB 4.34Å
602	K	94.2	Very high	93.8	Very high	30 Å²	30	28.5 Å²	28.5	13%	0.13	15%	0.153	C	C	.	.	H	α-helix	trans	-50.9	-37.5	-174.4	67.1	-171.5	179.2	179.5	0	114.9	T529 V575 V579 G598 E599 I606	T529-K602 HydrophobicContact CG2-CD 4.14Å; T529-K602 HydrophobicContact CG2-CG 4.16Å; V575-K602 HydrophobicContact CG1-CB 4.39Å; V575-K602 HydrophobicContact CG1-CD 3.95Å; V579-K602 HydrophobicContact CG2-CB 3.99Å; V579-K602 HydrophobicContact CG2-CD 4.13Å; G598-K602 WeakPolarHBondContact O-CB 3.45Å; G598-K602 PolarHBondContact O-N 3.12Å; E599-K602 WeakPolarHBondContact O-CD 3.28Å; E599-K602 WeakPolarHBondContact O-CG 3.37Å; E599-K602 IonicContact OE1-NZ 3.44Å; E599-K602 PolarHBondContact OE1-NZ 3.03Å; E599-K602 IonicContact OE2-NZ 3.3Å; K602-I606 WeakPolarHBondContact O-CB 3.13Å; K602-I606 VanDerWaalsContact O-CD1 3.3Å; K602-I606 WeakPolarHBondContact O-CD1 3.4Å; K602-I606 WeakPolarHBondContact O-CG1 3.47Å; K602-I606 PolarHBondContact O-N 3.46Å
603	G	93.4	Very high	94.8	Very high	16 Å²	16	22.3 Å²	22.3	17%	0.165	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-49.5	179.5	0	0	0	0	0	112	T601 A607	T601-G603 PolarHBondContact O-N 2.91Å; G603-A607 WeakPolarHBondContact O-CB 3.25Å; G603-A607 PolarHBondContact O-N 3.11Å; G603-A607 VanDerWaalsContact O-N 3.12Å
604	E	96.7	Very high	95.6	Very high	17 Å²	17	15 Å²	15	8%	0.079	8%	0.08	C	C	.	.	H	α-helix	trans	-68.1	-41.7	178.6	-57.1	-49.1	131.4	0	0	111.8	H521 H525 T601 I606 A607 D608 E668 H669	H521-E604 IonicContact CE1-OE2 3.53Å; H521-E604 PolarHBondContact CE1-OE2 2.89Å; H521-E604 IonicContact NE2-OE2 2.74Å; H521-E604 PolarHBondContact NE2-OE2 3.35Å; H525-E604 IonicContact CE1-OE1 3.47Å; H525-E604 PolarHBondContact CE1-OE1 2.76Å; H525-E604 VanDerWaalsContact CE1-OE1 3.25Å; H525-E604 IonicContact CE1-OE2 3.99Å; H525-E604 PolarHBondContact CE1-OE2 3.31Å; H525-E604 IonicContact NE2-OE1 2.73Å; H525-E604 IonicContact NE2-OE2 3.35Å; H525-E604 PolarHBondContact NE2-OE2 3.47Å; T601-E604 PolarHBondContact O-N 3.35Å; T601-E604 VanDerWaalsContact O-N 3.07Å; E604-I606 VanDerWaalsContact C-N 3.33Å; E604-I606 PolarHBondContact O-N 3.23Å; E604-A607 PolarHBondContact O-N 3.28Å; E604-A607 VanDerWaalsContact O-N 3.13Å; E604-D608 PolarHBondContact O-N 3.49Å; E604-E668 HydrophobicContact CG-CB 4.25Å; E604-E668 HydrophobicContact CG-CG 3.98Å; E604-E668 WeakPolarHBondContact CG-O 3.28Å; E604-H669 HydrophobicContact CG-CB 4.49Å; E604-H669 IonicContact OE2-CD2 3.45Å; E604-H669 PolarHBondContact OE2-CD2 3.34Å; E604-H669 VanDerWaalsContact OE2-CD2 3.3Å; E604-H669 IonicContact OE2-NE2 3.18Å; E604-H669 PolarHBondContact OE2-NE2 2.97Å
605	N	97.7	Very high	96	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.6	-41.3	179.3	-58.1	-20.4	0	0	0	111.4	F578 Y582 T601 N609	F578-N605 HydrophobicContact CD1-CB 4.39Å; Y582-N605 HydrophobicContact CD1-CB 4.21Å; Y582-N605 WeakPolarHBondContact CD1-ND2 3.43Å; Y582-N605 WeakPolarHBondContact CD1-OD1 3.49Å; Y582-N605 HydrophobicContact CD2-CB 4.09Å; Y582-N605 HydrophobicContact CE1-CB 3.88Å; Y582-N605 WeakPolarHBondContact CE1-OD1 3.29Å; Y582-N605 HydrophobicContact CE2-CB 3.78Å; Y582-N605 HydrophobicContact CG-CB 4.29Å; T601-N605 VanDerWaalsContact C-ND2 3.32Å; T601-N605 WeakPolarHBondContact CB-ND2 3.29Å; T601-N605 PolarHBondContact O-N 3.16Å; T601-N605 PolarHBondContact O-ND2 3.42Å; T601-N605 PolarHBondContact O-OD1 2.95Å; T601-N605 PolarHBondContact OG1-ND2 3.42Å; N605-N609 WeakPolarHBondContact O-CB 3.46Å; N605-N609 PolarHBondContact O-N 2.54Å; N605-N609 VanDerWaalsContact O-N 3.14Å; N605-N609 PolarHBondContact O-ND2 2.89Å
606	I	97.5	Very high	96.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-65.7	-41.2	175.1	-70.3	164.3	0	0	0	110.5	T524 T529 V575 F578 K602 E604 N609 G610	T524-I606 HydrophobicContact CG2-CG2 4.25Å; T529-I606 HydrophobicContact CG2-CD1 3.94Å; V575-I606 HydrophobicContact CB-CD1 4.36Å; V575-I606 HydrophobicContact CG1-CD1 4.27Å; V575-I606 HydrophobicContact CG2-CD1 3.69Å; F578-I606 HydrophobicContact CD2-CG1 4.01Å; F578-I606 HydrophobicContact CE2-CG1 4.43Å; F578-I606 HydrophobicContact CG-CG1 4.22Å; K602-I606 WeakPolarHBondContact O-CB 3.13Å; K602-I606 VanDerWaalsContact O-CD1 3.3Å; K602-I606 WeakPolarHBondContact O-CD1 3.4Å; K602-I606 WeakPolarHBondContact O-CG1 3.47Å; K602-I606 PolarHBondContact O-N 3.46Å; E604-I606 VanDerWaalsContact C-N 3.33Å; E604-I606 PolarHBondContact O-N 3.23Å; I606-N609 PolarHBondContact O-N 2.93Å; I606-G610 PolarHBondContact O-N 2.96Å
607	A	98	Very high	96.3	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-64	-43.1	178.7	0	0	0	0	0	112.3	H521 G603 E604 N609 G611	H521-A607 WeakPolarHBondContact CE1-CB 3.45Å; H521-A607 WeakPolarHBondContact ND1-CB 3.27Å; G603-A607 WeakPolarHBondContact O-CB 3.25Å; G603-A607 PolarHBondContact O-N 3.11Å; G603-A607 VanDerWaalsContact O-N 3.12Å; E604-A607 PolarHBondContact O-N 3.28Å; E604-A607 VanDerWaalsContact O-N 3.13Å; A607-N609 PolarHBondContact O-N 3.44Å; A607-G611 WeakPolarHBondContact O-CA 3.28Å; A607-G611 PolarHBondContact O-N 3.4Å
608	D	98.3	Very high	96.6	Very high	3 Å²	3	10.4 Å²	10.4	2%	0.016	6%	0.057	C	C	.	.	H	α-helix	trans	-60	-45.4	174	-73.3	-21.5	0	0	0	112.3	H521 E604 I612 Y651 R675 T679	H521-D608 IonicContact CE1-OD1 3.79Å; H521-D608 PolarHBondContact CE1-OD1 2.63Å; H521-D608 VanDerWaalsContact CE1-OD1 3.24Å; H521-D608 IonicContact CG-OD1 2.61Å; H521-D608 PolarHBondContact ND1-N 3.4Å; H521-D608 IonicContact ND1-OD1 3.12Å; H521-D608 PolarHBondContact ND1-OD1 3.33Å; E604-D608 PolarHBondContact O-N 3.49Å; D608-I612 WeakPolarHBondContact O-CG2 3.47Å; D608-I612 PolarHBondContact O-N 3.23Å; D608-I612 VanDerWaalsContact O-N 3.15Å; D608-Y651 PolarHBondContact OD1-OH 3.06Å; D608-R675 IonicContact OD1-CZ 2.98Å; D608-R675 IonicContact OD1-NE 3.77Å; D608-R675 IonicContact OD1-NH2 2.98Å; D608-R675 PolarHBondContact OD1-NH2 2.82Å; D608-R675 IonicContact OD2-CZ 2.69Å; D608-R675 IonicContact OD2-NE 3.13Å; D608-R675 PolarHBondContact OD2-NE 3.31Å; D608-R675 IonicContact OD2-NH2 3.91Å; D608-R675 PolarHBondContact OD2-NH2 2.9Å; D608-T679 WeakPolarHBondContact CB-OG1 3.4Å
609	N	98.4	Very high	96.7	Very high	5 Å²	5	10.3 Å²	10.3	3%	0.027	6%	0.056	C	C	.	.	H	α-helix	trans	-71.8	-37.3	-176	-81.2	-104.1	0	0	0	112.7	F578 Y582 N605 I606 A607 K613 T679 N682	F578-N609 HydrophobicContact CE1-CB 3.79Å; F578-N609 HydrophobicContact CZ-CB 3.81Å; Y582-N609 PolarHBondContact OH-ND2 3.42Å; Y582-N609 VanDerWaalsContact OH-ND2 3.09Å; N605-N609 WeakPolarHBondContact O-CB 3.46Å; N605-N609 PolarHBondContact O-N 2.54Å; N605-N609 VanDerWaalsContact O-N 3.14Å; N605-N609 PolarHBondContact O-ND2 2.89Å; I606-N609 PolarHBondContact O-N 2.93Å; A607-N609 PolarHBondContact O-N 3.44Å; N609-K613 WeakPolarHBondContact O-CD 3.37Å; N609-K613 WeakPolarHBondContact O-CG 3.39Å; N609-T679 PolarHBondContact ND2-OG1 3.2Å; N609-T679 WeakPolarHBondContact OD1-CA 3.38Å; N609-N682 VanDerWaalsContact OD1-CB 3.26Å; N609-N682 WeakPolarHBondContact OD1-CB 3.4Å; N609-N682 PolarHBondContact OD1-ND2 3.12Å
610	G	97.6	Very high	97	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-73.4	-42.2	173.1	0	0	0	0	0	112.2	I606 K613 Q614	I606-G610 PolarHBondContact O-N 2.96Å; G610-K613 PolarHBondContact O-N 2.95Å; G610-Q614 WeakPolarHBondContact O-CB 3.47Å; G610-Q614 VanDerWaalsContact O-CG 3.24Å; G610-Q614 WeakPolarHBondContact O-CG 3.42Å; G610-Q614 PolarHBondContact O-N 3.46Å; G610-Q614 PolarHBondContact O-NE2 3.19Å
611	G	98	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.4	-45.4	-175.2	0	0	0	0	0	113.4	G520 T524 A607 K613 Q614 S615	G520-G611 WeakPolarHBondContact O-CA 3.42Å; T524-G611 PolarHBondContact OG1-N 2.91Å; A607-G611 WeakPolarHBondContact O-CA 3.28Å; A607-G611 PolarHBondContact O-N 3.4Å; G611-K613 VanDerWaalsContact C-N 3.33Å; G611-K613 PolarHBondContact O-N 2.94Å; G611-Q614 PolarHBondContact O-N 3.23Å; G611-S615 WeakPolarHBondContact O-CB 3.2Å; G611-S615 PolarHBondContact O-N 3.14Å
612	I	98.3	Very high	97.3	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.6	-37.3	176.5	-161.9	179.4	0	0	0	112.1	D608 S615 F616 F643 F644 F647 T679 L680 F683	D608-I612 WeakPolarHBondContact O-CG2 3.47Å; D608-I612 PolarHBondContact O-N 3.23Å; D608-I612 VanDerWaalsContact O-N 3.15Å; I612-S615 PolarHBondContact O-N 2.99Å; I612-F616 WeakPolarHBondContact O-CB 3.49Å; I612-F616 PolarHBondContact O-N 3.3Å; I612-F643 HydrophobicContact CD1-CE1 4.25Å; I612-F643 HydrophobicContact CG1-CE1 3.81Å; I612-F643 HydrophobicContact CG1-CZ 4.05Å; I612-F644 HydrophobicContact CD1-CD1 4.16Å; I612-F644 HydrophobicContact CD1-CE1 4.23Å; I612-F647 HydrophobicContact CB-CD2 4.36Å; I612-F647 HydrophobicContact CB-CE2 4.12Å; I612-F647 HydrophobicContact CD1-CB 4.18Å; I612-F647 HydrophobicContact CD1-CD1 3.59Å; I612-F647 HydrophobicContact CD1-CD2 3.61Å; I612-F647 HydrophobicContact CD1-CE1 3.79Å; I612-F647 HydrophobicContact CD1-CE2 3.8Å; I612-F647 HydrophobicContact CD1-CG 3.5Å; I612-F647 HydrophobicContact CD1-CZ 3.89Å; I612-F647 HydrophobicContact CG1-CD2 3.88Å; I612-F647 HydrophobicContact CG1-CE2 4.11Å; I612-F647 HydrophobicContact CG1-CG 4.2Å; I612-T679 HydrophobicContact CB-CG2 4.26Å; I612-T679 HydrophobicContact CD1-CG2 4.32Å; I612-T679 HydrophobicContact CG2-CG2 3.52Å; I612-L680 HydrophobicContact CD1-CD2 3.74Å; I612-F683 HydrophobicContact CD1-CD1 4.15Å; I612-F683 HydrophobicContact CD1-CE1 4.38Å; I612-F683 HydrophobicContact CG1-CD1 4.33Å; I612-F683 HydrophobicContact CG1-CE1 4.14Å; I612-F683 HydrophobicContact CG2-CD1 3.9Å; I612-F683 HydrophobicContact CG2-CE1 4.1Å
613	K	97.7	Very high	97.4	Very high	26 Å²	26	14.8 Å²	14.8	11%	0.113	9%	0.089	C	C	.	.	H	α-helix	trans	-67.9	-44.7	179.8	-75.6	179.3	-179.9	178.6	0	111.3	L384 N609 G610 G611 S615 F616 A617 N682 F683 V705	L384-K613 HydrophobicContact CD1-CB 4.25Å; N609-K613 WeakPolarHBondContact O-CD 3.37Å; N609-K613 WeakPolarHBondContact O-CG 3.39Å; G610-K613 PolarHBondContact O-N 2.95Å; G611-K613 VanDerWaalsContact C-N 3.33Å; G611-K613 PolarHBondContact O-N 2.94Å; K613-S615 VanDerWaalsContact C-N 3.34Å; K613-F616 PolarHBondContact O-N 3.16Å; K613-A617 WeakPolarHBondContact O-CB 3.38Å; K613-A617 PolarHBondContact O-N 2.79Å; K613-N682 PolarHBondContact NZ-O 3.08Å; K613-F683 HydrophobicContact CB-CZ 4.47Å; K613-F683 HydrophobicContact CG-CD1 4.41Å; K613-F683 HydrophobicContact CG-CD2 4.11Å; K613-F683 HydrophobicContact CG-CE1 4.2Å; K613-F683 HydrophobicContact CG-CE2 3.88Å; K613-F683 HydrophobicContact CG-CG 4.38Å; K613-F683 HydrophobicContact CG-CZ 3.94Å; K613-V705 VanDerWaalsContact NZ-CG2 3.34Å
