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Sensor protein VraS

Member of the two-component regulatory system PprA/PprB involved in biofilm formation by controlling the expression of many related genes including type IVb pili major subunit flp pilin, adhesin bapA or cupE fimbriae. Also modulates quorum-sensing signal production acting on both negative and positive modulators. Functions as a heme sensor histidine kinase which is autophosphorylated at a histidine residue and transfers its phosphate group to PprB.

AlphaFold DB (Q2FX08), UniProt , Accession Q99SZ7, Species STAAN (Staphylococcus aureus (strain N315)), Gene vraS, Length 347 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.5	Very low	68.3	Low	215 Å²	215	108.2 Å²	108.2	100%	1.059	54%	0.538	S	S	*	.				0	110.3	0	-169.5	155	69.1	0	0	106.9	H3 I5	M1-H3 PolarHBondContact O-N 3.28Å; M1-I5 HydrophobicContact CG-CD1 4.37Å
2	N	52.5	Low	69.5	Low	113 Å²	113	106.2 Å²	106.2	60%	0.604	53%	0.53	S	S	*	.			trans	-47.6	133.8	-161.2	-80.9	-16.4	0	0	0	113.2	Y4 I5 R6	N2-Y4 CarbonylContact O-C 3.57Å; N2-Y4 PolarHBondContact O-N 3.47Å; N2-I5 HydrophobicContact CB-CD1 4.2Å; N2-I5 HydrophobicContact CB-CG1 4.23Å; N2-I5 WeakPolarHBondContact O-CA 3.15Å; N2-I5 WeakPolarHBondContact O-CB 3.19Å; N2-I5 PolarHBondContact O-N 3.27Å; N2-R6 PolarHBondContact O-N 2.63Å
3	H	54.7	Low	70.5	Confident	112 Å²	112	107.4 Å²	107.4	52%	0.519	54%	0.537	S	S	.	.	H	α-helix	trans	-44	-38.5	172.8	174.1	-92.4	0	0	0	112.1	M1 I5 R6 T7	M1-H3 PolarHBondContact O-N 3.28Å; H3-I5 PolarHBondContact O-N 3.39Å; H3-R6 PolarHBondContact O-N 3.42Å; H3-T7 PolarHBondContact O-N 3.28Å; H3-T7 PolarHBondContact O-OG1 2.84Å
4	Y	65.3	Low	71.2	Confident	170 Å²	170	106.1 Å²	106.1	67%	0.667	53%	0.532	S	S	*	.	H	α-helix	trans	-53.7	-45.6	172	-71.2	-78.4	0	0	0	113.2	N2 R6 T7 I8	N2-Y4 CarbonylContact O-C 3.57Å; N2-Y4 PolarHBondContact O-N 3.47Å; Y4-R6 PolarHBondContact O-N 2.82Å; Y4-T7 WeakPolarHBondContact CA-OG1 3.06Å; Y4-T7 PolarHBondContact O-OG1 3.33Å; Y4-I8 WeakPolarHBondContact O-CB 3.24Å; Y4-I8 VanDerWaalsContact O-CD1 3.23Å; Y4-I8 WeakPolarHBondContact O-CD1 3.11Å; Y4-I8 WeakPolarHBondContact O-CG1 3.24Å; Y4-I8 PolarHBondContact O-N 3.41Å
5	I	72.2	Confident	71.7	Confident	98 Å²	98	104.2 Å²	104.2	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-66.6	-39.3	179.6	-60.2	169.7	0	0	0	110.8	M1 N2 H3 G9	M1-I5 HydrophobicContact CG-CD1 4.37Å; N2-I5 HydrophobicContact CB-CD1 4.2Å; N2-I5 HydrophobicContact CB-CG1 4.23Å; N2-I5 WeakPolarHBondContact O-CA 3.15Å; N2-I5 WeakPolarHBondContact O-CB 3.19Å; N2-I5 PolarHBondContact O-N 3.27Å; H3-I5 PolarHBondContact O-N 3.39Å; I5-G9 WeakPolarHBondContact O-CA 3.1Å; I5-G9 PolarHBondContact O-N 2.78Å
6	R	71.2	Confident	72.2	Confident	131 Å²	131	107.3 Å²	107.3	49%	0.494	53%	0.533	S	S	.	.	H	α-helix	trans	-72.9	-41.7	178.8	-165.2	178.3	70.3	-152.1	-5.1	112	N2 H3 Y4 G9 S10 E103	N2-R6 PolarHBondContact O-N 2.63Å; H3-R6 PolarHBondContact O-N 3.42Å; Y4-R6 PolarHBondContact O-N 2.82Å; R6-G9 PolarHBondContact O-N 2.81Å; R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 3.37Å; R6-S10 PolarHBondContact O-OG 3.3Å; R6-E103 IonicContact CZ-OE1 2.66Å; R6-E103 IonicContact NH1-OE1 2.8Å; R6-E103 PolarHBondContact NH1-OE1 3.34Å; R6-E103 IonicContact NH1-OE2 3.01Å; R6-E103 IonicContact NH2-OE1 3.94Å; R6-E103 PolarHBondContact NH2-OE1 2.76Å; R6-E103 IonicContact NH2-OE2 3.32Å
7	T	74.2	Confident	72.5	Confident	47 Å²	47	104.8 Å²	104.8	29%	0.288	53%	0.528	S	S	.	.	H	α-helix	trans	-66.5	-45.1	174.9	33.8	0	0	0	0	111	H3 Y4 G9 S10 M11	H3-T7 PolarHBondContact O-N 3.28Å; H3-T7 PolarHBondContact O-OG1 2.84Å; Y4-T7 WeakPolarHBondContact CA-OG1 3.06Å; Y4-T7 PolarHBondContact O-OG1 3.33Å; T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 2.65Å; T7-S10 WeakPolarHBondContact CA-OG 3.5Å; T7-S10 PolarHBondContact O-N 3.07Å; T7-S10 PolarHBondContact O-OG 2.74Å; T7-M11 VanDerWaalsContact O-CB 3.31Å; T7-M11 WeakPolarHBondContact O-CB 3.32Å; T7-M11 VanDerWaalsContact O-CG 3.24Å; T7-M11 WeakPolarHBondContact O-CG 3.32Å; T7-M11 PolarHBondContact O-N 3.35Å
8	I	77.7	Confident	72.9	Confident	96 Å²	96	104.4 Å²	104.4	49%	0.492	53%	0.526	S	S	.	.	H	α-helix	trans	-57.8	-43.9	171.1	-69.1	163.9	0	0	0	110.2	Y4 M11 L12	Y4-I8 WeakPolarHBondContact O-CB 3.24Å; Y4-I8 VanDerWaalsContact O-CD1 3.23Å; Y4-I8 WeakPolarHBondContact O-CD1 3.11Å; Y4-I8 WeakPolarHBondContact O-CG1 3.24Å; Y4-I8 PolarHBondContact O-N 3.41Å; I8-M11 PolarHBondContact O-N 2.95Å; I8-L12 HydrophobicContact CG2-CD1 3.69Å; I8-L12 HydrophobicContact CG2-CG 4.16Å; I8-L12 VanDerWaalsContact O-CB 3.23Å; I8-L12 WeakPolarHBondContact O-CB 3.36Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.42Å
9	G	79.4	Confident	73.2	Confident	26 Å²	26	103.5 Å²	103.5	27%	0.268	52%	0.522	S	S	.	.	H	α-helix	trans	-60.5	-47.6	176.5	0	0	0	0	0	112.5	I5 R6 T7 L12 I13	I5-G9 WeakPolarHBondContact O-CA 3.1Å; I5-G9 PolarHBondContact O-N 2.78Å; R6-G9 PolarHBondContact O-N 2.81Å; T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 2.65Å; G9-L12 PolarHBondContact O-N 3.46Å; G9-I13 WeakPolarHBondContact O-CB 3.24Å; G9-I13 WeakPolarHBondContact O-CD1 3.16Å; G9-I13 WeakPolarHBondContact O-CG1 3.43Å; G9-I13 PolarHBondContact O-N 3.39Å
10	S	78.2	Confident	73.3	Confident	60 Å²	60	101.2 Å²	101.2	42%	0.42	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-38.9	177	65.2	0	0	0	0	112.6	R6 T7 I13 L14	R6-S10 WeakPolarHBondContact O-CB 3.44Å; R6-S10 PolarHBondContact O-N 3.37Å; R6-S10 PolarHBondContact O-OG 3.3Å; T7-S10 WeakPolarHBondContact CA-OG 3.5Å; T7-S10 PolarHBondContact O-N 3.07Å; T7-S10 PolarHBondContact O-OG 2.74Å; S10-I13 PolarHBondContact O-N 3.24Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.13Å
11	M	79.6	Confident	73.4	Confident	122 Å²	122	98.6 Å²	98.6	60%	0.601	51%	0.513	S	S	*	.	H	α-helix	trans	-66.9	-41.4	175.2	-74.3	-68.1	-178.9	0	0	110.6	T7 I8 L14 V15	T7-M11 VanDerWaalsContact O-CB 3.31Å; T7-M11 WeakPolarHBondContact O-CB 3.32Å; T7-M11 VanDerWaalsContact O-CG 3.24Å; T7-M11 WeakPolarHBondContact O-CG 3.32Å; T7-M11 PolarHBondContact O-N 3.35Å; I8-M11 PolarHBondContact O-N 2.95Å; M11-L14 PolarHBondContact O-N 3.34Å; M11-V15 WeakPolarHBondContact O-CB 3.46Å; M11-V15 WeakPolarHBondContact O-CG2 3.4Å; M11-V15 PolarHBondContact O-N 3.42Å
12	L	82.2	Confident	74.8	Confident	84 Å²	84	93.8 Å²	93.8	44%	0.44	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-47.3	172.9	-78.4	169.2	0	0	0	110.4	I8 G9 L14 V15 Y16	I8-L12 HydrophobicContact CG2-CD1 3.69Å; I8-L12 HydrophobicContact CG2-CG 4.16Å; I8-L12 VanDerWaalsContact O-CB 3.23Å; I8-L12 WeakPolarHBondContact O-CB 3.36Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.42Å; G9-L12 PolarHBondContact O-N 3.46Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.72Å; L12-V15 PolarHBondContact O-N 2.83Å; L12-Y16 HydrophobicContact CB-CD2 4.25Å; L12-Y16 HydrophobicContact CB-CE2 4.38Å; L12-Y16 HydrophobicContact CD2-CE2 4.13Å; L12-Y16 VanDerWaalsContact O-CB 3.27Å; L12-Y16 WeakPolarHBondContact O-CB 3.21Å; L12-Y16 WeakPolarHBondContact O-CD2 3.25Å; L12-Y16 PolarHBondContact O-N 2.79Å
13	I	82.7	Confident	75.7	Confident	122 Å²	122	92.8 Å²	92.8	63%	0.626	48%	0.481	S	S	*	.	H	α-helix	trans	-59.1	-42.5	176.5	-69.9	162.9	0	0	0	110.4	G9 S10 Y16 S17	G9-I13 WeakPolarHBondContact O-CB 3.24Å; G9-I13 WeakPolarHBondContact O-CD1 3.16Å; G9-I13 WeakPolarHBondContact O-CG1 3.43Å; G9-I13 PolarHBondContact O-N 3.39Å; S10-I13 PolarHBondContact O-N 3.24Å; I13-Y16 PolarHBondContact O-N 2.86Å; I13-S17 VanDerWaalsContact O-CB 3.24Å; I13-S17 WeakPolarHBondContact O-CB 3.36Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 3.5Å
14	L	80.1	Confident	76.5	Confident	89 Å²	89	94.4 Å²	94.4	47%	0.466	49%	0.486	S	S	.	.	H	α-helix	trans	-67.1	-45.7	179.2	-158.1	151.4	0	0	0	111.1	S10 M11 L12 S17 M18	S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 PolarHBondContact O-N 3.13Å; M11-L14 PolarHBondContact O-N 3.34Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.72Å; L14-S17 WeakPolarHBondContact CA-OG 3.24Å; L14-S17 PolarHBondContact O-N 2.77Å; L14-S17 PolarHBondContact O-OG 3.47Å; L14-M18 HydrophobicContact CD2-SD 4.26Å; L14-M18 PolarHBondContact O-N 3.36Å
15	V	78.5	Confident	76.5	Confident	78 Å²	78	89 Å²	89	47%	0.473	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-45.3	174.3	169.7	0	0	0	0	111.2	M11 L12 S17 M18 L19	M11-V15 WeakPolarHBondContact O-CB 3.46Å; M11-V15 WeakPolarHBondContact O-CG2 3.4Å; M11-V15 PolarHBondContact O-N 3.42Å; L12-V15 PolarHBondContact O-N 2.83Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 3.23Å; V15-M18 PolarHBondContact O-N 2.75Å; V15-L19 HydrophobicContact CG1-CD1 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 2.79Å
16	Y	79.8	Confident	76.2	Confident	154 Å²	154	86.8 Å²	86.8	60%	0.604	46%	0.458	S	S	*	.	H	α-helix	trans	-64.8	-37.3	175.6	-84.4	-65.2	0	0	0	111.6	L12 I13 L19 A20	L12-Y16 HydrophobicContact CB-CD2 4.25Å; L12-Y16 HydrophobicContact CB-CE2 4.38Å; L12-Y16 HydrophobicContact CD2-CE2 4.13Å; L12-Y16 VanDerWaalsContact O-CB 3.27Å; L12-Y16 WeakPolarHBondContact O-CB 3.21Å; L12-Y16 WeakPolarHBondContact O-CD2 3.25Å; L12-Y16 PolarHBondContact O-N 2.79Å; I13-Y16 PolarHBondContact O-N 2.86Å; Y16-L19 PolarHBondContact O-N 2.74Å; Y16-A20 WeakPolarHBondContact O-CB 3.15Å; Y16-A20 PolarHBondContact O-N 2.95Å
17	S	78.6	Confident	75.8	Confident	65 Å²	65	88.2 Å²	88.2	46%	0.455	47%	0.468	S	S	.	.	H	α-helix	trans	-68.2	-37.8	175.5	76.2	0	0	0	0	111.8	I13 L14 V15 A21	I13-S17 VanDerWaalsContact O-CB 3.24Å; I13-S17 WeakPolarHBondContact O-CB 3.36Å; I13-S17 PolarHBondContact O-N 3.34Å; I13-S17 PolarHBondContact O-OG 3.5Å; L14-S17 WeakPolarHBondContact CA-OG 3.24Å; L14-S17 PolarHBondContact O-N 2.77Å; L14-S17 PolarHBondContact O-OG 3.47Å; V15-S17 VanDerWaalsContact C-N 3.34Å; V15-S17 PolarHBondContact O-N 3.23Å; S17-A21 WeakPolarHBondContact O-CB 3.4Å; S17-A21 PolarHBondContact O-N 3.44Å
18	M	79.6	Confident	75.3	Confident	98 Å²	98	89.4 Å²	89.4	48%	0.483	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-43.5	171.7	-93	-179.1	83.6	0	0	111.5	L14 V15 A21 F22	L14-M18 HydrophobicContact CD2-SD 4.26Å; L14-M18 PolarHBondContact O-N 3.36Å; V15-M18 PolarHBondContact O-N 2.75Å; M18-A21 PolarHBondContact O-N 2.99Å; M18-F22 VanDerWaalsContact O-CB 3.25Å; M18-F22 WeakPolarHBondContact O-CB 3.47Å; M18-F22 PolarHBondContact O-N 3.41Å
19	L	77.7	Confident	74.1	Confident	87 Å²	87	88.3 Å²	88.3	46%	0.455	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.4	-103.6	160.4	0	0	0	111.6	V15 Y16 F22 L23	V15-L19 HydrophobicContact CG1-CD1 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 2.79Å; Y16-L19 PolarHBondContact O-N 2.74Å; L19-F22 PolarHBondContact O-N 3.05Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.08Å; L19-L23 PolarHBondContact O-N 3.28Å
20	A	76	Confident	73	Confident	56 Å²	56	91.7 Å²	91.7	46%	0.463	48%	0.481	S	S	.	.	H	α-helix	trans	-66.8	-41.1	176.8	0	0	0	0	0	111.2	Y16 L23 F24	Y16-A20 WeakPolarHBondContact O-CB 3.15Å; Y16-A20 PolarHBondContact O-N 2.95Å; A20-L23 PolarHBondContact O-N 3.22Å; A20-F24 WeakPolarHBondContact O-CB 3.27Å; A20-F24 PolarHBondContact O-N 3.18Å
21	A	75.3	Confident	71.7	Confident	48 Å²	48	95.5 Å²	95.5	40%	0.397	50%	0.497	S	S	.	.	H	α-helix	trans	-63.6	-42.8	172.8	0	0	0	0	0	111.2	S17 M18 F24 I25	S17-A21 WeakPolarHBondContact O-CB 3.4Å; S17-A21 PolarHBondContact O-N 3.44Å; M18-A21 PolarHBondContact O-N 2.99Å; A21-F24 PolarHBondContact O-N 3.29Å; A21-I25 WeakPolarHBondContact O-CB 3.34Å; A21-I25 WeakPolarHBondContact O-CD1 3.42Å; A21-I25 WeakPolarHBondContact O-CG1 3.48Å; A21-I25 PolarHBondContact O-N 2.78Å
22	F	75.4	Confident	70.4	Confident	114 Å²	114	94.6 Å²	94.6	50%	0.5	49%	0.494	S	S	.	.	H	α-helix	trans	-62.5	-46.2	175.6	-179.1	-93.6	0	0	0	111.7	M18 L19 F24 I25 D26	M18-F22 VanDerWaalsContact O-CB 3.25Å; M18-F22 WeakPolarHBondContact O-CB 3.47Å; M18-F22 PolarHBondContact O-N 3.41Å; L19-F22 PolarHBondContact O-N 3.05Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F22-I25 PolarHBondContact O-N 3.14Å; F22-D26 VanDerWaalsContact O-CB 3.24Å; F22-D26 WeakPolarHBondContact O-CB 3.26Å; F22-D26 PolarHBondContact O-N 3.45Å
23	L	71.1	Confident	69	Low	92 Å²	92	98.7 Å²	98.7	48%	0.482	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-30.7	176.5	-71.8	174.4	0	0	0	112.7	L19 A20 K27	L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 VanDerWaalsContact O-CG 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.08Å; L19-L23 PolarHBondContact O-N 3.28Å; A20-L23 PolarHBondContact O-N 3.22Å; L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 WeakPolarHBondContact O-CG 3.21Å; L23-K27 PolarHBondContact O-N 2.85Å
24	F	71.7	Confident	67.4	Low	145 Å²	145	101 Å²	101	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-70.1	-45.6	173.9	-178.8	-98.2	0	0	0	110.2	A20 A21 F22 K27 V28	A20-F24 WeakPolarHBondContact O-CB 3.27Å; A20-F24 PolarHBondContact O-N 3.18Å; A21-F24 PolarHBondContact O-N 3.29Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F24-K27 PolarHBondContact O-N 3.49Å; F24-V28 HydrophobicContact CD1-CG2 4.05Å; F24-V28 HydrophobicContact CD2-CG2 4.33Å; F24-V28 HydrophobicContact CE1-CG2 3.72Å; F24-V28 HydrophobicContact CE2-CG2 4.02Å; F24-V28 HydrophobicContact CG-CG2 4.35Å; F24-V28 HydrophobicContact CZ-CG2 3.7Å; F24-V28 VanDerWaalsContact O-CB 3.24Å; F24-V28 WeakPolarHBondContact O-CB 3.37Å; F24-V28 WeakPolarHBondContact O-CG2 3.33Å; F24-V28 PolarHBondContact O-N 3.05Å
25	I	65.4	Low	66	Low	57 Å²	57	100.4 Å²	100.4	29%	0.292	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-50.1	171.2	-68.9	164.2	0	0	0	109	A21 F22 K27 V28 F29 L52	A21-I25 WeakPolarHBondContact O-CB 3.34Å; A21-I25 WeakPolarHBondContact O-CD1 3.42Å; A21-I25 WeakPolarHBondContact O-CG1 3.48Å; A21-I25 PolarHBondContact O-N 2.78Å; F22-I25 PolarHBondContact O-N 3.14Å; I25-K27 PolarHBondContact O-N 2.74Å; I25-V28 PolarHBondContact O-N 2.86Å; I25-F29 HydrophobicContact CG2-CD2 3.77Å; I25-F29 HydrophobicContact CG2-CE2 4.07Å; I25-F29 VanDerWaalsContact O-CB 3.24Å; I25-F29 WeakPolarHBondContact O-CB 3.48Å; I25-F29 WeakPolarHBondContact O-CD2 3.34Å; I25-F29 PolarHBondContact O-N 3.31Å; I25-L52 HydrophobicContact CD1-CD2 4.21Å
26	D	66.5	Low	64.7	Low	52 Å²	52	103.7 Å²	103.7	28%	0.278	52%	0.52	S	S	.	.	H	α-helix	trans	-56.2	-49.2	176.7	-173.5	65.5	0	0	0	111.1	F22 F29 V30	F22-D26 VanDerWaalsContact O-CB 3.24Å; F22-D26 WeakPolarHBondContact O-CB 3.26Å; F22-D26 PolarHBondContact O-N 3.45Å; D26-F29 CarbonylContact O-C 3.54Å; D26-F29 PolarHBondContact O-N 3.39Å; D26-V30 WeakPolarHBondContact O-CA 3.44Å; D26-V30 WeakPolarHBondContact O-CB 3.02Å; D26-V30 WeakPolarHBondContact O-CG2 3.4Å; D26-V30 PolarHBondContact O-N 3.36Å; D26-V30 WeakPolarHBondContact OD1-CG2 3.2Å
27	K	63.2	Low	63.5	Low	161 Å²	161	97.6 Å²	97.6	70%	0.7	50%	0.504	S	S	*	.	H	α-helix	trans	-68.1	-39.5	178.6	-82.8	-159.6	175	-173.7	0	114.3	L23 F24 I25 F29 N31	L23-K27 WeakPolarHBondContact O-CB 3.49Å; L23-K27 WeakPolarHBondContact O-CG 3.21Å; L23-K27 PolarHBondContact O-N 2.85Å; F24-K27 PolarHBondContact O-N 3.49Å; I25-K27 PolarHBondContact O-N 2.74Å; K27-F29 PolarHBondContact O-N 2.8Å; K27-N31 PolarHBondContact O-N 3.32Å
28	V	63.4	Low	62.3	Low	72 Å²	72	95.5 Å²	95.5	44%	0.436	49%	0.487	S	S	.	.	H	α-helix	trans	-63.2	-37.7	175.8	168.2	0	0	0	0	109.7	F24 I25	F24-V28 HydrophobicContact CD1-CG2 4.05Å; F24-V28 HydrophobicContact CD2-CG2 4.33Å; F24-V28 HydrophobicContact CE1-CG2 3.72Å; F24-V28 HydrophobicContact CE2-CG2 4.02Å; F24-V28 HydrophobicContact CG-CG2 4.35Å; F24-V28 HydrophobicContact CZ-CG2 3.7Å; F24-V28 VanDerWaalsContact O-CB 3.24Å; F24-V28 WeakPolarHBondContact O-CB 3.37Å; F24-V28 WeakPolarHBondContact O-CG2 3.33Å; F24-V28 PolarHBondContact O-N 3.05Å; I25-V28 PolarHBondContact O-N 2.86Å
29	F	52.8	Low	61.2	Low	73 Å²	73	96.9 Å²	96.9	32%	0.32	49%	0.491	S	S	.	.	H	α-helix	trans	-90.1	-26.9	-178.1	-81.2	-96.1	0	0	0	114.5	I25 D26 K27 N31 I32 F35 M38	I25-F29 HydrophobicContact CG2-CD2 3.77Å; I25-F29 HydrophobicContact CG2-CE2 4.07Å; I25-F29 VanDerWaalsContact O-CB 3.24Å; I25-F29 WeakPolarHBondContact O-CB 3.48Å; I25-F29 WeakPolarHBondContact O-CD2 3.34Å; I25-F29 PolarHBondContact O-N 3.31Å; D26-F29 CarbonylContact O-C 3.54Å; D26-F29 PolarHBondContact O-N 3.39Å; K27-F29 PolarHBondContact O-N 2.8Å; F29-N31 VanDerWaalsContact C-N 3.29Å; F29-I32 PolarHBondContact O-N 2.82Å; F29-F35 HydrophobicContact CB-CB 4.33Å; F29-F35 HydrophobicContact CB-CD2 3.61Å; F29-F35 HydrophobicContact CB-CE2 4.38Å; F29-F35 HydrophobicContact CB-CG 4.39Å; F29-F35 HydrophobicContact CD1-CD2 4.35Å; F29-F35 HydrophobicContact CG-CD2 4.24Å; F29-M38 HydrophobicContact CD1-SD 4.26Å; F29-M38 HydrophobicContact CE1-CB 4.49Å; F29-M38 HydrophobicContact CE1-CG 4.46Å; F29-M38 HydrophobicContact CE1-SD 3.91Å; F29-M38 HydrophobicContact CZ-SD 4.09Å
30	V	55.9	Low	60.1	Low	96 Å²	96	101.2 Å²	101.2	58%	0.582	50%	0.502	S	S	*	.	H	α-helix	trans	-73.3	-25.7	175.5	167.2	0	0	0	0	110.4	D26 I32	D26-V30 WeakPolarHBondContact O-CA 3.44Å; D26-V30 WeakPolarHBondContact O-CB 3.02Å; D26-V30 WeakPolarHBondContact O-CG2 3.4Å; D26-V30 PolarHBondContact O-N 3.36Å; D26-V30 WeakPolarHBondContact OD1-CG2 3.2Å; V30-I32 PolarHBondContact O-N 3.31Å
31	N	50.7	Low	59.8	Low	141 Å²	141	102 Å²	102	75%	0.754	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.2	175.6	-146.6	-77.4	0	0	0	113.9	K27 F29	K27-N31 PolarHBondContact O-N 3.32Å; F29-N31 VanDerWaalsContact C-N 3.29Å
32	I	52	Low	59.5	Low	103 Å²	103	105.8 Å²	105.8	53%	0.528	51%	0.511	S	S	.	.	S	Bend	trans	-141.4	131.9	176.4	-47.1	177.2	0	0	0	108.3	F29 V30 Y34	F29-I32 PolarHBondContact O-N 2.82Å; V30-I32 PolarHBondContact O-N 3.31Å; I32-Y34 HydrophobicContact CB-CD2 4.46Å; I32-Y34 HydrophobicContact CG2-CD2 3.47Å; I32-Y34 VanDerWaalsContact CG2-CD2 3.47Å; I32-Y34 HydrophobicContact CG2-CE2 3.95Å; I32-Y34 PolarHBondContact O-N 2.8Å
33	I	52.1	Low	59.3	Low	169 Å²	169	103.7 Å²	103.7	87%	0.867	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	15	178.3	-74.1	156.2	0	0	0	116.3
34	Y	49.2	Very low	59.5	Low	172 Å²	172	109.1 Å²	109.1	68%	0.675	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.4	177.2	-72.1	-95	0	0	0	115.7	I32 Q36 G37 M38	I32-Y34 HydrophobicContact CB-CD2 4.46Å; I32-Y34 HydrophobicContact CG2-CD2 3.47Å; I32-Y34 VanDerWaalsContact CG2-CD2 3.47Å; I32-Y34 HydrophobicContact CG2-CE2 3.95Å; I32-Y34 PolarHBondContact O-N 2.8Å; Y34-Q36 VanDerWaalsContact C-N 3.28Å; Y34-Q36 PolarHBondContact O-N 2.8Å; Y34-G37 CarbonylContact O-C 3.51Å; Y34-G37 VanDerWaalsContact O-CA 3.24Å; Y34-G37 WeakPolarHBondContact O-CA 3.46Å; Y34-G37 PolarHBondContact O-N 3.3Å; Y34-M38 PolarHBondContact O-N 2.77Å; Y34-M38 VanDerWaalsContact O-N 3.13Å
35	F	52.1	Low	59.8	Low	75 Å²	75	104.5 Å²	104.5	33%	0.329	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-35.5	176	-170.8	-110.9	0	0	0	112.9	F29 G37 M38 F39	F29-F35 HydrophobicContact CB-CB 4.33Å; F29-F35 HydrophobicContact CB-CD2 3.61Å; F29-F35 HydrophobicContact CB-CE2 4.38Å; F29-F35 HydrophobicContact CB-CG 4.39Å; F29-F35 HydrophobicContact CD1-CD2 4.35Å; F29-F35 HydrophobicContact CG-CD2 4.24Å; F35-G37 VanDerWaalsContact C-N 3.27Å; F35-G37 PolarHBondContact O-N 3.26Å; F35-M38 PolarHBondContact O-N 2.75Å; F35-F39 HydrophobicContact CD1-CE2 4.4Å; F35-F39 AromaticContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CZ-CE2 4.36Å
36	Q	50.7	Low	60.3	Low	148 Å²	148	105.6 Å²	105.6	69%	0.692	52%	0.523	S	S	*	.	H	α-helix	trans	-60.4	-39.2	168.1	-92.3	-174.4	-40.7	0	0	111.5	Y34 M38 F39 Y40	Y34-Q36 VanDerWaalsContact C-N 3.28Å; Y34-Q36 PolarHBondContact O-N 2.8Å; Q36-M38 VanDerWaalsContact C-N 3.26Å; Q36-M38 PolarHBondContact O-N 3.44Å; Q36-F39 PolarHBondContact O-N 3.36Å; Q36-Y40 WeakPolarHBondContact O-CD2 3.23Å; Q36-Y40 WeakPolarHBondContact O-CE2 3.4Å
37	G	54.7	Low	60.9	Low	25 Å²	25	105 Å²	105	26%	0.258	52%	0.522	S	S	.	.	H	α-helix	trans	-59.4	-31.8	176.4	0	0	0	0	0	113.7	Y34 F35 F39 Y40 T41	Y34-G37 CarbonylContact O-C 3.51Å; Y34-G37 VanDerWaalsContact O-CA 3.24Å; Y34-G37 WeakPolarHBondContact O-CA 3.46Å; Y34-G37 PolarHBondContact O-N 3.3Å; F35-G37 VanDerWaalsContact C-N 3.27Å; F35-G37 PolarHBondContact O-N 3.26Å; G37-F39 VanDerWaalsContact C-N 3.3Å; G37-F39 PolarHBondContact O-N 2.83Å; G37-Y40 CarbonylContact O-C 3.45Å; G37-Y40 WeakPolarHBondContact O-CA 3.21Å; G37-Y40 PolarHBondContact O-N 3.36Å; G37-T41 WeakPolarHBondContact O-CG2 3.32Å; G37-T41 PolarHBondContact O-N 3.4Å; G37-T41 PolarHBondContact O-OG1 3.02Å