614	Q	98	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-46.3	174.6	-70.6	160.8	30.7	0	0	110.8	L377 A380 F381 L384 G520 T524 G610 G611 A617 A618	L377-Q614 HydrophobicContact CD2-CB 4.48Å; A380-Q614 WeakPolarHBondContact CB-O 3.09Å; F381-Q614 HydrophobicContact CD2-CG 4.16Å; F381-Q614 VanDerWaalsContact CD2-NE2 3.26Å; L384-Q614 HydrophobicContact CD1-CB 4.25Å; L384-Q614 HydrophobicContact CD1-CG 3.62Å; G520-Q614 PolarHBondContact O-OE1 3.03Å; T524-Q614 PolarHBondContact OG1-NE2 3.23Å; T524-Q614 PolarHBondContact OG1-OE1 3.31Å; G610-Q614 WeakPolarHBondContact O-CB 3.47Å; G610-Q614 VanDerWaalsContact O-CG 3.24Å; G610-Q614 WeakPolarHBondContact O-CG 3.42Å; G610-Q614 PolarHBondContact O-N 3.46Å; G610-Q614 PolarHBondContact O-NE2 3.19Å; G611-Q614 PolarHBondContact O-N 3.23Å; Q614-A617 PolarHBondContact O-N 2.97Å; Q614-A618 WeakPolarHBondContact O-CB 3.44Å; Q614-A618 PolarHBondContact O-N 2.99Å
615	S	98.5	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-44.8	179.1	-169.2	0	0	0	0	112.8	L377 F512 G516 S517 G611 I612 K613 A617 A618 Y619	L377-S615 VanDerWaalsContact CD2-CA 3.49Å; F512-S615 VanDerWaalsContact C-OG 3.26Å; F512-S615 WeakPolarHBondContact CB-OG 3.27Å; F512-S615 PolarHBondContact O-OG 2.91Å; G516-S615 WeakPolarHBondContact CA-OG 3.36Å; S517-S615 PolarHBondContact N-OG 3.16Å; G611-S615 WeakPolarHBondContact O-CB 3.2Å; G611-S615 PolarHBondContact O-N 3.14Å; I612-S615 PolarHBondContact O-N 2.99Å; K613-S615 VanDerWaalsContact C-N 3.34Å; S615-A617 PolarHBondContact O-N 3.17Å; S615-A618 PolarHBondContact O-N 3.26Å; S615-Y619 WeakPolarHBondContact O-CB 3.48Å; S615-Y619 PolarHBondContact O-N 3.43Å
616	F	98.4	Very high	97	Very high	12 Å²	12	31.5 Å²	31.5	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-44.7	175.9	-169.9	-104	0	0	0	111.4	I612 K613 A618 Y619 K620 D640 F643 F644 F683 E685	I612-F616 WeakPolarHBondContact O-CB 3.49Å; I612-F616 PolarHBondContact O-N 3.3Å; K613-F616 PolarHBondContact O-N 3.16Å; F616-A618 PolarHBondContact O-N 3.49Å; F616-Y619 AromaticContact CD2-CD1 3.99Å; F616-Y619 HydrophobicContact CD2-CD1 3.99Å; F616-Y619 HydrophobicContact CD2-CE1 4.39Å; F616-Y619 HydrophobicContact CE2-CD1 4.13Å; F616-Y619 HydrophobicContact CE2-CE1 4.09Å; F616-Y619 PolarHBondContact O-N 3.47Å; F616-K620 HydrophobicContact CD1-CG 3.9Å; F616-K620 HydrophobicContact CE1-CD 3.95Å; F616-K620 HydrophobicContact CE1-CG 3.61Å; F616-K620 HydrophobicContact CE2-CD 4.16Å; F616-K620 HydrophobicContact CE2-CG 4.46Å; F616-K620 HydrophobicContact CG-CG 4.44Å; F616-K620 HydrophobicContact CZ-CD 3.73Å; F616-K620 HydrophobicContact CZ-CG 3.94Å; F616-K620 WeakPolarHBondContact O-CG 3.44Å; F616-K620 PolarHBondContact O-N 2.67Å; F616-D640 HydrophobicContact CE2-CB 4.31Å; F616-D640 HydrophobicContact CZ-CB 4.45Å; F616-F643 HydrophobicContact CB-CE1 3.92Å; F616-F643 HydrophobicContact CB-CE2 4.25Å; F616-F643 HydrophobicContact CB-CZ 3.69Å; F616-F643 AromaticContact CD2-CD1 3.56Å; F616-F643 HydrophobicContact CD2-CD1 3.56Å; F616-F643 HydrophobicContact CD2-CD2 4.2Å; F616-F643 AromaticContact CD2-CE1 3.65Å; F616-F643 HydrophobicContact CD2-CE1 3.65Å; F616-F643 HydrophobicContact CD2-CE2 4.24Å; F616-F643 AromaticContact CD2-CG 3.88Å; F616-F643 HydrophobicContact CD2-CG 3.88Å; F616-F643 HydrophobicContact CD2-CZ 4Å; F616-F643 HydrophobicContact CE2-CD1 4.19Å; F616-F643 HydrophobicContact CE2-CG 4.4Å; F616-F643 HydrophobicContact CG-CE1 4.25Å; F616-F643 HydrophobicContact CG-CZ 4.37Å; F616-F644 HydrophobicContact CD2-CE2 4.49Å; F616-F644 HydrophobicContact CD2-CZ 4.03Å; F616-F644 AromaticContact CE2-CE2 3.96Å; F616-F644 HydrophobicContact CE2-CE2 3.96Å; F616-F644 AromaticContact CE2-CZ 3.89Å; F616-F644 HydrophobicContact CE2-CZ 3.89Å; F616-F644 HydrophobicContact CZ-CE2 4.43Å; F616-F644 HydrophobicContact CZ-CZ 4.35Å; F616-F683 HydrophobicContact CB-CE1 3.99Å; F616-F683 HydrophobicContact CB-CZ 3.74Å; F616-F683 AromaticContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CG-CE1 4.28Å; F616-F683 AromaticContact CG-CZ 3.88Å; F616-F683 HydrophobicContact CG-CZ 3.88Å; F616-E685 HydrophobicContact CD1-CB 4.23Å; F616-E685 HydrophobicContact CD1-CG 4.2Å; F616-E685 HydrophobicContact CE1-CB 3.68Å; F616-E685 HydrophobicContact CE1-CG 3.67Å; F616-E685 HydrophobicContact CZ-CB 4.06Å; F616-E685 HydrophobicContact CZ-CG 4.46Å
617	A	97.9	Very high	96.6	Very high	19 Å²	19	37.8 Å²	37.8	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-41.9	177.5	0	0	0	0	0	112.4	A380 L384 K613 Q614 S615 K620 A621	A380-A617 HydrophobicContact CB-CB 4.02Å; L384-A617 HydrophobicContact CD1-CB 4.49Å; L384-A617 HydrophobicContact CD2-CB 4.47Å; L384-A617 HydrophobicContact CG-CB 4.48Å; K613-A617 WeakPolarHBondContact O-CB 3.38Å; K613-A617 PolarHBondContact O-N 2.79Å; Q614-A617 PolarHBondContact O-N 2.97Å; S615-A617 PolarHBondContact O-N 3.17Å; A617-K620 PolarHBondContact O-N 2.72Å; A617-A621 WeakPolarHBondContact O-CB 3.14Å; A617-A621 PolarHBondContact O-N 3.39Å
618	A	98.3	Very high	96.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-63.4	-46.3	174.5	0	0	0	0	0	111.7	E376 L377 A380 F512 Q614 S615 F616 K620 A621 L622	E376-A618 HydrophobicContact CB-CB 4.33Å; L377-A618 HydrophobicContact CD2-CB 3.95Å; L377-A618 HydrophobicContact CG-CB 4.39Å; A380-A618 HydrophobicContact CB-CB 3.77Å; F512-A618 HydrophobicContact CD1-CB 3.92Å; F512-A618 HydrophobicContact CE1-CB 3.48Å; F512-A618 VanDerWaalsContact CE1-CB 3.48Å; F512-A618 HydrophobicContact CZ-CB 4.4Å; Q614-A618 WeakPolarHBondContact O-CB 3.44Å; Q614-A618 PolarHBondContact O-N 2.99Å; S615-A618 PolarHBondContact O-N 3.26Å; F616-A618 PolarHBondContact O-N 3.49Å; A618-K620 PolarHBondContact O-N 2.89Å; A618-A621 PolarHBondContact O-N 3.35Å; A618-L622 WeakPolarHBondContact O-CB 3.37Å; A618-L622 PolarHBondContact O-N 2.77Å
619	Y	97.9	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-47.1	175	155.7	-110.5	0	0	0	112.3	A508 A509 S615 F616 A621 L622 T623 Q628 M639 D640 F643	A508-Y619 HydrophobicContact CB-CD2 4.11Å; A509-Y619 HydrophobicContact CB-CD2 4.42Å; A509-Y619 HydrophobicContact CB-CE2 3.75Å; S615-Y619 WeakPolarHBondContact O-CB 3.48Å; S615-Y619 PolarHBondContact O-N 3.43Å; F616-Y619 AromaticContact CD2-CD1 3.99Å; F616-Y619 HydrophobicContact CD2-CD1 3.99Å; F616-Y619 HydrophobicContact CD2-CE1 4.39Å; F616-Y619 HydrophobicContact CE2-CD1 4.13Å; F616-Y619 HydrophobicContact CE2-CE1 4.09Å; F616-Y619 PolarHBondContact O-N 3.47Å; Y619-A621 VanDerWaalsContact C-N 3.35Å; Y619-A621 PolarHBondContact O-N 2.87Å; Y619-L622 PolarHBondContact O-N 3.24Å; Y619-T623 HydrophobicContact CD2-CG2 3.75Å; Y619-T623 HydrophobicContact CE2-CG2 3.58Å; Y619-T623 WeakPolarHBondContact O-CB 3.36Å; Y619-T623 WeakPolarHBondContact O-CG2 3.23Å; Y619-T623 PolarHBondContact O-N 3.11Å; Y619-T623 PolarHBondContact O-OG1 3.22Å; Y619-Q628 PolarHBondContact OH-NE2 3.33Å; Y619-Q628 VanDerWaalsContact OH-NE2 3.11Å; Y619-Q628 PolarHBondContact OH-OE1 2.93Å; Y619-M639 WeakPolarHBondContact OH-CB 3.37Å; Y619-D640 VanDerWaalsContact CE1-OD1 3.23Å; Y619-D640 WeakPolarHBondContact CE1-OD1 3.4Å; Y619-D640 PolarHBondContact OH-OD1 3.44Å; Y619-F643 HydrophobicContact CD1-CD2 4.06Å; Y619-F643 HydrophobicContact CE1-CB 4.47Å; Y619-F643 HydrophobicContact CG-CD2 4.28Å
620	K	97.3	Very high	95.4	Very high	74 Å²	74	50.7 Å²	50.7	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-38.7	177.6	-65.1	-50.8	-64.6	-165.9	0	111.8	F616 A617 A618 K624 D640	F616-K620 HydrophobicContact CD1-CG 3.9Å; F616-K620 HydrophobicContact CE1-CD 3.95Å; F616-K620 HydrophobicContact CE1-CG 3.61Å; F616-K620 HydrophobicContact CE2-CD 4.16Å; F616-K620 HydrophobicContact CE2-CG 4.46Å; F616-K620 HydrophobicContact CG-CG 4.44Å; F616-K620 HydrophobicContact CZ-CD 3.73Å; F616-K620 HydrophobicContact CZ-CG 3.94Å; F616-K620 WeakPolarHBondContact O-CG 3.44Å; F616-K620 PolarHBondContact O-N 2.67Å; A617-K620 PolarHBondContact O-N 2.72Å; A618-K620 PolarHBondContact O-N 2.89Å; K620-K624 WeakPolarHBondContact O-CB 3.45Å; K620-K624 PolarHBondContact O-N 3.29Å; K620-D640 IonicContact NZ-OD1 3.95Å; K620-D640 PolarHBondContact NZ-OD1 3.46Å; K620-D640 IonicContact NZ-OD2 3.94Å; K620-D640 PolarHBondContact NZ-OD2 3.1Å
621	A	96.2	Very high	95.1	Very high	62 Å²	62	52.6 Å²	52.6	51%	0.512	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-45.7	175.6	0	0	0	0	0	111.4	A617 A618 Y619 T623 K624	A617-A621 WeakPolarHBondContact O-CB 3.14Å; A617-A621 PolarHBondContact O-N 3.39Å; A618-A621 PolarHBondContact O-N 3.35Å; Y619-A621 VanDerWaalsContact C-N 3.35Å; Y619-A621 PolarHBondContact O-N 2.87Å; A621-T623 PolarHBondContact O-N 2.71Å; A621-K624 PolarHBondContact O-N 2.99Å
622	L	95.1	Very high	94.7	Very high	56 Å²	56	57.1 Å²	57.1	29%	0.293	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-38.4	-179.1	-178.6	65.5	0	0	0	112.9	A508 F512 A618 Y619 K626	A508-L622 HydrophobicContact CB-CD2 4.11Å; F512-L622 HydrophobicContact CD2-CD2 4.42Å; F512-L622 HydrophobicContact CE2-CD2 3.48Å; F512-L622 VanDerWaalsContact CE2-CD2 3.48Å; F512-L622 HydrophobicContact CZ-CD2 3.99Å; A618-L622 WeakPolarHBondContact O-CB 3.37Å; A618-L622 PolarHBondContact O-N 2.77Å; Y619-L622 PolarHBondContact O-N 3.24Å; L622-K626 WeakPolarHBondContact O-CD 3.13Å; L622-K626 WeakPolarHBondContact O-CE 3.41Å; L622-K626 PolarHBondContact O-NZ 3.33Å
623	T	95.5	Very high	94.3	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.092	36%	0.358	C	S	.	.	H	α-helix	trans	-93.5	-4.6	-175.8	58	0	0	0	0	114.1	A508 Y619 A621 G625 K626 Q628	A508-T623 HydrophobicContact CB-CG2 4.1Å; Y619-T623 HydrophobicContact CD2-CG2 3.75Å; Y619-T623 HydrophobicContact CE2-CG2 3.58Å; Y619-T623 WeakPolarHBondContact O-CB 3.36Å; Y619-T623 WeakPolarHBondContact O-CG2 3.23Å; Y619-T623 PolarHBondContact O-N 3.11Å; Y619-T623 PolarHBondContact O-OG1 3.22Å; A621-T623 PolarHBondContact O-N 2.71Å; T623-G625 PolarHBondContact O-N 3.29Å; T623-G625 VanDerWaalsContact O-N 3.1Å; T623-K626 PolarHBondContact O-N 2.99Å; T623-Q628 HydrophobicContact CG2-CG 4.23Å; T623-Q628 PolarHBondContact OG1-NE2 2.91Å
624	K	94.9	Very high	94	Very high	176 Å²	176	63 Å²	63	77%	0.765	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	118.4	-179	-172.1	175.8	179.9	179.8	0	111.2	K620 A621 K626	K620-K624 WeakPolarHBondContact O-CB 3.45Å; K620-K624 PolarHBondContact O-N 3.29Å; A621-K624 PolarHBondContact O-N 2.99Å; K624-K626 PolarHBondContact O-N 3.27Å
625	G	92.5	Very high	93.8	Very high	85 Å²	85	68.7 Å²	68.7	88%	0.876	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	5	178.4	0	0	0	0	0	115.1	T623	T623-G625 PolarHBondContact O-N 3.29Å; T623-G625 VanDerWaalsContact O-N 3.1Å
626	K	93.4	Very high	93.6	Very high	124 Å²	124	73.8 Å²	73.8	54%	0.539	42%	0.416	S	S	.	.	S	Bend	trans	-101.4	137.7	176	-61.4	179	-171.3	160.7	0	109.7	L622 T623 K624 Q628	L622-K626 WeakPolarHBondContact O-CD 3.13Å; L622-K626 WeakPolarHBondContact O-CE 3.41Å; L622-K626 PolarHBondContact O-NZ 3.33Å; T623-K626 PolarHBondContact O-N 2.99Å; K624-K626 PolarHBondContact O-N 3.27Å; K626-Q628 PolarHBondContact O-N 3.48Å
627	P	89.1	Confident	93.4	Very high	132 Å²	132	73.9 Å²	73.9	86%	0.857	42%	0.416	S	S	*	.			trans	-60.6	139.2	168	27.4	-32.6	0	0	0	108.9
628	Q	91.2	Very high	93.3	Very high	61 Å²	61	76.7 Å²	76.7	29%	0.285	43%	0.432	S	S	.	.			trans	-107.7	134.5	175.5	-58.4	-167.3	46.6	0	0	109	Y619 T623 K626 V630 M639	Y619-Q628 PolarHBondContact OH-NE2 3.33Å; Y619-Q628 VanDerWaalsContact OH-NE2 3.11Å; Y619-Q628 PolarHBondContact OH-OE1 2.93Å; T623-Q628 HydrophobicContact CG2-CG 4.23Å; T623-Q628 PolarHBondContact OG1-NE2 2.91Å; K626-Q628 PolarHBondContact O-N 3.48Å; Q628-V630 PolarHBondContact O-N 2.97Å; Q628-M639 HydrophobicContact CB-CG 3.86Å
629	E	85.9	Confident	93.2	Very high	149 Å²	149	77.3 Å²	77.3	70%	0.696	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-69.6	119	174.5	-173.7	173.7	179.6	0	0	109.3	M639	E629-M639 WeakPolarHBondContact O-CE 3.4Å
630	V	90.7	Very high	93.1	Very high	71 Å²	71	79 Å²	79	43%	0.43	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-73.9	136.2	173.9	-179.8	0	0	0	0	108.1	Q628 E635	Q628-V630 PolarHBondContact O-N 2.97Å; V630-E635 HydrophobicContact CG1-CB 4.09Å; V630-E635 HydrophobicContact CG1-CG 4Å
631	L	91.5	Very high	93.1	Very high	40 Å²	40	76.8 Å²	76.8	21%	0.209	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-71.2	128.1	178.8	-72.9	176.6	0	0	0	110.9	P507 V510 L634 I642	P507-L631 HydrophobicContact CG-CD2 3.63Å; P507-L631 HydrophobicContact CG-CG 4.26Å; V510-L631 HydrophobicContact CG2-CD1 4.14Å; L631-L634 HydrophobicContact CB-CB 4.09Å; L631-L634 HydrophobicContact CB-CD1 4.29Å; L631-L634 HydrophobicContact CD1-CD1 4.13Å; L631-L634 CarbonylContact O-C 3.55Å; L631-L634 PolarHBondContact O-N 2.91Å; L631-L634 VanDerWaalsContact O-N 3.1Å; L631-I642 HydrophobicContact CD1-CD1 4.26Å; L631-I642 HydrophobicContact CD1-CG1 4.41Å; L631-I642 HydrophobicContact CD1-CG2 3.79Å
632	P	90.8	Very high	93.1	Very high	95 Å²	95	74.1 Å²	74.1	62%	0.617	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	140.3	174.1	-25.7	34.4	0	0	0	112.1	L634 E635	P632-L634 PolarHBondContact O-N 3.33Å; P632-E635 WeakPolarHBondContact CA-OE1 3.27Å
633	S	89.7	Confident	93.2	Very high	99 Å²	99	71.4 Å²	71.4	69%	0.692	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	7	-175	-48.6	0	0	0	0	116	E635	S633-E635 VanDerWaalsContact C-OE2 3.28Å; S633-E635 WeakPolarHBondContact CA-OE2 3.38Å; S633-E635 PolarHBondContact N-OE1 3.24Å; S633-E635 PolarHBondContact N-OE2 2.87Å
634	L	92	Very high	93.3	Very high	51 Å²	51	70.7 Å²	70.7	27%	0.267	39%	0.393	S	S	.	.			trans	-129.4	24.7	174.2	-65.3	176.7	0	0	0	111.2	M1 L631 P632 Q636 F637 I642	M1-L634 HydrophobicContact SD-CD2 4.22Å; L631-L634 HydrophobicContact CB-CB 4.09Å; L631-L634 HydrophobicContact CB-CD1 4.29Å; L631-L634 HydrophobicContact CD1-CD1 4.13Å; L631-L634 CarbonylContact O-C 3.55Å; L631-L634 PolarHBondContact O-N 2.91Å; L631-L634 VanDerWaalsContact O-N 3.1Å; P632-L634 PolarHBondContact O-N 3.33Å; L634-Q636 PolarHBondContact O-N 3.36Å; L634-Q636 VanDerWaalsContact O-N 3.13Å; L634-F637 HydrophobicContact CB-CD2 4.2Å; L634-F637 HydrophobicContact CD2-CD2 3.98Å; L634-F637 HydrophobicContact CD2-CE2 4.07Å; L634-F637 WeakPolarHBondContact O-CB 3.36Å; L634-F637 PolarHBondContact O-N 3.43Å; L634-I642 HydrophobicContact CB-CD1 4.2Å; L634-I642 HydrophobicContact CD1-CD1 4.04Å
635	E	93.7	Very high	93.3	Very high	120 Å²	120	62.7 Å²	62.7	56%	0.561	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.6	-175.2	-57.8	84.2	172.1	0	0	113.5	V630 P632 S633 F637	V630-E635 HydrophobicContact CG1-CB 4.09Å; V630-E635 HydrophobicContact CG1-CG 4Å; P632-E635 WeakPolarHBondContact CA-OE1 3.27Å; S633-E635 VanDerWaalsContact C-OE2 3.28Å; S633-E635 WeakPolarHBondContact CA-OE2 3.38Å; S633-E635 PolarHBondContact N-OE1 3.24Å; S633-E635 PolarHBondContact N-OE2 2.87Å; E635-F637 PolarHBondContact O-N 3.03Å
636	Q	92.6	Very high	93.4	Very high	108 Å²	108	59.1 Å²	59.1	51%	0.505	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.9	172.5	72.3	-82.8	20.8	0	0	113.5	L634	L634-Q636 PolarHBondContact O-N 3.36Å; L634-Q636 VanDerWaalsContact O-N 3.13Å
637	F	94.5	Very high	93.6	Very high	14 Å²	14	53.3 Å²	53.3	6%	0.061	30%	0.295	C	S	.	.	S	Bend	trans	-102.4	135.2	179.1	-66.2	-67.5	0	0	0	111.5	M1 L3 Y19 L634 E635 Q641 I642 L645	M1-F637 HydrophobicContact CE-CE1 4.45Å; M1-F637 HydrophobicContact CE-CE2 3.6Å; M1-F637 HydrophobicContact CE-CZ 3.48Å; M1-F637 VanDerWaalsContact CE-CZ 3.48Å; M1-F637 HydrophobicContact SD-CE2 4.23Å; L3-F637 HydrophobicContact CD2-CE2 3.97Å; L3-F637 HydrophobicContact CD2-CZ 3.55Å; Y19-F637 WeakPolarHBondContact OH-CE1 3.5Å; L634-F637 HydrophobicContact CB-CD2 4.2Å; L634-F637 HydrophobicContact CD2-CD2 3.98Å; L634-F637 HydrophobicContact CD2-CE2 4.07Å; L634-F637 WeakPolarHBondContact O-CB 3.36Å; L634-F637 PolarHBondContact O-N 3.43Å; E635-F637 PolarHBondContact O-N 3.03Å; F637-Q641 HydrophobicContact CB-CB 4.28Å; F637-Q641 HydrophobicContact CD1-CB 4.06Å; F637-I642 HydrophobicContact CB-CD1 3.67Å; F637-I642 HydrophobicContact CB-CG1 4.07Å; F637-I642 HydrophobicContact CD2-CD1 4.41Å; F637-I642 HydrophobicContact CG-CD1 4.26Å; F637-L645 HydrophobicContact CD1-CD1 4.11Å; F637-L645 HydrophobicContact CD2-CD1 4.33Å; F637-L645 HydrophobicContact CE1-CD1 4.23Å; F637-L645 HydrophobicContact CE2-CD1 4.42Å; F637-L645 HydrophobicContact CG-CD1 4.17Å; F637-L645 HydrophobicContact CZ-CD1 4.37Å
638	T	95.5	Very high	93.8	Very high	77 Å²	77	47 Å²	47	47%	0.472	25%	0.254	S	S	.	.			trans	-69.3	154.8	164.9	66.3	0	0	0	0	110.1	D640 Q641 I642	T638-D640 PolarHBondContact O-N 2.73Å; T638-Q641 WeakPolarHBondContact O-CA 3.48Å; T638-Q641 WeakPolarHBondContact O-CB 3.46Å; T638-Q641 PolarHBondContact O-N 3.42Å; T638-Q641 WeakPolarHBondContact OG1-CG 3.47Å; T638-Q641 PolarHBondContact OG1-N 2.96Å; T638-Q641 PolarHBondContact OG1-OE1 3.14Å; T638-I642 PolarHBondContact O-N 3.03Å
639	M	96.6	Very high	93.8	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.069	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-24.2	177.5	-63.4	-50.3	-71.7	0	0	113.2	P507 A509 Y619 Q628 E629 I642 F643	P507-M639 HydrophobicContact CB-CE 3.73Å; P507-M639 HydrophobicContact CG-CE 4.26Å; A509-M639 HydrophobicContact CB-CB 4.21Å; A509-M639 HydrophobicContact CB-CE 3.79Å; A509-M639 VanDerWaalsContact CB-O 3.31Å; A509-M639 WeakPolarHBondContact CB-O 3.12Å; Y619-M639 WeakPolarHBondContact OH-CB 3.37Å; Q628-M639 HydrophobicContact CB-CG 3.86Å; E629-M639 WeakPolarHBondContact O-CE 3.4Å; M639-I642 HydrophobicContact CE-CB 4.39Å; M639-I642 HydrophobicContact CE-CG2 4.23Å; M639-I642 PolarHBondContact O-N 3.41Å; M639-I642 HydrophobicContact SD-CB 4.39Å; M639-I642 HydrophobicContact SD-CG1 4Å; M639-F643 PolarHBondContact O-N 3.03Å
640	D	97	Very high	93.9	Very high	37 Å²	37	40.7 Å²	40.7	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-69.3	-37.5	171	-67.3	2.1	0	0	0	111.3	F616 Y619 K620 T638 F643 F644	F616-D640 HydrophobicContact CE2-CB 4.31Å; F616-D640 HydrophobicContact CZ-CB 4.45Å; Y619-D640 VanDerWaalsContact CE1-OD1 3.23Å; Y619-D640 WeakPolarHBondContact CE1-OD1 3.4Å; Y619-D640 PolarHBondContact OH-OD1 3.44Å; K620-D640 IonicContact NZ-OD1 3.95Å; K620-D640 PolarHBondContact NZ-OD1 3.46Å; K620-D640 IonicContact NZ-OD2 3.94Å; K620-D640 PolarHBondContact NZ-OD2 3.1Å; T638-D640 PolarHBondContact O-N 2.73Å; D640-F643 WeakPolarHBondContact O-CB 3.28Å; D640-F643 PolarHBondContact O-N 3.49Å; D640-F644 WeakPolarHBondContact O-CD2 3.43Å; D640-F644 PolarHBondContact O-N 2.94Å
641	Q	96.7	Very high	94	Very high	27 Å²	27	38.1 Å²	38.1	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-38.3	170.7	-70.7	166.9	-40.7	0	0	111.7	F637 T638 F643 F644 L645 A689 F690	F637-Q641 HydrophobicContact CB-CB 4.28Å; F637-Q641 HydrophobicContact CD1-CB 4.06Å; T638-Q641 WeakPolarHBondContact O-CA 3.48Å; T638-Q641 WeakPolarHBondContact O-CB 3.46Å; T638-Q641 PolarHBondContact O-N 3.42Å; T638-Q641 WeakPolarHBondContact OG1-CG 3.47Å; T638-Q641 PolarHBondContact OG1-N 2.96Å; T638-Q641 PolarHBondContact OG1-OE1 3.14Å; Q641-F643 VanDerWaalsContact C-N 3.29Å; Q641-F643 PolarHBondContact O-N 3.36Å; Q641-F644 PolarHBondContact O-N 3.28Å; Q641-L645 WeakPolarHBondContact O-CB 3.5Å; Q641-L645 WeakPolarHBondContact O-CG 3.46Å; Q641-L645 PolarHBondContact O-N 2.95Å; Q641-A689 HydrophobicContact CG-CB 4.16Å; Q641-A689 VanDerWaalsContact CG-O 3.3Å; Q641-A689 WeakPolarHBondContact CG-O 3.36Å; Q641-A689 PolarHBondContact NE2-O 3.42Å; Q641-F690 HydrophobicContact CB-CE1 4.18Å; Q641-F690 HydrophobicContact CB-CE2 4.24Å; Q641-F690 HydrophobicContact CB-CZ 3.74Å; Q641-F690 HydrophobicContact CG-CD1 4.34Å; Q641-F690 HydrophobicContact CG-CD2 4.43Å; Q641-F690 HydrophobicContact CG-CE1 3.95Å; Q641-F690 HydrophobicContact CG-CE2 4.05Å; Q641-F690 HydrophobicContact CG-CZ 3.79Å
642	I	96.4	Very high	94	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-60.1	-39.3	174	-64.3	-58.4	0	0	0	111.2	A509 V510 L631 L634 F637 T638 M639 L645 S646	A509-I642 HydrophobicContact CB-CB 4.44Å; A509-I642 HydrophobicContact CB-CG2 4.2Å; V510-I642 HydrophobicContact CG2-CG2 3.76Å; L631-I642 HydrophobicContact CD1-CD1 4.26Å; L631-I642 HydrophobicContact CD1-CG1 4.41Å; L631-I642 HydrophobicContact CD1-CG2 3.79Å; L634-I642 HydrophobicContact CB-CD1 4.2Å; L634-I642 HydrophobicContact CD1-CD1 4.04Å; F637-I642 HydrophobicContact CB-CD1 3.67Å; F637-I642 HydrophobicContact CB-CG1 4.07Å; F637-I642 HydrophobicContact CD2-CD1 4.41Å; F637-I642 HydrophobicContact CG-CD1 4.26Å; T638-I642 PolarHBondContact O-N 3.03Å; M639-I642 HydrophobicContact CE-CB 4.39Å; M639-I642 HydrophobicContact CE-CG2 4.23Å; M639-I642 PolarHBondContact O-N 3.41Å; M639-I642 HydrophobicContact SD-CB 4.39Å; M639-I642 HydrophobicContact SD-CG1 4Å; I642-L645 HydrophobicContact CD1-CD1 4.27Å; I642-L645 PolarHBondContact O-N 3.33Å; I642-S646 VanDerWaalsContact O-CB 3.31Å; I642-S646 WeakPolarHBondContact O-CB 3.42Å; I642-S646 PolarHBondContact O-N 3.21Å; I642-S646 PolarHBondContact O-OG 3.06Å