38	M	52.8	Low	61.5	Low	21 Å²	21	99 Å²	99	10%	0.103	50%	0.499	C	S	.	.	H	α-helix	trans	-65.4	-31.1	-179.6	-165.7	-178.2	171	0	0	113.2	F29 Y34 F35 Q36 Y40 T41 V48 F49	F29-M38 HydrophobicContact CD1-SD 4.26Å; F29-M38 HydrophobicContact CE1-CB 4.49Å; F29-M38 HydrophobicContact CE1-CG 4.46Å; F29-M38 HydrophobicContact CE1-SD 3.91Å; F29-M38 HydrophobicContact CZ-SD 4.09Å; Y34-M38 PolarHBondContact O-N 2.77Å; Y34-M38 VanDerWaalsContact O-N 3.13Å; F35-M38 PolarHBondContact O-N 2.75Å; Q36-M38 VanDerWaalsContact C-N 3.26Å; Q36-M38 PolarHBondContact O-N 3.44Å; M38-Y40 VanDerWaalsContact C-N 3.27Å; M38-Y40 PolarHBondContact O-N 3.16Å; M38-T41 WeakPolarHBondContact CA-OG1 3.42Å; M38-T41 PolarHBondContact O-OG1 3.48Å; M38-T41 VanDerWaalsContact O-OG1 3.07Å; M38-V48 HydrophobicContact CE-CB 4.3Å; M38-V48 HydrophobicContact CE-CG1 3.81Å; M38-V48 HydrophobicContact CG-CB 4.34Å; M38-F49 HydrophobicContact CE-CB 4.24Å
39	F	55.6	Low	62	Low	127 Å²	127	99.9 Å²	99.9	56%	0.557	50%	0.497	S	S	*	.	H	α-helix	trans	-69.6	-24.8	171.4	-71.5	-82.7	0	0	0	112.6	F35 Q36 G37	F35-F39 HydrophobicContact CD1-CE2 4.4Å; F35-F39 AromaticContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CE1-CE2 3.98Å; F35-F39 HydrophobicContact CZ-CE2 4.36Å; Q36-F39 PolarHBondContact O-N 3.36Å; G37-F39 VanDerWaalsContact C-N 3.3Å; G37-F39 PolarHBondContact O-N 2.83Å
40	Y	56.5	Low	63.3	Low	179 Å²	179	101.1 Å²	101.1	70%	0.702	51%	0.507	S	S	*	.	H	α-helix	trans	-97.8	-23	179.7	-60.8	-71.2	0	0	0	113.5	Q36 G37 M38 Q42	Q36-Y40 WeakPolarHBondContact O-CD2 3.23Å; Q36-Y40 WeakPolarHBondContact O-CE2 3.4Å; G37-Y40 CarbonylContact O-C 3.45Å; G37-Y40 WeakPolarHBondContact O-CA 3.21Å; G37-Y40 PolarHBondContact O-N 3.36Å; M38-Y40 VanDerWaalsContact C-N 3.27Å; M38-Y40 PolarHBondContact O-N 3.16Å; Y40-Q42 PolarHBondContact O-N 3.29Å
41	T	68.5	Low	64.5	Low	71 Å²	71	100.1 Å²	100.1	44%	0.436	50%	0.495	S	S	.	.			trans	-68.9	117.6	174	50.7	0	0	0	0	108.6	G37 M38 V48	G37-T41 WeakPolarHBondContact O-CG2 3.32Å; G37-T41 PolarHBondContact O-N 3.4Å; G37-T41 PolarHBondContact O-OG1 3.02Å; M38-T41 WeakPolarHBondContact CA-OG1 3.42Å; M38-T41 PolarHBondContact O-OG1 3.48Å; M38-T41 VanDerWaalsContact O-OG1 3.07Å; T41-V48 WeakPolarHBondContact O-CG2 3.43Å; T41-V48 PolarHBondContact O-N 2.92Å; T41-V48 WeakPolarHBondContact OG1-CG2 3.35Å
42	Q	70.1	Confident	65.9	Low	129 Å²	129	96.7 Å²	96.7	60%	0.603	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.4	178	-69.1	178	-1.2	0	0	109.1	Y40 I46	Y40-Q42 PolarHBondContact O-N 3.29Å; Q42-I46 WeakPolarHBondContact CA-O 3.47Å
43	I	71.3	Confident	67.4	Low	69 Å²	69	94.4 Å²	94.4	35%	0.354	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.5	166.8	-67.9	173.1	0	0	0	105.8	G45 I46 V48	I43-G45 PolarHBondContact O-N 3.5Å; I43-G45 VanDerWaalsContact O-N 3.16Å; I43-I46 PolarHBondContact N-O 2.88Å; I43-I46 PolarHBondContact O-N 2.96Å; I43-V48 HydrophobicContact CD1-CG2 3.76Å; I43-V48 HydrophobicContact CG1-CG2 3.87Å
44	F	75.3	Confident	69	Low	206 Å²	206	91.8 Å²	91.8	90%	0.904	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	36.5	-173.2	-61.1	-76.8	0	0	0	113.9	I46	F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.27Å
45	G	76.7	Confident	70.8	Confident	49 Å²	49	87.3 Å²	87.3	51%	0.505	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-4.6	-179.9	0	0	0	0	0	115.6	I43	I43-G45 PolarHBondContact O-N 3.5Å; I43-G45 VanDerWaalsContact O-N 3.16Å
46	I	76.9	Confident	72.5	Confident	79 Å²	79	86.7 Å²	86.7	41%	0.405	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.8	-180	-56.2	175.1	0	0	0	109.4	Q42 I43 F44 V48 L50	Q42-I46 WeakPolarHBondContact CA-O 3.47Å; I43-I46 PolarHBondContact N-O 2.88Å; I43-I46 PolarHBondContact O-N 2.96Å; F44-I46 VanDerWaalsContact C-N 3.32Å; F44-I46 PolarHBondContact O-N 3.27Å; I46-V48 PolarHBondContact O-N 3.3Å; I46-L50 HydrophobicContact CG2-CB 3.82Å
47	P	78.4	Confident	74.3	Confident	40 Å²	40	84.4 Å²	84.4	26%	0.26	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	131.5	172	-25.8	32.8	0	0	0	111.5	F49 L50 F51	P47-F49 PolarHBondContact O-N 3.25Å; P47-L50 HydrophobicContact CG-CD1 4.31Å; P47-L50 PolarHBondContact O-N 3.29Å; P47-F51 PolarHBondContact O-N 3.44Å
48	V	76.4	Confident	76.1	Confident	35 Å²	35	88 Å²	88	21%	0.212	44%	0.442	C	S	.	.	H	α-helix	trans	-50.9	-38.3	-174.2	174	0	0	0	0	112.8	M38 T41 I43 I46 L50 F51 L52	M38-V48 HydrophobicContact CE-CB 4.3Å; M38-V48 HydrophobicContact CE-CG1 3.81Å; M38-V48 HydrophobicContact CG-CB 4.34Å; T41-V48 WeakPolarHBondContact O-CG2 3.43Å; T41-V48 PolarHBondContact O-N 2.92Å; T41-V48 WeakPolarHBondContact OG1-CG2 3.35Å; I43-V48 HydrophobicContact CD1-CG2 3.76Å; I43-V48 HydrophobicContact CG1-CG2 3.87Å; I46-V48 PolarHBondContact O-N 3.3Å; V48-L50 PolarHBondContact O-N 3.46Å; V48-F51 PolarHBondContact O-N 3.45Å; V48-L52 PolarHBondContact O-N 3.31Å
49	F	73.7	Confident	77.9	Confident	91 Å²	91	92.2 Å²	92.2	40%	0.399	47%	0.465	S	S	.	.	H	α-helix	trans	-60	-42.7	177.9	176	-98.6	0	0	0	113.1	M38 P47 L52 N53	M38-F49 HydrophobicContact CE-CB 4.24Å; P47-F49 PolarHBondContact O-N 3.25Å; F49-L52 PolarHBondContact O-N 3.37Å; F49-N53 VanDerWaalsContact CE1-ND2 3.27Å; F49-N53 WeakPolarHBondContact CE1-ND2 3.3Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.48Å; F49-N53 WeakPolarHBondContact CZ-ND2 3.41Å; F49-N53 PolarHBondContact O-N 3.07Å; F49-N53 VanDerWaalsContact O-N 3.14Å; F49-N53 PolarHBondContact O-ND2 3.44Å
50	L	79.7	Confident	79.6	Confident	99 Å²	99	89.4 Å²	89.4	52%	0.518	46%	0.46	S	S	.	.	H	α-helix	trans	-67.1	-39.2	178	-71.3	178.4	0	0	0	111.4	I46 P47 V48 N53 L54	I46-L50 HydrophobicContact CG2-CB 3.82Å; P47-L50 HydrophobicContact CG-CD1 4.31Å; P47-L50 PolarHBondContact O-N 3.29Å; V48-L50 PolarHBondContact O-N 3.46Å; L50-N53 PolarHBondContact O-N 2.97Å; L50-L54 PolarHBondContact O-N 3.04Å
51	F	80.3	Confident	81.2	Confident	75 Å²	75	85.6 Å²	85.6	33%	0.329	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-43.3	176.7	-174.8	-102.5	0	0	0	112.1	P47 V48 L54 I55	P47-F51 PolarHBondContact O-N 3.44Å; V48-F51 PolarHBondContact O-N 3.45Å; F51-L54 WeakPolarHBondContact O-CB 3.47Å; F51-L54 PolarHBondContact O-N 2.99Å; F51-I55 HydrophobicContact CD1-CD1 3.78Å; F51-I55 HydrophobicContact CE1-CD1 3.37Å; F51-I55 HydrophobicContact CE1-CG1 4.32Å; F51-I55 HydrophobicContact CZ-CD1 3.91Å; F51-I55 WeakPolarHBondContact O-CG1 3.26Å; F51-I55 PolarHBondContact O-N 3.01Å
52	L	81.2	Confident	82.3	Confident	69 Å²	69	86.7 Å²	86.7	36%	0.361	45%	0.453	S	S	.	.	H	α-helix	trans	-61	-45.8	175.6	-171.5	82.5	0	0	0	111.9	I25 V48 F49 L54 I55 I56	I25-L52 HydrophobicContact CD1-CD2 4.21Å; V48-L52 PolarHBondContact O-N 3.31Å; F49-L52 PolarHBondContact O-N 3.37Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 2.91Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-I56 HydrophobicContact CG-CD1 4.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.16Å; L52-I56 PolarHBondContact O-N 2.93Å
53	N	83.9	Confident	83.2	Confident	55 Å²	55	84.2 Å²	84.2	29%	0.294	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-40.5	177.1	-79.8	-82.3	0	0	0	111.7	F49 L50 I55 I56 I57	F49-N53 VanDerWaalsContact CE1-ND2 3.27Å; F49-N53 WeakPolarHBondContact CE1-ND2 3.3Å; F49-N53 WeakPolarHBondContact CE2-ND2 3.48Å; F49-N53 WeakPolarHBondContact CZ-ND2 3.41Å; F49-N53 PolarHBondContact O-N 3.07Å; F49-N53 VanDerWaalsContact O-N 3.14Å; F49-N53 PolarHBondContact O-ND2 3.44Å; L50-N53 PolarHBondContact O-N 2.97Å; N53-I55 VanDerWaalsContact C-N 3.33Å; N53-I55 PolarHBondContact O-N 3.45Å; N53-I56 PolarHBondContact O-N 2.9Å; N53-I57 VanDerWaalsContact O-CG1 3.26Å; N53-I57 WeakPolarHBondContact O-CG1 3.36Å; N53-I57 PolarHBondContact O-N 3.47Å
54	L	85.9	Confident	84	Confident	114 Å²	114	82.7 Å²	82.7	60%	0.597	45%	0.448	S	S	*	.	H	α-helix	trans	-60.5	-42.1	176.2	-165.7	105.6	0	0	0	111.7	L50 F51 L52 I57 L58	L50-L54 PolarHBondContact O-N 3.04Å; F51-L54 WeakPolarHBondContact O-CB 3.47Å; F51-L54 PolarHBondContact O-N 2.99Å; L52-L54 VanDerWaalsContact C-N 3.32Å; L52-L54 PolarHBondContact O-N 2.91Å; L54-I57 PolarHBondContact O-N 2.86Å; L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 PolarHBondContact O-N 3.3Å
55	I	86.7	Confident	84.8	Confident	78 Å²	78	76.2 Å²	76.2	40%	0.4	43%	0.428	S	S	.	.	H	α-helix	trans	-62.3	-45.1	175.5	-70.3	170.1	0	0	0	111.1	F51 L52 N53 L58 L59	F51-I55 HydrophobicContact CD1-CD1 3.78Å; F51-I55 HydrophobicContact CE1-CD1 3.37Å; F51-I55 HydrophobicContact CE1-CG1 4.32Å; F51-I55 HydrophobicContact CZ-CD1 3.91Å; F51-I55 WeakPolarHBondContact O-CG1 3.26Å; F51-I55 PolarHBondContact O-N 3.01Å; L52-I55 PolarHBondContact O-N 3.39Å; N53-I55 VanDerWaalsContact C-N 3.33Å; N53-I55 PolarHBondContact O-N 3.45Å; I55-L58 PolarHBondContact O-N 2.91Å; I55-L59 WeakPolarHBondContact O-CB 3Å; I55-L59 PolarHBondContact O-N 3.41Å
56	I	87.6	Confident	85.3	Confident	61 Å²	61	77.6 Å²	77.6	31%	0.313	43%	0.427	S	S	.	.	H	α-helix	trans	-62.6	-45.7	179.1	-66.5	166.8	0	0	0	110.3	L52 N53 L58 L59 C60	L52-I56 HydrophobicContact CG-CD1 4.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.16Å; L52-I56 PolarHBondContact O-N 2.93Å; N53-I56 PolarHBondContact O-N 2.9Å; I56-L58 VanDerWaalsContact C-N 3.33Å; I56-L58 PolarHBondContact O-N 3.29Å; I56-L59 PolarHBondContact O-N 3.13Å; I56-C60 WeakPolarHBondContact O-CB 3.44Å; I56-C60 PolarHBondContact O-N 3.27Å; I56-C60 PolarHBondContact O-SG 3.39Å
57	I	89	Confident	85.6	Confident	101 Å²	101	77.7 Å²	77.7	52%	0.518	43%	0.428	S	S	.	.	H	α-helix	trans	-59.6	-45.8	176.5	-68.1	165.2	0	0	0	110.4	N53 L54 L59 C60 I61	N53-I57 VanDerWaalsContact O-CG1 3.26Å; N53-I57 WeakPolarHBondContact O-CG1 3.36Å; N53-I57 PolarHBondContact O-N 3.47Å; L54-I57 PolarHBondContact O-N 2.86Å; I57-L59 PolarHBondContact O-N 3.25Å; I57-C60 PolarHBondContact O-N 3.21Å; I57-I61 HydrophobicContact CG2-CD1 3.89Å; I57-I61 VanDerWaalsContact O-CG1 3.31Å; I57-I61 WeakPolarHBondContact O-CG1 3.43Å; I57-I61 PolarHBondContact O-N 3.12Å
58	L	90.7	Very high	86	Confident	99 Å²	99	78 Å²	78	52%	0.518	43%	0.434	S	S	.	.	H	α-helix	trans	-61.1	-44.3	178	-176.3	67.1	0	0	0	111.7	L54 I55 I56 C60 I61 I62	L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 PolarHBondContact O-N 3.3Å; I55-L58 PolarHBondContact O-N 2.91Å; I56-L58 VanDerWaalsContact C-N 3.33Å; I56-L58 PolarHBondContact O-N 3.29Å; L58-C60 PolarHBondContact O-N 2.92Å; L58-I61 PolarHBondContact O-N 3.25Å; L58-I62 HydrophobicContact CD1-CD1 4.41Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.24Å; L58-I62 PolarHBondContact O-N 2.76Å
59	L	90.9	Very high	86.5	Confident	110 Å²	110	84.1 Å²	84.1	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-61.7	-44	176.9	-165	101.5	0	0	0	111.2	I55 I56 I57 I61 I62 V63	I55-L59 WeakPolarHBondContact O-CB 3Å; I55-L59 PolarHBondContact O-N 3.41Å; I56-L59 PolarHBondContact O-N 3.13Å; I57-L59 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-I61 PolarHBondContact O-N 2.85Å; L59-I62 PolarHBondContact O-N 2.9Å; L59-V63 HydrophobicContact CG-CG2 4.43Å; L59-V63 WeakPolarHBondContact O-CB 3.42Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 2.64Å
60	C	91	Very high	86.9	Confident	69 Å²	69	84.3 Å²	84.3	47%	0.466	46%	0.455	S	S	.	.	H	α-helix	trans	-60.6	-41.7	175.6	-73.3	0	0	0	0	112.2	I56 I57 L58 G64	I56-C60 WeakPolarHBondContact O-CB 3.44Å; I56-C60 PolarHBondContact O-N 3.27Å; I56-C60 PolarHBondContact O-SG 3.39Å; I57-C60 PolarHBondContact O-N 3.21Å; L58-C60 PolarHBondContact O-N 2.92Å; C60-G64 PolarHBondContact O-N 3.28Å
61	I	91.9	Very high	86.9	Confident	98 Å²	98	83.4 Å²	83.4	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-45.9	176.5	-68.2	166.6	0	0	0	110.6	I57 L58 L59 S65	I57-I61 HydrophobicContact CG2-CD1 3.89Å; I57-I61 VanDerWaalsContact O-CG1 3.31Å; I57-I61 WeakPolarHBondContact O-CG1 3.43Å; I57-I61 PolarHBondContact O-N 3.12Å; L58-I61 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.35Å; L59-I61 PolarHBondContact O-N 2.85Å; I61-S65 VanDerWaalsContact O-CB 3.29Å; I61-S65 WeakPolarHBondContact O-CB 3.39Å; I61-S65 PolarHBondContact O-N 2.66Å; I61-S65 PolarHBondContact O-OG 3.3Å
62	I	90.8	Very high	87.1	Confident	94 Å²	94	84.5 Å²	84.5	48%	0.482	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-52.4	179.6	-68.2	166.9	0	0	0	110.6	L58 L59 G64 S65 V66	L58-I62 HydrophobicContact CD1-CD1 4.41Å; L58-I62 HydrophobicContact CG-CD1 4.03Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.24Å; L58-I62 PolarHBondContact O-N 2.76Å; L59-I62 PolarHBondContact O-N 2.9Å; I62-G64 VanDerWaalsContact C-N 3.34Å; I62-G64 PolarHBondContact O-N 2.99Å; I62-S65 WeakPolarHBondContact O-CB 3.44Å; I62-S65 PolarHBondContact O-N 3.21Å; I62-V66 WeakPolarHBondContact O-CG2 3.23Å; I62-V66 PolarHBondContact O-N 3.04Å
63	V	88.4	Confident	87.1	Confident	77 Å²	77	86.7 Å²	86.7	47%	0.467	47%	0.467	S	S	.	.	H	α-helix	trans	-61.9	-43.3	-179.5	173	0	0	0	0	110.9	L59 S65 V66 L67	L59-V63 HydrophobicContact CG-CG2 4.43Å; L59-V63 WeakPolarHBondContact O-CB 3.42Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 2.64Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 3.37Å; V63-V66 PolarHBondContact O-N 2.8Å; V63-L67 HydrophobicContact CG1-CD1 3.97Å; V63-L67 WeakPolarHBondContact O-CG 3.1Å; V63-L67 PolarHBondContact O-N 2.82Å
64	G	89.6	Confident	86.9	Confident	37 Å²	37	85.1 Å²	85.1	38%	0.381	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-40.8	175.9	0	0	0	0	0	112.5	C60 I62 L67 A68	C60-G64 PolarHBondContact O-N 3.28Å; I62-G64 VanDerWaalsContact C-N 3.34Å; I62-G64 PolarHBondContact O-N 2.99Å; G64-L67 PolarHBondContact O-N 2.85Å; G64-A68 VanDerWaalsContact O-CB 3.26Å; G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 3.22Å
65	S	90	Very high	86.7	Confident	70 Å²	70	83.6 Å²	83.6	49%	0.49	45%	0.451	S	S	.	.	H	α-helix	trans	-66	-42.9	178.2	-58.7	0	0	0	0	112.2	I61 I62 V63 A68 Y69	I61-S65 VanDerWaalsContact O-CB 3.29Å; I61-S65 WeakPolarHBondContact O-CB 3.39Å; I61-S65 PolarHBondContact O-N 2.66Å; I61-S65 PolarHBondContact O-OG 3.3Å; I62-S65 WeakPolarHBondContact O-CB 3.44Å; I62-S65 PolarHBondContact O-N 3.21Å; V63-S65 VanDerWaalsContact C-N 3.33Å; V63-S65 PolarHBondContact O-N 3.37Å; S65-A68 PolarHBondContact O-N 3.48Å; S65-Y69 WeakPolarHBondContact O-CB 3.36Å; S65-Y69 PolarHBondContact O-N 3.38Å
66	V	87.4	Confident	86.6	Confident	78 Å²	78	84.9 Å²	84.9	47%	0.473	46%	0.458	S	S	.	.	H	α-helix	trans	-65.4	-42.9	177.2	172.8	0	0	0	0	111.2	I62 V63 Y69 K70	I62-V66 WeakPolarHBondContact O-CG2 3.23Å; I62-V66 PolarHBondContact O-N 3.04Å; V63-V66 PolarHBondContact O-N 2.8Å; V66-Y69 PolarHBondContact O-N 3.42Å; V66-K70 WeakPolarHBondContact O-CG 3.29Å; V66-K70 PolarHBondContact O-N 2.72Å
67	L	85	Confident	86.2	Confident	82 Å²	82	83.8 Å²	83.8	43%	0.429	45%	0.451	S	S	.	.	H	α-helix	trans	-64.8	-44.3	175.6	-71.6	171.1	0	0	0	111.6	V63 G64 Y69 K70 I71	V63-L67 HydrophobicContact CG1-CD1 3.97Å; V63-L67 WeakPolarHBondContact O-CG 3.1Å; V63-L67 PolarHBondContact O-N 2.82Å; G64-L67 PolarHBondContact O-N 2.85Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 2.8Å; L67-K70 PolarHBondContact O-N 2.65Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3Å; L67-I71 PolarHBondContact O-N 3.45Å
68	A	86	Confident	85.9	Confident	47 Å²	47	80 Å²	80	39%	0.388	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-42.4	176.8	0	0	0	0	0	111.9	G64 S65 I71 N72	G64-A68 VanDerWaalsContact O-CB 3.26Å; G64-A68 WeakPolarHBondContact O-CB 3.31Å; G64-A68 PolarHBondContact O-N 3.22Å; S65-A68 PolarHBondContact O-N 3.48Å; A68-I71 PolarHBondContact O-N 3Å; A68-N72 WeakPolarHBondContact O-CB 3.49Å; A68-N72 PolarHBondContact O-N 3.15Å
69	Y	86	Confident	85.7	Confident	162 Å²	162	81 Å²	81	64%	0.635	43%	0.431	S	S	*	.	H	α-helix	trans	-61.2	-46.5	175.9	-178.8	-98.6	0	0	0	112.1	S65 V66 L67 I71 N72 Q73	S65-Y69 WeakPolarHBondContact O-CB 3.36Å; S65-Y69 PolarHBondContact O-N 3.38Å; V66-Y69 PolarHBondContact O-N 3.42Å; L67-Y69 VanDerWaalsContact C-N 3.34Å; L67-Y69 PolarHBondContact O-N 2.8Å; Y69-I71 PolarHBondContact O-N 3.32Å; Y69-N72 PolarHBondContact O-N 3.45Å; Y69-Q73 WeakPolarHBondContact O-CB 3.38Å; Y69-Q73 PolarHBondContact O-N 3.02Å
70	K	82.2	Confident	85.3	Confident	95 Å²	95	78.2 Å²	78.2	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-62.4	-42.4	177.2	-75.8	-172.6	174.5	-166.8	0	112.6	V66 L67 Q73 Q74	V66-K70 WeakPolarHBondContact O-CG 3.29Å; V66-K70 PolarHBondContact O-N 2.72Å; L67-K70 PolarHBondContact O-N 2.65Å; K70-Q73 PolarHBondContact O-N 3.2Å; K70-Q74 WeakPolarHBondContact O-CG 3.5Å; K70-Q74 PolarHBondContact O-N 3.47Å; K70-Q74 VanDerWaalsContact O-N 3.15Å
71	I	80.9	Confident	84.8	Confident	81 Å²	81	75.5 Å²	75.5	42%	0.415	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-44.1	177.7	-69.2	166.8	0	0	0	110.6	L67 A68 Y69 Q74 N75	L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3Å; L67-I71 PolarHBondContact O-N 3.45Å; A68-I71 PolarHBondContact O-N 3Å; Y69-I71 PolarHBondContact O-N 3.32Å; I71-Q74 PolarHBondContact O-N 3.5Å; I71-N75 PolarHBondContact O-N 3.31Å; I71-N75 PolarHBondContact O-ND2 3.14Å
72	N	84	Confident	84.4	Confident	97 Å²	97	74.2 Å²	74.2	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-63.1	-43.5	178	-77	-12.7	0	0	0	112	A68 Y69 Q74 N75 D76	A68-N72 WeakPolarHBondContact O-CB 3.49Å; A68-N72 PolarHBondContact O-N 3.15Å; Y69-N72 PolarHBondContact O-N 3.45Å; N72-Q74 VanDerWaalsContact C-N 3.27Å; N72-Q74 PolarHBondContact O-N 2.96Å; N72-N75 PolarHBondContact O-N 3.33Å; N72-D76 WeakPolarHBondContact O-CB 3.26Å; N72-D76 PolarHBondContact O-N 3.28Å
73	Q	81.6	Confident	84.2	Confident	115 Å²	115	73.7 Å²	73.7	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-59.3	-38.8	176.7	-171.8	-179.7	21	0	0	112.2	Y69 K70 W77	Y69-Q73 WeakPolarHBondContact O-CB 3.38Å; Y69-Q73 PolarHBondContact O-N 3.02Å; K70-Q73 PolarHBondContact O-N 3.2Å; Q73-W77 WeakPolarHBondContact O-CB 3.09Å; Q73-W77 PolarHBondContact O-N 3.47Å
74	Q	79.2	Confident	83.8	Confident	22 Å²	22	75 Å²	75	10%	0.103	39%	0.385	C	S	.	.	H	α-helix	trans	-71.6	-42.1	176.9	-72.7	177.5	-6.4	0	0	112.6	K70 I71 N72 D76 W77 I78 I98 E99 Y101	K70-Q74 WeakPolarHBondContact O-CG 3.5Å; K70-Q74 PolarHBondContact O-N 3.47Å; K70-Q74 VanDerWaalsContact O-N 3.15Å; I71-Q74 PolarHBondContact O-N 3.5Å; N72-Q74 VanDerWaalsContact C-N 3.27Å; N72-Q74 PolarHBondContact O-N 2.96Å; Q74-D76 VanDerWaalsContact C-N 3.3Å; Q74-D76 PolarHBondContact O-N 3.42Å; Q74-W77 PolarHBondContact O-N 2.91Å; Q74-I78 WeakPolarHBondContact O-CG1 3.37Å; Q74-I78 PolarHBondContact O-N 2.88Å; Q74-I98 HydrophobicContact CG-CG2 4.31Å; Q74-E99 PolarHBondContact NE2-O 2.99Å; Q74-Y101 VanDerWaalsContact NE2-CD2 3.3Å
75	N	82.4	Confident	83.3	Confident	83 Å²	83	73.5 Å²	73.5	44%	0.444	37%	0.369	S	S	.	.	H	α-helix	trans	-60.2	-43	175.6	-73.1	-20.3	0	0	0	111.1	I71 N72 I78 K79	I71-N75 PolarHBondContact O-N 3.31Å; I71-N75 PolarHBondContact O-ND2 3.14Å; N72-N75 PolarHBondContact O-N 3.33Å; N75-I78 PolarHBondContact O-N 3.48Å; N75-K79 VanDerWaalsContact O-CB 3.3Å; N75-K79 WeakPolarHBondContact O-CB 3.31Å; N75-K79 PolarHBondContact O-N 2.95Å
76	D	83.9	Confident	82.7	Confident	104 Å²	104	76.8 Å²	76.8	56%	0.556	38%	0.378	S	S	*	.	H	α-helix	trans	-63.3	-44.3	175.5	-78	-8.6	0	0	0	111.2	N72 Q74 I78 K79 T80	N72-D76 WeakPolarHBondContact O-CB 3.26Å; N72-D76 PolarHBondContact O-N 3.28Å; Q74-D76 VanDerWaalsContact C-N 3.3Å; Q74-D76 PolarHBondContact O-N 3.42Å; D76-I78 PolarHBondContact O-N 3.05Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 3.37Å; D76-T80 PolarHBondContact O-N 2.98Å; D76-T80 PolarHBondContact O-OG1 3.46Å; D76-T80 VanDerWaalsContact O-OG1 3.07Å
77	W	80.4	Confident	82.5	Confident	39 Å²	39	80.3 Å²	80.3	15%	0.148	39%	0.389	C	S	.	.	H	α-helix	trans	-60.8	-46.7	176.3	-179.3	87.5	0	0	0	112.3	Q73 Q74 K79 T80 Q81 D95 I98 I100 Y108	Q73-W77 WeakPolarHBondContact O-CB 3.09Å; Q73-W77 PolarHBondContact O-N 3.47Å; Q74-W77 PolarHBondContact O-N 2.91Å; W77-K79 VanDerWaalsContact C-N 3.33Å; W77-K79 PolarHBondContact O-N 2.95Å; W77-T80 PolarHBondContact O-N 3.43Å; W77-Q81 HydrophobicContact CD2-CG 4.06Å; W77-Q81 HydrophobicContact CE3-CG 4.19Å; W77-Q81 HydrophobicContact CH2-CG 4.06Å; W77-Q81 HydrophobicContact CZ2-CG 3.93Å; W77-Q81 HydrophobicContact CZ3-CG 4.19Å; W77-Q81 WeakPolarHBondContact O-CG 3Å; W77-Q81 PolarHBondContact O-N 3.23Å; W77-D95 PolarHBondContact NE1-OD2 2.95Å; W77-D95 VanDerWaalsContact NE1-OD2 3.14Å; W77-I98 HydrophobicContact CB-CD1 4.21Å; W77-I98 VanDerWaalsContact CD1-CD1 3.41Å; W77-I98 HydrophobicContact CD2-CD1 3.63Å; W77-I98 HydrophobicContact CE3-CD1 4.38Å; W77-I98 HydrophobicContact CG-CD1 3.51Å; W77-I98 HydrophobicContact CZ2-CD1 4.4Å; W77-I100 HydrophobicContact CH2-CD1 4.19Å; W77-I100 HydrophobicContact CZ3-CD1 4.41Å; W77-Y108 HydrophobicContact CH2-CD2 4.23Å