643	F	97.6	Very high	93.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-56.6	-51.7	174.5	172.1	-81.3	0	0	0	111.7	A509 F512 I612 F616 Y619 M639 D640 Q641 S646 F647	A509-F643 HydrophobicContact CB-CB 4.31Å; A509-F643 WeakPolarHBondContact O-CA 3.35Å; F512-F643 HydrophobicContact CB-CD2 4.24Å; F512-F643 HydrophobicContact CB-CE2 3.94Å; I612-F643 HydrophobicContact CD1-CE1 4.25Å; I612-F643 HydrophobicContact CG1-CE1 3.81Å; I612-F643 HydrophobicContact CG1-CZ 4.05Å; F616-F643 HydrophobicContact CB-CE1 3.92Å; F616-F643 HydrophobicContact CB-CE2 4.25Å; F616-F643 HydrophobicContact CB-CZ 3.69Å; F616-F643 AromaticContact CD2-CD1 3.56Å; F616-F643 HydrophobicContact CD2-CD1 3.56Å; F616-F643 HydrophobicContact CD2-CD2 4.2Å; F616-F643 AromaticContact CD2-CE1 3.65Å; F616-F643 HydrophobicContact CD2-CE1 3.65Å; F616-F643 HydrophobicContact CD2-CE2 4.24Å; F616-F643 AromaticContact CD2-CG 3.88Å; F616-F643 HydrophobicContact CD2-CG 3.88Å; F616-F643 HydrophobicContact CD2-CZ 4Å; F616-F643 HydrophobicContact CE2-CD1 4.19Å; F616-F643 HydrophobicContact CE2-CG 4.4Å; F616-F643 HydrophobicContact CG-CE1 4.25Å; F616-F643 HydrophobicContact CG-CZ 4.37Å; Y619-F643 HydrophobicContact CD1-CD2 4.06Å; Y619-F643 HydrophobicContact CE1-CB 4.47Å; Y619-F643 HydrophobicContact CG-CD2 4.28Å; M639-F643 PolarHBondContact O-N 3.03Å; D640-F643 WeakPolarHBondContact O-CB 3.28Å; D640-F643 PolarHBondContact O-N 3.49Å; Q641-F643 VanDerWaalsContact C-N 3.29Å; Q641-F643 PolarHBondContact O-N 3.36Å; F643-S646 WeakPolarHBondContact O-CB 3.41Å; F643-S646 PolarHBondContact O-N 2.82Å; F643-F647 PolarHBondContact O-N 3Å
644	F	97.5	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.2	-35.3	-178.8	-67.6	-61.3	0	0	0	112.9	F11 I612 F616 D640 Q641 S646 F647 A648 L680 F683 E685 F686 A689 F690	F11-F644 HydrophobicContact CZ-CB 4.3Å; I612-F644 HydrophobicContact CD1-CD1 4.16Å; I612-F644 HydrophobicContact CD1-CE1 4.23Å; F616-F644 HydrophobicContact CD2-CE2 4.49Å; F616-F644 HydrophobicContact CD2-CZ 4.03Å; F616-F644 AromaticContact CE2-CE2 3.96Å; F616-F644 HydrophobicContact CE2-CE2 3.96Å; F616-F644 AromaticContact CE2-CZ 3.89Å; F616-F644 HydrophobicContact CE2-CZ 3.89Å; F616-F644 HydrophobicContact CZ-CE2 4.43Å; F616-F644 HydrophobicContact CZ-CZ 4.35Å; D640-F644 WeakPolarHBondContact O-CD2 3.43Å; D640-F644 PolarHBondContact O-N 2.94Å; Q641-F644 PolarHBondContact O-N 3.28Å; F644-S646 VanDerWaalsContact C-N 3.32Å; F644-F647 PolarHBondContact O-N 3.34Å; F644-A648 PolarHBondContact O-N 2.85Å; F644-L680 HydrophobicContact CD1-CD2 3.81Å; F644-L680 HydrophobicContact CE1-CD2 4.35Å; F644-F683 AromaticContact CE1-CD1 3.61Å; F644-F683 HydrophobicContact CE1-CD1 3.61Å; F644-F683 AromaticContact CE1-CE1 3.61Å; F644-F683 HydrophobicContact CE1-CE1 3.61Å; F644-F683 HydrophobicContact CZ-CD1 4.15Å; F644-F683 AromaticContact CZ-CE1 3.97Å; F644-F683 HydrophobicContact CZ-CE1 3.97Å; F644-F683 HydrophobicContact CZ-CZ 4.49Å; F644-E685 HydrophobicContact CZ-CB 4.14Å; F644-F686 HydrophobicContact CB-CD2 4.11Å; F644-F686 HydrophobicContact CD1-CB 4.03Å; F644-F686 HydrophobicContact CD1-CD2 4.13Å; F644-F686 HydrophobicContact CD2-CB 4.42Å; F644-F686 HydrophobicContact CD2-CD2 4.29Å; F644-F686 HydrophobicContact CE1-CB 3.79Å; F644-F686 HydrophobicContact CE2-CB 4.2Å; F644-F686 HydrophobicContact CG-CB 4.36Å; F644-F686 AromaticContact CG-CD2 3.92Å; F644-F686 HydrophobicContact CG-CD2 3.92Å; F644-F686 HydrophobicContact CZ-CB 3.89Å; F644-A689 HydrophobicContact CD2-CB 3.89Å; F644-A689 HydrophobicContact CE2-CB 3.77Å; F644-F690 HydrophobicContact CB-CE2 3.85Å; F644-F690 HydrophobicContact CD2-CE2 4.17Å; F644-F690 HydrophobicContact CG-CE2 4.38Å
645	L	95.2	Very high	93.9	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-42.2	171.1	-77.2	168.9	0	0	0	111.3	M1 F11 Y19 F637 Q641 I642 A648 N649 F690	M1-L645 HydrophobicContact CE-CD1 4Å; M1-L645 HydrophobicContact CE-CD2 3.95Å; F11-L645 HydrophobicContact CZ-CD2 3.94Å; F11-L645 HydrophobicContact CZ-CG 4.29Å; Y19-L645 HydrophobicContact CD1-CD2 4.1Å; Y19-L645 HydrophobicContact CE1-CD2 3.7Å; F637-L645 HydrophobicContact CD1-CD1 4.11Å; F637-L645 HydrophobicContact CD2-CD1 4.33Å; F637-L645 HydrophobicContact CE1-CD1 4.23Å; F637-L645 HydrophobicContact CE2-CD1 4.42Å; F637-L645 HydrophobicContact CG-CD1 4.17Å; F637-L645 HydrophobicContact CZ-CD1 4.37Å; Q641-L645 WeakPolarHBondContact O-CB 3.5Å; Q641-L645 WeakPolarHBondContact O-CG 3.46Å; Q641-L645 PolarHBondContact O-N 2.95Å; I642-L645 HydrophobicContact CD1-CD1 4.27Å; I642-L645 PolarHBondContact O-N 3.33Å; L645-A648 PolarHBondContact O-N 3.37Å; L645-N649 VanDerWaalsContact O-CB 3.25Å; L645-N649 WeakPolarHBondContact O-CB 3.5Å; L645-N649 PolarHBondContact O-N 3.37Å; L645-N649 PolarHBondContact O-ND2 3.29Å; L645-F690 HydrophobicContact CG-CZ 4.34Å
646	S	95.1	Very high	93.8	Very high	11 Å²	11	24.2 Å²	24.2	8%	0.077	13%	0.131	C	C	.	.	H	α-helix	trans	-65.1	-41.9	178.3	-56.5	0	0	0	0	111.2	C514 I642 F643 F644 N649 F650	C514-S646 PolarHBondContact SG-O 3.19Å; I642-S646 VanDerWaalsContact O-CB 3.31Å; I642-S646 WeakPolarHBondContact O-CB 3.42Å; I642-S646 PolarHBondContact O-N 3.21Å; I642-S646 PolarHBondContact O-OG 3.06Å; F643-S646 WeakPolarHBondContact O-CB 3.41Å; F643-S646 PolarHBondContact O-N 2.82Å; F644-S646 VanDerWaalsContact C-N 3.32Å; S646-N649 PolarHBondContact O-N 3.14Å; S646-F650 PolarHBondContact O-N 3.4Å
647	F	96.1	Very high	93.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-50.5	172.3	170.8	-97.9	0	0	0	112.4	G513 I612 F643 F644 N649 F650 Y651 V676 T679 L680	G513-F647 VanDerWaalsContact O-CA 3.25Å; G513-F647 WeakPolarHBondContact O-CA 3.36Å; G513-F647 WeakPolarHBondContact O-CB 3.09Å; I612-F647 HydrophobicContact CB-CD2 4.36Å; I612-F647 HydrophobicContact CB-CE2 4.12Å; I612-F647 HydrophobicContact CD1-CB 4.18Å; I612-F647 HydrophobicContact CD1-CD1 3.59Å; I612-F647 HydrophobicContact CD1-CD2 3.61Å; I612-F647 HydrophobicContact CD1-CE1 3.79Å; I612-F647 HydrophobicContact CD1-CE2 3.8Å; I612-F647 HydrophobicContact CD1-CG 3.5Å; I612-F647 HydrophobicContact CD1-CZ 3.89Å; I612-F647 HydrophobicContact CG1-CD2 3.88Å; I612-F647 HydrophobicContact CG1-CE2 4.11Å; I612-F647 HydrophobicContact CG1-CG 4.2Å; F643-F647 PolarHBondContact O-N 3Å; F644-F647 PolarHBondContact O-N 3.34Å; F647-N649 VanDerWaalsContact C-N 3.34Å; F647-N649 PolarHBondContact O-N 2.95Å; F647-F650 HydrophobicContact CB-CE1 4.48Å; F647-F650 AromaticContact CD2-CE1 3.73Å; F647-F650 HydrophobicContact CD2-CE1 3.73Å; F647-F650 HydrophobicContact CD2-CZ 4.12Å; F647-F650 HydrophobicContact CE2-CE1 4.32Å; F647-F650 HydrophobicContact CE2-CZ 4.26Å; F647-F650 HydrophobicContact CG-CE1 4.33Å; F647-F650 WeakPolarHBondContact O-CD1 3.43Å; F647-F650 WeakPolarHBondContact O-CE1 3.48Å; F647-Y651 HydrophobicContact CD2-CE2 4.36Å; F647-Y651 HydrophobicContact CE1-CE2 4.44Å; F647-Y651 HydrophobicContact CE2-CD2 4.43Å; F647-Y651 AromaticContact CE2-CE2 3.72Å; F647-Y651 HydrophobicContact CE2-CE2 3.72Å; F647-Y651 HydrophobicContact CZ-CD2 4.28Å; F647-Y651 AromaticContact CZ-CE2 3.76Å; F647-Y651 HydrophobicContact CZ-CE2 3.76Å; F647-Y651 WeakPolarHBondContact O-CD2 3Å; F647-V676 HydrophobicContact CE1-CG1 4.48Å; F647-V676 HydrophobicContact CE1-CG2 4.4Å; F647-T679 HydrophobicContact CE1-CG2 4.28Å; F647-T679 HydrophobicContact CZ-CG2 3.82Å; F647-L680 HydrophobicContact CD1-CD1 4.47Å; F647-L680 HydrophobicContact CD1-CD2 4.03Å; F647-L680 HydrophobicContact CD1-CG 4.35Å; F647-L680 HydrophobicContact CE1-CD2 4.1Å; F647-L680 HydrophobicContact CE1-CG 4.13Å
648	A	94.4	Very high	93.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-69.1	-32.8	180	0	0	0	0	0	112.7	F11 S20 F644 L645 F650 Y651 C652 V676	F11-A648 HydrophobicContact CD1-CB 3.73Å; F11-A648 HydrophobicContact CE1-CB 3.54Å; S20-A648 WeakPolarHBondContact OG-CB 3.49Å; F644-A648 PolarHBondContact O-N 2.85Å; L645-A648 PolarHBondContact O-N 3.37Å; A648-F650 PolarHBondContact O-N 2.88Å; A648-Y651 PolarHBondContact O-N 3.35Å; A648-Y651 VanDerWaalsContact O-N 3.15Å; A648-C652 PolarHBondContact O-N 3.32Å; A648-V676 HydrophobicContact CB-CG1 3.81Å; A648-V676 HydrophobicContact CB-CG2 4.41Å
649	N	90.1	Very high	93.3	Very high	66 Å²	66	22.6 Å²	22.6	35%	0.353	12%	0.121	S	C	.	.	H	α-helix	trans	-65.2	-33.7	-176.1	-79.9	-20.3	0	0	0	113.8	S39 L645 S646 F647 Y651 C652	S39-N649 PolarHBondContact OG-O 3.4Å; L645-N649 VanDerWaalsContact O-CB 3.25Å; L645-N649 WeakPolarHBondContact O-CB 3.5Å; L645-N649 PolarHBondContact O-N 3.37Å; L645-N649 PolarHBondContact O-ND2 3.29Å; S646-N649 PolarHBondContact O-N 3.14Å; F647-N649 VanDerWaalsContact C-N 3.34Å; F647-N649 PolarHBondContact O-N 2.95Å; N649-Y651 PolarHBondContact O-N 2.85Å; N649-C652 VanDerWaalsContact CA-SG 3.53Å; N649-C652 WeakPolarHBondContact O-CB 3.42Å; N649-C652 PolarHBondContact O-N 3.5Å; N649-C652 PolarHBondContact O-SG 2.89Å; N649-C652 VanDerWaalsContact O-SG 3.4Å
650	F	88.8	Confident	93.1	Very high	10 Å²	10	22.6 Å²	22.6	4%	0.044	12%	0.121	C	C	.	.	H	α-helix	trans	-75.3	-15.1	178.1	81.9	-103.8	0	0	0	113	S39 F501 C514 V518 S646 F647 A648	S39-F650 WeakPolarHBondContact CB-O 3.47Å; F501-F650 HydrophobicContact CD1-CB 4.21Å; F501-F650 HydrophobicContact CD1-CG 4.48Å; F501-F650 HydrophobicContact CE1-CB 3.75Å; F501-F650 AromaticContact CE1-CD2 3.88Å; F501-F650 HydrophobicContact CE1-CD2 3.88Å; F501-F650 HydrophobicContact CE1-CG 4.06Å; F501-F650 HydrophobicContact CZ-CB 4.3Å; C514-F650 HydrophobicContact CB-CD1 4.2Å; V518-F650 HydrophobicContact CG2-CE2 4.24Å; V518-F650 HydrophobicContact CG2-CZ 4.23Å; S646-F650 PolarHBondContact O-N 3.4Å; F647-F650 HydrophobicContact CB-CE1 4.48Å; F647-F650 AromaticContact CD2-CE1 3.73Å; F647-F650 HydrophobicContact CD2-CE1 3.73Å; F647-F650 HydrophobicContact CD2-CZ 4.12Å; F647-F650 HydrophobicContact CE2-CE1 4.32Å; F647-F650 HydrophobicContact CE2-CZ 4.26Å; F647-F650 HydrophobicContact CG-CE1 4.33Å; F647-F650 WeakPolarHBondContact O-CD1 3.43Å; F647-F650 WeakPolarHBondContact O-CE1 3.48Å; A648-F650 PolarHBondContact O-N 2.88Å
651	Y	92	Very high	92.9	Very high	17 Å²	17	21.5 Å²	21.5	7%	0.067	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.7	170.5	-76.9	-64.9	0	0	0	113.5	Y12 D608 F647 A648 N649 G653 D672 R675 V676	Y12-Y651 WeakPolarHBondContact CE2-O 3.3Å; Y12-Y651 PolarHBondContact OH-O 3.31Å; D608-Y651 PolarHBondContact OD1-OH 3.06Å; F647-Y651 HydrophobicContact CD2-CE2 4.36Å; F647-Y651 HydrophobicContact CE1-CE2 4.44Å; F647-Y651 HydrophobicContact CE2-CD2 4.43Å; F647-Y651 AromaticContact CE2-CE2 3.72Å; F647-Y651 HydrophobicContact CE2-CE2 3.72Å; F647-Y651 HydrophobicContact CZ-CD2 4.28Å; F647-Y651 AromaticContact CZ-CE2 3.76Å; F647-Y651 HydrophobicContact CZ-CE2 3.76Å; F647-Y651 WeakPolarHBondContact O-CD2 3Å; A648-Y651 PolarHBondContact O-N 3.35Å; A648-Y651 VanDerWaalsContact O-N 3.15Å; N649-Y651 PolarHBondContact O-N 2.85Å; Y651-G653 PolarHBondContact O-N 3.09Å; Y651-D672 HydrophobicContact CD1-CB 4.11Å; Y651-D672 WeakPolarHBondContact O-CB 3.1Å; Y651-R675 HydrophobicContact CD1-CB 4.48Å; Y651-R675 HydrophobicContact CE1-CB 4.19Å; Y651-R675 PolarHBondContact OH-NE 3.1Å; Y651-R675 PolarHBondContact OH-NH2 3.49Å; Y651-V676 VanDerWaalsContact CB-CG2 3.42Å; Y651-V676 HydrophobicContact CD2-CG2 3.55Å; Y651-V676 HydrophobicContact CG-CG2 3.7Å
652	C	91.6	Very high	92.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.			trans	-60	127.5	180	-64.9	0	0	0	0	111.5	C21 W24 T38 S39 A648 N649	C21-C652 WeakPolarHBondContact CA-SG 3.41Å; C21-C652 HydrophobicContact CB-CB 3.74Å; C21-C652 WeakPolarHBondContact CB-SG 3.42Å; C21-C652 WeakPolarHBondContact SG-CA 3.5Å; C21-C652 WeakPolarHBondContact SG-CB 3.49Å; C21-C652 CovalentContact SG-SG 2.03Å; C21-C652 PolarHBondContact SG-SG 3.33Å; W24-C652 HydrophobicContact CB-CB 4.08Å; W24-C652 HydrophobicContact CD2-CB 3.69Å; W24-C652 HydrophobicContact CE3-CB 4.13Å; W24-C652 HydrophobicContact CG-CB 3.65Å; T38-C652 CarbonylContact C-O 3.6Å; T38-C652 VanDerWaalsContact CA-O 3.24Å; T38-C652 WeakPolarHBondContact CA-O 3.35Å; S39-C652 PolarHBondContact N-O 3.11Å; A648-C652 PolarHBondContact O-N 3.32Å; N649-C652 VanDerWaalsContact CA-SG 3.53Å; N649-C652 WeakPolarHBondContact O-CB 3.42Å; N649-C652 PolarHBondContact O-N 3.5Å; N649-C652 PolarHBondContact O-SG 2.89Å; N649-C652 VanDerWaalsContact O-SG 3.4Å
653	G	89.7	Confident	92.3	Very high	6 Å²	6	23.1 Å²	23.1	6%	0.062	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	168.3	-177.4	0	0	0	0	0	114.3	Y12 R37 Y651	Y12-G653 PolarHBondContact OH-N 3.33Å; Y12-G653 PolarHBondContact OH-O 3.22Å; R37-G653 CarbonylContact O-C 3.57Å; R37-G653 WeakPolarHBondContact O-CA 3.16Å; Y651-G653 PolarHBondContact O-N 3.09Å
654	N	89.5	Confident	92.1	Very high	47 Å²	47	23.6 Å²	23.6	25%	0.251	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.7	169.5	61	-10.6	0	0	0	110.7	I30 Q36 R37	I30-N654 HydrophobicContact CD1-CB 4.42Å; I30-N654 VanDerWaalsContact CG1-OD1 3.24Å; I30-N654 WeakPolarHBondContact CG1-OD1 3.49Å; Q36-N654 CarbonylContact C-O 3.33Å; Q36-N654 VanDerWaalsContact CA-O 3.24Å; Q36-N654 WeakPolarHBondContact CA-O 3.33Å; Q36-N654 WeakPolarHBondContact CB-O 3.41Å; R37-N654 PolarHBondContact N-O 2.87Å; R37-N654 PolarHBondContact O-N 3.37Å; R37-N654 PolarHBondContact O-OD1 2.89Å
655	S	91.4	Very high	91.6	Very high	32 Å²	32	24.1 Å²	24.1	22%	0.224	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.7	178.4	59.7	0	0	0	0	111.7	A35	A35-S655 CarbonylContact O-C 3.49Å; A35-S655 VanDerWaalsContact O-CA 3.31Å; A35-S655 WeakPolarHBondContact O-CA 3.19Å
656	T	91.3	Very high	91.2	Very high	28 Å²	28	25.5 Å²	25.5	17%	0.172	13%	0.134	C	C	.	.			trans	-65.1	152.2	168.5	69.9	0	0	0	0	109.9	I30 A35 T321 M658 F659 L660	I30-T656 HydrophobicContact CD1-CG2 4.34Å; A35-T656 PolarHBondContact O-N 2.6Å; T321-T656 PolarHBondContact O-OG1 3.13Å; T656-M658 PolarHBondContact O-N 3.21Å; T656-F659 PolarHBondContact O-N 2.89Å; T656-F659 VanDerWaalsContact OG1-CB 3.25Å; T656-F659 WeakPolarHBondContact OG1-CB 3.4Å; T656-F659 PolarHBondContact OG1-N 3.39Å; T656-F659 VanDerWaalsContact OG1-N 3.15Å; T656-L660 PolarHBondContact O-N 3.01Å
657	N	91.9	Very high	91	Very high	88 Å²	88	27.1 Å²	27.1	47%	0.471	14%	0.142	S	C	.	.	H	α-helix	trans	-59.9	-37.1	177.7	-75.5	10.6	0	0	0	111.8	E589 L590 L660 H661	E589-N657 PolarHBondContact O-ND2 3.31Å; L590-N657 HydrophobicContact CD2-CB 3.53Å; L590-N657 VanDerWaalsContact CD2-O 3.29Å; L590-N657 WeakPolarHBondContact CD2-O 3.41Å; N657-L660 PolarHBondContact O-N 3.07Å; N657-H661 WeakPolarHBondContact O-CB 3.23Å; N657-H661 PolarHBondContact O-N 3.39Å
658	M	89.8	Confident	90.8	Very high	41 Å²	41	29.8 Å²	29.8	20%	0.202	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-41.6	179.2	-168.1	61.9	71.2	0	0	111.7	I176 F320 S322 T656 H661 K662	I176-M658 HydrophobicContact CD1-SD 4.36Å; F320-M658 WeakPolarHBondContact O-CG 3.46Å; S322-M658 WeakPolarHBondContact OG-CB 3.39Å; T656-M658 PolarHBondContact O-N 3.21Å; M658-H661 PolarHBondContact O-N 3.16Å; M658-K662 PolarHBondContact O-N 2.93Å
659	F	91.1	Very high	90.8	Very high	37 Å²	37	32.4 Å²	32.4	16%	0.162	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-41.3	174	-178.4	-92.3	0	0	0	112.4	A35 Q36 T656 H661 K662 M663	A35-F659 HydrophobicContact CB-CB 3.71Å; A35-F659 HydrophobicContact CB-CD2 3.38Å; A35-F659 HydrophobicContact CB-CE2 4.13Å; A35-F659 HydrophobicContact CB-CG 3.65Å; Q36-F659 HydrophobicContact CB-CD1 4.4Å; Q36-F659 HydrophobicContact CB-CE1 4.21Å; Q36-F659 HydrophobicContact CG-CE1 4.25Å; Q36-F659 HydrophobicContact CG-CZ 4.3Å; T656-F659 PolarHBondContact O-N 2.89Å; T656-F659 VanDerWaalsContact OG1-CB 3.25Å; T656-F659 WeakPolarHBondContact OG1-CB 3.4Å; T656-F659 PolarHBondContact OG1-N 3.39Å; T656-F659 VanDerWaalsContact OG1-N 3.15Å; F659-H661 VanDerWaalsContact C-N 3.34Å; F659-H661 PolarHBondContact O-N 3.34Å; F659-K662 CarbonylContact O-C 3.47Å; F659-K662 WeakPolarHBondContact O-CB 3.45Å; F659-K662 PolarHBondContact O-N 3.23Å; F659-M663 HydrophobicContact CE1-CE 4.17Å; F659-M663 WeakPolarHBondContact O-CB 3.2Å; F659-M663 PolarHBondContact O-N 2.75Å
660	L	92.6	Very high	91.1	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.068	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-42.3	176.6	-171.9	59.9	0	0	0	111.5	Y587 L590 T656 N657 K662 M663 I664 P671	Y587-L660 HydrophobicContact CD1-CD2 3.63Å; Y587-L660 HydrophobicContact CE1-CD2 4Å; Y587-L660 HydrophobicContact CG-CD2 4.26Å; L590-L660 HydrophobicContact CD1-CB 4.15Å; L590-L660 HydrophobicContact CD1-CD2 3.94Å; L590-L660 HydrophobicContact CD1-CG 3.81Å; L590-L660 HydrophobicContact CD2-CB 4.49Å; L590-L660 HydrophobicContact CD2-CD2 4.45Å; L590-L660 HydrophobicContact CG-CD2 4.44Å; T656-L660 PolarHBondContact O-N 3.01Å; N657-L660 PolarHBondContact O-N 3.07Å; L660-K662 VanDerWaalsContact C-N 3.32Å; L660-K662 PolarHBondContact O-N 3.25Å; L660-M663 PolarHBondContact O-N 2.96Å; L660-I664 HydrophobicContact CD1-CD1 4.45Å; L660-I664 HydrophobicContact CG-CD1 4.16Å; L660-I664 WeakPolarHBondContact O-CG1 3.49Å; L660-I664 PolarHBondContact O-N 3.21Å; L660-P671 HydrophobicContact CD1-CB 3.76Å; L660-P671 HydrophobicContact CD1-CG 3.71Å
661	H	91.8	Very high	91.4	Very high	15 Å²	15	29.1 Å²	29.1	7%	0.069	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-42.1	173.6	-176.1	-78	0	0	0	111.5	Y173 L590 N657 M658 F659 N665	Y173-H661 AromaticContact CE1-CE1 3.95Å; Y173-H661 AromaticContact CZ-CE1 3.89Å; L590-H661 HydrophobicContact CD1-CB 4.26Å; N657-H661 WeakPolarHBondContact O-CB 3.23Å; N657-H661 PolarHBondContact O-N 3.39Å; M658-H661 PolarHBondContact O-N 3.16Å; F659-H661 VanDerWaalsContact C-N 3.34Å; F659-H661 PolarHBondContact O-N 3.34Å; H661-N665 PolarHBondContact CE1-ND2 3.03Å; H661-N665 PolarHBondContact ND1-ND2 2.67Å; H661-N665 PolarHBondContact O-N 2.71Å; H661-N665 PolarHBondContact O-ND2 3.41Å
662	K	89.7	Confident	91.5	Very high	44 Å²	44	29.8 Å²	29.8	19%	0.191	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-50.1	173.1	179.9	-179	174.6	179.5	0	111.5	Y165 F320 T321 M658 F659 L660 I664 N665 I666	Y165-K662 VanDerWaalsContact OH-CA 3.27Å; Y165-K662 WeakPolarHBondContact OH-CA 3.44Å; F320-K662 HydrophobicContact CD1-CD 4.39Å; F320-K662 HydrophobicContact CE1-CD 3.95Å; F320-K662 HydrophobicContact CE2-CD 4.29Å; F320-K662 HydrophobicContact CE2-CG 4.47Å; F320-K662 HydrophobicContact CZ-CD 3.89Å; F320-K662 HydrophobicContact CZ-CG 4.21Å; T321-K662 HydrophobicContact CG2-CD 3.67Å; M658-K662 PolarHBondContact O-N 2.93Å; F659-K662 CarbonylContact O-C 3.47Å; F659-K662 WeakPolarHBondContact O-CB 3.45Å; F659-K662 PolarHBondContact O-N 3.23Å; L660-K662 VanDerWaalsContact C-N 3.32Å; L660-K662 PolarHBondContact O-N 3.25Å; K662-I664 PolarHBondContact O-N 3.43Å; K662-N665 PolarHBondContact O-N 2.9Å; K662-I666 HydrophobicContact CD-CD1 4.1Å; K662-I666 VanDerWaalsContact CE-CD1 3.42Å; K662-I666 HydrophobicContact CG-CD1 3.54Å; K662-I666 HydrophobicContact CG-CG1 4.16Å; K662-I666 WeakPolarHBondContact O-CG1 3.44Å; K662-I666 PolarHBondContact O-N 3.42Å
663	M	91.7	Very high	91.5	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-55.6	-50.1	-179.9	-173	-175.4	-119.7	0	0	111.5	F659 L660 N665 I666 N667 P671	F659-M663 HydrophobicContact CE1-CE 4.17Å; F659-M663 WeakPolarHBondContact O-CB 3.2Å; F659-M663 PolarHBondContact O-N 2.75Å; L660-M663 PolarHBondContact O-N 2.96Å; M663-N665 PolarHBondContact O-N 3.19Å; M663-I666 PolarHBondContact O-N 3.43Å; M663-N667 HydrophobicContact CB-CB 4.42Å; M663-N667 HydrophobicContact CG-CB 3.71Å; M663-N667 WeakPolarHBondContact O-CA 3.42Å; M663-N667 WeakPolarHBondContact O-CB 3.44Å; M663-N667 PolarHBondContact O-N 2.98Å; M663-P671 HydrophobicContact SD-CB 4.21Å; M663-P671 HydrophobicContact SD-CG 4.33Å
664	I	92.4	Very high	91.7	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-32.2	178.1	-70.3	169.2	0	0	0	112	Y587 L590 V594 C595 L660 K662 P671	Y587-I664 HydrophobicContact CD2-CD1 3.59Å; Y587-I664 HydrophobicContact CE2-CD1 4.19Å; Y587-I664 HydrophobicContact CG-CD1 3.99Å; L590-I664 HydrophobicContact CD1-CD1 3.66Å; V594-I664 HydrophobicContact CG1-CD1 3.99Å; V594-I664 HydrophobicContact CG1-CG2 4.24Å; C595-I664 WeakPolarHBondContact O-CG2 3.34Å; L660-I664 HydrophobicContact CD1-CD1 4.45Å; L660-I664 HydrophobicContact CG-CD1 4.16Å; L660-I664 WeakPolarHBondContact O-CG1 3.49Å; L660-I664 PolarHBondContact O-N 3.21Å; K662-I664 PolarHBondContact O-N 3.43Å; I664-P671 HydrophobicContact CG1-CG 4.1Å
665	N	87.4	Confident	92.1	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-82.2	-38.1	-177.4	-83	-64.5	0	0	0	114.3	Y165 Y173 K597 H661 K662 M663	Y165-N665 HydrophobicContact CE2-CB 4.44Å; Y173-N665 PolarHBondContact OH-ND2 2.76Å; Y173-N665 PolarHBondContact OH-OD1 2.98Å; K597-N665 PolarHBondContact NZ-O 3.37Å; K597-N665 PolarHBondContact NZ-OD1 3.26Å; H661-N665 PolarHBondContact CE1-ND2 3.03Å; H661-N665 PolarHBondContact ND1-ND2 2.67Å; H661-N665 PolarHBondContact O-N 2.71Å; H661-N665 PolarHBondContact O-ND2 3.41Å; K662-N665 PolarHBondContact O-N 2.9Å; M663-N665 PolarHBondContact O-N 3.19Å
666	I	87.4	Confident	92.3	Very high	35 Å²	35	30 Å²	30	18%	0.179	15%	0.145	C	C	.	.	H	α-helix	trans	-120.2	-27.2	-167.6	77.7	-178.3	0	0	0	114.6	Y165 K662 M663	Y165-I666 HydrophobicContact CE2-CG2 3.98Å; K662-I666 HydrophobicContact CD-CD1 4.1Å; K662-I666 VanDerWaalsContact CE-CD1 3.42Å; K662-I666 HydrophobicContact CG-CD1 3.54Å; K662-I666 HydrophobicContact CG-CG1 4.16Å; K662-I666 WeakPolarHBondContact O-CG1 3.44Å; K662-I666 PolarHBondContact O-N 3.42Å; M663-I666 PolarHBondContact O-N 3.43Å
667	N	90	Very high	92.5	Very high	46 Å²	46	28.8 Å²	28.8	25%	0.246	14%	0.138	C	C	.	.			trans	-81.9	140.1	-174.3	-161.9	-26.3	0	0	0	110.1	N600 M663 H669	N600-N667 PolarHBondContact ND2-O 3.45Å; M663-N667 HydrophobicContact CB-CB 4.42Å; M663-N667 HydrophobicContact CG-CB 3.71Å; M663-N667 WeakPolarHBondContact O-CA 3.42Å; M663-N667 WeakPolarHBondContact O-CB 3.44Å; M663-N667 PolarHBondContact O-N 2.98Å; N667-H669 VanDerWaalsContact C-N 3.34Å; N667-H669 PolarHBondContact OD1-N 2.93Å; N667-H669 PolarHBondContact OD1-ND1 3.31Å