78	I	82.2	Confident	82	Confident	22 Å²	22	77.8 Å²	77.8	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-45	176.6	-69.8	171	0	0	0	110.5	Q74 N75 D76 T80 Q81 I82 T104 L107	Q74-I78 WeakPolarHBondContact O-CG1 3.37Å; Q74-I78 PolarHBondContact O-N 2.88Å; N75-I78 PolarHBondContact O-N 3.48Å; D76-I78 PolarHBondContact O-N 3.05Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 2.9Å; I78-Q81 PolarHBondContact O-N 3.36Å; I78-Q81 VanDerWaalsContact O-N 3.11Å; I78-I82 HydrophobicContact CG2-CD1 3.84Å; I78-I82 HydrophobicContact CG2-CG1 4.4Å; I78-I82 WeakPolarHBondContact O-CG1 3Å; I78-I82 PolarHBondContact O-N 2.88Å; I78-T104 HydrophobicContact CD1-CG2 3.6Å; I78-L107 HydrophobicContact CD1-CD2 4.11Å; I78-L107 HydrophobicContact CG2-CD2 3.59Å
79	K	85.1	Confident	81.6	Confident	120 Å²	120	80.1 Å²	80.1	52%	0.522	39%	0.385	S	S	.	.	H	α-helix	trans	-57.4	-47	177.4	-176.5	-176.8	174	-166.3	0	110.5	N75 D76 W77 Q81 I82 E83	N75-K79 VanDerWaalsContact O-CB 3.3Å; N75-K79 WeakPolarHBondContact O-CB 3.31Å; N75-K79 PolarHBondContact O-N 2.95Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 3.37Å; W77-K79 VanDerWaalsContact C-N 3.33Å; W77-K79 PolarHBondContact O-N 2.95Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.01Å; K79-I82 PolarHBondContact O-N 3.04Å; K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 IonicContact NZ-OE1 2.92Å; K79-E83 WeakPolarHBondContact O-CG 3.31Å; K79-E83 PolarHBondContact O-N 3.14Å
80	T	83.9	Confident	81	Confident	51 Å²	51	77.4 Å²	77.4	31%	0.313	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-37.6	175.5	-56.7	0	0	0	0	112.3	D76 W77 I78 E83 R84	D76-T80 PolarHBondContact O-N 2.98Å; D76-T80 PolarHBondContact O-OG1 3.46Å; D76-T80 VanDerWaalsContact O-OG1 3.07Å; W77-T80 PolarHBondContact O-N 3.43Å; I78-T80 VanDerWaalsContact C-N 3.31Å; I78-T80 PolarHBondContact O-N 2.9Å; T80-E83 PolarHBondContact O-N 3.38Å; T80-R84 HydrophobicContact CG2-CG 4.42Å; T80-R84 WeakPolarHBondContact O-CB 3.49Å; T80-R84 VanDerWaalsContact O-CG 3.23Å; T80-R84 WeakPolarHBondContact O-CG 3.48Å; T80-R84 PolarHBondContact O-N 3.42Å
81	Q	80.9	Confident	80.5	Confident	12 Å²	12	73.4 Å²	73.4	6%	0.056	37%	0.37	C	S	.	.	H	α-helix	trans	-66	-38.3	174.9	-63.1	-47.3	-46.2	0	0	112.5	W77 I78 K79 S85 V91 L111	W77-Q81 HydrophobicContact CD2-CG 4.06Å; W77-Q81 HydrophobicContact CE3-CG 4.19Å; W77-Q81 HydrophobicContact CH2-CG 4.06Å; W77-Q81 HydrophobicContact CZ2-CG 3.93Å; W77-Q81 HydrophobicContact CZ3-CG 4.19Å; W77-Q81 WeakPolarHBondContact O-CG 3Å; W77-Q81 PolarHBondContact O-N 3.23Å; I78-Q81 PolarHBondContact O-N 3.36Å; I78-Q81 VanDerWaalsContact O-N 3.11Å; K79-Q81 VanDerWaalsContact C-N 3.33Å; K79-Q81 PolarHBondContact O-N 3.01Å; Q81-S85 WeakPolarHBondContact O-CB 3.49Å; Q81-S85 PolarHBondContact O-N 3.3Å; Q81-V91 HydrophobicContact CB-CG1 4.1Å; Q81-V91 HydrophobicContact CG-CG1 4.35Å; Q81-V91 WeakPolarHBondContact O-CG2 3.39Å; Q81-L111 HydrophobicContact CB-CD2 4.03Å
82	I	82.6	Confident	79.9	Confident	70 Å²	70	71.6 Å²	71.6	36%	0.359	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-44.4	175.5	-66.6	169.4	0	0	0	110.3	I78 K79 S85 M86 L111	I78-I82 HydrophobicContact CG2-CD1 3.84Å; I78-I82 HydrophobicContact CG2-CG1 4.4Å; I78-I82 WeakPolarHBondContact O-CG1 3Å; I78-I82 PolarHBondContact O-N 2.88Å; K79-I82 PolarHBondContact O-N 3.04Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 2.9Å; I82-M86 HydrophobicContact CG2-SD 4.4Å; I82-M86 WeakPolarHBondContact O-CG 3.27Å; I82-M86 PolarHBondContact O-N 3.28Å; I82-L111 HydrophobicContact CG1-CD1 4.18Å; I82-L111 HydrophobicContact CG1-CD2 4.26Å
83	E	85.4	Confident	78.6	Confident	83 Å²	83	70.6 Å²	70.6	39%	0.388	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-49.3	176.1	-74.4	171.2	168.8	0	0	111.1	K79 T80 S85 M86 E87	K79-E83 WeakPolarHBondContact CE-OE1 3.44Å; K79-E83 IonicContact NZ-OE1 2.92Å; K79-E83 WeakPolarHBondContact O-CG 3.31Å; K79-E83 PolarHBondContact O-N 3.14Å; T80-E83 PolarHBondContact O-N 3.38Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 3.01Å; E83-M86 CarbonylContact O-C 3.59Å; E83-M86 WeakPolarHBondContact O-CA 3.42Å; E83-M86 WeakPolarHBondContact O-CB 3.49Å; E83-M86 PolarHBondContact O-N 3.07Å; E83-E87 WeakPolarHBondContact O-CG 3.31Å; E83-E87 PolarHBondContact O-N 3.2Å
84	R	81.1	Confident	77.4	Confident	105 Å²	105	72.1 Å²	72.1	40%	0.396	38%	0.376	S	S	.	.	H	α-helix	trans	-56.2	-43.6	174.1	-74.7	179.4	-177.1	-179.5	2.1	112.5	T80 M86 E87 G88 E89	T80-R84 HydrophobicContact CG2-CG 4.42Å; T80-R84 WeakPolarHBondContact O-CB 3.49Å; T80-R84 VanDerWaalsContact O-CG 3.23Å; T80-R84 WeakPolarHBondContact O-CG 3.48Å; T80-R84 PolarHBondContact O-N 3.42Å; R84-M86 VanDerWaalsContact C-N 3.35Å; R84-M86 PolarHBondContact O-N 2.75Å; R84-E87 PolarHBondContact O-N 3.41Å; R84-G88 PolarHBondContact O-N 3.12Å; R84-G88 VanDerWaalsContact O-N 3.16Å; R84-E89 HydrophobicContact CB-CB 4.11Å; R84-E89 VanDerWaalsContact CD-OE2 3.31Å; R84-E89 WeakPolarHBondContact CD-OE2 3.44Å; R84-E89 VanDerWaalsContact CG-OE2 3.23Å; R84-E89 WeakPolarHBondContact CG-OE2 3.37Å; R84-E89 IonicContact NE-OE2 2.64Å; R84-E89 WeakPolarHBondContact O-CB 3.43Å; R84-E89 PolarHBondContact O-N 3.07Å
85	S	78.3	Confident	76.3	Confident	6 Å²	6	74.9 Å²	74.9	4%	0.042	39%	0.392	C	S	.	.	H	α-helix	trans	-61.6	-41.8	175.2	177.5	0	0	0	0	112.3	Q81 I82 E83 E87 G88 N115 R122	Q81-S85 WeakPolarHBondContact O-CB 3.49Å; Q81-S85 PolarHBondContact O-N 3.3Å; I82-S85 WeakPolarHBondContact O-CB 3.37Å; I82-S85 PolarHBondContact O-N 2.9Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 3.01Å; S85-E87 VanDerWaalsContact C-N 3.32Å; S85-G88 PolarHBondContact O-N 3.25Å; S85-N115 WeakPolarHBondContact CA-ND2 3.39Å; S85-N115 VanDerWaalsContact CB-ND2 3.3Å; S85-N115 WeakPolarHBondContact CB-ND2 3.47Å; S85-N115 PolarHBondContact OG-ND2 3.47Å; S85-R122 PolarHBondContact O-NH1 3.28Å; S85-R122 VanDerWaalsContact O-NH1 3.09Å
86	M	78.3	Confident	74.7	Confident	138 Å²	138	79 Å²	79	68%	0.68	41%	0.409	S	S	*	.	H	α-helix	trans	-64.4	-36.6	174.9	-73.9	-176.8	58.7	0	0	111.9	I82 E83 R84 G88 R122	I82-M86 HydrophobicContact CG2-SD 4.4Å; I82-M86 WeakPolarHBondContact O-CG 3.27Å; I82-M86 PolarHBondContact O-N 3.28Å; E83-M86 CarbonylContact O-C 3.59Å; E83-M86 WeakPolarHBondContact O-CA 3.42Å; E83-M86 WeakPolarHBondContact O-CB 3.49Å; E83-M86 PolarHBondContact O-N 3.07Å; R84-M86 VanDerWaalsContact C-N 3.35Å; R84-M86 PolarHBondContact O-N 2.75Å; M86-G88 VanDerWaalsContact C-N 3.33Å; M86-G88 PolarHBondContact O-N 3.01Å; M86-R122 PolarHBondContact O-NH2 2.91Å
87	E	83.2	Confident	73.2	Confident	153 Å²	153	81.2 Å²	81.2	72%	0.715	42%	0.42	S	S	*	.	H	α-helix	trans	-75.5	-15.5	179.8	-72.9	179.1	175.1	0	0	114.4	E83 R84 S85	E83-E87 WeakPolarHBondContact O-CG 3.31Å; E83-E87 PolarHBondContact O-N 3.2Å; R84-E87 PolarHBondContact O-N 3.41Å; S85-E87 VanDerWaalsContact C-N 3.32Å
88	G	75	Confident	72	Confident	28 Å²	28	81.9 Å²	81.9	29%	0.289	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	124.8	-17.2	-179.3	0	0	0	0	0	115.3	R84 S85 M86	R84-G88 PolarHBondContact O-N 3.12Å; R84-G88 VanDerWaalsContact O-N 3.16Å; S85-G88 PolarHBondContact O-N 3.25Å; M86-G88 VanDerWaalsContact C-N 3.33Å; M86-G88 PolarHBondContact O-N 3.01Å
89	E	77.2	Confident	70.9	Confident	96 Å²	96	89.1 Å²	89.1	45%	0.449	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-76.1	147.8	-169.5	-57.3	-171.8	168.7	0	0	111.8	R84 N115	R84-E89 HydrophobicContact CB-CB 4.11Å; R84-E89 VanDerWaalsContact CD-OE2 3.31Å; R84-E89 WeakPolarHBondContact CD-OE2 3.44Å; R84-E89 VanDerWaalsContact CG-OE2 3.23Å; R84-E89 WeakPolarHBondContact CG-OE2 3.37Å; R84-E89 IonicContact NE-OE2 2.64Å; R84-E89 WeakPolarHBondContact O-CB 3.43Å; R84-E89 PolarHBondContact O-N 3.07Å; E89-N115 PolarHBondContact O-ND2 2.92Å
90	T	73	Confident	69.6	Low	106 Å²	106	85.2 Å²	85.2	65%	0.65	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-79.8	126.8	173.6	54.9	0	0	0	0	110.1	N115	T90-N115 WeakPolarHBondContact CA-OD1 3.39Å
91	V	72.1	Confident	68.8	Low	11 Å²	11	87.6 Å²	87.6	7%	0.067	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-95.3	131.6	-178.3	177.2	0	0	0	0	110.6	Q81 Y108 L111 N115	Q81-V91 HydrophobicContact CB-CG1 4.1Å; Q81-V91 HydrophobicContact CG-CG1 4.35Å; Q81-V91 WeakPolarHBondContact O-CG2 3.39Å; V91-Y108 HydrophobicContact CG1-CE2 4Å; V91-L111 HydrophobicContact CG1-CD2 4.19Å; V91-N115 PolarHBondContact N-OD1 3.29Å
92	G	67.9	Low	68.1	Low	43 Å²	43	90.2 Å²	90.2	44%	0.443	47%	0.468	S	S	.	.			trans	-148.7	143.4	-176.1	0	0	0	0	0	114.1	N94 Y108	G92-N94 PolarHBondContact O-N 2.91Å; G92-Y108 WeakPolarHBondContact CA-OH 3.34Å
93	I	57.7	Low	67.3	Low	76 Å²	76	90.5 Å²	90.5	39%	0.39	47%	0.467	S	S	.	.	S	Bend	trans	-78.9	67	170.8	-61.8	148.7	0	0	0	107.9	Y108	I93-Y108 HydrophobicContact CB-CE1 4.44Å; I93-Y108 HydrophobicContact CD1-CD1 3.37Å; I93-Y108 HydrophobicContact CD1-CE1 3.04Å; I93-Y108 HydrophobicContact CD1-CE2 4.4Å; I93-Y108 HydrophobicContact CD1-CG 4.19Å; I93-Y108 HydrophobicContact CG1-CD1 3.8Å; I93-Y108 HydrophobicContact CG1-CD2 4.2Å; I93-Y108 HydrophobicContact CG1-CE1 3.29Å; I93-Y108 HydrophobicContact CG1-CE2 3.74Å; I93-Y108 HydrophobicContact CG1-CG 4.23Å; I93-Y108 PolarHBondContact N-OH 3.49Å
94	N	55.6	Low	66.5	Low	146 Å²	146	87.5 Å²	87.5	78%	0.781	46%	0.455	S	S	*	.			trans	-104.1	5.5	158.1	-97.3	-5.9	0	0	0	112.1	G92 Q96	G92-N94 PolarHBondContact O-N 2.91Å; N94-Q96 VanDerWaalsContact C-N 3.31Å; N94-Q96 PolarHBondContact O-N 3.25Å
95	D	56.1	Low	66.1	Low	80 Å²	80	85.6 Å²	85.6	43%	0.428	45%	0.452	S	S	.	.			trans	-81.4	82.2	170.6	-149.8	-5.1	0	0	0	108.8	W77 N97	W77-D95 PolarHBondContact NE1-OD2 2.95Å; W77-D95 VanDerWaalsContact NE1-OD2 3.14Å; D95-N97 PolarHBondContact O-N 3.18Å
96	Q	49.5	Very low	66	Low	171 Å²	171	90.3 Å²	90.3	80%	0.799	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	5	-167.1	-76.5	-173.6	-28.8	0	0	116.3	N94	N94-Q96 VanDerWaalsContact C-N 3.31Å; N94-Q96 PolarHBondContact O-N 3.25Å
97	N	51.7	Low	66	Low	150 Å²	150	88.1 Å²	88.1	80%	0.802	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.8	8.5	-165.2	-73.1	-27.4	0	0	0	116.4	D95	D95-N97 PolarHBondContact O-N 3.18Å
98	I	55.3	Low	65.6	Low	52 Å²	52	81.8 Å²	81.8	27%	0.267	44%	0.437	S	S	.	.			trans	-102.1	115.1	174.7	-53.5	178.5	0	0	0	108.4	Q74 W77 I100	Q74-I98 HydrophobicContact CG-CG2 4.31Å; W77-I98 HydrophobicContact CB-CD1 4.21Å; W77-I98 VanDerWaalsContact CD1-CD1 3.41Å; W77-I98 HydrophobicContact CD2-CD1 3.63Å; W77-I98 HydrophobicContact CE3-CD1 4.38Å; W77-I98 HydrophobicContact CG-CD1 3.51Å; W77-I98 HydrophobicContact CZ2-CD1 4.4Å; I98-I100 HydrophobicContact CB-CG1 4Å; I98-I100 HydrophobicContact CG2-CG1 3.76Å; I98-I100 WeakPolarHBondContact O-CG1 3.34Å; I98-I100 PolarHBondContact O-N 2.87Å
99	E	59.7	Low	65.8	Low	174 Å²	174	85.8 Å²	85.8	81%	0.813	45%	0.448	S	S	*	.			trans	-68.3	86.7	163.5	-160.3	174.7	-160.5	0	0	106.9	Q74 Y101	Q74-E99 PolarHBondContact NE2-O 2.99Å; E99-Y101 PolarHBondContact O-N 3.11Å
100	I	58	Low	66.1	Low	38 Å²	38	85.9 Å²	85.9	20%	0.195	46%	0.456	C	S	.	.			trans	-72.7	117.3	-177.1	-69.3	172.6	0	0	0	107.2	W77 I98 T104 L105	W77-I100 HydrophobicContact CH2-CD1 4.19Å; W77-I100 HydrophobicContact CZ3-CD1 4.41Å; I98-I100 HydrophobicContact CB-CG1 4Å; I98-I100 HydrophobicContact CG2-CG1 3.76Å; I98-I100 WeakPolarHBondContact O-CG1 3.34Å; I98-I100 PolarHBondContact O-N 2.87Å; I100-T104 WeakPolarHBondContact CG2-OG1 3.3Å; I100-L105 HydrophobicContact CG2-CB 3.85Å; I100-L105 HydrophobicContact CG2-CD1 4.29Å; I100-L105 VanDerWaalsContact CG2-N 3.25Å
101	Y	65.3	Low	66.5	Low	101 Å²	101	82 Å²	82	40%	0.396	43%	0.431	S	S	.	.			trans	-57.9	155.1	171.6	-70.2	-78.2	0	0	0	110.6	Q74 E99 E103 T104 L105	Q74-Y101 VanDerWaalsContact NE2-CD2 3.3Å; E99-Y101 PolarHBondContact O-N 3.11Å; Y101-E103 PolarHBondContact O-N 2.94Å; Y101-T104 PolarHBondContact N-OG1 3.41Å; Y101-T104 VanDerWaalsContact N-OG1 3.13Å; Y101-T104 PolarHBondContact O-N 2.9Å; Y101-T104 PolarHBondContact O-OG1 3.44Å; Y101-L105 PolarHBondContact O-N 2.89Å; Y101-L105 VanDerWaalsContact O-N 3.12Å
102	S	66.5	Low	67.1	Low	68 Å²	68	82.7 Å²	82.7	48%	0.476	44%	0.435	S	S	.	.	H	α-helix	trans	-47.7	-40.2	-179.4	44	0	0	0	0	114.1	L105 D106	S102-L105 WeakPolarHBondContact O-CB 3.34Å; S102-L105 PolarHBondContact O-N 3.25Å; S102-D106 PolarHBondContact O-N 2.91Å
103	E	65.5	Low	67.9	Low	75 Å²	75	83.7 Å²	83.7	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-70.8	-36	-179	-67	83.8	174.8	0	0	113.4	R6 Y101 L105 D106 L107	R6-E103 IonicContact CZ-OE1 2.66Å; R6-E103 IonicContact NH1-OE1 2.8Å; R6-E103 PolarHBondContact NH1-OE1 3.34Å; R6-E103 IonicContact NH1-OE2 3.01Å; R6-E103 IonicContact NH2-OE1 3.94Å; R6-E103 PolarHBondContact NH2-OE1 2.76Å; R6-E103 IonicContact NH2-OE2 3.32Å; Y101-E103 PolarHBondContact O-N 2.94Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-D106 PolarHBondContact O-N 3.43Å; E103-L107 PolarHBondContact O-N 3.46Å
104	T	68.7	Low	69.2	Low	21 Å²	21	84.6 Å²	84.6	13%	0.129	44%	0.439	C	S	.	.	H	α-helix	trans	-74.2	-25.7	178.3	50.1	0	0	0	0	110.8	I78 I100 Y101 Y108	I78-T104 HydrophobicContact CD1-CG2 3.6Å; I100-T104 WeakPolarHBondContact CG2-OG1 3.3Å; Y101-T104 PolarHBondContact N-OG1 3.41Å; Y101-T104 VanDerWaalsContact N-OG1 3.13Å; Y101-T104 PolarHBondContact O-N 2.9Å; Y101-T104 PolarHBondContact O-OG1 3.44Å; T104-Y108 VanDerWaalsContact O-CB 3.31Å; T104-Y108 WeakPolarHBondContact O-CB 3.42Å; T104-Y108 PolarHBondContact O-N 3.47Å
105	L	73.1	Confident	70.5	Confident	65 Å²	65	77.9 Å²	77.9	34%	0.34	40%	0.403	S	S	.	.	H	α-helix	trans	-68.4	-41.6	171.7	-167.8	69.8	0	0	0	112	I100 Y101 S102 E103 Y108 H109	I100-L105 HydrophobicContact CG2-CB 3.85Å; I100-L105 HydrophobicContact CG2-CD1 4.29Å; I100-L105 VanDerWaalsContact CG2-N 3.25Å; Y101-L105 PolarHBondContact O-N 2.89Å; Y101-L105 VanDerWaalsContact O-N 3.12Å; S102-L105 WeakPolarHBondContact O-CB 3.34Å; S102-L105 PolarHBondContact O-N 3.25Å; E103-L105 VanDerWaalsContact C-N 3.26Å; L105-Y108 WeakPolarHBondContact O-CB 3.3Å; L105-Y108 PolarHBondContact O-N 3.46Å; L105-H109 PolarHBondContact O-CD2 3.49Å; L105-H109 PolarHBondContact O-N 2.93Å
106	D	76.8	Confident	72	Confident	104 Å²	104	79 Å²	79	56%	0.556	41%	0.405	S	S	*	.	H	α-helix	trans	-64.5	-43.8	176.3	-73.5	-18.2	0	0	0	112.1	S102 E103 Y108 H109 T110	S102-D106 PolarHBondContact O-N 2.91Å; E103-D106 PolarHBondContact O-N 3.43Å; D106-Y108 PolarHBondContact O-N 3.29Å; D106-H109 PolarHBondContact O-N 2.87Å; D106-T110 PolarHBondContact O-N 2.85Å; D106-T110 VanDerWaalsContact O-N 3.12Å; D106-T110 PolarHBondContact O-OG1 3.3Å
107	L	77.3	Confident	73.7	Confident	93 Å²	93	75.8 Å²	75.8	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-40.7	175.4	-157.1	84.3	0	0	0	110.6	I78 E103 T110 L111	I78-L107 HydrophobicContact CD1-CD2 4.11Å; I78-L107 HydrophobicContact CG2-CD2 3.59Å; E103-L107 PolarHBondContact O-N 3.46Å; L107-T110 WeakPolarHBondContact O-CB 3.35Å; L107-T110 PolarHBondContact O-N 3.39Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 3.26Å
108	Y	75.7	Confident	75.4	Confident	20 Å²	20	71.8 Å²	71.8	8%	0.078	37%	0.369	C	S	.	.	H	α-helix	trans	-66.7	-45	176.8	-178.6	-87.3	0	0	0	112.9	W77 V91 G92 I93 T104 L105 D106 T110 L111 V112	W77-Y108 HydrophobicContact CH2-CD2 4.23Å; V91-Y108 HydrophobicContact CG1-CE2 4Å; G92-Y108 WeakPolarHBondContact CA-OH 3.34Å; I93-Y108 HydrophobicContact CB-CE1 4.44Å; I93-Y108 HydrophobicContact CD1-CD1 3.37Å; I93-Y108 HydrophobicContact CD1-CE1 3.04Å; I93-Y108 HydrophobicContact CD1-CE2 4.4Å; I93-Y108 HydrophobicContact CD1-CG 4.19Å; I93-Y108 HydrophobicContact CG1-CD1 3.8Å; I93-Y108 HydrophobicContact CG1-CD2 4.2Å; I93-Y108 HydrophobicContact CG1-CE1 3.29Å; I93-Y108 HydrophobicContact CG1-CE2 3.74Å; I93-Y108 HydrophobicContact CG1-CG 4.23Å; I93-Y108 PolarHBondContact N-OH 3.49Å; T104-Y108 VanDerWaalsContact O-CB 3.31Å; T104-Y108 WeakPolarHBondContact O-CB 3.42Å; T104-Y108 PolarHBondContact O-N 3.47Å; L105-Y108 WeakPolarHBondContact O-CB 3.3Å; L105-Y108 PolarHBondContact O-N 3.46Å; D106-Y108 PolarHBondContact O-N 3.29Å; Y108-T110 PolarHBondContact O-N 2.88Å; Y108-T110 VanDerWaalsContact O-N 3.14Å; Y108-L111 PolarHBondContact O-N 3.4Å; Y108-V112 HydrophobicContact CD1-CG2 3.97Å; Y108-V112 HydrophobicContact CD2-CG2 4.3Å; Y108-V112 HydrophobicContact CE1-CB 4.37Å; Y108-V112 HydrophobicContact CE1-CG2 3.2Å; Y108-V112 HydrophobicContact CE2-CG2 3.62Å; Y108-V112 HydrophobicContact CG-CG2 4.44Å; Y108-V112 PolarHBondContact O-N 2.93Å; Y108-V112 WeakPolarHBondContact OH-CG2 3.42Å
109	H	79.8	Confident	76.8	Confident	111 Å²	111	72.8 Å²	72.8	51%	0.514	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-22.5	174.6	-80.1	-53.2	0	0	0	112.8	L105 D106 P113	L105-H109 PolarHBondContact O-CD2 3.49Å; L105-H109 PolarHBondContact O-N 2.93Å; D106-H109 PolarHBondContact O-N 2.87Å; H109-P113 WeakPolarHBondContact O-CD 3.45Å; H109-P113 VanDerWaalsContact O-CG 3.27Å; H109-P113 WeakPolarHBondContact O-CG 3.23Å
110	T	82	Confident	78.1	Confident	99 Å²	99	69.9 Å²	69.9	61%	0.607	36%	0.357	S	S	*	.	H	α-helix	trans	-86.2	-39.2	172.2	-51.3	0	0	0	0	112.1	D106 L107 Y108 L114	D106-T110 PolarHBondContact O-N 2.85Å; D106-T110 VanDerWaalsContact O-N 3.12Å; D106-T110 PolarHBondContact O-OG1 3.3Å; L107-T110 WeakPolarHBondContact O-CB 3.35Å; L107-T110 PolarHBondContact O-N 3.39Å; Y108-T110 PolarHBondContact O-N 2.88Å; Y108-T110 VanDerWaalsContact O-N 3.14Å; T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 PolarHBondContact O-N 2.94Å
111	L	82	Confident	79.6	Confident	25 Å²	25	72.9 Å²	72.9	13%	0.131	37%	0.373	C	S	.	.	H	α-helix	trans	-67.4	-41.3	-177.2	-175.8	65.5	0	0	0	112.7	Q81 I82 V91 L107 Y108 L114 N115	Q81-L111 HydrophobicContact CB-CD2 4.03Å; I82-L111 HydrophobicContact CG1-CD1 4.18Å; I82-L111 HydrophobicContact CG1-CD2 4.26Å; V91-L111 HydrophobicContact CG1-CD2 4.19Å; L107-L111 WeakPolarHBondContact O-CB 3.44Å; L107-L111 PolarHBondContact O-N 3.26Å; Y108-L111 PolarHBondContact O-N 3.4Å; L111-L114 PolarHBondContact O-N 2.9Å; L111-N115 WeakPolarHBondContact O-CB 3.43Å; L111-N115 PolarHBondContact O-N 2.88Å
112	V	84.6	Confident	80.6	Confident	24 Å²	24	73 Å²	73	15%	0.145	37%	0.372	C	S	.	.	H	α-helix	trans	-64	-52.6	-176.5	173.7	0	0	0	0	113	Y108 L114 N115 Q116	Y108-V112 HydrophobicContact CD1-CG2 3.97Å; Y108-V112 HydrophobicContact CD2-CG2 4.3Å; Y108-V112 HydrophobicContact CE1-CB 4.37Å; Y108-V112 HydrophobicContact CE1-CG2 3.2Å; Y108-V112 HydrophobicContact CE2-CG2 3.62Å; Y108-V112 HydrophobicContact CG-CG2 4.44Å; Y108-V112 PolarHBondContact O-N 2.93Å; Y108-V112 WeakPolarHBondContact OH-CG2 3.42Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 3.45Å; V112-N115 PolarHBondContact O-N 3.42Å; V112-Q116 HydrophobicContact CG1-CG 4.48Å; V112-Q116 WeakPolarHBondContact O-CG 3.44Å; V112-Q116 PolarHBondContact O-N 3.16Å
113	P	85.2	Confident	81.6	Confident	65 Å²	65	73.2 Å²	73.2	42%	0.422	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-38.1	177.5	-22.6	35.2	0	0	0	111.7	H109 Q116 E117	H109-P113 WeakPolarHBondContact O-CD 3.45Å; H109-P113 VanDerWaalsContact O-CG 3.27Å; H109-P113 WeakPolarHBondContact O-CG 3.23Å; P113-Q116 WeakPolarHBondContact O-CB 3.37Å; P113-Q116 PolarHBondContact O-N 2.91Å; P113-E117 WeakPolarHBondContact O-CG 3.23Å; P113-E117 PolarHBondContact O-N 3.05Å
114	L	83.8	Confident	82.6	Confident	95 Å²	95	76 Å²	76	50%	0.497	38%	0.379	S	S	.	.	H	α-helix	trans	-61.8	-45.6	175.9	179	62.9	0	0	0	111.9	T110 L111 V112 Q116 E117 L118	T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 PolarHBondContact O-N 2.94Å; L111-L114 PolarHBondContact O-N 2.9Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 3.45Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 2.87Å; L114-E117 PolarHBondContact O-N 3.43Å; L114-L118 HydrophobicContact CD1-CG 4.45Å; L114-L118 HydrophobicContact CG-CD1 4.32Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.33Å
115	N	84	Confident	83.3	Confident	4 Å²	4	78.6 Å²	78.6	2%	0.021	40%	0.395	C	S	.	.	H	α-helix	trans	-61.2	-41.5	175.8	177.5	-97.3	0	0	0	111.5	S85 E89 T90 V91 L111 V112 L118 H119	S85-N115 WeakPolarHBondContact CA-ND2 3.39Å; S85-N115 VanDerWaalsContact CB-ND2 3.3Å; S85-N115 WeakPolarHBondContact CB-ND2 3.47Å; S85-N115 PolarHBondContact OG-ND2 3.47Å; E89-N115 PolarHBondContact O-ND2 2.92Å; T90-N115 WeakPolarHBondContact CA-OD1 3.39Å; V91-N115 PolarHBondContact N-OD1 3.29Å; L111-N115 WeakPolarHBondContact O-CB 3.43Å; L111-N115 PolarHBondContact O-N 2.88Å; V112-N115 PolarHBondContact O-N 3.42Å; N115-L118 PolarHBondContact O-N 3.24Å; N115-H119 WeakPolarHBondContact O-CB 3.5Å; N115-H119 PolarHBondContact O-N 3.21Å