668	E	92.1	Very high	92.8	Very high	58 Å²	58	24.6 Å²	24.6	27%	0.271	12%	0.115	S	C	.	.	S	Bend	trans	-80.3	-16.1	174.9	62.9	-154.8	163	0	0	113.3	R161 K230 T601 E604	R161-E668 IonicContact CZ-OE2 3.94Å; R161-E668 IonicContact NH1-OE1 2.91Å; R161-E668 IonicContact NH1-OE2 3.69Å; R161-E668 PolarHBondContact NH1-OE2 3.26Å; R161-E668 IonicContact NH2-OE1 2.75Å; R161-E668 IonicContact NH2-OE2 3.61Å; R161-E668 PolarHBondContact NH2-OE2 3.13Å; K230-E668 IonicContact NZ-OE2 2.75Å; T601-E668 WeakPolarHBondContact CA-O 3.33Å; T601-E668 WeakPolarHBondContact CB-O 3.47Å; T601-E668 WeakPolarHBondContact CG2-O 3.43Å; E604-E668 HydrophobicContact CG-CB 4.25Å; E604-E668 HydrophobicContact CG-CG 3.98Å; E604-E668 WeakPolarHBondContact CG-O 3.28Å
669	H	94.5	Very high	93.2	Very high	54 Å²	54	22.7 Å²	22.7	25%	0.25	11%	0.106	C	C	.	.	S	Bend	trans	-81.2	137.1	170	-56.4	89.2	0	0	0	110.2	E604 N667 R675	E604-H669 HydrophobicContact CG-CB 4.49Å; E604-H669 IonicContact OE2-CD2 3.45Å; E604-H669 PolarHBondContact OE2-CD2 3.34Å; E604-H669 VanDerWaalsContact OE2-CD2 3.3Å; E604-H669 IonicContact OE2-NE2 3.18Å; E604-H669 PolarHBondContact OE2-NE2 2.97Å; N667-H669 VanDerWaalsContact C-N 3.34Å; N667-H669 PolarHBondContact OD1-N 2.93Å; N667-H669 PolarHBondContact OD1-ND1 3.31Å; H669-R675 PolarHBondContact CD2-NH1 2.9Å
670	A	96.2	Very high	93.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-63.8	155.1	161.8	0	0	0	0	0	109.8	Y582 V596 T601 T674 R675	Y582-A670 HydrophobicContact CD1-CB 4.13Å; Y582-A670 HydrophobicContact CE1-CB 4.26Å; V596-A670 HydrophobicContact CG1-CB 4.21Å; T601-A670 HydrophobicContact CG2-CB 4.34Å; A670-T674 HydrophobicContact CB-CG2 3.73Å; A670-R675 HydrophobicContact CB-CG 4.09Å; A670-R675 VanDerWaalsContact O-CD 3.28Å; A670-R675 WeakPolarHBondContact O-CD 3.39Å; A670-R675 VanDerWaalsContact O-CG 3.28Å; A670-R675 WeakPolarHBondContact O-CG 3.37Å
671	P	94.7	Very high	93.7	Very high	7 Å²	7	21.4 Å²	21.4	5%	0.045	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-59.2	149.5	174.6	-21.6	32.6	0	0	0	111.7	Y587 V596 L660 M663 I664 R673 T674 R675	Y587-P671 HydrophobicContact CE2-CG 3.93Å; Y587-P671 WeakPolarHBondContact OH-CB 3.5Å; V596-P671 HydrophobicContact CG2-CG 4.46Å; L660-P671 HydrophobicContact CD1-CB 3.76Å; L660-P671 HydrophobicContact CD1-CG 3.71Å; M663-P671 HydrophobicContact SD-CB 4.21Å; M663-P671 HydrophobicContact SD-CG 4.33Å; I664-P671 HydrophobicContact CG1-CG 4.1Å; P671-R673 VanDerWaalsContact C-N 3.29Å; P671-R673 PolarHBondContact O-N 3.23Å; P671-R673 VanDerWaalsContact O-N 3.13Å; P671-T674 WeakPolarHBondContact O-CA 3.16Å; P671-T674 VanDerWaalsContact O-CB 3.32Å; P671-T674 WeakPolarHBondContact O-CB 3.48Å; P671-T674 PolarHBondContact O-N 2.78Å; P671-R675 PolarHBondContact O-N 3.07Å
672	D	93.5	Very high	94.1	Very high	32 Å²	32	20.8 Å²	20.8	17%	0.171	10%	0.098	C	C	.	.	H	α-helix	trans	-53.5	-40.9	-169.2	-67.4	-26.4	0	0	0	113.9	Y651 T674 R675 V676	Y651-D672 HydrophobicContact CD1-CB 4.11Å; Y651-D672 WeakPolarHBondContact O-CB 3.1Å; D672-T674 VanDerWaalsContact C-N 3.33Å; D672-T674 PolarHBondContact O-N 3.04Å; D672-R675 WeakPolarHBondContact O-CB 3.38Å; D672-R675 PolarHBondContact O-N 2.98Å; D672-V676 PolarHBondContact O-N 3.36Å
673	R	91.9	Very high	94.4	Very high	65 Å²	65	19.5 Å²	19.5	25%	0.245	9%	0.092	C	C	.	.	H	α-helix	trans	-55.2	-48.5	172.7	176.8	177.7	-179.7	-74.6	-6.2	111.8	D10 Y12 E13 P671 R675 V676 V677	D10-R673 IonicContact OD2-CZ 3.79Å; D10-R673 IonicContact OD2-NE 3.2Å; D10-R673 IonicContact OD2-NH2 2.67Å; D10-R673 PolarHBondContact OD2-NH2 3.22Å; Y12-R673 HydrophobicContact CD1-CB 3.53Å; Y12-R673 HydrophobicContact CD1-CG 3.5Å; Y12-R673 HydrophobicContact CE1-CB 3.63Å; Y12-R673 HydrophobicContact CE1-CG 4.12Å; Y12-R673 HydrophobicContact CG-CB 4.15Å; Y12-R673 HydrophobicContact CG-CG 4.03Å; E13-R673 PolarHBondContact O-NE 3.26Å; E13-R673 PolarHBondContact O-NH2 2.95Å; P671-R673 VanDerWaalsContact C-N 3.29Å; P671-R673 PolarHBondContact O-N 3.23Å; P671-R673 VanDerWaalsContact O-N 3.13Å; R673-R675 VanDerWaalsContact C-N 3.34Å; R673-V676 PolarHBondContact O-N 3.4Å; R673-V677 HydrophobicContact CG-CG2 4.34Å; R673-V677 WeakPolarHBondContact O-CB 3.37Å; R673-V677 WeakPolarHBondContact O-CG2 3.14Å; R673-V677 PolarHBondContact O-N 2.94Å
674	T	95.4	Very high	94.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.2	-38.3	179.2	-68.2	0	0	0	0	111.2	Y582 F585 Y587 V596 A670 P671 D672 V676 G678	Y582-T674 HydrophobicContact CD1-CG2 3.53Å; Y582-T674 HydrophobicContact CE1-CG2 3.69Å; F585-T674 HydrophobicContact CB-CG2 4.06Å; F585-T674 HydrophobicContact CD2-CG2 3.26Å; F585-T674 HydrophobicContact CE2-CG2 3.76Å; F585-T674 HydrophobicContact CG-CG2 3.71Å; Y587-T674 PolarHBondContact OH-OG1 3.01Å; V596-T674 HydrophobicContact CG2-CG2 4.37Å; A670-T674 HydrophobicContact CB-CG2 3.73Å; P671-T674 WeakPolarHBondContact O-CA 3.16Å; P671-T674 VanDerWaalsContact O-CB 3.32Å; P671-T674 WeakPolarHBondContact O-CB 3.48Å; P671-T674 PolarHBondContact O-N 2.78Å; D672-T674 VanDerWaalsContact C-N 3.33Å; D672-T674 PolarHBondContact O-N 3.04Å; T674-V676 VanDerWaalsContact C-N 3.33Å; T674-V676 PolarHBondContact O-N 3.14Å; T674-G678 WeakPolarHBondContact O-CA 3.32Å; T674-G678 PolarHBondContact O-N 3.21Å
675	R	96.9	Very high	94.9	Very high	23 Å²	23	25.9 Å²	25.9	9%	0.087	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-44.2	175.6	-62	-176.7	74.7	166.3	5	111.3	H521 D608 Y651 H669 A670 P671 D672 R673 T679	H521-R675 PolarHBondContact CE1-NH2 3.17Å; D608-R675 IonicContact OD1-CZ 2.98Å; D608-R675 IonicContact OD1-NE 3.77Å; D608-R675 IonicContact OD1-NH2 2.98Å; D608-R675 PolarHBondContact OD1-NH2 2.82Å; D608-R675 IonicContact OD2-CZ 2.69Å; D608-R675 IonicContact OD2-NE 3.13Å; D608-R675 PolarHBondContact OD2-NE 3.31Å; D608-R675 IonicContact OD2-NH2 3.91Å; D608-R675 PolarHBondContact OD2-NH2 2.9Å; Y651-R675 HydrophobicContact CD1-CB 4.48Å; Y651-R675 HydrophobicContact CE1-CB 4.19Å; Y651-R675 PolarHBondContact OH-NE 3.1Å; Y651-R675 PolarHBondContact OH-NH2 3.49Å; H669-R675 PolarHBondContact CD2-NH1 2.9Å; A670-R675 HydrophobicContact CB-CG 4.09Å; A670-R675 VanDerWaalsContact O-CD 3.28Å; A670-R675 WeakPolarHBondContact O-CD 3.39Å; A670-R675 VanDerWaalsContact O-CG 3.28Å; A670-R675 WeakPolarHBondContact O-CG 3.37Å; P671-R675 PolarHBondContact O-N 3.07Å; D672-R675 WeakPolarHBondContact O-CB 3.38Å; D672-R675 PolarHBondContact O-N 2.98Å; R673-R675 VanDerWaalsContact C-N 3.34Å; R675-T679 WeakPolarHBondContact O-CB 3.45Å; R675-T679 PolarHBondContact O-N 3Å; R675-T679 PolarHBondContact O-OG1 3.47Å
676	V	95.8	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-67.3	-56.3	176.6	175.8	0	0	0	0	111.5	F11 Y12 F647 A648 Y651 D672 R673 T674 T679 L680	F11-V676 HydrophobicContact CD1-CG1 4.25Å; Y12-V676 HydrophobicContact CD2-CB 3.95Å; Y12-V676 HydrophobicContact CD2-CG1 4.21Å; Y12-V676 HydrophobicContact CD2-CG2 3.81Å; Y12-V676 HydrophobicContact CE2-CG2 4.23Å; F647-V676 HydrophobicContact CE1-CG1 4.48Å; F647-V676 HydrophobicContact CE1-CG2 4.4Å; A648-V676 HydrophobicContact CB-CG1 3.81Å; A648-V676 HydrophobicContact CB-CG2 4.41Å; Y651-V676 VanDerWaalsContact CB-CG2 3.42Å; Y651-V676 HydrophobicContact CD2-CG2 3.55Å; Y651-V676 HydrophobicContact CG-CG2 3.7Å; D672-V676 PolarHBondContact O-N 3.36Å; R673-V676 PolarHBondContact O-N 3.4Å; T674-V676 VanDerWaalsContact C-N 3.33Å; T674-V676 PolarHBondContact O-N 3.14Å; V676-T679 PolarHBondContact O-N 2.93Å; V676-L680 HydrophobicContact CG1-CD1 3.77Å; V676-L680 HydrophobicContact CG1-CG 4.47Å; V676-L680 WeakPolarHBondContact O-CB 2.92Å; V676-L680 VanDerWaalsContact O-CG 3.3Å; V676-L680 WeakPolarHBondContact O-CG 3.31Å; V676-L680 PolarHBondContact O-N 2.73Å
677	V	95.7	Very high	96	Very high	3 Å²	3	24 Å²	24	2%	0.018	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-50.6	-173.6	171.5	0	0	0	0	111.3	F585 R673 T679 L680 Q681 M698	F585-V677 HydrophobicContact CE1-CG1 3.92Å; F585-V677 HydrophobicContact CZ-CG1 4.2Å; R673-V677 HydrophobicContact CG-CG2 4.34Å; R673-V677 WeakPolarHBondContact O-CB 3.37Å; R673-V677 WeakPolarHBondContact O-CG2 3.14Å; R673-V677 PolarHBondContact O-N 2.94Å; V677-T679 VanDerWaalsContact C-N 3.28Å; V677-T679 PolarHBondContact O-N 3.34Å; V677-L680 PolarHBondContact O-N 2.97Å; V677-Q681 HydrophobicContact CG1-CG 4.32Å; V677-Q681 WeakPolarHBondContact O-CB 3.4Å; V677-Q681 VanDerWaalsContact O-CG 3.23Å; V677-Q681 WeakPolarHBondContact O-CG 3.25Å; V677-Q681 PolarHBondContact O-N 3.08Å; V677-M698 HydrophobicContact CB-SD 4.46Å; V677-M698 HydrophobicContact CG1-SD 3.91Å; V677-M698 HydrophobicContact CG2-SD 4.29Å
678	G	97.2	Very high	96.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-36.8	-178.8	0	0	0	0	0	112.7	Q581 T674 N682	Q581-G678 PolarHBondContact NE2-O 2.98Å; T674-G678 WeakPolarHBondContact O-CA 3.32Å; T674-G678 PolarHBondContact O-N 3.21Å; G678-N682 PolarHBondContact O-ND2 2.95Å
679	T	98.3	Very high	96.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-71.5	-47.3	177.7	-63.3	0	0	0	0	112.8	D608 N609 I612 F647 R675 V676 V677 Q681 N682	D608-T679 WeakPolarHBondContact CB-OG1 3.4Å; N609-T679 PolarHBondContact ND2-OG1 3.2Å; N609-T679 WeakPolarHBondContact OD1-CA 3.38Å; I612-T679 HydrophobicContact CB-CG2 4.26Å; I612-T679 HydrophobicContact CD1-CG2 4.32Å; I612-T679 HydrophobicContact CG2-CG2 3.52Å; F647-T679 HydrophobicContact CE1-CG2 4.28Å; F647-T679 HydrophobicContact CZ-CG2 3.82Å; R675-T679 WeakPolarHBondContact O-CB 3.45Å; R675-T679 PolarHBondContact O-N 3Å; R675-T679 PolarHBondContact O-OG1 3.47Å; V676-T679 PolarHBondContact O-N 2.93Å; V677-T679 VanDerWaalsContact C-N 3.28Å; V677-T679 PolarHBondContact O-N 3.34Å; T679-Q681 PolarHBondContact O-N 3.27Å; T679-N682 PolarHBondContact O-N 3.33Å
680	L	97.9	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-71.3	-30.6	-178.2	-64.7	179.6	0	0	0	112.5	F11 I612 F644 F647 V676 V677 N682 F683 F686 M698	F11-L680 HydrophobicContact CB-CD1 4.16Å; F11-L680 HydrophobicContact CD1-CD1 3.25Å; F11-L680 HydrophobicContact CE1-CD1 3.77Å; F11-L680 HydrophobicContact CG-CD1 3.84Å; I612-L680 HydrophobicContact CD1-CD2 3.74Å; F644-L680 HydrophobicContact CD1-CD2 3.81Å; F644-L680 HydrophobicContact CE1-CD2 4.35Å; F647-L680 HydrophobicContact CD1-CD1 4.47Å; F647-L680 HydrophobicContact CD1-CD2 4.03Å; F647-L680 HydrophobicContact CD1-CG 4.35Å; F647-L680 HydrophobicContact CE1-CD2 4.1Å; F647-L680 HydrophobicContact CE1-CG 4.13Å; V676-L680 HydrophobicContact CG1-CD1 3.77Å; V676-L680 HydrophobicContact CG1-CG 4.47Å; V676-L680 WeakPolarHBondContact O-CB 2.92Å; V676-L680 VanDerWaalsContact O-CG 3.3Å; V676-L680 WeakPolarHBondContact O-CG 3.31Å; V676-L680 PolarHBondContact O-N 2.73Å; V677-L680 PolarHBondContact O-N 2.97Å; L680-N682 PolarHBondContact O-N 3.42Å; L680-F683 PolarHBondContact O-N 3.32Å; L680-F683 VanDerWaalsContact O-N 3.16Å; L680-F686 HydrophobicContact CB-CD1 3.95Å; L680-F686 HydrophobicContact CB-CD2 4.26Å; L680-F686 HydrophobicContact CB-CE1 4.24Å; L680-F686 HydrophobicContact CB-CE2 4.47Å; L680-F686 HydrophobicContact CB-CG 3.99Å; L680-F686 HydrophobicContact CB-CZ 4.47Å; L680-F686 HydrophobicContact CD1-CD2 4.01Å; L680-F686 HydrophobicContact CD1-CE2 3.89Å; L680-F686 HydrophobicContact CD1-CZ 4.38Å; L680-F686 HydrophobicContact CD2-CB 4.14Å; L680-F686 HydrophobicContact CD2-CD2 3.9Å; L680-F686 HydrophobicContact CD2-CG 4Å; L680-F686 HydrophobicContact CG-CD2 4.27Å; L680-F686 HydrophobicContact CG-CG 4.4Å; L680-M698 HydrophobicContact CB-CE 3.57Å; L680-M698 HydrophobicContact CD1-CE 4.29Å