116	Q	86.5	Confident	83.8	Confident	104 Å²	104	80.8 Å²	80.8	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-62.2	-43	174.7	-71.4	176.9	-6.4	0	0	112.1	V112 P113 L114 H119 K120	V112-Q116 HydrophobicContact CG1-CG 4.48Å; V112-Q116 WeakPolarHBondContact O-CG 3.44Å; V112-Q116 PolarHBondContact O-N 3.16Å; P113-Q116 WeakPolarHBondContact O-CB 3.37Å; P113-Q116 PolarHBondContact O-N 2.91Å; L114-Q116 VanDerWaalsContact C-N 3.32Å; L114-Q116 PolarHBondContact O-N 2.87Å; Q116-H119 PolarHBondContact O-N 2.87Å; Q116-K120 WeakPolarHBondContact O-CG 3.41Å; Q116-K120 PolarHBondContact O-N 3.28Å
117	E	87.1	Confident	84.3	Confident	104 Å²	104	79.9 Å²	79.9	49%	0.486	40%	0.399	S	S	.	.	H	α-helix	trans	-67	-41.7	176.5	-72.3	-54.8	133.8	0	0	112.3	P113 L114 H119 K120 L121	P113-E117 WeakPolarHBondContact O-CG 3.23Å; P113-E117 PolarHBondContact O-N 3.05Å; L114-E117 PolarHBondContact O-N 3.43Å; E117-H119 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 3.19Å; E117-K120 PolarHBondContact O-N 3.41Å; E117-K120 IonicContact OE1-NZ 3.62Å; E117-K120 PolarHBondContact OE1-NZ 3.09Å; E117-L121 WeakPolarHBondContact O-CB 3.42Å; E117-L121 PolarHBondContact O-N 3.42Å
118	L	85.7	Confident	84.6	Confident	66 Å²	66	79.2 Å²	79.2	35%	0.346	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-40.2	173.2	-73.6	175.2	0	0	0	111.8	L114 N115 L121 R122	L114-L118 HydrophobicContact CD1-CG 4.45Å; L114-L118 HydrophobicContact CG-CD1 4.32Å; L114-L118 WeakPolarHBondContact O-CG 3.37Å; L114-L118 PolarHBondContact O-N 3.33Å; N115-L118 PolarHBondContact O-N 3.24Å; L118-L121 PolarHBondContact O-N 3.37Å; L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 VanDerWaalsContact O-CG 3.31Å; L118-R122 WeakPolarHBondContact O-CG 3.4Å; L118-R122 PolarHBondContact O-N 3.45Å
119	H	85.4	Confident	84.8	Confident	72 Å²	72	82.2 Å²	82.2	33%	0.333	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-45.4	176.1	-171.8	76.8	0	0	0	111.7	N115 Q116 E117 L121 R122 L123	N115-H119 WeakPolarHBondContact O-CB 3.5Å; N115-H119 PolarHBondContact O-N 3.21Å; Q116-H119 PolarHBondContact O-N 2.87Å; E117-H119 VanDerWaalsContact C-N 3.3Å; E117-H119 PolarHBondContact O-N 3.19Å; H119-L121 VanDerWaalsContact C-N 3.32Å; H119-L121 PolarHBondContact O-N 2.99Å; H119-R122 PolarHBondContact O-N 3.42Å; H119-L123 WeakPolarHBondContact O-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.89Å
120	K	88	Confident	84.9	Confident	113 Å²	113	80.8 Å²	80.8	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-59.1	-42	173.5	-72.7	175	-168	167.1	0	112.1	Q116 E117 L123 K124	Q116-K120 WeakPolarHBondContact O-CG 3.41Å; Q116-K120 PolarHBondContact O-N 3.28Å; E117-K120 PolarHBondContact O-N 3.41Å; E117-K120 IonicContact OE1-NZ 3.62Å; E117-K120 PolarHBondContact OE1-NZ 3.09Å; K120-L123 PolarHBondContact O-N 3.36Å; K120-K124 WeakPolarHBondContact O-CB 3.12Å; K120-K124 PolarHBondContact O-N 2.92Å
121	L	88	Confident	84.8	Confident	102 Å²	102	81.3 Å²	81.3	53%	0.534	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-43.2	178.5	-174.3	64	0	0	0	111.4	E117 L118 H119 K124 T125	E117-L121 WeakPolarHBondContact O-CB 3.42Å; E117-L121 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 3.37Å; H119-L121 VanDerWaalsContact C-N 3.32Å; H119-L121 PolarHBondContact O-N 2.99Å; L121-K124 PolarHBondContact O-N 3.38Å; L121-T125 PolarHBondContact O-N 2.89Å; L121-T125 PolarHBondContact O-OG1 3.45Å; L121-T125 VanDerWaalsContact O-OG1 3.12Å
122	R	86.6	Confident	84.7	Confident	102 Å²	102	84.2 Å²	84.2	39%	0.385	42%	0.423	S	S	.	.	H	α-helix	trans	-58.3	-48.8	174.3	-76.2	169.5	168.9	155.2	-7.3	111.7	S85 M86 L118 H119 K124 T125 Q126	S85-R122 PolarHBondContact O-NH1 3.28Å; S85-R122 VanDerWaalsContact O-NH1 3.09Å; M86-R122 PolarHBondContact O-NH2 2.91Å; L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 VanDerWaalsContact O-CG 3.31Å; L118-R122 WeakPolarHBondContact O-CG 3.4Å; L118-R122 PolarHBondContact O-N 3.45Å; H119-R122 PolarHBondContact O-N 3.42Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 2.88Å; R122-T125 PolarHBondContact O-N 3.33Å; R122-Q126 PolarHBondContact O-N 2.75Å
123	L	88.6	Confident	84.1	Confident	73 Å²	73	90 Å²	90	38%	0.382	44%	0.443	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.6	-70.2	176.3	0	0	0	112	H119 K120 Q126 N127	H119-L123 WeakPolarHBondContact O-CG 3.42Å; H119-L123 PolarHBondContact O-N 2.89Å; K120-L123 PolarHBondContact O-N 3.36Å; L123-Q126 PolarHBondContact O-N 2.94Å; L123-N127 WeakPolarHBondContact O-CB 3.27Å; L123-N127 VanDerWaalsContact O-CG 3.24Å; L123-N127 PolarHBondContact O-N 3.12Å; L123-N127 PolarHBondContact O-ND2 3.49Å
124	K	85.5	Confident	83.8	Confident	133 Å²	133	91.6 Å²	91.6	58%	0.578	45%	0.448	S	S	*	.	H	α-helix	trans	-62.8	-45.7	176.7	-174.6	175.7	-179.3	179.4	0	111.7	K120 L121 R122 Q126 N127 L128	K120-K124 WeakPolarHBondContact O-CB 3.12Å; K120-K124 PolarHBondContact O-N 2.92Å; L121-K124 PolarHBondContact O-N 3.38Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 2.88Å; K124-Q126 VanDerWaalsContact C-N 3.34Å; K124-Q126 PolarHBondContact O-N 2.78Å; K124-N127 PolarHBondContact O-N 3.31Å; K124-L128 HydrophobicContact CG-CD1 4.14Å; K124-L128 HydrophobicContact CG-CG 4.49Å; K124-L128 WeakPolarHBondContact O-CB 3.42Å; K124-L128 VanDerWaalsContact O-CG 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.31Å; K124-L128 PolarHBondContact O-N 2.95Å
125	T	83.5	Confident	83.5	Confident	76 Å²	76	90.7 Å²	90.7	47%	0.466	44%	0.443	S	S	.	.	H	α-helix	trans	-61.8	-43	176.6	-59.2	0	0	0	0	111	L121 R122 L128 T129	L121-T125 PolarHBondContact O-N 2.89Å; L121-T125 PolarHBondContact O-OG1 3.45Å; L121-T125 VanDerWaalsContact O-OG1 3.12Å; R122-T125 PolarHBondContact O-N 3.33Å; T125-L128 PolarHBondContact O-N 3.01Å; T125-T129 PolarHBondContact O-N 2.9Å; T125-T129 PolarHBondContact O-OG1 3.31Å
126	Q	84.2	Confident	83.1	Confident	111 Å²	111	94.8 Å²	94.8	52%	0.519	47%	0.465	S	S	.	.	H	α-helix	trans	-61.5	-45.7	176.2	-173.3	-179.8	32.4	0	0	112.1	R122 L123 K124 T129 N130	R122-Q126 PolarHBondContact O-N 2.75Å; L123-Q126 PolarHBondContact O-N 2.94Å; K124-Q126 VanDerWaalsContact C-N 3.34Å; K124-Q126 PolarHBondContact O-N 2.78Å; Q126-T129 PolarHBondContact O-N 3.32Å; Q126-N130 WeakPolarHBondContact O-CB 3.28Å; Q126-N130 PolarHBondContact O-N 2.89Å
127	N	86.4	Confident	82.6	Confident	86 Å²	86	92.3 Å²	92.3	46%	0.46	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-44.1	176.5	-71.4	-16.2	0	0	0	111.2	L123 K124 T129 N130 E131	L123-N127 WeakPolarHBondContact O-CB 3.27Å; L123-N127 VanDerWaalsContact O-CG 3.24Å; L123-N127 PolarHBondContact O-N 3.12Å; L123-N127 PolarHBondContact O-ND2 3.49Å; K124-N127 PolarHBondContact O-N 3.31Å; N127-T129 PolarHBondContact O-N 3.48Å; N127-N130 PolarHBondContact O-N 3.35Å; N127-E131 VanDerWaalsContact O-CB 3.29Å; N127-E131 WeakPolarHBondContact O-CB 3.44Å; N127-E131 VanDerWaalsContact O-CG 3.27Å; N127-E131 WeakPolarHBondContact O-CG 3.29Å; N127-E131 PolarHBondContact O-N 3.31Å
128	L	83.6	Confident	82.3	Confident	78 Å²	78	92 Å²	92	41%	0.408	46%	0.46	S	S	.	.	H	α-helix	trans	-62.7	-41.5	175.9	-72.5	171.5	0	0	0	112.2	K124 T125 N132	K124-L128 HydrophobicContact CG-CD1 4.14Å; K124-L128 HydrophobicContact CG-CG 4.49Å; K124-L128 WeakPolarHBondContact O-CB 3.42Å; K124-L128 VanDerWaalsContact O-CG 3.28Å; K124-L128 WeakPolarHBondContact O-CG 3.31Å; K124-L128 PolarHBondContact O-N 2.95Å; T125-L128 PolarHBondContact O-N 3.01Å; L128-N132 WeakPolarHBondContact O-CB 3.29Å; L128-N132 PolarHBondContact O-N 2.9Å; L128-N132 PolarHBondContact O-ND2 2.86Å
129	T	80.8	Confident	82	Confident	83 Å²	83	94.8 Å²	94.8	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-63.5	-44.7	175.7	-59.5	0	0	0	0	111.1	T125 Q126 N127 N132 Y133	T125-T129 PolarHBondContact O-N 2.9Å; T125-T129 PolarHBondContact O-OG1 3.31Å; Q126-T129 PolarHBondContact O-N 3.32Å; N127-T129 PolarHBondContact O-N 3.48Å; T129-N132 PolarHBondContact O-N 2.8Å; T129-Y133 VanDerWaalsContact O-CB 3.29Å; T129-Y133 WeakPolarHBondContact O-CB 3.45Å; T129-Y133 PolarHBondContact O-N 2.91Å
130	N	80.8	Confident	81.8	Confident	82 Å²	82	95 Å²	95	44%	0.439	48%	0.476	S	S	.	.	H	α-helix	trans	-67.4	-42	178.3	-73.4	-15.4	0	0	0	112.4	Q126 N127 Y133 N134	Q126-N130 WeakPolarHBondContact O-CB 3.28Å; Q126-N130 PolarHBondContact O-N 2.89Å; N127-N130 PolarHBondContact O-N 3.35Å; N130-Y133 PolarHBondContact O-N 3.45Å; N130-N134 WeakPolarHBondContact O-CB 3.13Å; N130-N134 VanDerWaalsContact O-CG 3.29Å; N130-N134 PolarHBondContact O-N 2.86Å; N130-N134 PolarHBondContact O-ND2 3.48Å
131	E	81.5	Confident	81.2	Confident	109 Å²	109	95.9 Å²	95.9	51%	0.509	48%	0.48	S	S	.	.	H	α-helix	trans	-62.8	-47.7	174.5	-77.3	176.3	-173.9	0	0	110.7	N127 Y133 N134 I135	N127-E131 VanDerWaalsContact O-CB 3.29Å; N127-E131 WeakPolarHBondContact O-CB 3.44Å; N127-E131 VanDerWaalsContact O-CG 3.27Å; N127-E131 WeakPolarHBondContact O-CG 3.29Å; N127-E131 PolarHBondContact O-N 3.31Å; E131-Y133 VanDerWaalsContact C-N 3.34Å; E131-Y133 PolarHBondContact O-N 3.44Å; E131-N134 PolarHBondContact O-N 2.86Å; E131-I135 HydrophobicContact CB-CD1 4.48Å; E131-I135 WeakPolarHBondContact O-CB 3.17Å; E131-I135 WeakPolarHBondContact O-CD1 3.38Å; E131-I135 WeakPolarHBondContact O-CG1 3.26Å; E131-I135 PolarHBondContact O-N 2.85Å
132	N	78.8	Confident	81	Confident	87 Å²	87	96.8 Å²	96.8	47%	0.465	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-42	176.7	-75.8	-34.7	0	0	0	111.8	L128 T129 N136	L128-N132 WeakPolarHBondContact O-CB 3.29Å; L128-N132 PolarHBondContact O-N 2.9Å; L128-N132 PolarHBondContact O-ND2 2.86Å; T129-N132 PolarHBondContact O-N 2.8Å; N132-N136 WeakPolarHBondContact O-CB 3.17Å; N132-N136 PolarHBondContact O-N 3.45Å; N132-N136 PolarHBondContact O-ND2 3.37Å
133	Y	72.3	Confident	80.7	Confident	144 Å²	144	97.2 Å²	97.2	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-61.4	-51.4	175.9	-176.5	-99.8	0	0	0	111.2	T129 N130 E131 I135 N136 D137	T129-Y133 VanDerWaalsContact O-CB 3.29Å; T129-Y133 WeakPolarHBondContact O-CB 3.45Å; T129-Y133 PolarHBondContact O-N 2.91Å; N130-Y133 PolarHBondContact O-N 3.45Å; E131-Y133 VanDerWaalsContact C-N 3.34Å; E131-Y133 PolarHBondContact O-N 3.44Å; Y133-I135 PolarHBondContact O-N 3Å; Y133-N136 PolarHBondContact O-N 3.27Å; Y133-D137 WeakPolarHBondContact CE1-OD2 3.11Å; Y133-D137 VanDerWaalsContact O-CB 3.29Å; Y133-D137 WeakPolarHBondContact O-CB 3.23Å; Y133-D137 PolarHBondContact O-N 2.92Å; Y133-D137 PolarHBondContact OH-OD2 3.34Å
134	N	77.7	Confident	80.3	Confident	100 Å²	100	97.8 Å²	97.8	54%	0.535	49%	0.491	S	S	.	.	H	α-helix	trans	-63.3	-42.3	178.8	-73.1	-24.6	0	0	0	112.5	N130 E131 V138	N130-N134 WeakPolarHBondContact O-CB 3.13Å; N130-N134 VanDerWaalsContact O-CG 3.29Å; N130-N134 PolarHBondContact O-N 2.86Å; N130-N134 PolarHBondContact O-ND2 3.48Å; E131-N134 PolarHBondContact O-N 2.86Å; N134-V138 VanDerWaalsContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CG2 3.29Å; N134-V138 PolarHBondContact O-N 3.2Å
135	I	78.5	Confident	79.8	Confident	76 Å²	76	97.7 Å²	97.7	39%	0.39	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-45.9	178.1	-71.7	167.4	0	0	0	110	E131 Y133 K139	E131-I135 HydrophobicContact CB-CD1 4.48Å; E131-I135 WeakPolarHBondContact O-CB 3.17Å; E131-I135 WeakPolarHBondContact O-CD1 3.38Å; E131-I135 WeakPolarHBondContact O-CG1 3.26Å; E131-I135 PolarHBondContact O-N 2.85Å; Y133-I135 PolarHBondContact O-N 3Å; I135-K139 HydrophobicContact CG2-CD 3.68Å; I135-K139 HydrophobicContact CG2-CG 4.31Å; I135-K139 WeakPolarHBondContact O-CB 3.13Å; I135-K139 WeakPolarHBondContact O-CG 3.41Å; I135-K139 PolarHBondContact O-N 2.77Å
136	N	76.3	Confident	79.6	Confident	89 Å²	89	97.9 Å²	97.9	48%	0.476	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-44	179.2	-71.9	-20.9	0	0	0	111	N132 Y133 K139 V140	N132-N136 WeakPolarHBondContact O-CB 3.17Å; N132-N136 PolarHBondContact O-N 3.45Å; N132-N136 PolarHBondContact O-ND2 3.37Å; Y133-N136 PolarHBondContact O-N 3.27Å; N136-K139 PolarHBondContact O-N 3.37Å; N136-V140 VanDerWaalsContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CG2 3.17Å; N136-V140 PolarHBondContact O-N 2.88Å
137	D	76	Confident	79.4	Confident	53 Å²	53	96.2 Å²	96.2	28%	0.283	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-45.9	177.7	-86.1	2.9	0	0	0	112.2	Y133 K141	Y133-D137 WeakPolarHBondContact CE1-OD2 3.11Å; Y133-D137 VanDerWaalsContact O-CB 3.29Å; Y133-D137 WeakPolarHBondContact O-CB 3.23Å; Y133-D137 PolarHBondContact O-N 2.92Å; Y133-D137 PolarHBondContact OH-OD2 3.34Å; D137-K141 VanDerWaalsContact O-CB 3.26Å; D137-K141 WeakPolarHBondContact O-CB 3.16Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.37Å; D137-K141 PolarHBondContact O-N 3.46Å
138	V	79.8	Confident	78.9	Confident	98 Å²	98	100.4 Å²	100.4	59%	0.594	49%	0.492	S	S	*	.	H	α-helix	trans	-66.6	-41.9	177.8	172.5	0	0	0	0	110.6	N134 K142	N134-V138 VanDerWaalsContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CB 3.26Å; N134-V138 WeakPolarHBondContact O-CG2 3.29Å; N134-V138 PolarHBondContact O-N 3.2Å; V138-K142 WeakPolarHBondContact O-CB 3.19Å; V138-K142 PolarHBondContact O-N 3.44Å
139	K	79.7	Confident	78.3	Confident	123 Å²	123	101.7 Å²	101.7	54%	0.535	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-47.8	176	-78.2	174.6	178.7	172.4	0	111.5	I135 N136 K142 I143	I135-K139 HydrophobicContact CG2-CD 3.68Å; I135-K139 HydrophobicContact CG2-CG 4.31Å; I135-K139 WeakPolarHBondContact O-CB 3.13Å; I135-K139 WeakPolarHBondContact O-CG 3.41Å; I135-K139 PolarHBondContact O-N 2.77Å; N136-K139 PolarHBondContact O-N 3.37Å; K139-K142 PolarHBondContact O-N 2.84Å; K139-I143 WeakPolarHBondContact O-CB 3.22Å; K139-I143 WeakPolarHBondContact O-CD1 3.39Å; K139-I143 WeakPolarHBondContact O-CG1 3.16Å; K139-I143 PolarHBondContact O-N 2.87Å
140	V	81.3	Confident	78.3	Confident	78 Å²	78	103.3 Å²	103.3	47%	0.473	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-46.4	-179.6	169.2	0	0	0	0	110.3	N136 K142 I143 I144	N136-V140 VanDerWaalsContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CB 3.22Å; N136-V140 WeakPolarHBondContact O-CG2 3.17Å; N136-V140 PolarHBondContact O-N 2.88Å; V140-K142 PolarHBondContact O-N 3.25Å; V140-I143 PolarHBondContact O-N 2.82Å; V140-I144 HydrophobicContact CG1-CD1 3.74Å; V140-I144 HydrophobicContact CG1-CG1 4.49Å; V140-I144 VanDerWaalsContact O-CG1 3.24Å; V140-I144 WeakPolarHBondContact O-CG1 3.13Å; V140-I144 PolarHBondContact O-N 3.34Å
141	K	76	Confident	77.8	Confident	130 Å²	130	100.1 Å²	100.1	57%	0.565	48%	0.476	S	S	*	.	H	α-helix	trans	-58.3	-47.9	174.9	-76.5	175	-177.5	173.9	0	111.5	D137 I143 I144 E145	D137-K141 VanDerWaalsContact O-CB 3.26Å; D137-K141 WeakPolarHBondContact O-CB 3.16Å; D137-K141 VanDerWaalsContact O-CG 3.23Å; D137-K141 WeakPolarHBondContact O-CG 3.37Å; D137-K141 PolarHBondContact O-N 3.46Å; K141-I143 PolarHBondContact O-N 2.82Å; K141-I144 PolarHBondContact O-N 3.27Å; K141-E145 WeakPolarHBondContact O-CB 3.5Å; K141-E145 WeakPolarHBondContact O-CG 3.27Å; K141-E145 PolarHBondContact O-N 3.48Å
142	K	83.4	Confident	77.3	Confident	122 Å²	122	97.6 Å²	97.6	53%	0.53	47%	0.473	S	S	.	.	H	α-helix	trans	-61.8	-43.9	178.2	-175.8	174.9	179.6	-179.4	0	112.3	V138 K139 V140 I144 E145 D146	V138-K142 WeakPolarHBondContact O-CB 3.19Å; V138-K142 PolarHBondContact O-N 3.44Å; K139-K142 PolarHBondContact O-N 2.84Å; V140-K142 PolarHBondContact O-N 3.25Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 2.88Å; K142-E145 PolarHBondContact O-N 2.94Å; K142-D146 VanDerWaalsContact O-CB 3.29Å; K142-D146 WeakPolarHBondContact O-CB 3.29Å; K142-D146 VanDerWaalsContact O-CG 3.27Å; K142-D146 PolarHBondContact O-N 3.38Å
143	I	80.8	Confident	77.1	Confident	110 Å²	110	99.5 Å²	99.5	56%	0.564	47%	0.474	S	S	*	.	H	α-helix	trans	-60.6	-42.8	176.4	-70.9	162.9	0	0	0	110.5	K139 V140 K141 E147	K139-I143 WeakPolarHBondContact O-CB 3.22Å; K139-I143 WeakPolarHBondContact O-CD1 3.39Å; K139-I143 WeakPolarHBondContact O-CG1 3.16Å; K139-I143 PolarHBondContact O-N 2.87Å; V140-I143 PolarHBondContact O-N 2.82Å; K141-I143 PolarHBondContact O-N 2.82Å; I143-E147 WeakPolarHBondContact O-CB 3.41Å; I143-E147 PolarHBondContact O-N 2.85Å
144	I	78.8	Confident	77.3	Confident	86 Å²	86	96 Å²	96	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-65.7	-41.3	177.4	-68	166.5	0	0	0	111.2	V140 K141 K142 R148	V140-I144 HydrophobicContact CG1-CD1 3.74Å; V140-I144 HydrophobicContact CG1-CG1 4.49Å; V140-I144 VanDerWaalsContact O-CG1 3.24Å; V140-I144 WeakPolarHBondContact O-CG1 3.13Å; V140-I144 PolarHBondContact O-N 3.34Å; K141-I144 PolarHBondContact O-N 3.27Å; K142-I144 VanDerWaalsContact C-N 3.31Å; K142-I144 PolarHBondContact O-N 2.88Å; I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 VanDerWaalsContact O-CG 3.29Å; I144-R148 WeakPolarHBondContact O-CG 3.48Å; I144-R148 PolarHBondContact O-N 3.23Å
145	E	75.3	Confident	77.1	Confident	131 Å²	131	92.9 Å²	92.9	61%	0.612	45%	0.446	S	S	*	.	H	α-helix	trans	-66.8	-48	177.3	-74.9	173.6	178.3	0	0	112	K141 K142 E147 R148 Q149	K141-E145 WeakPolarHBondContact O-CB 3.5Å; K141-E145 WeakPolarHBondContact O-CG 3.27Å; K141-E145 PolarHBondContact O-N 3.48Å; K142-E145 PolarHBondContact O-N 2.94Å; E145-E147 VanDerWaalsContact C-N 3.31Å; E145-E147 PolarHBondContact O-N 3.33Å; E145-R148 PolarHBondContact O-N 2.92Å; E145-Q149 WeakPolarHBondContact O-CB 3.24Å; E145-Q149 PolarHBondContact O-N 2.82Å
146	D	80.3	Confident	76.8	Confident	79 Å²	79	94.8 Å²	94.8	42%	0.422	45%	0.453	S	S	.	.	H	α-helix	trans	-60.1	-42.8	177.2	-74.3	-19.1	0	0	0	110.4	K142 Q149 R150	K142-D146 VanDerWaalsContact O-CB 3.29Å; K142-D146 WeakPolarHBondContact O-CB 3.29Å; K142-D146 VanDerWaalsContact O-CG 3.27Å; K142-D146 PolarHBondContact O-N 3.38Å; D146-Q149 PolarHBondContact O-N 2.8Å; D146-R150 VanDerWaalsContact O-CB 3.27Å; D146-R150 WeakPolarHBondContact O-CB 3.19Å; D146-R150 PolarHBondContact O-N 3.43Å
147	E	78.8	Confident	76.7	Confident	77 Å²	77	94.4 Å²	94.4	36%	0.36	45%	0.451	S	S	.	.	H	α-helix	trans	-69.4	-41.3	177.2	-172.9	61.7	-171.6	0	0	111.6	I143 E145 Q149 R150 L151	I143-E147 WeakPolarHBondContact O-CB 3.41Å; I143-E147 PolarHBondContact O-N 2.85Å; E145-E147 VanDerWaalsContact C-N 3.31Å; E145-E147 PolarHBondContact O-N 3.33Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.98Å; E147-R150 PolarHBondContact O-N 3.47Å; E147-R150 IonicContact OE1-NH1 2.56Å; E147-R150 PolarHBondContact OE1-NH1 2.88Å; E147-R150 IonicContact OE2-NH1 3.94Å; E147-R150 PolarHBondContact OE2-NH1 2.87Å; E147-R150 VanDerWaalsContact OE2-NH1 3.13Å; E147-L151 HydrophobicContact CG-CD1 3.81Å; E147-L151 HydrophobicContact CG-CG 4.35Å; E147-L151 VanDerWaalsContact O-CB 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 WeakPolarHBondContact O-CD1 3.33Å; E147-L151 WeakPolarHBondContact O-CG 3.29Å; E147-L151 PolarHBondContact O-N 3.41Å
148	R	76.4	Confident	76.6	Confident	173 Å²	173	92.3 Å²	92.3	65%	0.653	44%	0.441	S	S	*	.	H	α-helix	trans	-59.8	-41.8	172.1	-82.1	179.7	175.4	-167.2	0.6	111.9	I144 E145 A152	I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 VanDerWaalsContact O-CG 3.29Å; I144-R148 WeakPolarHBondContact O-CG 3.48Å; I144-R148 PolarHBondContact O-N 3.23Å; E145-R148 PolarHBondContact O-N 2.92Å; R148-A152 VanDerWaalsContact O-CB 3.24Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.19Å
149	Q	71.2	Confident	76.2	Confident	106 Å²	106	88.9 Å²	88.9	50%	0.495	42%	0.42	S	S	.	.	H	α-helix	trans	-71.2	-39.8	179.8	-165.4	-178.9	13	0	0	111.5	E145 D146 E147 A152 R153	E145-Q149 WeakPolarHBondContact O-CB 3.24Å; E145-Q149 PolarHBondContact O-N 2.82Å; D146-Q149 PolarHBondContact O-N 2.8Å; E147-Q149 VanDerWaalsContact C-N 3.31Å; E147-Q149 PolarHBondContact O-N 2.98Å; Q149-A152 PolarHBondContact O-N 3.29Å; Q149-R153 WeakPolarHBondContact O-CG 2.92Å; Q149-R153 PolarHBondContact O-N 3.13Å
150	R	79.8	Confident	75.6	Confident	116 Å²	116	85.3 Å²	85.3	44%	0.438	41%	0.41	S	S	.	.	H	α-helix	trans	-59.6	-49.7	171.8	179	-179.6	160.4	-123.6	-9.9	110.9	D146 E147 A152 R153 E154	D146-R150 VanDerWaalsContact O-CB 3.27Å; D146-R150 WeakPolarHBondContact O-CB 3.19Å; D146-R150 PolarHBondContact O-N 3.43Å; E147-R150 PolarHBondContact O-N 3.47Å; E147-R150 IonicContact OE1-NH1 2.56Å; E147-R150 PolarHBondContact OE1-NH1 2.88Å; E147-R150 IonicContact OE2-NH1 3.94Å; E147-R150 PolarHBondContact OE2-NH1 2.87Å; E147-R150 VanDerWaalsContact OE2-NH1 3.13Å; R150-A152 PolarHBondContact O-N 2.82Å; R150-R153 WeakPolarHBondContact O-CB 3.17Å; R150-R153 PolarHBondContact O-N 2.95Å; R150-E154 IonicContact CZ-OE1 3.11Å; R150-E154 VanDerWaalsContact CZ-OE1 3.26Å; R150-E154 IonicContact NE-OE1 3.29Å; R150-E154 PolarHBondContact NE-OE1 2.83Å; R150-E154 IonicContact NH2-OE1 3.92Å; R150-E154 PolarHBondContact NH2-OE1 3.37Å; R150-E154 IonicContact NH2-OE2 2.75Å; R150-E154 PolarHBondContact O-N 3.48Å
151	L	71.6	Confident	75.2	Confident	16 Å²	16	88.1 Å²	88.1	8%	0.084	42%	0.418	C	S	.	.	H	α-helix	trans	-65.5	-37.5	179	-68.4	167.2	0	0	0	112.3	E147 R153 E154 L155 L207	E147-L151 HydrophobicContact CG-CD1 3.81Å; E147-L151 HydrophobicContact CG-CG 4.35Å; E147-L151 VanDerWaalsContact O-CB 3.31Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 WeakPolarHBondContact O-CD1 3.33Å; E147-L151 WeakPolarHBondContact O-CG 3.29Å; E147-L151 PolarHBondContact O-N 3.41Å; L151-R153 VanDerWaalsContact C-N 3.33Å; L151-E154 PolarHBondContact O-N 3.06Å; L151-L155 VanDerWaalsContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 WeakPolarHBondContact O-CG 3.15Å; L151-L155 PolarHBondContact O-N 2.85Å; L151-L207 HydrophobicContact CB-CD1 4.29Å; L151-L207 HydrophobicContact CB-CD2 3.57Å; L151-L207 HydrophobicContact CB-CG 3.98Å; L151-L207 HydrophobicContact CD1-CD2 3.36Å; L151-L207 HydrophobicContact CD1-CG 3.84Å; L151-L207 HydrophobicContact CD2-CG 4.31Å; L151-L207 HydrophobicContact CG-CD2 4Å; L151-L207 HydrophobicContact CG-CG 4.26Å
152	A	70.7	Confident	75	Confident	56 Å²	56	83 Å²	83	46%	0.463	40%	0.396	S	S	.	.	H	α-helix	trans	-63.4	-38.6	173.5	0	0	0	0	0	112	R148 Q149 R150 H156	R148-A152 VanDerWaalsContact O-CB 3.24Å; R148-A152 WeakPolarHBondContact O-CB 3.48Å; R148-A152 PolarHBondContact O-N 3.19Å; Q149-A152 PolarHBondContact O-N 3.29Å; R150-A152 PolarHBondContact O-N 2.82Å; A152-H156 WeakPolarHBondContact O-CB 3.14Å; A152-H156 PolarHBondContact O-N 3.14Å
153	R	74.4	Confident	74.5	Confident	127 Å²	127	82.7 Å²	82.7	48%	0.479	40%	0.4	S	S	.	.	H	α-helix	trans	-66.8	-49.3	173.1	-77	-176.7	-69.9	-126.1	-4.3	111.9	Q149 R150 L151 L155 H156 D157	Q149-R153 WeakPolarHBondContact O-CG 2.92Å; Q149-R153 PolarHBondContact O-N 3.13Å; R150-R153 WeakPolarHBondContact O-CB 3.17Å; R150-R153 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.33Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.43Å; R153-H156 PolarHBondContact O-N 2.86Å; R153-H156 VanDerWaalsContact O-N 3.14Å; R153-D157 WeakPolarHBondContact O-CB 3.31Å; R153-D157 VanDerWaalsContact O-CG 3.28Å; R153-D157 PolarHBondContact O-N 3.38Å
154	E	76.3	Confident	74.1	Confident	69 Å²	69	83.6 Å²	83.6	32%	0.322	40%	0.4	S	S	.	.	H	α-helix	trans	-59	-42.9	178	-73.7	-179.9	-170.6	0	0	111.4	R150 L151 S158 L203	R150-E154 IonicContact CZ-OE1 3.11Å; R150-E154 VanDerWaalsContact CZ-OE1 3.26Å; R150-E154 IonicContact NE-OE1 3.29Å; R150-E154 PolarHBondContact NE-OE1 2.83Å; R150-E154 IonicContact NH2-OE1 3.92Å; R150-E154 PolarHBondContact NH2-OE1 3.37Å; R150-E154 IonicContact NH2-OE2 2.75Å; R150-E154 PolarHBondContact O-N 3.48Å; L151-E154 PolarHBondContact O-N 3.06Å; E154-S158 WeakPolarHBondContact O-CB 2.96Å; E154-S158 PolarHBondContact O-N 2.67Å; E154-L203 HydrophobicContact CB-CD2 4.37Å
155	L	73.6	Confident	73.9	Confident	36 Å²	36	81 Å²	81	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-61.9	-50.5	171.6	-84.2	177.7	0	0	0	112.1	L151 R153 D157 V159 M200 L203 L204 L207	L151-L155 VanDerWaalsContact O-CB 3.32Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 WeakPolarHBondContact O-CG 3.15Å; L151-L155 PolarHBondContact O-N 2.85Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 3.43Å; L155-D157 VanDerWaalsContact C-N 3.33Å; L155-D157 PolarHBondContact O-N 2.87Å; L155-V159 WeakPolarHBondContact O-CB 3.01Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 2.82Å; L155-M200 HydrophobicContact CD2-CG 4.29Å; L155-L203 HydrophobicContact CD2-CB 3.6Å; L155-L203 HydrophobicContact CD2-CD1 3.96Å; L155-L203 HydrophobicContact CD2-CG 4.38Å; L155-L203 HydrophobicContact CG-CB 4.35Å; L155-L204 HydrophobicContact CD1-CD2 4.48Å; L155-L207 HydrophobicContact CD1-CD1 3.21Å; L155-L207 HydrophobicContact CD2-CD1 4.48Å; L155-L207 HydrophobicContact CG-CD1 3.89Å
156	H	72.2	Confident	73.8	Confident	116 Å²	116	75.1 Å²	75.1	54%	0.537	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-45.8	-178.3	175.5	-83.8	0	0	0	111.2	A152 R153 S160	A152-H156 WeakPolarHBondContact O-CB 3.14Å; A152-H156 PolarHBondContact O-N 3.14Å; R153-H156 PolarHBondContact O-N 2.86Å; R153-H156 VanDerWaalsContact O-N 3.14Å; H156-S160 WeakPolarHBondContact O-CA 3.32Å; H156-S160 WeakPolarHBondContact O-CB 3.18Å; H156-S160 PolarHBondContact O-N 2.93Å; H156-S160 PolarHBondContact O-OG 3.31Å
157	D	73.8	Confident	73.2	Confident	80 Å²	80	73.8 Å²	73.8	43%	0.428	36%	0.362	S	S	.	.	H	α-helix	trans	-70.8	-46.3	-176.4	-66.5	-15.6	0	0	0	111.2	R153 L155 Q161	R153-D157 WeakPolarHBondContact O-CB 3.31Å; R153-D157 VanDerWaalsContact O-CG 3.28Å; R153-D157 PolarHBondContact O-N 3.38Å; L155-D157 VanDerWaalsContact C-N 3.33Å; L155-D157 PolarHBondContact O-N 2.87Å; D157-Q161 VanDerWaalsContact O-CB 3.27Å; D157-Q161 WeakPolarHBondContact O-CB 3.21Å; D157-Q161 WeakPolarHBondContact O-CG 3.47Å; D157-Q161 PolarHBondContact O-N 2.76Å
158	S	73.6	Confident	72.9	Confident	10 Å²	10	75 Å²	75	7%	0.07	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-52.8	176.5	178.2	0	0	0	0	111.1	E154 Q162 E199	E154-S158 WeakPolarHBondContact O-CB 2.96Å; E154-S158 PolarHBondContact O-N 2.67Å; S158-Q162 VanDerWaalsContact O-CB 3.29Å; S158-Q162 WeakPolarHBondContact O-CB 3.14Å; S158-Q162 VanDerWaalsContact O-CD 3.22Å; S158-Q162 WeakPolarHBondContact O-CG 3.3Å; S158-Q162 PolarHBondContact O-N 3.09Å; S158-Q162 PolarHBondContact O-OE1 3.37Å; S158-E199 PolarHBondContact OG-OE1 3.01Å
159	V	71.7	Confident	72.8	Confident	26 Å²	26	68.9 Å²	68.9	16%	0.158	35%	0.349	C	S	.	.	H	α-helix	trans	-68.6	-40.5	-177.2	176.8	0	0	0	0	111.8	L155 Q162 L163 M200	L155-V159 WeakPolarHBondContact O-CB 3.01Å; L155-V159 WeakPolarHBondContact O-CG2 3.48Å; L155-V159 PolarHBondContact O-N 2.82Å; V159-Q162 PolarHBondContact O-N 3.03Å; V159-L163 HydrophobicContact CG1-CD1 3.69Å; V159-L163 HydrophobicContact CG1-CG 4.13Å; V159-L163 WeakPolarHBondContact O-CB 3.38Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 3.42Å; V159-M200 HydrophobicContact CB-CE 4.18Å; V159-M200 HydrophobicContact CG1-CE 3.66Å; V159-M200 HydrophobicContact CG2-CB 4.28Å; V159-M200 HydrophobicContact CG2-CE 3.39Å; V159-M200 HydrophobicContact CG2-CG 3.98Å; V159-M200 HydrophobicContact CG2-SD 4.44Å
160	S	67.8	Low	72.9	Confident	48 Å²	48	68.4 Å²	68.4	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-70.1	-42	-178.8	-60.2	0	0	0	0	112.1	H156 Q162 F164	H156-S160 WeakPolarHBondContact O-CA 3.32Å; H156-S160 WeakPolarHBondContact O-CB 3.18Å; H156-S160 PolarHBondContact O-N 2.93Å; H156-S160 PolarHBondContact O-OG 3.31Å; S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 3.45Å; S160-F164 WeakPolarHBondContact O-CB 3.3Å; S160-F164 PolarHBondContact O-N 3.48Å
161	Q	73.7	Confident	72.5	Confident	137 Å²	137	65.9 Å²	65.9	64%	0.64	35%	0.349	S	S	*	.	H	α-helix	trans	-61.2	-41.3	176.5	-73.2	174.7	21.3	0	0	111.1	D157 A165	D157-Q161 VanDerWaalsContact O-CB 3.27Å; D157-Q161 WeakPolarHBondContact O-CB 3.21Å; D157-Q161 WeakPolarHBondContact O-CG 3.47Å; D157-Q161 PolarHBondContact O-N 2.76Å; Q161-A165 WeakPolarHBondContact O-CB 3.4Å; Q161-A165 PolarHBondContact O-N 2.88Å
162	Q	71.7	Confident	72.5	Confident	22 Å²	22	67.4 Å²	67.4	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-67.9	-49.4	178.5	-77.8	170.4	-4.1	0	0	113.2	S158 V159 S160 F164 A165 A166 S196 E199	S158-Q162 VanDerWaalsContact O-CB 3.29Å; S158-Q162 WeakPolarHBondContact O-CB 3.14Å; S158-Q162 VanDerWaalsContact O-CD 3.22Å; S158-Q162 WeakPolarHBondContact O-CG 3.3Å; S158-Q162 PolarHBondContact O-N 3.09Å; S158-Q162 PolarHBondContact O-OE1 3.37Å; V159-Q162 PolarHBondContact O-N 3.03Å; S160-Q162 VanDerWaalsContact C-N 3.27Å; S160-Q162 PolarHBondContact O-N 3.45Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.46Å; Q162-A165 PolarHBondContact O-N 3.38Å; Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 2.86Å; Q162-S196 WeakPolarHBondContact CB-OG 3.27Å; Q162-S196 VanDerWaalsContact CD-OG 3.22Å; Q162-S196 WeakPolarHBondContact CG-OG 3.39Å; Q162-S196 PolarHBondContact OE1-O 3.5Å; Q162-S196 PolarHBondContact OE1-OG 3.26Å; Q162-E199 VanDerWaalsContact NE2-CD 3.35Å; Q162-E199 PolarHBondContact NE2-OE2 2.97Å
163	L	72.1	Confident	72.5	Confident	115 Å²	115	65.9 Å²	65.9	60%	0.602	35%	0.348	S	S	*	.	H	α-helix	trans	-63.6	-37	176	-72	177.6	0	0	0	111.7	V159 A166 S167	V159-L163 HydrophobicContact CG1-CD1 3.69Å; V159-L163 HydrophobicContact CG1-CG 4.13Å; V159-L163 WeakPolarHBondContact O-CB 3.38Å; V159-L163 VanDerWaalsContact O-CG 3.26Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 3.42Å; L163-A166 PolarHBondContact O-N 2.93Å; L163-S167 WeakPolarHBondContact O-CB 3.34Å; L163-S167 PolarHBondContact O-N 2.98Å; L163-S167 PolarHBondContact O-OG 3.27Å
164	F	72.4	Confident	72.2	Confident	129 Å²	129	68.2 Å²	68.2	57%	0.566	36%	0.361	S	S	*	.	H	α-helix	trans	-60.7	-50.5	174.6	176.3	-102.6	0	0	0	111	S160 Q162 A166 S167 M168	S160-F164 WeakPolarHBondContact O-CB 3.3Å; S160-F164 PolarHBondContact O-N 3.48Å; Q162-F164 VanDerWaalsContact C-N 3.3Å; Q162-F164 PolarHBondContact O-N 3.46Å; F164-A166 PolarHBondContact O-N 3.47Å; F164-S167 PolarHBondContact O-N 3.12Å; F164-S167 VanDerWaalsContact O-N 3.13Å; F164-S167 PolarHBondContact O-OG 2.97Å; F164-M168 HydrophobicContact CD1-CG 4.3Å; F164-M168 HydrophobicContact CE1-CG 3.82Å; F164-M168 HydrophobicContact CE2-CG 4.09Å; F164-M168 HydrophobicContact CE2-SD 4.37Å; F164-M168 HydrophobicContact CZ-CG 3.71Å; F164-M168 HydrophobicContact CZ-SD 4.06Å; F164-M168 WeakPolarHBondContact O-CG 3.34Å; F164-M168 PolarHBondContact O-N 3.34Å
165	A	75.3	Confident	71.9	Confident	31 Å²	31	72.4 Å²	72.4	26%	0.256	38%	0.381	S	S	.	.	H	α-helix	trans	-64.9	-38	178.7	0	0	0	0	0	112.8	Q161 Q162 S167 M168 M169 M192	Q161-A165 WeakPolarHBondContact O-CB 3.4Å; Q161-A165 PolarHBondContact O-N 2.88Å; Q162-A165 PolarHBondContact O-N 3.38Å; A165-S167 VanDerWaalsContact C-N 3.34Å; A165-S167 PolarHBondContact O-N 3.02Å; A165-M168 PolarHBondContact O-N 3.08Å; A165-M169 WeakPolarHBondContact O-CB 3.26Å; A165-M169 PolarHBondContact O-N 3.23Å; A165-M192 HydrophobicContact CB-CE 3.13Å; A165-M192 HydrophobicContact CB-SD 3.61Å
166	A	73.4	Confident	71.3	Confident	8 Å²	8	73.2 Å²	73.2	7%	0.066	39%	0.388	C	S	.	.	H	α-helix	trans	-60.3	-42.4	170.9	0	0	0	0	0	111.9	Q162 L163 F164 M169 L170 L189 V193	Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 2.86Å; L163-A166 PolarHBondContact O-N 2.93Å; F164-A166 PolarHBondContact O-N 3.47Å; A166-M169 PolarHBondContact O-N 3.47Å; A166-L170 WeakPolarHBondContact O-CB 3.45Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.29Å; A166-L189 HydrophobicContact CB-CD1 3.76Å; A166-L189 WeakPolarHBondContact O-CD1 3.11Å; A166-V193 HydrophobicContact CB-CG2 4.16Å
167	S	67.4	Low	70.8	Confident	52 Å²	52	76.8 Å²	76.8	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-67.5	-37.5	177.7	79	0	0	0	0	113.1	L163 F164 A165 S171	L163-S167 WeakPolarHBondContact O-CB 3.34Å; L163-S167 PolarHBondContact O-N 2.98Å; L163-S167 PolarHBondContact O-OG 3.27Å; F164-S167 PolarHBondContact O-N 3.12Å; F164-S167 VanDerWaalsContact O-N 3.13Å; F164-S167 PolarHBondContact O-OG 2.97Å; A165-S167 VanDerWaalsContact C-N 3.34Å; A165-S167 PolarHBondContact O-N 3.02Å; S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.39Å; S167-S171 PolarHBondContact O-OG 3.5Å
168	M	72.9	Confident	70.1	Confident	103 Å²	103	80.3 Å²	80.3	51%	0.507	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-43.7	175	-78.7	-61.5	-54.4	0	0	110.9	F164 A165 S171 A172	F164-M168 HydrophobicContact CD1-CG 4.3Å; F164-M168 HydrophobicContact CE1-CG 3.82Å; F164-M168 HydrophobicContact CE2-CG 4.09Å; F164-M168 HydrophobicContact CE2-SD 4.37Å; F164-M168 HydrophobicContact CZ-CG 3.71Å; F164-M168 HydrophobicContact CZ-SD 4.06Å; F164-M168 WeakPolarHBondContact O-CG 3.34Å; F164-M168 PolarHBondContact O-N 3.34Å; A165-M168 PolarHBondContact O-N 3.08Å; M168-S171 WeakPolarHBondContact O-CB 3.49Å; M168-S171 PolarHBondContact O-N 2.79Å; M168-A172 PolarHBondContact O-N 2.95Å
169	M	73.4	Confident	69.3	Low	44 Å²	44	87.5 Å²	87.5	22%	0.217	45%	0.452	C	S	.	.	H	α-helix	trans	-67.3	-41.1	177.6	-173.8	161.5	-155.9	0	0	112.1	A165 A166 S171 A172 I173 Q185 I188 L189	A165-M169 WeakPolarHBondContact O-CB 3.26Å; A165-M169 PolarHBondContact O-N 3.23Å; A166-M169 PolarHBondContact O-N 3.47Å; M169-S171 VanDerWaalsContact C-N 3.31Å; M169-S171 PolarHBondContact O-N 3.29Å; M169-A172 PolarHBondContact O-N 3.33Å; M169-I173 HydrophobicContact CG-CD1 4.25Å; M169-I173 WeakPolarHBondContact O-CD1 3.16Å; M169-I173 VanDerWaalsContact O-CG1 3.27Å; M169-I173 WeakPolarHBondContact O-CG1 3.26Å; M169-I173 PolarHBondContact O-N 2.69Å; M169-Q185 HydrophobicContact CE-CB 4.46Å; M169-Q185 WeakPolarHBondContact CE-O 3.29Å; M169-I188 HydrophobicContact CE-CB 3.53Å; M169-I188 HydrophobicContact CE-CD1 4.22Å; M169-I188 HydrophobicContact CE-CG1 4.47Å; M169-I188 HydrophobicContact CE-CG2 3.5Å; M169-I188 HydrophobicContact SD-CB 4.24Å; M169-I188 HydrophobicContact SD-CG2 3.86Å; M169-L189 HydrophobicContact CB-CD1 4.16Å; M169-L189 HydrophobicContact CG-CB 4.24Å; M169-L189 HydrophobicContact CG-CD1 4.37Å; M169-L189 HydrophobicContact SD-CB 3.93Å
170	L	73.4	Confident	68.7	Low	95 Å²	95	89.4 Å²	89.4	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-59	-40.7	170.4	-80.9	168.3	0	0	0	112.6	A166 I173 K174 L189	A166-L170 WeakPolarHBondContact O-CB 3.45Å; A166-L170 WeakPolarHBondContact O-CG 3.48Å; A166-L170 PolarHBondContact O-N 3.29Å; L170-I173 PolarHBondContact O-N 3.5Å; L170-K174 WeakPolarHBondContact O-CB 3.43Å; L170-K174 PolarHBondContact O-N 2.88Å; L170-L189 HydrophobicContact CD1-CD2 4.29Å; L170-L189 HydrophobicContact CD2-CD2 3.33Å; L170-L189 HydrophobicContact CG-CD1 4.31Å; L170-L189 HydrophobicContact CG-CD2 3.47Å; L170-L189 VanDerWaalsContact CG-CD2 3.47Å
171	S	70.7	Confident	68.5	Low	63 Å²	63	90.2 Å²	90.2	44%	0.441	47%	0.469	S	S	.	.	H	α-helix	trans	-66.5	-41.3	176.9	-58.6	0	0	0	0	111.3	S167 M168 M169 K174 E175	S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.39Å; S167-S171 PolarHBondContact O-OG 3.5Å; M168-S171 WeakPolarHBondContact O-CB 3.49Å; M168-S171 PolarHBondContact O-N 2.79Å; M169-S171 VanDerWaalsContact C-N 3.31Å; M169-S171 PolarHBondContact O-N 3.29Å; S171-K174 PolarHBondContact O-N 3.45Å; S171-E175 WeakPolarHBondContact O-CG 3.4Å; S171-E175 PolarHBondContact O-N 3.31Å
172	A	71.6	Confident	68.3	Low	49 Å²	49	88.2 Å²	88.2	41%	0.405	46%	0.462	S	S	.	.	H	α-helix	trans	-62.2	-42.7	174.4	0	0	0	0	0	112	M168 M169 K174 E175 T176	M168-A172 PolarHBondContact O-N 2.95Å; M169-A172 PolarHBondContact O-N 3.33Å; A172-K174 VanDerWaalsContact C-N 3.3Å; A172-K174 PolarHBondContact O-N 3.13Å; A172-E175 PolarHBondContact O-N 3.45Å; A172-T176 WeakPolarHBondContact O-CB 3.46Å; A172-T176 PolarHBondContact O-N 3.44Å; A172-T176 PolarHBondContact O-OG1 2.85Å
173	I	71.1	Confident	68.2	Low	24 Å²	24	93.4 Å²	93.4	12%	0.123	49%	0.491	C	S	.	.	H	α-helix	trans	-58.7	-41.8	173.4	-69.7	159.6	0	0	0	110.9	M169 L170 L182 Q185 L189	M169-I173 HydrophobicContact CG-CD1 4.25Å; M169-I173 WeakPolarHBondContact O-CD1 3.16Å; M169-I173 VanDerWaalsContact O-CG1 3.27Å; M169-I173 WeakPolarHBondContact O-CG1 3.26Å; M169-I173 PolarHBondContact O-N 2.69Å; L170-I173 PolarHBondContact O-N 3.5Å; I173-L182 HydrophobicContact CG2-CD1 3.57Å; I173-L182 HydrophobicContact CG2-CG 4.35Å; I173-Q185 HydrophobicContact CD1-CB 4.01Å; I173-Q185 HydrophobicContact CG1-CB 3.68Å; I173-Q185 HydrophobicContact CG1-CG 4.45Å; I173-L189 HydrophobicContact CD1-CD2 4.07Å
174	K	68.9	Low	68.2	Low	175 Å²	175	93.5 Å²	93.5	76%	0.761	49%	0.488	S	S	*	.	H	α-helix	trans	-69.3	-39.5	-179.2	-173.9	-176.7	175.3	-172	0	113.2	L170 S171 A172	L170-K174 WeakPolarHBondContact O-CB 3.43Å; L170-K174 PolarHBondContact O-N 2.88Å; S171-K174 PolarHBondContact O-N 3.45Å; A172-K174 VanDerWaalsContact C-N 3.3Å; A172-K174 PolarHBondContact O-N 3.13Å
175	E	69.1	Low	68.2	Low	158 Å²	158	88.5 Å²	88.5	74%	0.738	47%	0.466	S	S	*	.	H	α-helix	trans	-78.7	-27.9	-179.3	-71.5	-66.6	144.6	0	0	112.5	S171 A172 K177	S171-E175 WeakPolarHBondContact O-CG 3.4Å; S171-E175 PolarHBondContact O-N 3.31Å; A172-E175 PolarHBondContact O-N 3.45Å; E175-K177 PolarHBondContact O-N 2.85Å; E175-K177 VanDerWaalsContact O-N 3.07Å
176	T	61.3	Low	68.2	Low	53 Å²	53	90 Å²	90	33%	0.325	47%	0.47	S	S	.	.			trans	-80.8	93.8	-178.5	-48.5	0	0	0	0	110.7	A172 L178 E179	A172-T176 WeakPolarHBondContact O-CB 3.46Å; A172-T176 PolarHBondContact O-N 3.44Å; A172-T176 PolarHBondContact O-OG1 2.85Å; T176-L178 PolarHBondContact O-N 3.44Å; T176-E179 WeakPolarHBondContact CG2-O 3.14Å
177	K	62.4	Low	68.3	Low	191 Å²	191	92.8 Å²	92.8	83%	0.83	49%	0.487	S	S	*	.	S	Bend	trans	-73.9	100	157.1	-80	-175.8	-179.7	177.9	0	108.1	E175	E175-K177 PolarHBondContact O-N 2.85Å; E175-K177 VanDerWaalsContact O-N 3.07Å
178	L	59.1	Low	68.8	Low	154 Å²	154	95 Å²	95	81%	0.806	49%	0.494	S	S	*	.	S	Bend	trans	73.8	119.4	173.7	-60.1	95.4	0	0	0	115.5	T176	T176-L178 PolarHBondContact O-N 3.44Å
179	E	56.8	Low	69	Low	160 Å²	160	91 Å²	91	75%	0.748	47%	0.474	S	S	*	.	S	Bend	trans	86.8	121.2	163.1	-65.1	-174.5	162.3	0	0	119.8	T176	T176-E179 WeakPolarHBondContact CG2-O 3.14Å
180	P	57.4	Low	69	Low	66 Å²	66	94.1 Å²	94.1	43%	0.429	49%	0.488	S	S	.	.	S	Bend	cis	-67.1	158.1	-5.5	20.7	-25.6	0	0	0	112.2	Q184 Q185	P180-Q184 HydrophobicContact CB-CB 4.46Å; P180-Q185 HydrophobicContact CG-CG 4.33Å; P180-Q185 PolarHBondContact O-NE2 3.5Å
181	P	65	Low	69.3	Low	65 Å²	65	95.8 Å²	95.8	42%	0.422	49%	0.492	S	S	.	.			trans	-51.3	145.6	-177.2	-24.9	32.8	0	0	0	111.8	D183 Q184	P181-D183 PolarHBondContact O-N 2.88Å; P181-Q184 PolarHBondContact O-N 2.88Å
182	L	68.4	Low	69.6	Low	95 Å²	95	95.9 Å²	95.9	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-46.5	-36.5	176.5	-143.9	79.9	0	0	0	111.8	I173 Q184 Q185 I186	I173-L182 HydrophobicContact CG2-CD1 3.57Å; I173-L182 HydrophobicContact CG2-CG 4.35Å; L182-Q184 PolarHBondContact O-N 3.42Å; L182-Q185 PolarHBondContact O-N 2.99Å; L182-I186 HydrophobicContact CD2-CD1 3.97Å; L182-I186 HydrophobicContact CG-CD1 3.96Å; L182-I186 HydrophobicContact CG-CG1 4.48Å; L182-I186 WeakPolarHBondContact O-CG1 3.45Å; L182-I186 PolarHBondContact O-N 3.48Å
183	D	70.5	Confident	69.8	Low	132 Å²	132	96.2 Å²	96.2	71%	0.706	48%	0.482	S	S	*	.	H	α-helix	trans	-61.1	-21.8	178.8	-56.1	-26	0	0	0	114.4	P181 P187	P181-D183 PolarHBondContact O-N 2.88Å; D183-P187 WeakPolarHBondContact O-CD 3.14Å; D183-P187 WeakPolarHBondContact O-CG 3.14Å
184	Q	72.7	Confident	70	Confident	116 Å²	116	99.4 Å²	99.4	54%	0.542	50%	0.497	S	S	.	.	H	α-helix	trans	-93.2	-30.6	175.7	-66	-176.2	-4.4	0	0	112.6	P180 P181 L182 I188	P180-Q184 HydrophobicContact CB-CB 4.46Å; P181-Q184 PolarHBondContact O-N 2.88Å; L182-Q184 PolarHBondContact O-N 3.42Å; Q184-I188 WeakPolarHBondContact O-CD1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.38Å
185	Q	70.5	Confident	70.5	Confident	24 Å²	24	95 Å²	95	11%	0.112	48%	0.481	C	S	.	.	H	α-helix	trans	-80.8	-38.2	-177	-61.8	-174.7	2.3	0	0	112	M169 I173 P180 L182 I188 L189	M169-Q185 HydrophobicContact CE-CB 4.46Å; M169-Q185 WeakPolarHBondContact CE-O 3.29Å; I173-Q185 HydrophobicContact CD1-CB 4.01Å; I173-Q185 HydrophobicContact CG1-CB 3.68Å; I173-Q185 HydrophobicContact CG1-CG 4.45Å; P180-Q185 HydrophobicContact CG-CG 4.33Å; P180-Q185 PolarHBondContact O-NE2 3.5Å; L182-Q185 PolarHBondContact O-N 2.99Å; Q185-I188 PolarHBondContact O-N 3.28Å; Q185-L189 PolarHBondContact O-N 3.3Å; Q185-L189 VanDerWaalsContact O-N 3.16Å
186	I	75.7	Confident	70.8	Confident	64 Å²	64	88.1 Å²	88.1	33%	0.328	45%	0.451	S	S	.	.	H	α-helix	trans	-59.3	-48.3	179.3	-68.8	169.6	0	0	0	112.2	L182 I188 L189 E190	L182-I186 HydrophobicContact CD2-CD1 3.97Å; L182-I186 HydrophobicContact CG-CD1 3.96Å; L182-I186 HydrophobicContact CG-CG1 4.48Å; L182-I186 WeakPolarHBondContact O-CG1 3.45Å; L182-I186 PolarHBondContact O-N 3.48Å; I186-I188 VanDerWaalsContact C-N 3.28Å; I186-I188 PolarHBondContact O-N 3.28Å; I186-L189 WeakPolarHBondContact O-CB 3.47Å; I186-L189 PolarHBondContact O-N 2.9Å; I186-L189 VanDerWaalsContact O-N 3.15Å; I186-E190 HydrophobicContact CG2-CG 4.09Å; I186-E190 WeakPolarHBondContact O-CG 3.4Å; I186-E190 PolarHBondContact O-N 3.48Å
187	P	75.4	Confident	71.4	Confident	65 Å²	65	90.7 Å²	90.7	42%	0.422	46%	0.459	S	S	.	.	H	α-helix	trans	-62.1	-32.9	-179.9	-26.1	35.7	0	0	0	114	D183 K191	D183-P187 WeakPolarHBondContact O-CD 3.14Å; D183-P187 WeakPolarHBondContact O-CG 3.14Å; P187-K191 VanDerWaalsContact O-CB 3.31Å; P187-K191 WeakPolarHBondContact O-CB 3.45Å; P187-K191 PolarHBondContact O-N 3.29Å