681	Q	97.9	Very high	96.8	Very high	23 Å²	23	31.2 Å²	31.2	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-54	-34.4	169.9	-83.2	179.5	-18.7	0	0	112.7	Q581 V677 T679 V697 P700 K703	Q581-Q681 VanDerWaalsContact NE2-OE1 3.13Å; V677-Q681 HydrophobicContact CG1-CG 4.32Å; V677-Q681 WeakPolarHBondContact O-CB 3.4Å; V677-Q681 VanDerWaalsContact O-CG 3.23Å; V677-Q681 WeakPolarHBondContact O-CG 3.25Å; V677-Q681 PolarHBondContact O-N 3.08Å; T679-Q681 PolarHBondContact O-N 3.27Å; Q681-V697 WeakPolarHBondContact CG-O 3.46Å; Q681-V697 PolarHBondContact NE2-O 2.98Å; Q681-P700 HydrophobicContact CB-CG 3.94Å; Q681-P700 HydrophobicContact CG-CG 4.14Å; Q681-K703 PolarHBondContact O-NZ 3.4Å
682	N	98.2	Very high	96.9	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.5	-176.6	-69.2	-33.4	0	0	0	114.4	F578 Q581 N609 K613 G678 T679 L680 C704	F578-N682 WeakPolarHBondContact CE1-ND2 3.33Å; Q581-N682 PolarHBondContact NE2-ND2 2.9Å; Q581-N682 PolarHBondContact NE2-OD1 2.71Å; Q581-N682 PolarHBondContact OE1-ND2 3.31Å; N609-N682 VanDerWaalsContact OD1-CB 3.26Å; N609-N682 WeakPolarHBondContact OD1-CB 3.4Å; N609-N682 PolarHBondContact OD1-ND2 3.12Å; K613-N682 PolarHBondContact NZ-O 3.08Å; G678-N682 PolarHBondContact O-ND2 2.95Å; T679-N682 PolarHBondContact O-N 3.33Å; L680-N682 PolarHBondContact O-N 3.42Å; N682-C704 WeakPolarHBondContact CB-O 3.25Å; N682-C704 PolarHBondContact OD1-N 3.07Å
683	F	97.8	Very high	97.1	Very high	17 Å²	17	34 Å²	34	8%	0.075	17%	0.173	C	C	.	.			trans	-120.8	105.8	-173.7	-159.9	-179.3	0	0	0	112.6	I612 K613 F616 F644 L680 E685 F686 A687	I612-F683 HydrophobicContact CD1-CD1 4.15Å; I612-F683 HydrophobicContact CD1-CE1 4.38Å; I612-F683 HydrophobicContact CG1-CD1 4.33Å; I612-F683 HydrophobicContact CG1-CE1 4.14Å; I612-F683 HydrophobicContact CG2-CD1 3.9Å; I612-F683 HydrophobicContact CG2-CE1 4.1Å; K613-F683 HydrophobicContact CB-CZ 4.47Å; K613-F683 HydrophobicContact CG-CD1 4.41Å; K613-F683 HydrophobicContact CG-CD2 4.11Å; K613-F683 HydrophobicContact CG-CE1 4.2Å; K613-F683 HydrophobicContact CG-CE2 3.88Å; K613-F683 HydrophobicContact CG-CG 4.38Å; K613-F683 HydrophobicContact CG-CZ 3.94Å; F616-F683 HydrophobicContact CB-CE1 3.99Å; F616-F683 HydrophobicContact CB-CZ 3.74Å; F616-F683 AromaticContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CD1-CZ 3.84Å; F616-F683 HydrophobicContact CG-CE1 4.28Å; F616-F683 AromaticContact CG-CZ 3.88Å; F616-F683 HydrophobicContact CG-CZ 3.88Å; F644-F683 AromaticContact CE1-CD1 3.61Å; F644-F683 HydrophobicContact CE1-CD1 3.61Å; F644-F683 AromaticContact CE1-CE1 3.61Å; F644-F683 HydrophobicContact CE1-CE1 3.61Å; F644-F683 HydrophobicContact CZ-CD1 4.15Å; F644-F683 AromaticContact CZ-CE1 3.97Å; F644-F683 HydrophobicContact CZ-CE1 3.97Å; F644-F683 HydrophobicContact CZ-CZ 4.49Å; L680-F683 PolarHBondContact O-N 3.32Å; L680-F683 VanDerWaalsContact O-N 3.16Å; F683-E685 VanDerWaalsContact C-N 3.31Å; F683-E685 HydrophobicContact CD2-CB 4.08Å; F683-E685 HydrophobicContact CE2-CB 3.67Å; F683-E685 HydrophobicContact CE2-CG 3.86Å; F683-E685 HydrophobicContact CZ-CB 4.07Å; F683-E685 HydrophobicContact CZ-CG 4.45Å; F683-E685 PolarHBondContact O-N 3.33Å; F683-F686 HydrophobicContact CB-CB 4.27Å; F683-F686 WeakPolarHBondContact O-CB 3.33Å; F683-F686 PolarHBondContact O-N 3.21Å; F683-F686 VanDerWaalsContact O-N 3.11Å; F683-A687 PolarHBondContact O-N 2.8Å
684	D	97.2	Very high	97.4	Very high	99 Å²	99	36.6 Å²	36.6	53%	0.529	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-34.6	-177.5	-64.2	-31	0	0	0	113.6	F686 A687 K688 K703	D684-F686 VanDerWaalsContact C-N 3.25Å; D684-F686 PolarHBondContact O-N 3.41Å; D684-A687 PolarHBondContact O-N 3.07Å; D684-K688 WeakPolarHBondContact O-CB 3.31Å; D684-K688 PolarHBondContact O-N 2.72Å; D684-K703 WeakPolarHBondContact OD1-CD 3.39Å; D684-K703 WeakPolarHBondContact OD1-CE 3.5Å; D684-K703 IonicContact OD1-NZ 3.85Å; D684-K703 PolarHBondContact OD1-NZ 3.1Å
685	E	97.6	Very high	97.4	Very high	68 Å²	68	39.1 Å²	39.1	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-66	-29	177.3	-66.4	-65.6	158.4	0	0	112.1	F616 F644 F683 K688 A689	F616-E685 HydrophobicContact CD1-CB 4.23Å; F616-E685 HydrophobicContact CD1-CG 4.2Å; F616-E685 HydrophobicContact CE1-CB 3.68Å; F616-E685 HydrophobicContact CE1-CG 3.67Å; F616-E685 HydrophobicContact CZ-CB 4.06Å; F616-E685 HydrophobicContact CZ-CG 4.46Å; F644-E685 HydrophobicContact CZ-CB 4.14Å; F683-E685 VanDerWaalsContact C-N 3.31Å; F683-E685 HydrophobicContact CD2-CB 4.08Å; F683-E685 HydrophobicContact CE2-CB 3.67Å; F683-E685 HydrophobicContact CE2-CG 3.86Å; F683-E685 HydrophobicContact CZ-CB 4.07Å; F683-E685 HydrophobicContact CZ-CG 4.45Å; F683-E685 PolarHBondContact O-N 3.33Å; E685-K688 IonicContact OE1-NZ 2.7Å; E685-K688 IonicContact OE2-NZ 3.74Å; E685-A689 VanDerWaalsContact O-CB 3.27Å; E685-A689 WeakPolarHBondContact O-CB 3.42Å; E685-A689 PolarHBondContact O-N 3.06Å
686	F	98.3	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-51.3	170.5	162.8	-93.8	0	0	0	110.7	F11 F644 L680 F683 D684 K688 A689 F690 M698	F11-F686 HydrophobicContact CB-CZ 4.24Å; F11-F686 HydrophobicContact CD1-CE2 4.23Å; F11-F686 AromaticContact CD2-CE2 3.49Å; F11-F686 HydrophobicContact CD2-CE2 3.49Å; F11-F686 VanDerWaalsContact CD2-CE2 3.49Å; F11-F686 AromaticContact CD2-CZ 3.65Å; F11-F686 HydrophobicContact CD2-CZ 3.65Å; F11-F686 HydrophobicContact CE1-CE2 4.26Å; F11-F686 AromaticContact CE2-CE2 3.56Å; F11-F686 HydrophobicContact CE2-CE2 3.56Å; F11-F686 HydrophobicContact CE2-CZ 4.15Å; F11-F686 AromaticContact CG-CE2 3.84Å; F11-F686 HydrophobicContact CG-CE2 3.84Å; F11-F686 AromaticContact CG-CZ 3.98Å; F11-F686 HydrophobicContact CG-CZ 3.98Å; F11-F686 AromaticContact CZ-CE2 3.94Å; F11-F686 HydrophobicContact CZ-CE2 3.94Å; F644-F686 HydrophobicContact CB-CD2 4.11Å; F644-F686 HydrophobicContact CD1-CB 4.03Å; F644-F686 HydrophobicContact CD1-CD2 4.13Å; F644-F686 HydrophobicContact CD2-CB 4.42Å; F644-F686 HydrophobicContact CD2-CD2 4.29Å; F644-F686 HydrophobicContact CE1-CB 3.79Å; F644-F686 HydrophobicContact CE2-CB 4.2Å; F644-F686 HydrophobicContact CG-CB 4.36Å; F644-F686 AromaticContact CG-CD2 3.92Å; F644-F686 HydrophobicContact CG-CD2 3.92Å; F644-F686 HydrophobicContact CZ-CB 3.89Å; L680-F686 HydrophobicContact CB-CD1 3.95Å; L680-F686 HydrophobicContact CB-CD2 4.26Å; L680-F686 HydrophobicContact CB-CE1 4.24Å; L680-F686 HydrophobicContact CB-CE2 4.47Å; L680-F686 HydrophobicContact CB-CG 3.99Å; L680-F686 HydrophobicContact CB-CZ 4.47Å; L680-F686 HydrophobicContact CD1-CD2 4.01Å; L680-F686 HydrophobicContact CD1-CE2 3.89Å; L680-F686 HydrophobicContact CD1-CZ 4.38Å; L680-F686 HydrophobicContact CD2-CB 4.14Å; L680-F686 HydrophobicContact CD2-CD2 3.9Å; L680-F686 HydrophobicContact CD2-CG 4Å; L680-F686 HydrophobicContact CG-CD2 4.27Å; L680-F686 HydrophobicContact CG-CG 4.4Å; F683-F686 HydrophobicContact CB-CB 4.27Å; F683-F686 WeakPolarHBondContact O-CB 3.33Å; F683-F686 PolarHBondContact O-N 3.21Å; F683-F686 VanDerWaalsContact O-N 3.11Å; D684-F686 VanDerWaalsContact C-N 3.25Å; D684-F686 PolarHBondContact O-N 3.41Å; F686-K688 PolarHBondContact O-N 2.95Å; F686-A689 PolarHBondContact O-N 2.94Å; F686-A689 VanDerWaalsContact O-N 3.11Å; F686-F690 AromaticContact CD2-CD2 3.68Å; F686-F690 HydrophobicContact CD2-CD2 3.68Å; F686-F690 AromaticContact CD2-CE2 3.95Å; F686-F690 HydrophobicContact CD2-CE2 3.95Å; F686-F690 AromaticContact CE2-CD2 3.43Å; F686-F690 HydrophobicContact CE2-CD2 3.43Å; F686-F690 VanDerWaalsContact CE2-CD2 3.43Å; F686-F690 AromaticContact CE2-CE2 3.75Å; F686-F690 HydrophobicContact CE2-CE2 3.75Å; F686-F690 HydrophobicContact CE2-CG 4.23Å; F686-F690 HydrophobicContact CZ-CD2 4.15Å; F686-F690 PolarHBondContact O-N 3.4Å; F686-F690 VanDerWaalsContact O-N 3.09Å; F686-M698 HydrophobicContact CE1-CB 3.81Å; F686-M698 HydrophobicContact CE1-CE 4.05Å; F686-M698 HydrophobicContact CZ-CB 4.34Å; F686-M698 HydrophobicContact CZ-CE 4.13Å
687	A	98.1	Very high	97.3	Very high	7 Å²	7	43.2 Å²	43.2	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-59.3	-37.3	179.9	0	0	0	0	0	111.6	F683 D684 N691 C692 N699	F683-A687 PolarHBondContact O-N 2.8Å; D684-A687 PolarHBondContact O-N 3.07Å; A687-N691 CarbonylContact O-C 3.41Å; A687-N691 WeakPolarHBondContact O-CA 3.26Å; A687-N691 PolarHBondContact O-N 2.93Å; A687-C692 HydrophobicContact CB-CB 4.25Å; A687-C692 PolarHBondContact O-N 3.27Å; A687-N699 HydrophobicContact CB-CB 3.98Å
688	K	98	Very high	97.3	Very high	136 Å²	136	43 Å²	43	59%	0.591	25%	0.245	S	C	*	.	H	α-helix	trans	-67.6	-44.8	173.8	-178.6	-178.5	169.9	-165.5	0	112.7	D684 E685 F686 F690 N691	D684-K688 WeakPolarHBondContact O-CB 3.31Å; D684-K688 PolarHBondContact O-N 2.72Å; E685-K688 IonicContact OE1-NZ 2.7Å; E685-K688 IonicContact OE2-NZ 3.74Å; F686-K688 PolarHBondContact O-N 2.95Å; K688-F690 VanDerWaalsContact C-N 3.26Å; K688-F690 PolarHBondContact O-N 3.28Å; K688-N691 PolarHBondContact O-N 2.95Å
689	A	97.6	Very high	97.3	Very high	17 Å²	17	43.9 Å²	43.9	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-32	-179.5	0	0	0	0	0	112.8	Q641 F644 E685 F686	Q641-A689 HydrophobicContact CG-CB 4.16Å; Q641-A689 VanDerWaalsContact CG-O 3.3Å; Q641-A689 WeakPolarHBondContact CG-O 3.36Å; Q641-A689 PolarHBondContact NE2-O 3.42Å; F644-A689 HydrophobicContact CD2-CB 3.89Å; F644-A689 HydrophobicContact CE2-CB 3.77Å; E685-A689 VanDerWaalsContact O-CB 3.27Å; E685-A689 WeakPolarHBondContact O-CB 3.42Å; E685-A689 PolarHBondContact O-N 3.06Å; F686-A689 PolarHBondContact O-N 2.94Å; F686-A689 VanDerWaalsContact O-N 3.11Å