188	I	77.8	Confident	72.1	Confident	100 Å²	100	83 Å²	83	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-68.4	-43.9	177	-60.3	168.3	0	0	0	109.8	M169 Q184 Q185 I186 K191 M192	M169-I188 HydrophobicContact CE-CB 3.53Å; M169-I188 HydrophobicContact CE-CD1 4.22Å; M169-I188 HydrophobicContact CE-CG1 4.47Å; M169-I188 HydrophobicContact CE-CG2 3.5Å; M169-I188 HydrophobicContact SD-CB 4.24Å; M169-I188 HydrophobicContact SD-CG2 3.86Å; Q184-I188 WeakPolarHBondContact O-CD1 3.27Å; Q184-I188 WeakPolarHBondContact O-CG1 3.38Å; Q185-I188 PolarHBondContact O-N 3.28Å; I186-I188 VanDerWaalsContact C-N 3.28Å; I186-I188 PolarHBondContact O-N 3.28Å; I188-K191 PolarHBondContact O-N 3.2Å; I188-M192 WeakPolarHBondContact O-CB 3.21Å; I188-M192 PolarHBondContact O-N 3.35Å
189	L	77.2	Confident	73.1	Confident	18 Å²	18	79.4 Å²	79.4	9%	0.094	41%	0.406	C	S	.	.	H	α-helix	trans	-63	-45.7	175	175.2	66.4	0	0	0	111.6	A166 M169 L170 I173 Q185 I186 K191 M192 V193	A166-L189 HydrophobicContact CB-CD1 3.76Å; A166-L189 WeakPolarHBondContact O-CD1 3.11Å; M169-L189 HydrophobicContact CB-CD1 4.16Å; M169-L189 HydrophobicContact CG-CB 4.24Å; M169-L189 HydrophobicContact CG-CD1 4.37Å; M169-L189 HydrophobicContact SD-CB 3.93Å; L170-L189 HydrophobicContact CD1-CD2 4.29Å; L170-L189 HydrophobicContact CD2-CD2 3.33Å; L170-L189 HydrophobicContact CG-CD1 4.31Å; L170-L189 HydrophobicContact CG-CD2 3.47Å; L170-L189 VanDerWaalsContact CG-CD2 3.47Å; I173-L189 HydrophobicContact CD1-CD2 4.07Å; Q185-L189 PolarHBondContact O-N 3.3Å; Q185-L189 VanDerWaalsContact O-N 3.16Å; I186-L189 WeakPolarHBondContact O-CB 3.47Å; I186-L189 PolarHBondContact O-N 2.9Å; I186-L189 VanDerWaalsContact O-N 3.15Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.06Å; L189-M192 PolarHBondContact O-N 3.07Å; L189-V193 HydrophobicContact CD1-CG2 4.38Å; L189-V193 WeakPolarHBondContact O-CG2 3.45Å; L189-V193 PolarHBondContact O-N 2.88Å
190	E	74.8	Confident	74.1	Confident	109 Å²	109	74.9 Å²	74.9	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-57.8	-46	176.4	-75.5	-178.4	154.2	0	0	111.2	I186 M192 V193 Q194	I186-E190 HydrophobicContact CG2-CG 4.09Å; I186-E190 WeakPolarHBondContact O-CG 3.4Å; I186-E190 PolarHBondContact O-N 3.48Å; E190-M192 PolarHBondContact O-N 3.36Å; E190-V193 PolarHBondContact O-N 3.37Å; E190-Q194 WeakPolarHBondContact O-CB 3.24Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.48Å; E190-Q194 PolarHBondContact O-N 3.36Å
191	K	78.6	Confident	75	Confident	131 Å²	131	73.5 Å²	73.5	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-60.5	-45.1	175.3	-176.9	176.7	179.2	-179.4	0	111.6	P187 I188 L189 V193 Q194 D195	P187-K191 VanDerWaalsContact O-CB 3.31Å; P187-K191 WeakPolarHBondContact O-CB 3.45Å; P187-K191 PolarHBondContact O-N 3.29Å; I188-K191 PolarHBondContact O-N 3.2Å; L189-K191 VanDerWaalsContact C-N 3.32Å; L189-K191 PolarHBondContact O-N 3.06Å; K191-V193 VanDerWaalsContact C-N 3.33Å; K191-V193 PolarHBondContact O-N 2.95Å; K191-Q194 PolarHBondContact O-N 3.46Å; K191-D195 WeakPolarHBondContact O-CB 3.33Å; K191-D195 VanDerWaalsContact O-CG 3.31Å; K191-D195 PolarHBondContact O-N 3.47Å
192	M	77.6	Confident	75.5	Confident	64 Å²	64	70.4 Å²	70.4	32%	0.315	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-44.7	177.7	-175.1	165.9	-151.9	0	0	111.7	A165 I188 L189 E190 D195 S196	A165-M192 HydrophobicContact CB-CE 3.13Å; A165-M192 HydrophobicContact CB-SD 3.61Å; I188-M192 WeakPolarHBondContact O-CB 3.21Å; I188-M192 PolarHBondContact O-N 3.35Å; L189-M192 PolarHBondContact O-N 3.07Å; E190-M192 PolarHBondContact O-N 3.36Å; M192-D195 PolarHBondContact O-N 3.34Å; M192-S196 VanDerWaalsContact O-CB 3.29Å; M192-S196 WeakPolarHBondContact O-CB 3.16Å; M192-S196 PolarHBondContact O-N 3.1Å; M192-S196 PolarHBondContact O-OG 2.93Å
193	V	76.1	Confident	75.9	Confident	56 Å²	56	66.4 Å²	66.4	34%	0.339	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-39.8	176.3	173.1	0	0	0	0	111.4	A166 L189 E190 K191 S196 Q197	A166-V193 HydrophobicContact CB-CG2 4.16Å; L189-V193 HydrophobicContact CD1-CG2 4.38Å; L189-V193 WeakPolarHBondContact O-CG2 3.45Å; L189-V193 PolarHBondContact O-N 2.88Å; E190-V193 PolarHBondContact O-N 3.37Å; K191-V193 VanDerWaalsContact C-N 3.33Å; K191-V193 PolarHBondContact O-N 2.95Å; V193-S196 WeakPolarHBondContact O-CB 3.35Å; V193-S196 PolarHBondContact O-N 3.46Å; V193-Q197 VanDerWaalsContact O-CG 3.31Å; V193-Q197 WeakPolarHBondContact O-CG 3.28Å; V193-Q197 PolarHBondContact O-N 2.99Å
194	Q	75.9	Confident	76	Confident	92 Å²	92	64.2 Å²	64.2	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-65.7	-46.6	176.8	-73.9	173.5	6.8	0	0	112.4	E190 K191 S196 Q197 L198	E190-Q194 WeakPolarHBondContact O-CB 3.24Å; E190-Q194 VanDerWaalsContact O-CG 3.27Å; E190-Q194 WeakPolarHBondContact O-CG 3.48Å; E190-Q194 PolarHBondContact O-N 3.36Å; K191-Q194 PolarHBondContact O-N 3.46Å; Q194-S196 PolarHBondContact O-N 3.44Å; Q194-Q197 WeakPolarHBondContact O-CB 3.47Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q194-L198 WeakPolarHBondContact O-CG 3.4Å; Q194-L198 PolarHBondContact O-N 3.21Å
195	D	78.7	Confident	75.9	Confident	81 Å²	81	59.4 Å²	59.4	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-38.8	176	-69.8	-16.9	0	0	0	110.3	K191 M192 L198 E199	K191-D195 WeakPolarHBondContact O-CB 3.33Å; K191-D195 VanDerWaalsContact O-CG 3.31Å; K191-D195 PolarHBondContact O-N 3.47Å; M192-D195 PolarHBondContact O-N 3.34Å; D195-L198 WeakPolarHBondContact O-CB 3.16Å; D195-L198 PolarHBondContact O-N 3.24Å; D195-E199 PolarHBondContact O-N 3.28Å
196	S	75.1	Confident	75.8	Confident	15 Å²	15	61.5 Å²	61.5	11%	0.105	31%	0.306	C	S	.	.	H	α-helix	trans	-64.4	-43.1	175.8	-57.7	0	0	0	0	113	Q162 M192 V193 Q194 L198 E199 M200	Q162-S196 WeakPolarHBondContact CB-OG 3.27Å; Q162-S196 VanDerWaalsContact CD-OG 3.22Å; Q162-S196 WeakPolarHBondContact CG-OG 3.39Å; Q162-S196 PolarHBondContact OE1-O 3.5Å; Q162-S196 PolarHBondContact OE1-OG 3.26Å; M192-S196 VanDerWaalsContact O-CB 3.29Å; M192-S196 WeakPolarHBondContact O-CB 3.16Å; M192-S196 PolarHBondContact O-N 3.1Å; M192-S196 PolarHBondContact O-OG 2.93Å; V193-S196 WeakPolarHBondContact O-CB 3.35Å; V193-S196 PolarHBondContact O-N 3.46Å; Q194-S196 PolarHBondContact O-N 3.44Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-E199 PolarHBondContact O-N 3.32Å; S196-M200 WeakPolarHBondContact O-CB 3.45Å; S196-M200 PolarHBondContact O-N 3.38Å
197	Q	74.1	Confident	75.1	Confident	106 Å²	106	60.8 Å²	60.8	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-42.8	173.3	-73.7	174.5	-0.4	0	0	111	V193 Q194 E199 M200 R201	V193-Q197 VanDerWaalsContact O-CG 3.31Å; V193-Q197 WeakPolarHBondContact O-CG 3.28Å; V193-Q197 PolarHBondContact O-N 2.99Å; Q194-Q197 WeakPolarHBondContact O-CB 3.47Å; Q194-Q197 PolarHBondContact O-N 3.03Å; Q197-E199 VanDerWaalsContact C-N 3.34Å; Q197-E199 PolarHBondContact O-N 3.18Å; Q197-M200 PolarHBondContact O-N 3.32Å; Q197-R201 WeakPolarHBondContact O-CB 3.5Å; Q197-R201 WeakPolarHBondContact O-CG 3.41Å; Q197-R201 PolarHBondContact O-N 2.66Å
198	L	77.2	Confident	74.2	Confident	30 Å²	30	62.9 Å²	62.9	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-58.8	-45.8	176.4	-74.6	179	0	0	0	111.7	Q194 D195 S196 R201 A202 V232 P233 L265	Q194-L198 WeakPolarHBondContact O-CG 3.4Å; Q194-L198 PolarHBondContact O-N 3.21Å; D195-L198 WeakPolarHBondContact O-CB 3.16Å; D195-L198 PolarHBondContact O-N 3.24Å; S196-L198 VanDerWaalsContact C-N 3.35Å; L198-R201 PolarHBondContact O-N 3.42Å; L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.43Å; L198-V232 HydrophobicContact CD2-CB 3.87Å; L198-V232 HydrophobicContact CD2-CG1 3.41Å; L198-V232 VanDerWaalsContact CD2-CG1 3.41Å; L198-P233 HydrophobicContact CD1-CG 4.24Å; L198-P233 HydrophobicContact CD2-CG 4.19Å; L198-P233 HydrophobicContact CG-CG 4.38Å; L198-L265 HydrophobicContact CD2-CD2 4.06Å
199	E	80.7	Confident	72.9	Confident	78 Å²	78	62.8 Å²	62.8	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-46.4	179.2	-166.8	176.1	152	0	0	112.2	S158 Q162 D195 S196 Q197 R201 A202 L203	S158-E199 PolarHBondContact OG-OE1 3.01Å; Q162-E199 VanDerWaalsContact NE2-CD 3.35Å; Q162-E199 PolarHBondContact NE2-OE2 2.97Å; D195-E199 PolarHBondContact O-N 3.28Å; S196-E199 PolarHBondContact O-N 3.32Å; Q197-E199 VanDerWaalsContact C-N 3.34Å; Q197-E199 PolarHBondContact O-N 3.18Å; E199-R201 VanDerWaalsContact C-N 3.29Å; E199-R201 PolarHBondContact O-N 2.97Å; E199-A202 WeakPolarHBondContact O-CB 3.39Å; E199-A202 PolarHBondContact O-N 2.93Å; E199-L203 HydrophobicContact CG-CD1 4.42Å; E199-L203 WeakPolarHBondContact O-CG 3.29Å; E199-L203 PolarHBondContact O-N 3.05Å
200	M	76.6	Confident	71.7	Confident	65 Å²	65	64.8 Å²	64.8	32%	0.32	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-42.9	175	-173.9	-164.7	-67.7	0	0	111.2	L155 V159 S196 Q197 L203 L204	L155-M200 HydrophobicContact CD2-CG 4.29Å; V159-M200 HydrophobicContact CB-CE 4.18Å; V159-M200 HydrophobicContact CG1-CE 3.66Å; V159-M200 HydrophobicContact CG2-CB 4.28Å; V159-M200 HydrophobicContact CG2-CE 3.39Å; V159-M200 HydrophobicContact CG2-CG 3.98Å; V159-M200 HydrophobicContact CG2-SD 4.44Å; S196-M200 WeakPolarHBondContact O-CB 3.45Å; S196-M200 PolarHBondContact O-N 3.38Å; Q197-M200 PolarHBondContact O-N 3.32Å; M200-L203 PolarHBondContact O-N 3.18Å; M200-L204 HydrophobicContact CG-CD1 4.29Å; M200-L204 WeakPolarHBondContact O-CG 3.4Å; M200-L204 PolarHBondContact O-N 3.02Å
201	R	75.8	Confident	71.1	Confident	38 Å²	38	60.6 Å²	60.6	14%	0.143	31%	0.305	C	S	.	.	H	α-helix	trans	-67	-39.1	179.2	-70.3	-170.6	85.2	-129.8	-13.2	111.9	Q197 L198 E199 L204 L205 D227 K231 V232	Q197-R201 WeakPolarHBondContact O-CB 3.5Å; Q197-R201 WeakPolarHBondContact O-CG 3.41Å; Q197-R201 PolarHBondContact O-N 2.66Å; L198-R201 PolarHBondContact O-N 3.42Å; E199-R201 VanDerWaalsContact C-N 3.29Å; E199-R201 PolarHBondContact O-N 2.97Å; R201-L204 PolarHBondContact O-N 3.38Å; R201-L205 WeakPolarHBondContact O-CG 3.13Å; R201-L205 PolarHBondContact O-N 3.31Å; R201-D227 IonicContact NH2-OD2 3.74Å; R201-K231 WeakPolarHBondContact CD-O 3.35Å; R201-K231 PolarHBondContact NH1-O 2.97Å; R201-V232 VanDerWaalsContact NH1-N 3.11Å
202	A	77.4	Confident	70.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.9	-42.5	172.4	0	0	0	0	0	112	L198 E199 L204 L205 H206 S262 L265 R266	L198-A202 WeakPolarHBondContact O-CB 3.43Å; L198-A202 PolarHBondContact O-N 3.43Å; E199-A202 WeakPolarHBondContact O-CB 3.39Å; E199-A202 PolarHBondContact O-N 2.93Å; A202-L204 PolarHBondContact O-N 3.41Å; A202-L205 WeakPolarHBondContact O-CB 3.4Å; A202-L205 PolarHBondContact O-N 2.86Å; A202-H206 PolarHBondContact O-ND1 3.26Å; A202-S262 WeakPolarHBondContact CB-OG 3.44Å; A202-S262 PolarHBondContact O-OG 3.09Å; A202-S262 VanDerWaalsContact O-OG 3.07Å; A202-L265 HydrophobicContact CB-CB 4.08Å; A202-L265 HydrophobicContact CB-CD1 4.47Å; A202-R266 HydrophobicContact CB-CG 3.49Å; A202-R266 VanDerWaalsContact CB-CG 3.49Å; A202-R266 PolarHBondContact O-NH2 2.96Å
203	L	76.1	Confident	70.3	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-41.6	172.3	-71.5	163.5	0	0	0	112.3	E154 L155 E199 M200 L205 H206 L207 R266	E154-L203 HydrophobicContact CB-CD2 4.37Å; L155-L203 HydrophobicContact CD2-CB 3.6Å; L155-L203 HydrophobicContact CD2-CD1 3.96Å; L155-L203 HydrophobicContact CD2-CG 4.38Å; L155-L203 HydrophobicContact CG-CB 4.35Å; E199-L203 HydrophobicContact CG-CD1 4.42Å; E199-L203 WeakPolarHBondContact O-CG 3.29Å; E199-L203 PolarHBondContact O-N 3.05Å; M200-L203 PolarHBondContact O-N 3.18Å; L203-L205 VanDerWaalsContact C-N 3.28Å; L203-L205 PolarHBondContact O-N 3.48Å; L203-H206 WeakPolarHBondContact O-CB 3.34Å; L203-H206 PolarHBondContact O-N 3.49Å; L203-L207 PolarHBondContact O-N 2.89Å; L203-R266 VanDerWaalsContact CA-NH2 3.28Å
204	L	71.4	Confident	70.2	Confident	87 Å²	87	63.4 Å²	63.4	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-66.2	-27.4	177.6	-72.8	172	0	0	0	113.6	L155 M200 R201 A202 H206 L207 R208	L155-L204 HydrophobicContact CD1-CD2 4.48Å; M200-L204 HydrophobicContact CG-CD1 4.29Å; M200-L204 WeakPolarHBondContact O-CG 3.4Å; M200-L204 PolarHBondContact O-N 3.02Å; R201-L204 PolarHBondContact O-N 3.38Å; A202-L204 PolarHBondContact O-N 3.41Å; L204-H206 VanDerWaalsContact C-N 3.32Å; L204-H206 PolarHBondContact O-N 2.99Å; L204-L207 HydrophobicContact CD2-CD1 4.17Å; L204-L207 PolarHBondContact O-N 3.31Å; L204-R208 PolarHBondContact O-N 3.26Å
205	L	72.2	Confident	70.7	Confident	15 Å²	15	63.2 Å²	63.2	8%	0.079	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-39.6	173.5	-72.8	177.2	0	0	0	112	R201 A202 L203 L207 L224 L228 Q258 I261 L265	R201-L205 WeakPolarHBondContact O-CG 3.13Å; R201-L205 PolarHBondContact O-N 3.31Å; A202-L205 WeakPolarHBondContact O-CB 3.4Å; A202-L205 PolarHBondContact O-N 2.86Å; L203-L205 VanDerWaalsContact C-N 3.28Å; L203-L205 PolarHBondContact O-N 3.48Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-L224 HydrophobicContact CD2-CD1 3.55Å; L205-L228 HydrophobicContact CD1-CD2 4.41Å; L205-L228 HydrophobicContact CD2-CD2 4.49Å; L205-Q258 PolarHBondContact O-NE2 3.3Å; L205-I261 HydrophobicContact CD1-CG2 4.01Å; L205-L265 HydrophobicContact CD1-CD1 3.94Å
206	H	68.1	Low	71.3	Confident	67 Å²	67	61 Å²	61	31%	0.31	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-34.7	176.4	-65.6	82.3	0	0	0	112.3	A202 L203 L204 R208 E259 S262 R266	A202-H206 PolarHBondContact O-ND1 3.26Å; L203-H206 WeakPolarHBondContact O-CB 3.34Å; L203-H206 PolarHBondContact O-N 3.49Å; L204-H206 VanDerWaalsContact C-N 3.32Å; L204-H206 PolarHBondContact O-N 2.99Å; H206-R208 VanDerWaalsContact C-N 3.32Å; H206-R208 PolarHBondContact O-N 3.21Å; H206-E259 IonicContact CD2-OE2 3.31Å; H206-E259 PolarHBondContact CD2-OE2 3.14Å; H206-E259 IonicContact NE2-OE1 3.49Å; H206-E259 IonicContact NE2-OE2 3.75Å; H206-E259 PolarHBondContact NE2-OE2 3.2Å; H206-S262 PolarHBondContact CE1-OG 3.28Å; H206-S262 PolarHBondContact ND1-OG 2.98Å; H206-R266 VanDerWaalsContact CE1-CZ 3.49Å; H206-R266 PolarHBondContact CE1-NH1 3.24Å; H206-R266 VanDerWaalsContact CE1-NH1 3.28Å; H206-R266 PolarHBondContact CE1-NH2 3.04Å; H206-R266 PolarHBondContact ND1-NH2 3.29Å
207	L	60.4	Low	72.1	Confident	49 Å²	49	60.2 Å²	60.2	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-75.7	-15.2	-176.7	-91.3	164.7	0	0	0	114.6	L151 L155 L203 L204 L205 P209	L151-L207 HydrophobicContact CB-CD1 4.29Å; L151-L207 HydrophobicContact CB-CD2 3.57Å; L151-L207 HydrophobicContact CB-CG 3.98Å; L151-L207 HydrophobicContact CD1-CD2 3.36Å; L151-L207 HydrophobicContact CD1-CG 3.84Å; L151-L207 HydrophobicContact CD2-CG 4.31Å; L151-L207 HydrophobicContact CG-CD2 4Å; L151-L207 HydrophobicContact CG-CG 4.26Å; L155-L207 HydrophobicContact CD1-CD1 3.21Å; L155-L207 HydrophobicContact CD2-CD1 4.48Å; L155-L207 HydrophobicContact CG-CD1 3.89Å; L203-L207 PolarHBondContact O-N 2.89Å; L204-L207 HydrophobicContact CD2-CD1 4.17Å; L204-L207 PolarHBondContact O-N 3.31Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L207-P209 WeakPolarHBondContact O-CD 3.39Å; L207-P209 WeakPolarHBondContact O-CG 3.44Å
208	R	57.6	Low	73	Confident	110 Å²	110	55.7 Å²	55.7	42%	0.415	28%	0.284	S	S	.	.			trans	-77.2	98	-179.4	-172	173.4	-178.4	156	2.8	108.3	L204 H206 L210	L204-R208 PolarHBondContact O-N 3.26Å; H206-R208 VanDerWaalsContact C-N 3.32Å; H206-R208 PolarHBondContact O-N 3.21Å; R208-L210 HydrophobicContact CG-CB 3.72Å; R208-L210 HydrophobicContact CG-CD1 3.82Å; R208-L210 HydrophobicContact CG-CG 3.63Å; R208-L210 PolarHBondContact O-N 2.85Å
209	P	48.7	Very low	73.8	Confident	98 Å²	98	58.9 Å²	58.9	64%	0.636	30%	0.298	S	S	*	.			trans	-78.7	16.1	178.5	7.1	16.1	0	0	0	110.3	L207 G211	L207-P209 WeakPolarHBondContact O-CD 3.39Å; L207-P209 WeakPolarHBondContact O-CG 3.44Å; P209-G211 VanDerWaalsContact C-N 3.34Å; P209-G211 PolarHBondContact O-N 2.61Å
210	L	52.2	Low	74.3	Confident	59 Å²	59	55.5 Å²	55.5	31%	0.309	28%	0.284	S	S	.	.			trans	-84.1	91.8	-178.8	-48.8	-178.9	0	0	0	104.6	R208 K213	R208-L210 HydrophobicContact CG-CB 3.72Å; R208-L210 HydrophobicContact CG-CD1 3.82Å; R208-L210 HydrophobicContact CG-CG 3.63Å; R208-L210 PolarHBondContact O-N 2.85Å; L210-K213 HydrophobicContact CB-CD 4.43Å; L210-K213 HydrophobicContact CB-CG 4.37Å; L210-K213 HydrophobicContact CD1-CD 4.5Å; L210-K213 VanDerWaalsContact CD1-CE 3.47Å; L210-K213 HydrophobicContact CD2-CD 4.47Å
211	G	62.5	Low	75.1	Confident	22 Å²	22	52.4 Å²	52.4	23%	0.227	27%	0.269	C	S	.	.			trans	-52.1	-172.8	151.8	0	0	0	0	0	109.8	P209 K213	P209-G211 VanDerWaalsContact C-N 3.34Å; P209-G211 PolarHBondContact O-N 2.61Å; G211-K213 PolarHBondContact O-N 3.27Å
212	L	71	Confident	76	Confident	21 Å²	21	53.6 Å²	53.6	11%	0.11	28%	0.275	C	S	.	.			trans	-62.7	-6.1	-167.5	-65.8	167.5	0	0	0	116	D214 K215 L217 E250 F254	L212-D214 VanDerWaalsContact C-N 3.27Å; L212-D214 PolarHBondContact O-N 2.89Å; L212-K215 HydrophobicContact CB-CB 4.37Å; L212-K215 WeakPolarHBondContact CB-O 3.45Å; L212-K215 WeakPolarHBondContact O-CB 3.48Å; L212-K215 WeakPolarHBondContact O-CG 3.36Å; L212-K215 PolarHBondContact O-N 2.79Å; L212-L217 HydrophobicContact CD1-CB 4.3Å; L212-E250 HydrophobicContact CD1-CB 3.47Å; L212-E250 VanDerWaalsContact CD1-CB 3.47Å; L212-E250 HydrophobicContact CD1-CG 4.17Å; L212-F254 HydrophobicContact CD2-CB 4.37Å; L212-F254 HydrophobicContact CD2-CD1 4.34Å; L212-F254 HydrophobicContact CD2-CD2 3.84Å; L212-F254 HydrophobicContact CD2-CE2 4.22Å; L212-F254 HydrophobicContact CD2-CG 3.92Å; L212-F254 HydrophobicContact CG-CG 4.46Å
213	K	68.5	Low	76.6	Confident	137 Å²	137	56.9 Å²	56.9	60%	0.596	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	55.2	178.6	-69.2	-169.6	175.3	-172.9	0	111	L210 G211 K215	L210-K213 HydrophobicContact CB-CD 4.43Å; L210-K213 HydrophobicContact CB-CG 4.37Å; L210-K213 HydrophobicContact CD1-CD 4.5Å; L210-K213 VanDerWaalsContact CD1-CE 3.47Å; L210-K213 HydrophobicContact CD2-CD 4.47Å; G211-K213 PolarHBondContact O-N 3.27Å; K213-K215 PolarHBondContact O-N 3.19Å
214	D	74.8	Confident	77.2	Confident	151 Å²	151	56.6 Å²	56.6	81%	0.807	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	-0.2	-178.6	-47.9	-50.8	0	0	0	116.7	L212	L212-D214 VanDerWaalsContact C-N 3.27Å; L212-D214 PolarHBondContact O-N 2.89Å
215	K	85.4	Confident	78.2	Confident	88 Å²	88	52.4 Å²	52.4	38%	0.383	27%	0.269	S	S	.	.			trans	-78.9	160.7	171.5	-57.7	-179.5	176.6	-175.9	0	111.9	L212 K213 E219 D223	L212-K215 HydrophobicContact CB-CB 4.37Å; L212-K215 WeakPolarHBondContact CB-O 3.45Å; L212-K215 WeakPolarHBondContact O-CB 3.48Å; L212-K215 WeakPolarHBondContact O-CG 3.36Å; L212-K215 PolarHBondContact O-N 2.79Å; K213-K215 PolarHBondContact O-N 3.19Å; K215-E219 HydrophobicContact CB-CB 4.08Å; K215-D223 IonicContact NZ-OD2 3.62Å; K215-D223 PolarHBondContact NZ-OD2 3.46Å
216	S	90.9	Very high	79.1	Confident	34 Å²	34	55 Å²	55	24%	0.238	28%	0.283	C	S	.	.			trans	-74.1	159.4	165.8	63.6	0	0	0	0	111.7	G218 E219 G220 E250	S216-G218 VanDerWaalsContact C-N 3.26Å; S216-G218 PolarHBondContact O-N 2.97Å; S216-E219 WeakPolarHBondContact CB-OE2 3.49Å; S216-E219 PolarHBondContact N-OE2 3.36Å; S216-E219 PolarHBondContact O-N 3.26Å; S216-E219 WeakPolarHBondContact OG-CB 3.49Å; S216-E219 VanDerWaalsContact OG-CD 3.28Å; S216-E219 VanDerWaalsContact OG-CG 3.22Å; S216-E219 WeakPolarHBondContact OG-CG 3.28Å; S216-E219 PolarHBondContact OG-N 2.92Å; S216-E219 PolarHBondContact OG-OE2 3.47Å; S216-G220 PolarHBondContact O-N 3.42Å; S216-E250 WeakPolarHBondContact CA-OE1 3.48Å
217	L	92.9	Very high	80	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-52.2	-45.4	173.8	176.4	62.7	0	0	0	112	L212 G220 I221 V245 E250 L253 F254 L277	L212-L217 HydrophobicContact CD1-CB 4.3Å; L217-G220 PolarHBondContact O-N 2.91Å; L217-I221 HydrophobicContact CD1-CD1 3.84Å; L217-I221 HydrophobicContact CD1-CG1 4.15Å; L217-I221 HydrophobicContact CG-CD1 3.98Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 3.31Å; L217-V245 HydrophobicContact CD2-CG1 4.29Å; L217-V245 HydrophobicContact CD2-CG2 4.34Å; L217-E250 HydrophobicContact CB-CB 4.29Å; L217-E250 HydrophobicContact CB-CG 4.08Å; L217-E250 PolarHBondContact N-OE1 2.84Å; L217-L253 HydrophobicContact CD1-CB 4.06Å; L217-L253 HydrophobicContact CD2-CB 3.73Å; L217-L253 HydrophobicContact CD2-CD1 3.64Å; L217-L253 HydrophobicContact CD2-CG 4.35Å; L217-F254 HydrophobicContact CD1-CB 3.82Å; L217-F254 HydrophobicContact CD1-CD2 4.33Å; L217-L277 HydrophobicContact CD2-CD1 4.15Å; L217-L277 HydrophobicContact CD2-CD2 3.94Å; L217-L277 HydrophobicContact CG-CD2 4.07Å
218	G	93.4	Very high	81.3	Confident	10 Å²	10	52 Å²	52	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-43.8	-179.1	0	0	0	0	0	112.9	S216 K222	S216-G218 VanDerWaalsContact C-N 3.26Å; S216-G218 PolarHBondContact O-N 2.97Å; G218-K222 VanDerWaalsContact O-CG 3.24Å; G218-K222 WeakPolarHBondContact O-CG 3.28Å; G218-K222 PolarHBondContact O-N 3.43Å