690	F	96.8	Very high	97.3	Very high	16 Å²	16	45.3 Å²	45.3	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-104	3.9	178.4	-71.9	-84.2	0	0	0	114.5	P7 F11 Y19 Q641 F644 L645 F686 K688 C692	P7-F690 HydrophobicContact CB-CB 4.42Å; P7-F690 HydrophobicContact CB-CD1 3.7Å; P7-F690 HydrophobicContact CB-CE1 4.25Å; P7-F690 HydrophobicContact CB-CG 4.16Å; P7-F690 HydrophobicContact CG-CB 4.27Å; P7-F690 HydrophobicContact CG-CD1 3.67Å; P7-F690 HydrophobicContact CG-CE1 4.46Å; P7-F690 HydrophobicContact CG-CG 4.28Å; F11-F690 HydrophobicContact CE2-CD1 4.3Å; F11-F690 HydrophobicContact CE2-CD2 4.16Å; F11-F690 AromaticContact CE2-CE1 3.83Å; F11-F690 HydrophobicContact CE2-CE1 3.83Å; F11-F690 AromaticContact CE2-CE2 3.68Å; F11-F690 HydrophobicContact CE2-CE2 3.68Å; F11-F690 HydrophobicContact CE2-CG 4.44Å; F11-F690 AromaticContact CE2-CZ 3.49Å; F11-F690 HydrophobicContact CE2-CZ 3.49Å; F11-F690 VanDerWaalsContact CE2-CZ 3.49Å; F11-F690 HydrophobicContact CZ-CE1 4.42Å; F11-F690 AromaticContact CZ-CE2 3.84Å; F11-F690 HydrophobicContact CZ-CE2 3.84Å; F11-F690 AromaticContact CZ-CZ 3.68Å; F11-F690 HydrophobicContact CZ-CZ 3.68Å; Y19-F690 HydrophobicContact CE1-CD1 4.48Å; Y19-F690 AromaticContact CE1-CE1 3.76Å; Y19-F690 HydrophobicContact CE1-CE1 3.76Å; Y19-F690 HydrophobicContact CE1-CZ 4.36Å; Q641-F690 HydrophobicContact CB-CE1 4.18Å; Q641-F690 HydrophobicContact CB-CE2 4.24Å; Q641-F690 HydrophobicContact CB-CZ 3.74Å; Q641-F690 HydrophobicContact CG-CD1 4.34Å; Q641-F690 HydrophobicContact CG-CD2 4.43Å; Q641-F690 HydrophobicContact CG-CE1 3.95Å; Q641-F690 HydrophobicContact CG-CE2 4.05Å; Q641-F690 HydrophobicContact CG-CZ 3.79Å; F644-F690 HydrophobicContact CB-CE2 3.85Å; F644-F690 HydrophobicContact CD2-CE2 4.17Å; F644-F690 HydrophobicContact CG-CE2 4.38Å; L645-F690 HydrophobicContact CG-CZ 4.34Å; F686-F690 AromaticContact CD2-CD2 3.68Å; F686-F690 HydrophobicContact CD2-CD2 3.68Å; F686-F690 AromaticContact CD2-CE2 3.95Å; F686-F690 HydrophobicContact CD2-CE2 3.95Å; F686-F690 AromaticContact CE2-CD2 3.43Å; F686-F690 HydrophobicContact CE2-CD2 3.43Å; F686-F690 VanDerWaalsContact CE2-CD2 3.43Å; F686-F690 AromaticContact CE2-CE2 3.75Å; F686-F690 HydrophobicContact CE2-CE2 3.75Å; F686-F690 HydrophobicContact CE2-CG 4.23Å; F686-F690 HydrophobicContact CZ-CD2 4.15Å; F686-F690 PolarHBondContact O-N 3.4Å; F686-F690 VanDerWaalsContact O-N 3.09Å; K688-F690 VanDerWaalsContact C-N 3.26Å; K688-F690 PolarHBondContact O-N 3.28Å; F690-C692 VanDerWaalsContact C-N 3.29Å; F690-C692 PolarHBondContact O-N 2.82Å
691	N	97.4	Very high	97.2	Very high	140 Å²	140	52.9 Å²	52.9	75%	0.749	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	41.5	-176.7	-57.9	-60.1	0	0	0	113.6	A687 K688	A687-N691 CarbonylContact O-C 3.41Å; A687-N691 WeakPolarHBondContact O-CA 3.26Å; A687-N691 PolarHBondContact O-N 2.93Å; K688-N691 PolarHBondContact O-N 2.95Å
692	C	97.4	Very high	97.1	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.061	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73	124.1	-179.5	-62.7	0	0	0	0	111.8	C8 A687 F690 N699	C8-C692 WeakPolarHBondContact CA-SG 3.46Å; C8-C692 HydrophobicContact CB-CB 3.63Å; C8-C692 WeakPolarHBondContact CB-SG 3.4Å; C8-C692 WeakPolarHBondContact SG-CA 3.36Å; C8-C692 WeakPolarHBondContact SG-CB 3.33Å; C8-C692 CovalentContact SG-SG 2.04Å; C8-C692 PolarHBondContact SG-SG 2.92Å; A687-C692 HydrophobicContact CB-CB 4.25Å; A687-C692 PolarHBondContact O-N 3.27Å; F690-C692 VanDerWaalsContact C-N 3.29Å; F690-C692 PolarHBondContact O-N 2.82Å; C692-N699 HydrophobicContact CB-CB 3.89Å; C692-N699 PolarHBondContact O-ND2 3.23Å
693	P	97.6	Very high	97.1	Very high	87 Å²	87	60.8 Å²	60.8	57%	0.565	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-66	144.1	-179.6	26.6	-32	0	0	0	110.4	G695 S696	P693-G695 PolarHBondContact O-N 3.43Å; P693-S696 VanDerWaalsContact O-CB 3.32Å; P693-S696 WeakPolarHBondContact O-CB 3.34Å; P693-S696 PolarHBondContact O-N 3.4Å; P693-S696 PolarHBondContact O-OG 3.16Å
694	L	97.6	Very high	97.1	Very high	120 Å²	120	60.2 Å²	60.2	63%	0.628	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	131.3	174	-175.4	66.7	0	0	0	109.6	E701	L694-E701 HydrophobicContact CD1-CG 4.07Å; L694-E701 HydrophobicContact CD2-CG 4.43Å; L694-E701 HydrophobicContact CG-CG 4.04Å
695	G	96	Very high	97	Very high	53 Å²	53	58.1 Å²	58.1	55%	0.546	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-5.8	-176	0	0	0	0	0	114.8	P693 N699	P693-G695 PolarHBondContact O-N 3.43Å; G695-N699 PolarHBondContact N-O 3.34Å
696	S	95.8	Very high	96.8	Very high	23 Å²	23	55.1 Å²	55.1	16%	0.161	30%	0.303	C	S	.	.	S	Bend	trans	-63.8	158.4	165.1	58.8	0	0	0	0	111	P693 M698 N699	P693-S696 VanDerWaalsContact O-CB 3.32Å; P693-S696 WeakPolarHBondContact O-CB 3.34Å; P693-S696 PolarHBondContact O-N 3.4Å; P693-S696 PolarHBondContact O-OG 3.16Å; S696-M698 PolarHBondContact O-N 3.44Å; S696-N699 CarbonylContact O-C 3.4Å; S696-N699 PolarHBondContact O-N 3Å; S696-N699 WeakPolarHBondContact OG-CB 3.48Å; S696-N699 PolarHBondContact OG-N 2.87Å
697	V	94	Very high	96.5	Very high	86 Å²	86	55.9 Å²	55.9	52%	0.521	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-39	-178.7	175.2	0	0	0	0	111.5	T9 Q681	T9-V697 VanDerWaalsContact O-CB 3.32Å; T9-V697 WeakPolarHBondContact O-CB 3.34Å; T9-V697 WeakPolarHBondContact O-CG1 3.4Å; Q681-V697 WeakPolarHBondContact CG-O 3.46Å; Q681-V697 PolarHBondContact NE2-O 2.98Å
698	M	96.1	Very high	96.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-0.6	179.2	-60.6	-63.2	-53.5	0	0	114.1	P7 C8 F11 V677 L680 F686 S696	P7-M698 WeakPolarHBondContact O-CG 3.12Å; C8-M698 WeakPolarHBondContact O-CB 3.4Å; C8-M698 WeakPolarHBondContact O-CG 3.21Å; C8-M698 PolarHBondContact O-N 3.45Å; C8-M698 VanDerWaalsContact O-N 3.13Å; F11-M698 HydrophobicContact CB-CE 3.68Å; F11-M698 HydrophobicContact CB-SD 4.21Å; V677-M698 HydrophobicContact CB-SD 4.46Å; V677-M698 HydrophobicContact CG1-SD 3.91Å; V677-M698 HydrophobicContact CG2-SD 4.29Å; L680-M698 HydrophobicContact CB-CE 3.57Å; L680-M698 HydrophobicContact CD1-CE 4.29Å; F686-M698 HydrophobicContact CE1-CB 3.81Å; F686-M698 HydrophobicContact CE1-CE 4.05Å; F686-M698 HydrophobicContact CZ-CB 4.34Å; F686-M698 HydrophobicContact CZ-CE 4.13Å; S696-M698 PolarHBondContact O-N 3.44Å
699	N	97.8	Very high	96.4	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.091	30%	0.303	C	S	.	.	S	Bend	trans	-135.6	63.2	172.9	-169.8	20.9	0	0	0	111.7	A687 C692 G695 S696 K703	A687-N699 HydrophobicContact CB-CB 3.98Å; C692-N699 HydrophobicContact CB-CB 3.89Å; C692-N699 PolarHBondContact O-ND2 3.23Å; G695-N699 PolarHBondContact N-O 3.34Å; S696-N699 CarbonylContact O-C 3.4Å; S696-N699 PolarHBondContact O-N 3Å; S696-N699 WeakPolarHBondContact OG-CB 3.48Å; S696-N699 PolarHBondContact OG-N 2.87Å; N699-K703 WeakPolarHBondContact OD1-CE 3.35Å; N699-K703 PolarHBondContact OD1-NZ 3.39Å
700	P	97.5	Very high	96.3	Very high	31 Å²	31	56.3 Å²	56.3	20%	0.201	31%	0.312	C	S	.	.			trans	-64.8	152.4	179	29	-36.1	0	0	0	111.4	Q681 K703	Q681-P700 HydrophobicContact CB-CG 3.94Å; Q681-P700 HydrophobicContact CG-CG 4.14Å; P700-K703 WeakPolarHBondContact O-CE 3.49Å
701	E	96.8	Very high	96.3	Very high	159 Å²	159	58.6 Å²	58.6	74%	0.743	33%	0.327	S	S	*	.	S	Bend	trans	-64.7	-40.9	177.3	-65.3	-176.9	173.9	0	0	112.4	L694	L694-E701 HydrophobicContact CD1-CG 4.07Å; L694-E701 HydrophobicContact CD2-CG 4.43Å; L694-E701 HydrophobicContact CG-CG 4.04Å
702	K	96.7	Very high	96.2	Very high	147 Å²	147	53.6 Å²	53.6	64%	0.639	30%	0.3	S	S	*	.	S	Bend	trans	-90.1	116.8	175.9	-174.1	-178.8	178.6	-174.1	0	109.6
703	K	97.5	Very high	96.1	Very high	44 Å²	44	56.5 Å²	56.5	19%	0.191	32%	0.316	C	S	.	.			trans	-118.3	139.5	176.6	-62.7	176.3	-175.5	-90.7	0	110.7	Q681 D684 N699 P700	Q681-K703 PolarHBondContact O-NZ 3.4Å; D684-K703 WeakPolarHBondContact OD1-CD 3.39Å; D684-K703 WeakPolarHBondContact OD1-CE 3.5Å; D684-K703 IonicContact OD1-NZ 3.85Å; D684-K703 PolarHBondContact OD1-NZ 3.1Å; N699-K703 WeakPolarHBondContact OD1-CE 3.35Å; N699-K703 PolarHBondContact OD1-NZ 3.39Å; P700-K703 WeakPolarHBondContact O-CE 3.49Å
704	C	97.5	Very high	96	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.034	30%	0.299	C	S	.	.			trans	-93	126.7	176.3	-57.8	0	0	0	0	110.6	C577 F578 N682	C577-C704 HydrophobicContact CB-CB 3.82Å; C577-C704 WeakPolarHBondContact CB-SG 3.47Å; C577-C704 PolarHBondContact O-SG 2.62Å; C577-C704 WeakPolarHBondContact SG-CA 3.48Å; C577-C704 WeakPolarHBondContact SG-CB 3.41Å; C577-C704 CovalentContact SG-SG 2.05Å; C577-C704 PolarHBondContact SG-SG 2.97Å; F578-C704 HydrophobicContact CD1-CB 4.07Å; F578-C704 HydrophobicContact CD2-CB 3.88Å; F578-C704 HydrophobicContact CE1-CB 3.86Å; F578-C704 HydrophobicContact CE2-CB 3.65Å; F578-C704 HydrophobicContact CG-CB 4.07Å; F578-C704 HydrophobicContact CZ-CB 3.64Å; F578-C704 WeakPolarHBondContact CZ-O 3.35Å; N682-C704 WeakPolarHBondContact CB-O 3.25Å; N682-C704 PolarHBondContact OD1-N 3.07Å
705	V	94.8	Very high	95.9	Very high	55 Å²	55	49.3 Å²	49.3	33%	0.333	27%	0.273	S	S	.	.			trans	-138.3	124.8	179.3	-179.6	0	0	0	0	110.6	K574 K613	K574-V705 WeakPolarHBondContact CD-O 3.33Å; K574-V705 PolarHBondContact NZ-O 3.38Å; K613-V705 VanDerWaalsContact NZ-CG2 3.34Å
706	V	93.6	Very high	95.9	Very high	5 Å²	5	49 Å²	49	3%	0.03	25%	0.25	C	S	.	.			trans	-112	-70.3	169.7	176.9	0	0	0	0	110.4	W390 F571 K574 F578	W390-V706 HydrophobicContact CZ2-CG1 4.06Å; W390-V706 PolarHBondContact NE1-O 3.3Å; F571-V706 HydrophobicContact CD2-CG1 3.77Å; F571-V706 HydrophobicContact CE2-CG1 3.68Å; K574-V706 HydrophobicContact CB-CG2 3.59Å; F578-V706 HydrophobicContact CD2-CG2 4.02Å; F578-V706 HydrophobicContact CE2-CB 4.41Å; F578-V706 HydrophobicContact CE2-CG2 3.68Å
707	W	92.4	Very high	95.9	Very high	16 Å²	16	51.4 Å²	51.4	6%	0.061	26%	0.259	C	S	.	.			trans	-96.3	0	-174.8	-59.4	111.6	0	0	0	113.6	F381 L385 W390 M391 T524 F527 W563 F571	F381-W707 HydrophobicContact CE2-CE3 4.43Å; F381-W707 HydrophobicContact CZ-CE3 4.04Å; F381-W707 HydrophobicContact CZ-CZ3 4.35Å; L385-W707 HydrophobicContact CD1-CZ3 4.2Å; W390-W707 HydrophobicContact CH2-CH2 4.19Å; W390-W707 HydrophobicContact CZ2-CH2 4.21Å; W390-W707 HydrophobicContact CZ2-CZ3 4.28Å; M391-W707 HydrophobicContact CE-CH2 3.47Å; M391-W707 VanDerWaalsContact CE-CH2 3.47Å; M391-W707 HydrophobicContact CE-CZ3 3.52Å; T524-W707 VanDerWaalsContact CG2-CD1 3.46Å; T524-W707 HydrophobicContact CG2-CG 4.18Å; F527-W707 HydrophobicContact CB-CD2 4.08Å; F527-W707 VanDerWaalsContact CB-CE2 3.48Å; F527-W707 HydrophobicContact CB-CE3 4.45Å; F527-W707 HydrophobicContact CB-CH2 3.82Å; F527-W707 HydrophobicContact CB-CZ2 3.42Å; F527-W707 VanDerWaalsContact CB-CZ2 3.42Å; F527-W707 HydrophobicContact CB-CZ3 4.31Å; F527-W707 HydrophobicContact CD1-CH2 4.37Å; F527-W707 HydrophobicContact CG-CH2 4.48Å; F527-W707 HydrophobicContact CG-CZ2 4.49Å; F527-W707 WeakPolarHBondContact O-CZ2 3.14Å; F527-W707 PolarHBondContact O-NE1 2.89Å; W563-W707 AromaticContact CH2-CH2 3.7Å; W563-W707 HydrophobicContact CH2-CH2 3.7Å; W563-W707 AromaticContact CH2-CZ2 3.86Å; W563-W707 HydrophobicContact CH2-CZ2 3.86Å; W563-W707 AromaticContact CZ2-CH2 3.96Å; W563-W707 HydrophobicContact CZ2-CH2 3.96Å; W563-W707 HydrophobicContact CZ2-CZ2 4.15Å; F571-W707 HydrophobicContact CD2-CZ2 4.19Å; F571-W707 AromaticContact CE2-CZ2 3.82Å; F571-W707 HydrophobicContact CE2-CZ2 3.82Å

Retrieved 707 of 707 residues in 531.2 ms (Link to these results)

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