219	E	92.5	Very high	82.8	Confident	97 Å²	97	51.4 Å²	51.4	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-43.8	174.7	-71.2	166.7	135.7	0	0	111.9	K215 S216 I221 K222 D223	K215-E219 HydrophobicContact CB-CB 4.08Å; S216-E219 WeakPolarHBondContact CB-OE2 3.49Å; S216-E219 PolarHBondContact N-OE2 3.36Å; S216-E219 PolarHBondContact O-N 3.26Å; S216-E219 WeakPolarHBondContact OG-CB 3.49Å; S216-E219 VanDerWaalsContact OG-CD 3.28Å; S216-E219 VanDerWaalsContact OG-CG 3.22Å; S216-E219 WeakPolarHBondContact OG-CG 3.28Å; S216-E219 PolarHBondContact OG-N 2.92Å; S216-E219 PolarHBondContact OG-OE2 3.47Å; E219-I221 VanDerWaalsContact C-N 3.34Å; E219-I221 PolarHBondContact O-N 3.38Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-D223 WeakPolarHBondContact O-CB 3.35Å; E219-D223 PolarHBondContact O-N 3.35Å
220	G	91.4	Very high	84.4	Confident	7 Å²	7	54.7 Å²	54.7	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-59.2	-43.5	177.7	0	0	0	0	0	112.7	S216 L217 L224 F254	S216-G220 PolarHBondContact O-N 3.42Å; L217-G220 PolarHBondContact O-N 2.91Å; G220-L224 VanDerWaalsContact O-CB 3.32Å; G220-L224 WeakPolarHBondContact O-CB 3.23Å; G220-L224 PolarHBondContact O-N 2.91Å; G220-F254 WeakPolarHBondContact O-CE2 3.44Å
221	I	94	Very high	85.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-44.8	176.1	-66.5	173.8	0	0	0	111	L217 E219 D223 L224 V225 I240 F254 T257 V275 L277 L286	L217-I221 HydrophobicContact CD1-CD1 3.84Å; L217-I221 HydrophobicContact CD1-CG1 4.15Å; L217-I221 HydrophobicContact CG-CD1 3.98Å; L217-I221 WeakPolarHBondContact O-CG1 3.47Å; L217-I221 PolarHBondContact O-N 3.31Å; E219-I221 VanDerWaalsContact C-N 3.34Å; E219-I221 PolarHBondContact O-N 3.38Å; I221-D223 PolarHBondContact O-N 3.38Å; I221-L224 WeakPolarHBondContact O-CB 3.41Å; I221-L224 PolarHBondContact O-N 3.18Å; I221-V225 HydrophobicContact CG2-CG2 4.35Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.22Å; I221-I240 HydrophobicContact CB-CD1 4.39Å; I221-I240 HydrophobicContact CG2-CD1 3.74Å; I221-I240 HydrophobicContact CG2-CG1 4.28Å; I221-F254 HydrophobicContact CG1-CD2 4.21Å; I221-T257 HydrophobicContact CD1-CG2 4.37Å; I221-T257 HydrophobicContact CG1-CG2 4.17Å; I221-V275 HydrophobicContact CG2-CB 4.34Å; I221-V275 HydrophobicContact CG2-CG1 3.63Å; I221-L277 HydrophobicContact CD1-CD2 4.47Å; I221-L286 HydrophobicContact CD1-CD1 4.23Å
222	K	94	Very high	86.7	Confident	63 Å²	63	56.8 Å²	56.8	27%	0.274	28%	0.276	S	S	.	.	H	α-helix	trans	-57.6	-48.5	177.3	-74.1	168.9	-174.6	172.2	0	111.2	G218 E219 L224 V225 I226 I240	G218-K222 VanDerWaalsContact O-CG 3.24Å; G218-K222 WeakPolarHBondContact O-CG 3.28Å; G218-K222 PolarHBondContact O-N 3.43Å; E219-K222 PolarHBondContact O-N 2.93Å; K222-L224 PolarHBondContact O-N 2.93Å; K222-V225 PolarHBondContact O-N 2.93Å; K222-I226 VanDerWaalsContact O-CG1 3.27Å; K222-I226 WeakPolarHBondContact O-CG1 3.26Å; K222-I226 PolarHBondContact O-N 3.35Å; K222-I240 HydrophobicContact CG-CG1 4.28Å
223	D	90.5	Very high	87.1	Confident	69 Å²	69	60.4 Å²	60.4	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-43.4	177.4	-80.6	-11.2	0	0	0	112.4	K215 E219 I221 V225 I226 D227	K215-D223 IonicContact NZ-OD2 3.62Å; K215-D223 PolarHBondContact NZ-OD2 3.46Å; E219-D223 WeakPolarHBondContact O-CB 3.35Å; E219-D223 PolarHBondContact O-N 3.35Å; I221-D223 PolarHBondContact O-N 3.38Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-V225 PolarHBondContact O-N 3.37Å; D223-I226 PolarHBondContact O-N 3.45Å; D223-D227 WeakPolarHBondContact O-CB 3.36Å; D223-D227 PolarHBondContact O-N 2.96Å
224	L	89.7	Confident	88.1	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-46.5	176.2	175.4	60.7	0	0	0	110.9	L205 G220 I221 K222 D227 L228 F254 T257 Q258 I261	L205-L224 HydrophobicContact CD2-CD1 3.55Å; G220-L224 VanDerWaalsContact O-CB 3.32Å; G220-L224 WeakPolarHBondContact O-CB 3.23Å; G220-L224 PolarHBondContact O-N 2.91Å; I221-L224 WeakPolarHBondContact O-CB 3.41Å; I221-L224 PolarHBondContact O-N 3.18Å; K222-L224 PolarHBondContact O-N 2.93Å; L224-D227 PolarHBondContact O-N 3.4Å; L224-L228 HydrophobicContact CD1-CD1 3.93Å; L224-L228 HydrophobicContact CD1-CG 4.25Å; L224-L228 HydrophobicContact CG-CD1 4.01Å; L224-L228 WeakPolarHBondContact O-CB 3.26Å; L224-L228 VanDerWaalsContact O-CG 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.45Å; L224-L228 PolarHBondContact O-N 3.49Å; L224-F254 HydrophobicContact CB-CE2 4.49Å; L224-F254 HydrophobicContact CD2-CE2 4.26Å; L224-F254 HydrophobicContact CD2-CZ 4.47Å; L224-T257 HydrophobicContact CD2-CG2 4.47Å; L224-Q258 HydrophobicContact CD2-CG 4Å; L224-I261 HydrophobicContact CD2-CD1 3.8Å; L224-I261 HydrophobicContact CG-CD1 4.35Å
225	V	92.7	Very high	89	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-44.6	180	171.4	0	0	0	0	111.5	I221 K222 D223 D227 L228 Q229 V236 H238 V275	I221-V225 HydrophobicContact CG2-CG2 4.35Å; I221-V225 WeakPolarHBondContact O-CG2 3.43Å; I221-V225 PolarHBondContact O-N 3.22Å; K222-V225 PolarHBondContact O-N 2.93Å; D223-V225 VanDerWaalsContact C-N 3.33Å; D223-V225 PolarHBondContact O-N 3.37Å; V225-D227 VanDerWaalsContact C-N 3.31Å; V225-D227 PolarHBondContact O-N 3.15Å; V225-L228 PolarHBondContact O-N 2.93Å; V225-Q229 HydrophobicContact CG1-CG 4.21Å; V225-Q229 WeakPolarHBondContact O-CB 3.27Å; V225-Q229 VanDerWaalsContact O-CG 3.29Å; V225-Q229 WeakPolarHBondContact O-CG 3.47Å; V225-Q229 PolarHBondContact O-N 3.4Å; V225-V236 HydrophobicContact CB-CG1 4.11Å; V225-V236 HydrophobicContact CG1-CB 4.09Å; V225-V236 HydrophobicContact CG1-CG1 3.59Å; V225-V236 HydrophobicContact CG2-CG1 3.83Å; V225-H238 HydrophobicContact CB-CB 4.44Å; V225-H238 HydrophobicContact CG1-CB 4.31Å; V225-H238 HydrophobicContact CG2-CB 4.14Å; V225-V275 HydrophobicContact CG2-CG2 4.43Å
226	I	90.9	Very high	89.5	Confident	70 Å²	70	49.8 Å²	49.8	36%	0.359	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-41.2	176.6	-68.7	165.1	0	0	0	111.1	K222 D223 K230	K222-I226 VanDerWaalsContact O-CG1 3.27Å; K222-I226 WeakPolarHBondContact O-CG1 3.26Å; K222-I226 PolarHBondContact O-N 3.35Å; D223-I226 PolarHBondContact O-N 3.45Å; I226-K230 WeakPolarHBondContact O-CG 3.21Å
227	D	86	Confident	89.7	Confident	50 Å²	50	50.2 Å²	50.2	27%	0.267	25%	0.25	S	C	.	.	H	α-helix	trans	-65.8	-40.5	176.7	-169.5	69.8	0	0	0	111.9	R201 D223 L224 V225 K231	R201-D227 IonicContact NH2-OD2 3.74Å; D223-D227 WeakPolarHBondContact O-CB 3.36Å; D223-D227 PolarHBondContact O-N 2.96Å; L224-D227 PolarHBondContact O-N 3.4Å; V225-D227 VanDerWaalsContact C-N 3.31Å; V225-D227 PolarHBondContact O-N 3.15Å; D227-K231 WeakPolarHBondContact O-CD 3.38Å; D227-K231 VanDerWaalsContact OD1-CE 3.27Å; D227-K231 WeakPolarHBondContact OD1-CE 3.45Å; D227-K231 IonicContact OD1-NZ 3.77Å; D227-K231 PolarHBondContact OD1-NZ 2.6Å; D227-K231 IonicContact OD2-NZ 2.76Å; D227-K231 PolarHBondContact OD2-NZ 2.98Å
228	L	87.4	Confident	89.9	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-45.3	177.9	-71.9	169.6	0	0	0	111.9	L205 L224 V225 K230 K231 V232 V236 I261 L265	L205-L228 HydrophobicContact CD1-CD2 4.41Å; L205-L228 HydrophobicContact CD2-CD2 4.49Å; L224-L228 HydrophobicContact CD1-CD1 3.93Å; L224-L228 HydrophobicContact CD1-CG 4.25Å; L224-L228 HydrophobicContact CG-CD1 4.01Å; L224-L228 WeakPolarHBondContact O-CB 3.26Å; L224-L228 VanDerWaalsContact O-CG 3.25Å; L224-L228 WeakPolarHBondContact O-CG 3.45Å; L224-L228 PolarHBondContact O-N 3.49Å; V225-L228 PolarHBondContact O-N 2.93Å; L228-K230 PolarHBondContact O-N 3.34Å; L228-K230 VanDerWaalsContact O-N 3.09Å; L228-K231 CarbonylContact O-C 3.59Å; L228-K231 PolarHBondContact O-N 3.47Å; L228-V232 HydrophobicContact CB-CG2 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.28Å; L228-V232 PolarHBondContact O-N 2.87Å; L228-V236 HydrophobicContact CB-CG2 4.03Å; L228-I261 HydrophobicContact CD1-CD1 4.26Å; L228-I261 HydrophobicContact CD1-CG2 3.57Å; L228-L265 HydrophobicContact CD2-CD1 4.25Å
229	Q	90.3	Very high	90.1	Very high	98 Å²	98	57.9 Å²	57.9	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-51.9	-34.3	178.5	-78.6	175.7	-13.6	0	0	113.3	V225 K231 V236	V225-Q229 HydrophobicContact CG1-CG 4.21Å; V225-Q229 WeakPolarHBondContact O-CB 3.27Å; V225-Q229 VanDerWaalsContact O-CG 3.29Å; V225-Q229 WeakPolarHBondContact O-CG 3.47Å; V225-Q229 PolarHBondContact O-N 3.4Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; Q229-K231 PolarHBondContact O-N 3.24Å; Q229-V236 HydrophobicContact CG-CB 4.15Å; Q229-V236 WeakPolarHBondContact CG-O 3.27Å; Q229-V236 PolarHBondContact NE2-O 3.28Å
230	K	82.1	Confident	90.3	Very high	167 Å²	167	54.4 Å²	54.4	73%	0.726	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.8	-179.1	-68	175	-175.9	177.4	0	114.2	I226 L228	I226-K230 WeakPolarHBondContact O-CG 3.21Å; L228-K230 PolarHBondContact O-N 3.34Å; L228-K230 VanDerWaalsContact O-N 3.09Å
231	K	78.5	Confident	90.4	Very high	112 Å²	112	58.1 Å²	58.1	49%	0.487	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-6.9	-159.5	-66.9	174.1	179.5	172.1	0	113.6	R201 D227 L228 Q229	R201-K231 WeakPolarHBondContact CD-O 3.35Å; R201-K231 PolarHBondContact NH1-O 2.97Å; D227-K231 WeakPolarHBondContact O-CD 3.38Å; D227-K231 VanDerWaalsContact OD1-CE 3.27Å; D227-K231 WeakPolarHBondContact OD1-CE 3.45Å; D227-K231 IonicContact OD1-NZ 3.77Å; D227-K231 PolarHBondContact OD1-NZ 2.6Å; D227-K231 IonicContact OD2-NZ 2.76Å; D227-K231 PolarHBondContact OD2-NZ 2.98Å; L228-K231 CarbonylContact O-C 3.59Å; L228-K231 PolarHBondContact O-N 3.47Å; Q229-K231 VanDerWaalsContact C-N 3.31Å; Q229-K231 PolarHBondContact O-N 3.24Å
232	V	83.3	Confident	90.3	Very high	12 Å²	12	64.8 Å²	64.8	7%	0.073	32%	0.318	C	S	.	.			trans	-116.6	145.6	169.3	-76	0	0	0	0	110.4	L198 R201 L228 M234 V236 L265	L198-V232 HydrophobicContact CD2-CB 3.87Å; L198-V232 HydrophobicContact CD2-CG1 3.41Å; L198-V232 VanDerWaalsContact CD2-CG1 3.41Å; R201-V232 VanDerWaalsContact NH1-N 3.11Å; L228-V232 HydrophobicContact CB-CG2 4.33Å; L228-V232 WeakPolarHBondContact O-CG2 3.28Å; L228-V232 PolarHBondContact O-N 2.87Å; V232-M234 HydrophobicContact CB-CB 4.5Å; V232-M234 HydrophobicContact CG2-CB 4.2Å; V232-M234 PolarHBondContact O-N 2.75Å; V232-M234 VanDerWaalsContact O-N 3.14Å; V232-V236 HydrophobicContact CG2-CG2 3.82Å; V232-L265 HydrophobicContact CB-CD2 4.37Å; V232-L265 HydrophobicContact CG1-CD1 4.37Å; V232-L265 HydrophobicContact CG1-CD2 3.69Å; V232-L265 HydrophobicContact CG2-CD2 4.45Å
233	P	81	Confident	90.2	Very high	98 Å²	98	63.4 Å²	63.4	64%	0.636	31%	0.312	S	S	*	.	S	Bend	trans	-71.6	6	171.3	30.9	-38.1	0	0	0	114.3	L198	L198-P233 HydrophobicContact CD1-CG 4.24Å; L198-P233 HydrophobicContact CD2-CG 4.19Å; L198-P233 HydrophobicContact CG-CG 4.38Å
234	M	88.2	Confident	90	Very high	15 Å²	15	65.1 Å²	65.1	7%	0.074	32%	0.317	C	S	.	.	S	Bend	trans	-101	140.3	-179.3	-175.8	179.8	66.9	0	0	110.9	V232 V236 T264 L265 T271 V273	V232-M234 HydrophobicContact CB-CB 4.5Å; V232-M234 HydrophobicContact CG2-CB 4.2Å; V232-M234 PolarHBondContact O-N 2.75Å; V232-M234 VanDerWaalsContact O-N 3.14Å; M234-V236 HydrophobicContact CE-CG2 4.13Å; M234-V236 PolarHBondContact O-N 2.96Å; M234-V236 VanDerWaalsContact O-N 3.13Å; M234-T264 HydrophobicContact CE-CG2 4.05Å; M234-T264 HydrophobicContact SD-CG2 3.84Å; M234-L265 HydrophobicContact CE-CD2 3.33Å; M234-L265 HydrophobicContact CE-CG 4.15Å; M234-L265 HydrophobicContact SD-CD2 4.33Å; M234-T271 WeakPolarHBondContact CG-O 3.44Å; M234-V273 HydrophobicContact CE-CB 3.98Å; M234-V273 HydrophobicContact CE-CG1 3.55Å; M234-V273 HydrophobicContact SD-CB 4.45Å
235	K	93.9	Very high	90	Very high	135 Å²	135	65.4 Å²	65.4	59%	0.587	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	104.6	176.2	-173.9	176.1	-178.8	171.8	0	110.6	V237 T271 K272 V273	K235-V237 HydrophobicContact CD-CG2 4.25Å; K235-V237 HydrophobicContact CG-CG2 3.84Å; K235-T271 WeakPolarHBondContact CB-O 3.5Å; K235-T271 PolarHBondContact N-O 3.19Å; K235-K272 HydrophobicContact CB-CB 4.29Å; K235-K272 HydrophobicContact CB-CG 4.21Å; K235-K272 HydrophobicContact CD-CG 4.41Å; K235-K272 HydrophobicContact CG-CG 4.31Å; K235-K272 CarbonylContact O-C 3.58Å; K235-K272 WeakPolarHBondContact O-CA 3.27Å; K235-K272 WeakPolarHBondContact O-CG 3.32Å; K235-V273 PolarHBondContact O-N 3.18Å
236	V	95.2	Very high	89.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.8	174.5	-166.8	0	0	0	0	109	V225 L228 Q229 V232 M234 V273	V225-V236 HydrophobicContact CB-CG1 4.11Å; V225-V236 HydrophobicContact CG1-CB 4.09Å; V225-V236 HydrophobicContact CG1-CG1 3.59Å; V225-V236 HydrophobicContact CG2-CG1 3.83Å; L228-V236 HydrophobicContact CB-CG2 4.03Å; Q229-V236 HydrophobicContact CG-CB 4.15Å; Q229-V236 WeakPolarHBondContact CG-O 3.27Å; Q229-V236 PolarHBondContact NE2-O 3.28Å; V232-V236 HydrophobicContact CG2-CG2 3.82Å; M234-V236 HydrophobicContact CE-CG2 4.13Å; M234-V236 PolarHBondContact O-N 2.96Å; M234-V236 VanDerWaalsContact O-N 3.13Å; V236-V273 HydrophobicContact CB-CG1 4.04Å; V236-V273 HydrophobicContact CG1-CG1 3.63Å; V236-V273 HydrophobicContact CG2-CG1 3.97Å
237	V	96.7	Very high	89.4	Confident	44 Å²	44	71.2 Å²	71.2	27%	0.267	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	149.1	-179.4	-173.1	0	0	0	0	109.5	K235 V273 T274 V275	K235-V237 HydrophobicContact CD-CG2 4.25Å; K235-V237 HydrophobicContact CG-CG2 3.84Å; V237-V273 PolarHBondContact N-O 3.39Å; V237-T274 HydrophobicContact CB-CG2 4.46Å; V237-T274 CarbonylContact O-C 3.57Å; V237-T274 WeakPolarHBondContact O-CA 3.34Å; V237-V275 PolarHBondContact O-N 3.05Å
238	H	96.6	Very high	89.2	Confident	62 Å²	62	71.6 Å²	71.6	29%	0.287	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.5	174	70	76.5	0	0	0	112.2	V225 I240 V275	V225-H238 HydrophobicContact CB-CB 4.44Å; V225-H238 HydrophobicContact CG1-CB 4.31Å; V225-H238 HydrophobicContact CG2-CB 4.14Å; H238-I240 HydrophobicContact CB-CD1 4.33Å; H238-I240 HydrophobicContact CB-CG1 3.96Å; H238-V275 CarbonylContact C-O 3.57Å; H238-V275 WeakPolarHBondContact CA-O 3.48Å
239	E	97.3	Very high	89.3	Confident	109 Å²	109	72.6 Å²	72.6	51%	0.509	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	97.3	169.4	-171.1	171.8	167.1	0	0	108.1	V275 E276 L277 F278	E239-V275 PolarHBondContact N-O 2.9Å; E239-E276 HydrophobicContact CB-CG 4.34Å; E239-E276 CarbonylContact O-C 3.48Å; E239-E276 VanDerWaalsContact O-CA 3.24Å; E239-E276 WeakPolarHBondContact O-CA 3.16Å; E239-L277 PolarHBondContact O-N 2.74Å; E239-F278 HydrophobicContact CB-CZ 4.48Å; E239-F278 HydrophobicContact CG-CE1 4.05Å; E239-F278 HydrophobicContact CG-CZ 3.99Å
240	I	96.4	Very high	89.4	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.118	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.1	-167.4	-54	-60.4	0	0	0	108.1	I221 K222 H238 V275 L277	I221-I240 HydrophobicContact CB-CD1 4.39Å; I221-I240 HydrophobicContact CG2-CD1 3.74Å; I221-I240 HydrophobicContact CG2-CG1 4.28Å; K222-I240 HydrophobicContact CG-CG1 4.28Å; H238-I240 HydrophobicContact CB-CD1 4.33Å; H238-I240 HydrophobicContact CB-CG1 3.96Å; I240-V275 HydrophobicContact CD1-CG1 4.48Å; I240-L277 HydrophobicContact CD1-CB 3.57Å; I240-L277 HydrophobicContact CG2-CB 4.21Å; I240-L277 HydrophobicContact CG2-CD2 4.12Å
241	Q	94.7	Very high	89.6	Confident	85 Å²	85	63 Å²	63	40%	0.397	33%	0.326	S	S	.	.			trans	-68.2	142.6	170	-172.3	173.5	2.2	0	0	109.7	F243 L277 N279	Q241-F243 HydrophobicContact CB-CD1 4Å; Q241-F243 HydrophobicContact CB-CE1 4.14Å; Q241-F243 HydrophobicContact CG-CD1 4.12Å; Q241-F243 VanDerWaalsContact O-CD1 3.26Å; Q241-F243 WeakPolarHBondContact O-CD1 3.42Å; Q241-L277 WeakPolarHBondContact CB-O 3.22Å; Q241-L277 PolarHBondContact N-O 3.45Å; Q241-N279 PolarHBondContact OE1-O 3.28Å
242	D	90.2	Very high	90.2	Very high	141 Å²	141	59.6 Å²	59.6	75%	0.754	31%	0.312	S	S	*	.			trans	-87.8	114.1	177.2	-163.1	26.5	0	0	0	110
243	F	91.9	Very high	90.7	Very high	33 Å²	33	59 Å²	59	15%	0.145	31%	0.309	C	S	.	.			trans	-162.4	156.9	178.1	63.9	-78.9	0	0	0	110.6	Q241 V245 L277 N279 L284 L339	Q241-F243 HydrophobicContact CB-CD1 4Å; Q241-F243 HydrophobicContact CB-CE1 4.14Å; Q241-F243 HydrophobicContact CG-CD1 4.12Å; Q241-F243 VanDerWaalsContact O-CD1 3.26Å; Q241-F243 WeakPolarHBondContact O-CD1 3.42Å; F243-V245 HydrophobicContact CD2-CG2 3.87Å; F243-V245 HydrophobicContact CE2-CG2 3.44Å; F243-V245 VanDerWaalsContact CE2-CG2 3.44Å; F243-V245 HydrophobicContact CZ-CG2 4.05Å; F243-L277 HydrophobicContact CE1-CD2 4.11Å; F243-L277 HydrophobicContact CE1-CG 3.85Å; F243-L277 HydrophobicContact CZ-CD1 4.11Å; F243-L277 HydrophobicContact CZ-CD2 4.11Å; F243-L277 HydrophobicContact CZ-CG 3.8Å; F243-N279 HydrophobicContact CB-CB 4.21Å; F243-N279 HydrophobicContact CD1-CB 3.69Å; F243-N279 HydrophobicContact CD2-CB 3.89Å; F243-N279 HydrophobicContact CE1-CB 3.92Å; F243-N279 HydrophobicContact CE2-CB 4.11Å; F243-N279 HydrophobicContact CG-CB 3.67Å; F243-N279 HydrophobicContact CZ-CB 4.12Å; F243-L284 HydrophobicContact CE2-CB 3.93Å; F243-L284 HydrophobicContact CZ-CB 3.99Å; F243-L339 HydrophobicContact CD2-CD1 4.16Å; F243-L339 HydrophobicContact CE2-CD1 3.88Å
244	K	87	Confident	91.3	Very high	106 Å²	106	54.9 Å²	54.9	46%	0.461	28%	0.281	S	S	.	.			trans	-76.6	129.8	178.5	-166.6	176.2	-177.8	176.1	0	110.5	S344 D346	K244-S344 WeakPolarHBondContact CD-O 3.39Å; K244-D346 PolarHBondContact NZ-O 2.82Å
245	V	89.5	Confident	91.4	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	29%	0.291	C	S	.	.			trans	-114.1	132	175	-179.5	0	0	0	0	107.8	L217 F243 K247 I249 E250 L253 L284	L217-V245 HydrophobicContact CD2-CG1 4.29Å; L217-V245 HydrophobicContact CD2-CG2 4.34Å; F243-V245 HydrophobicContact CD2-CG2 3.87Å; F243-V245 HydrophobicContact CE2-CG2 3.44Å; F243-V245 VanDerWaalsContact CE2-CG2 3.44Å; F243-V245 HydrophobicContact CZ-CG2 4.05Å; V245-K247 PolarHBondContact O-N 3.3Å; V245-I249 HydrophobicContact CG1-CD1 3.72Å; V245-I249 HydrophobicContact CG1-CG1 3.46Å; V245-I249 VanDerWaalsContact CG1-CG1 3.46Å; V245-E250 HydrophobicContact CB-CG 3.86Å; V245-E250 HydrophobicContact CG1-CG 3.67Å; V245-L253 HydrophobicContact CG1-CD1 4.44Å; V245-L284 HydrophobicContact CG1-CD2 3.98Å; V245-L284 HydrophobicContact CG2-CD2 4.41Å
246	P	87.2	Confident	91.4	Very high	49 Å²	49	51.5 Å²	51.5	32%	0.318	26%	0.263	S	S	.	.			trans	-55.4	130.1	177.3	-27.4	34.4	0	0	0	112.5	G248 I249 E250 L339	P246-G248 PolarHBondContact O-N 2.87Å; P246-I249 HydrophobicContact CB-CG1 4.32Å; P246-I249 HydrophobicContact CG-CD1 4.38Å; P246-I249 VanDerWaalsContact O-CG1 3.28Å; P246-I249 WeakPolarHBondContact O-CG1 3.4Å; P246-I249 PolarHBondContact O-N 3Å; P246-E250 WeakPolarHBondContact O-CG 3.46Å; P246-E250 PolarHBondContact O-N 3.03Å; P246-L339 HydrophobicContact CG-CD2 4.4Å
247	K	83.3	Confident	91.3	Very high	143 Å²	143	51.4 Å²	51.4	62%	0.622	26%	0.263	S	S	*	.	H	α-helix	trans	-48.7	-36.4	-177.8	-73.7	-93.9	-179.2	-177.7	0	113.5	V245 I249 E250	V245-K247 PolarHBondContact O-N 3.3Å; K247-I249 VanDerWaalsContact C-N 3.26Å; K247-I249 PolarHBondContact O-N 3.48Å; K247-E250 PolarHBondContact O-N 2.87Å
248	G	82.1	Confident	91.1	Very high	59 Å²	59	49.9 Å²	49.9	61%	0.608	25%	0.253	S	S	*	.	H	α-helix	trans	-64.6	-23.8	-179.5	0	0	0	0	0	114.8	P246	P246-G248 PolarHBondContact O-N 2.87Å
249	I	90	Very high	90.8	Very high	23 Å²	23	48.4 Å²	48.4	12%	0.118	25%	0.246	C	C	.	.	H	α-helix	trans	-103.7	-18.9	179.9	71.5	176.6	0	0	0	113.1	V245 P246 K247 D251 H252 L253 L284 I317 A337 L339	V245-I249 HydrophobicContact CG1-CD1 3.72Å; V245-I249 HydrophobicContact CG1-CG1 3.46Å; V245-I249 VanDerWaalsContact CG1-CG1 3.46Å; P246-I249 HydrophobicContact CB-CG1 4.32Å; P246-I249 HydrophobicContact CG-CD1 4.38Å; P246-I249 VanDerWaalsContact O-CG1 3.28Å; P246-I249 WeakPolarHBondContact O-CG1 3.4Å; P246-I249 PolarHBondContact O-N 3Å; K247-I249 VanDerWaalsContact C-N 3.26Å; K247-I249 PolarHBondContact O-N 3.48Å; I249-D251 PolarHBondContact O-N 2.95Å; I249-H252 PolarHBondContact O-N 2.92Å; I249-L253 HydrophobicContact CD1-CD1 4.35Å; I249-L253 HydrophobicContact CG1-CD1 4.26Å; I249-L253 WeakPolarHBondContact O-CG 3.25Å; I249-L253 PolarHBondContact O-N 2.88Å; I249-L253 VanDerWaalsContact O-N 3.1Å; I249-L284 HydrophobicContact CD1-CD2 3.6Å; I249-I317 HydrophobicContact CB-CB 4.33Å; I249-I317 HydrophobicContact CB-CD1 4.13Å; I249-I317 HydrophobicContact CB-CG2 4.31Å; I249-I317 HydrophobicContact CG2-CB 3.87Å; I249-I317 HydrophobicContact CG2-CD1 4.49Å; I249-I317 HydrophobicContact CG2-CG2 4.06Å; I249-A337 HydrophobicContact CD1-CB 4.35Å; I249-L339 HydrophobicContact CD1-CD2 4.48Å
250	E	91.6	Very high	90.7	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.056	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-45.6	-176.6	-67.3	-168.4	122	0	0	113.1	L212 S216 L217 V245 P246 K247 H252 L253 F254	L212-E250 HydrophobicContact CD1-CB 3.47Å; L212-E250 VanDerWaalsContact CD1-CB 3.47Å; L212-E250 HydrophobicContact CD1-CG 4.17Å; S216-E250 WeakPolarHBondContact CA-OE1 3.48Å; L217-E250 HydrophobicContact CB-CB 4.29Å; L217-E250 HydrophobicContact CB-CG 4.08Å; L217-E250 PolarHBondContact N-OE1 2.84Å; V245-E250 HydrophobicContact CB-CG 3.86Å; V245-E250 HydrophobicContact CG1-CG 3.67Å; P246-E250 WeakPolarHBondContact O-CG 3.46Å; P246-E250 PolarHBondContact O-N 3.03Å; K247-E250 PolarHBondContact O-N 2.87Å; E250-H252 PolarHBondContact O-N 3.36Å; E250-L253 PolarHBondContact O-N 3.43Å; E250-F254 VanDerWaalsContact O-CB 3.28Å; E250-F254 WeakPolarHBondContact O-CB 3.5Å; E250-F254 PolarHBondContact O-N 3.36Å
251	D	87.6	Confident	90.5	Very high	51 Å²	51	42.2 Å²	42.2	27%	0.273	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-39.6	-178.8	-168.9	67.2	0	0	0	111.8	I249 F254 R255	I249-D251 PolarHBondContact O-N 2.95Å; D251-F254 PolarHBondContact O-N 3Å; D251-R255 WeakPolarHBondContact O-CB 3.32Å; D251-R255 VanDerWaalsContact O-CG 3.26Å; D251-R255 WeakPolarHBondContact O-CG 3.24Å; D251-R255 PolarHBondContact O-N 3.13Å; D251-R255 IonicContact OD1-NE 3.13Å; D251-R255 IonicContact OD1-NH2 3.92Å; D251-R255 IonicContact OD2-CZ 3.26Å; D251-R255 IonicContact OD2-NE 2.95Å; D251-R255 PolarHBondContact OD2-NE 3.49Å; D251-R255 IonicContact OD2-NH2 2.82Å; D251-R255 PolarHBondContact OD2-NH2 2.87Å
252	H	90.6	Very high	90.3	Very high	40 Å²	40	38.1 Å²	38.1	19%	0.185	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-47.4	177.1	-70.7	-97.6	0	0	0	111.3	I249 E250 R255 I256 E316 I317	I249-H252 PolarHBondContact O-N 2.92Å; E250-H252 PolarHBondContact O-N 3.36Å; H252-R255 PolarHBondContact O-N 2.86Å; H252-I256 VanDerWaalsContact O-CG1 3.27Å; H252-I256 WeakPolarHBondContact O-CG1 3.48Å; H252-I256 PolarHBondContact O-N 3.21Å; H252-E316 IonicContact CE1-OE2 2.96Å; H252-E316 PolarHBondContact CE1-OE2 2.92Å; H252-E316 IonicContact ND1-OE2 2.8Å; H252-E316 PolarHBondContact ND1-OE2 2.93Å; H252-I317 HydrophobicContact CB-CD1 4.15Å; H252-I317 HydrophobicContact CB-CG2 3.67Å; H252-I317 VanDerWaalsContact CD2-CG2 3.45Å; H252-I317 WeakPolarHBondContact CD2-CG2 3.49Å; H252-I317 VanDerWaalsContact CG-CG2 3.41Å
253	L	94.3	Very high	90.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-38.2	178.5	-67.7	172.9	0	0	0	112.2	L217 V245 I249 E250 I256 T257 L284 L286 I317 V335	L217-L253 HydrophobicContact CD1-CB 4.06Å; L217-L253 HydrophobicContact CD2-CB 3.73Å; L217-L253 HydrophobicContact CD2-CD1 3.64Å; L217-L253 HydrophobicContact CD2-CG 4.35Å; V245-L253 HydrophobicContact CG1-CD1 4.44Å; I249-L253 HydrophobicContact CD1-CD1 4.35Å; I249-L253 HydrophobicContact CG1-CD1 4.26Å; I249-L253 WeakPolarHBondContact O-CG 3.25Å; I249-L253 PolarHBondContact O-N 2.88Å; I249-L253 VanDerWaalsContact O-N 3.1Å; E250-L253 PolarHBondContact O-N 3.43Å; L253-I256 PolarHBondContact O-N 2.66Å; L253-T257 PolarHBondContact O-N 2.92Å; L253-T257 PolarHBondContact O-OG1 2.56Å; L253-L284 HydrophobicContact CD1-CD1 3.61Å; L253-L284 HydrophobicContact CD1-CD2 3.79Å; L253-L284 HydrophobicContact CD1-CG 4.37Å; L253-L284 HydrophobicContact CD2-CD1 4.3Å; L253-L286 HydrophobicContact CB-CD2 4.31Å; L253-L286 HydrophobicContact CD2-CD2 4.04Å; L253-I317 HydrophobicContact CD2-CD1 3.95Å; L253-I317 HydrophobicContact CG-CD1 4.01Å; L253-V335 HydrophobicContact CD2-CB 4.39Å; L253-V335 HydrophobicContact CD2-CG1 3.75Å
254	F	92.3	Very high	90.4	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.048	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-44.4	176	-171.9	-113	0	0	0	111.3	L212 L217 G220 I221 L224 E250 D251 I256 T257 Q258	L212-F254 HydrophobicContact CD2-CB 4.37Å; L212-F254 HydrophobicContact CD2-CD1 4.34Å; L212-F254 HydrophobicContact CD2-CD2 3.84Å; L212-F254 HydrophobicContact CD2-CE2 4.22Å; L212-F254 HydrophobicContact CD2-CG 3.92Å; L212-F254 HydrophobicContact CG-CG 4.46Å; L217-F254 HydrophobicContact CD1-CB 3.82Å; L217-F254 HydrophobicContact CD1-CD2 4.33Å; G220-F254 WeakPolarHBondContact O-CE2 3.44Å; I221-F254 HydrophobicContact CG1-CD2 4.21Å; L224-F254 HydrophobicContact CB-CE2 4.49Å; L224-F254 HydrophobicContact CD2-CE2 4.26Å; L224-F254 HydrophobicContact CD2-CZ 4.47Å; E250-F254 VanDerWaalsContact O-CB 3.28Å; E250-F254 WeakPolarHBondContact O-CB 3.5Å; E250-F254 PolarHBondContact O-N 3.36Å; D251-F254 PolarHBondContact O-N 3Å; F254-I256 PolarHBondContact O-N 3.26Å; F254-T257 WeakPolarHBondContact O-CB 3.48Å; F254-T257 PolarHBondContact O-N 3.18Å; F254-T257 VanDerWaalsContact O-N 3.15Å; F254-Q258 HydrophobicContact CD1-CG 4.41Å; F254-Q258 HydrophobicContact CE1-CG 4.11Å; F254-Q258 HydrophobicContact CZ-CG 4.26Å; F254-Q258 WeakPolarHBondContact O-CG 3.39Å; F254-Q258 PolarHBondContact O-N 2.95Å
255	R	90.1	Very high	90.5	Very high	79 Å²	79	27.1 Å²	27.1	30%	0.298	15%	0.146	S	C	.	.	H	α-helix	trans	-62.3	-42.2	175.1	-73.8	178.9	-170.1	-77.5	-5.7	112.8	D251 H252 T257 Q258 E259 R313	D251-R255 WeakPolarHBondContact O-CB 3.32Å; D251-R255 VanDerWaalsContact O-CG 3.26Å; D251-R255 WeakPolarHBondContact O-CG 3.24Å; D251-R255 PolarHBondContact O-N 3.13Å; D251-R255 IonicContact OD1-NE 3.13Å; D251-R255 IonicContact OD1-NH2 3.92Å; D251-R255 IonicContact OD2-CZ 3.26Å; D251-R255 IonicContact OD2-NE 2.95Å; D251-R255 PolarHBondContact OD2-NE 3.49Å; D251-R255 IonicContact OD2-NH2 2.82Å; D251-R255 PolarHBondContact OD2-NH2 2.87Å; H252-R255 PolarHBondContact O-N 2.86Å; R255-T257 VanDerWaalsContact C-N 3.27Å; R255-T257 PolarHBondContact O-N 3.06Å; R255-Q258 PolarHBondContact O-N 2.82Å; R255-E259 WeakPolarHBondContact O-CB 3.47Å; R255-E259 PolarHBondContact O-N 2.87Å; R255-R313 VanDerWaalsContact CD-CZ 3.49Å
256	I	94.1	Very high	90.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-42.5	174.1	-69.7	164	0	0	0	110.2	H252 L253 F254 E259 A260 L286 M310 R313 A314 V335	H252-I256 VanDerWaalsContact O-CG1 3.27Å; H252-I256 WeakPolarHBondContact O-CG1 3.48Å; H252-I256 PolarHBondContact O-N 3.21Å; L253-I256 PolarHBondContact O-N 2.66Å; F254-I256 PolarHBondContact O-N 3.26Å; I256-E259 PolarHBondContact O-N 2.83Å; I256-A260 VanDerWaalsContact O-CB 3.26Å; I256-A260 WeakPolarHBondContact O-CB 3.33Å; I256-A260 PolarHBondContact O-N 2.98Å; I256-L286 HydrophobicContact CG2-CD2 4.36Å; I256-M310 HydrophobicContact CG1-CB 4.3Å; I256-M310 HydrophobicContact CG1-CG 4.34Å; I256-M310 HydrophobicContact CG2-CB 4.46Å; I256-M310 HydrophobicContact CG2-CG 4.28Å; I256-M310 HydrophobicContact CG2-SD 4.02Å; I256-R313 HydrophobicContact CD1-CB 4.12Å; I256-R313 HydrophobicContact CG1-CB 4.19Å; I256-A314 HydrophobicContact CD1-CB 4.11Å; I256-V335 HydrophobicContact CD1-CG2 4.37Å; I256-V335 HydrophobicContact CG2-CG2 4.05Å
257	T	94.6	Very high	90.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-45.3	176.8	-55	0	0	0	0	111.7	I221 L224 L253 F254 R255 A260 I261 V275 L286	I221-T257 HydrophobicContact CD1-CG2 4.37Å; I221-T257 HydrophobicContact CG1-CG2 4.17Å; L224-T257 HydrophobicContact CD2-CG2 4.47Å; L253-T257 PolarHBondContact O-N 2.92Å; L253-T257 PolarHBondContact O-OG1 2.56Å; F254-T257 WeakPolarHBondContact O-CB 3.48Å; F254-T257 PolarHBondContact O-N 3.18Å; F254-T257 VanDerWaalsContact O-N 3.15Å; R255-T257 VanDerWaalsContact C-N 3.27Å; R255-T257 PolarHBondContact O-N 3.06Å; T257-A260 PolarHBondContact O-N 3.49Å; T257-I261 HydrophobicContact CG2-CD1 3.8Å; T257-I261 HydrophobicContact CG2-CG1 4.47Å; T257-I261 WeakPolarHBondContact O-CB 3.27Å; T257-I261 VanDerWaalsContact O-CG1 3.26Å; T257-I261 WeakPolarHBondContact O-CG1 3.48Å; T257-I261 PolarHBondContact O-N 3.41Å; T257-V275 HydrophobicContact CG2-CG1 3.92Å; T257-L286 WeakPolarHBondContact OG1-CD2 3.47Å
258	Q	91.7	Very high	90.8	Very high	13 Å²	13	25.4 Å²	25.4	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-46.2	177.5	-70.3	-179.6	-67	0	0	112	L205 L224 F254 R255 S262	L205-Q258 PolarHBondContact O-NE2 3.3Å; L224-Q258 HydrophobicContact CD2-CG 4Å; F254-Q258 HydrophobicContact CD1-CG 4.41Å; F254-Q258 HydrophobicContact CE1-CG 4.11Å; F254-Q258 HydrophobicContact CZ-CG 4.26Å; F254-Q258 WeakPolarHBondContact O-CG 3.39Å; F254-Q258 PolarHBondContact O-N 2.95Å; R255-Q258 PolarHBondContact O-N 2.82Å; Q258-S262 VanDerWaalsContact O-CB 3.23Å; Q258-S262 WeakPolarHBondContact O-CB 3.47Å; Q258-S262 PolarHBondContact O-N 3Å
259	E	90.9	Very high	91	Very high	30 Å²	30	28.8 Å²	28.8	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-63.5	-45.8	178.8	-176	62.3	-141.8	0	0	111.2	H206 R255 I256 S262 N263 G306 M310	H206-E259 IonicContact CD2-OE2 3.31Å; H206-E259 PolarHBondContact CD2-OE2 3.14Å; H206-E259 IonicContact NE2-OE1 3.49Å; H206-E259 IonicContact NE2-OE2 3.75Å; H206-E259 PolarHBondContact NE2-OE2 3.2Å; R255-E259 WeakPolarHBondContact O-CB 3.47Å; R255-E259 PolarHBondContact O-N 2.87Å; I256-E259 PolarHBondContact O-N 2.83Å; E259-S262 PolarHBondContact O-N 2.94Å; E259-N263 WeakPolarHBondContact O-CB 3.31Å; E259-N263 PolarHBondContact O-N 2.79Å; E259-N263 PolarHBondContact O-ND2 2.98Å; E259-N263 PolarHBondContact OE1-ND2 3.19Å; E259-G306 WeakPolarHBondContact OE1-CA 3.27Å; E259-M310 HydrophobicContact CB-CG 3.85Å; E259-M310 HydrophobicContact CB-SD 3.82Å; E259-M310 HydrophobicContact CG-CE 4.02Å; E259-M310 HydrophobicContact CG-CG 3.52Å; E259-M310 HydrophobicContact CG-SD 3.67Å
260	A	94.3	Very high	91.1	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-49.5	177.6	0	0	0	0	0	111.7	I256 T257 S262 N263 T264 I288 M310 I333	I256-A260 VanDerWaalsContact O-CB 3.26Å; I256-A260 WeakPolarHBondContact O-CB 3.33Å; I256-A260 PolarHBondContact O-N 2.98Å; T257-A260 PolarHBondContact O-N 3.49Å; A260-S262 VanDerWaalsContact C-N 3.33Å; A260-S262 PolarHBondContact O-N 3.46Å; A260-N263 PolarHBondContact O-N 3.42Å; A260-T264 PolarHBondContact O-N 3.24Å; A260-T264 PolarHBondContact O-OG1 2.91Å; A260-I288 HydrophobicContact CB-CB 4.06Å; A260-I288 HydrophobicContact CB-CD1 4.09Å; A260-I288 HydrophobicContact CB-CG1 4.06Å; A260-I288 HydrophobicContact CB-CG2 3.97Å; A260-M310 HydrophobicContact CB-SD 4.1Å; A260-I333 HydrophobicContact CB-CD1 3.95Å
261	I	93.3	Very high	91.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-43.4	177	-68.7	169.6	0	0	0	110.7	L205 L224 L228 T257 N263 T264 L265 V275	L205-I261 HydrophobicContact CD1-CG2 4.01Å; L224-I261 HydrophobicContact CD2-CD1 3.8Å; L224-I261 HydrophobicContact CG-CD1 4.35Å; L228-I261 HydrophobicContact CD1-CD1 4.26Å; L228-I261 HydrophobicContact CD1-CG2 3.57Å; T257-I261 HydrophobicContact CG2-CD1 3.8Å; T257-I261 HydrophobicContact CG2-CG1 4.47Å; T257-I261 WeakPolarHBondContact O-CB 3.27Å; T257-I261 VanDerWaalsContact O-CG1 3.26Å; T257-I261 WeakPolarHBondContact O-CG1 3.48Å; T257-I261 PolarHBondContact O-N 3.41Å; I261-N263 VanDerWaalsContact C-N 3.3Å; I261-N263 PolarHBondContact O-N 3.46Å; I261-T264 WeakPolarHBondContact O-CB 3.27Å; I261-T264 PolarHBondContact O-N 3.27Å; I261-L265 HydrophobicContact CG2-CD1 4.17Å; I261-L265 HydrophobicContact CG2-CG 4.34Å; I261-L265 WeakPolarHBondContact O-CG 3.34Å; I261-L265 PolarHBondContact O-N 2.98Å; I261-V275 HydrophobicContact CD1-CG2 3.94Å; I261-V275 HydrophobicContact CG1-CG2 4.19Å
262	S	89.2	Confident	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-42	178	-176.5	0	0	0	0	111.8	A202 H206 Q258 E259 A260 L265 R266	A202-S262 WeakPolarHBondContact CB-OG 3.44Å; A202-S262 PolarHBondContact O-OG 3.09Å; A202-S262 VanDerWaalsContact O-OG 3.07Å; H206-S262 PolarHBondContact CE1-OG 3.28Å; H206-S262 PolarHBondContact ND1-OG 2.98Å; Q258-S262 VanDerWaalsContact O-CB 3.23Å; Q258-S262 WeakPolarHBondContact O-CB 3.47Å; Q258-S262 PolarHBondContact O-N 3Å; E259-S262 PolarHBondContact O-N 2.94Å; A260-S262 VanDerWaalsContact C-N 3.33Å; A260-S262 PolarHBondContact O-N 3.46Å; S262-L265 PolarHBondContact O-N 2.91Å; S262-R266 WeakPolarHBondContact O-CG 3.35Å; S262-R266 PolarHBondContact O-N 3.46Å
263	N	90.8	Very high	91.9	Very high	28 Å²	28	32.2 Å²	32.2	15%	0.15	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-40.7	175.7	-76	-41.8	0	0	0	111.7	E259 A260 I261 L265 R266 H267	E259-N263 WeakPolarHBondContact O-CB 3.31Å; E259-N263 PolarHBondContact O-N 2.79Å; E259-N263 PolarHBondContact O-ND2 2.98Å; E259-N263 PolarHBondContact OE1-ND2 3.19Å; A260-N263 PolarHBondContact O-N 3.42Å; I261-N263 VanDerWaalsContact C-N 3.3Å; I261-N263 PolarHBondContact O-N 3.46Å; N263-L265 PolarHBondContact O-N 3.25Å; N263-R266 PolarHBondContact O-N 2.94Å; N263-H267 WeakPolarHBondContact O-CB 3.38Å; N263-H267 PolarHBondContact O-N 3.3Å
264	T	93.1	Very high	92.1	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.043	17%	0.168	C	C	.	.	I	π-helix	trans	-58.8	-47.3	172.2	-59.8	0	0	0	0	111.1	M234 A260 I261 R266 S268 V273 D290	M234-T264 HydrophobicContact CE-CG2 4.05Å; M234-T264 HydrophobicContact SD-CG2 3.84Å; A260-T264 PolarHBondContact O-N 3.24Å; A260-T264 PolarHBondContact O-OG1 2.91Å; I261-T264 WeakPolarHBondContact O-CB 3.27Å; I261-T264 PolarHBondContact O-N 3.27Å; T264-R266 VanDerWaalsContact C-N 3.32Å; T264-R266 PolarHBondContact O-N 3.32Å; T264-S268 WeakPolarHBondContact CG2-OG 3.49Å; T264-S268 WeakPolarHBondContact O-CB 3.44Å; T264-S268 PolarHBondContact O-N 3.07Å; T264-S268 PolarHBondContact O-OG 3Å; T264-V273 HydrophobicContact CG2-CB 3.98Å; T264-V273 HydrophobicContact CG2-CG2 4.03Å; T264-D290 HydrophobicContact CG2-CB 3.46Å; T264-D290 VanDerWaalsContact CG2-CB 3.46Å; T264-D290 PolarHBondContact OG1-OD1 3.48Å
265	L	89.4	Confident	92.3	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	17%	0.166	C	C	.	.	I	π-helix	trans	-61.1	-37	179.9	-70.2	176.8	0	0	0	113.3	L198 A202 L205 L228 V232 M234 I261 S262 N263	L198-L265 HydrophobicContact CD2-CD2 4.06Å; A202-L265 HydrophobicContact CB-CB 4.08Å; A202-L265 HydrophobicContact CB-CD1 4.47Å; L205-L265 HydrophobicContact CD1-CD1 3.94Å; L228-L265 HydrophobicContact CD2-CD1 4.25Å; V232-L265 HydrophobicContact CB-CD2 4.37Å; V232-L265 HydrophobicContact CG1-CD1 4.37Å; V232-L265 HydrophobicContact CG1-CD2 3.69Å; V232-L265 HydrophobicContact CG2-CD2 4.45Å; M234-L265 HydrophobicContact CE-CD2 3.33Å; M234-L265 HydrophobicContact CE-CG 4.15Å; M234-L265 HydrophobicContact SD-CD2 4.33Å; I261-L265 HydrophobicContact CG2-CD1 4.17Å; I261-L265 HydrophobicContact CG2-CG 4.34Å; I261-L265 WeakPolarHBondContact O-CG 3.34Å; I261-L265 PolarHBondContact O-N 2.98Å; S262-L265 PolarHBondContact O-N 2.91Å; N263-L265 PolarHBondContact O-N 3.25Å
266	R	87	Confident	92.7	Very high	65 Å²	65	30.3 Å²	30.3	25%	0.245	16%	0.158	C	C	.	.	I	π-helix	trans	-84.5	-33.2	-178.5	-69.2	-178.9	-176.4	154.6	3.4	114.4	A202 L203 H206 S262 N263 T264	A202-R266 HydrophobicContact CB-CG 3.49Å; A202-R266 VanDerWaalsContact CB-CG 3.49Å; A202-R266 PolarHBondContact O-NH2 2.96Å; L203-R266 VanDerWaalsContact CA-NH2 3.28Å; H206-R266 VanDerWaalsContact CE1-CZ 3.49Å; H206-R266 PolarHBondContact CE1-NH1 3.24Å; H206-R266 VanDerWaalsContact CE1-NH1 3.28Å; H206-R266 PolarHBondContact CE1-NH2 3.04Å; H206-R266 PolarHBondContact ND1-NH2 3.29Å; S262-R266 WeakPolarHBondContact O-CG 3.35Å; S262-R266 PolarHBondContact O-N 3.46Å; N263-R266 PolarHBondContact O-N 2.94Å; T264-R266 VanDerWaalsContact C-N 3.32Å; T264-R266 PolarHBondContact O-N 3.32Å
267	H	88.5	Confident	92.9	Very high	91 Å²	91	30.4 Å²	30.4	42%	0.421	16%	0.158	S	C	.	.	I	π-helix	trans	-126.6	-21.5	-160.1	-57.4	-43.7	0	0	0	114.4	N263 N269 K293	N263-H267 WeakPolarHBondContact O-CB 3.38Å; N263-H267 PolarHBondContact O-N 3.3Å; H267-N269 PolarHBondContact O-N 3.42Å; H267-K293 WeakPolarHBondContact O-CE 3.4Å; H267-K293 PolarHBondContact O-NZ 2.62Å
268	S	90.8	Very high	93	Very high	8 Å²	8	32.1 Å²	32.1	6%	0.056	17%	0.166	C	C	.	.	I	π-helix	trans	-69.3	-35.8	-173.4	71.7	0	0	0	0	112.6	T264 G270 G292 K293	T264-S268 WeakPolarHBondContact CG2-OG 3.49Å; T264-S268 WeakPolarHBondContact O-CB 3.44Å; T264-S268 PolarHBondContact O-N 3.07Å; T264-S268 PolarHBondContact O-OG 3Å; S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.09Å; S268-G270 PolarHBondContact OG-N 3.42Å; S268-G292 CarbonylContact O-C 3.45Å; S268-G292 WeakPolarHBondContact O-CA 3.33Å; S268-K293 PolarHBondContact O-N 3.41Å
269	N	87.7	Confident	93.1	Very high	131 Å²	131	34.1 Å²	34.1	70%	0.701	18%	0.177	S	C	*	.			trans	49.9	22.2	-161.9	-63	-11.5	0	0	0	112.7	H267	H267-N269 PolarHBondContact O-N 3.42Å
270	G	90.3	Very high	93.1	Very high	18 Å²	18	36.9 Å²	36.9	19%	0.186	19%	0.189	C	C	.	.			trans	-85.2	169.2	-179.5	0	0	0	0	0	112.1	S268	S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.09Å; S268-G270 PolarHBondContact OG-N 3.42Å
271	T	93.4	Very high	92.6	Very high	101 Å²	101	42.1 Å²	42.1	62%	0.62	22%	0.216	S	C	*	.	S	Bend	trans	-104.6	-11.7	179.8	55.7	0	0	0	0	112.9	M234 K235 N291	M234-T271 WeakPolarHBondContact CG-O 3.44Å; K235-T271 WeakPolarHBondContact CB-O 3.5Å; K235-T271 PolarHBondContact N-O 3.19Å; T271-N291 PolarHBondContact N-OD1 3.45Å; T271-N291 PolarHBondContact OG1-ND2 2.93Å
272	K	96.5	Very high	92.3	Very high	78 Å²	78	48 Å²	48	34%	0.339	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.1	-176.2	-173	-172.5	175.7	-159.6	0	112	K235 T274 D290 N291	K235-K272 HydrophobicContact CB-CB 4.29Å; K235-K272 HydrophobicContact CB-CG 4.21Å; K235-K272 HydrophobicContact CD-CG 4.41Å; K235-K272 HydrophobicContact CG-CG 4.31Å; K235-K272 CarbonylContact O-C 3.58Å; K235-K272 WeakPolarHBondContact O-CA 3.27Å; K235-K272 WeakPolarHBondContact O-CG 3.32Å; K272-T274 VanDerWaalsContact CE-OG1 3.25Å; K272-T274 WeakPolarHBondContact CE-OG1 3.45Å; K272-T274 PolarHBondContact NZ-OG1 3.49Å; K272-D290 WeakPolarHBondContact O-CA 3.47Å; K272-N291 PolarHBondContact N-OD1 3.42Å; K272-N291 PolarHBondContact O-N 3.21Å; K272-N291 PolarHBondContact O-OD1 2.89Å; K272-N291 VanDerWaalsContact O-OD1 3.05Å
273	V	97.3	Very high	92.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.5	163	72.3	0	0	0	0	109.8	M234 K235 V236 V237 T264 I288 Q289 D290	M234-V273 HydrophobicContact CE-CB 3.98Å; M234-V273 HydrophobicContact CE-CG1 3.55Å; M234-V273 HydrophobicContact SD-CB 4.45Å; K235-V273 PolarHBondContact O-N 3.18Å; V236-V273 HydrophobicContact CB-CG1 4.04Å; V236-V273 HydrophobicContact CG1-CG1 3.63Å; V236-V273 HydrophobicContact CG2-CG1 3.97Å; V237-V273 PolarHBondContact N-O 3.39Å; T264-V273 HydrophobicContact CG2-CB 3.98Å; T264-V273 HydrophobicContact CG2-CG2 4.03Å; V273-I288 HydrophobicContact CG2-CG2 3.89Å; V273-Q289 CarbonylContact C-O 3.54Å; V273-Q289 WeakPolarHBondContact CA-O 3.42Å; V273-D290 HydrophobicContact CG2-CB 4.35Å
274	T	98.1	Very high	92.7	Very high	21 Å²	21	50.6 Å²	50.6	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.5	179	-45.9	0	0	0	0	108.8	V237 K272 E276 I288 Q289	V237-T274 HydrophobicContact CB-CG2 4.46Å; V237-T274 CarbonylContact O-C 3.57Å; V237-T274 WeakPolarHBondContact O-CA 3.34Å; K272-T274 VanDerWaalsContact CE-OG1 3.25Å; K272-T274 WeakPolarHBondContact CE-OG1 3.45Å; K272-T274 PolarHBondContact NZ-OG1 3.49Å; T274-E276 HydrophobicContact CG2-CG 3.96Å; T274-I288 WeakPolarHBondContact O-CA 3.35Å; T274-Q289 PolarHBondContact N-O 3.31Å; T274-Q289 PolarHBondContact O-N 3.41Å
275	V	98.1	Very high	92.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.7	177	-175.2	0	0	0	0	108.8	I221 V225 V237 H238 E239 I240 T257 I261 L286 R287 I288	I221-V275 HydrophobicContact CG2-CB 4.34Å; I221-V275 HydrophobicContact CG2-CG1 3.63Å; V225-V275 HydrophobicContact CG2-CG2 4.43Å; V237-V275 PolarHBondContact O-N 3.05Å; H238-V275 CarbonylContact C-O 3.57Å; H238-V275 WeakPolarHBondContact CA-O 3.48Å; E239-V275 PolarHBondContact N-O 2.9Å; I240-V275 HydrophobicContact CD1-CG1 4.48Å; T257-V275 HydrophobicContact CG2-CG1 3.92Å; I261-V275 HydrophobicContact CD1-CG2 3.94Å; I261-V275 HydrophobicContact CG1-CG2 4.19Å; V275-L286 HydrophobicContact CG1-CD1 4.31Å; V275-R287 CarbonylContact C-O 3.58Å; V275-R287 WeakPolarHBondContact CA-O 3.41Å; V275-I288 HydrophobicContact CG1-CG1 4.3Å; V275-I288 HydrophobicContact CG2-CG1 4.47Å; V275-I288 HydrophobicContact CG2-CG2 4.41Å
276	E	98.2	Very high	93.2	Very high	29 Å²	29	50.2 Å²	50.2	14%	0.136	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.6	-176.8	-47.8	177.5	146.1	0	0	110	E239 T274 F278 L286 R287	E239-E276 HydrophobicContact CB-CG 4.34Å; E239-E276 CarbonylContact O-C 3.48Å; E239-E276 VanDerWaalsContact O-CA 3.24Å; E239-E276 WeakPolarHBondContact O-CA 3.16Å; T274-E276 HydrophobicContact CG2-CG 3.96Å; E276-F278 HydrophobicContact CB-CD2 4.11Å; E276-F278 HydrophobicContact CB-CE2 3.51Å; E276-F278 HydrophobicContact CB-CZ 4.12Å; E276-F278 HydrophobicContact CG-CE2 4.21Å; E276-L286 CarbonylContact O-C 3.26Å; E276-L286 WeakPolarHBondContact O-CA 3.41Å; E276-R287 HydrophobicContact CB-CB 4.24Å; E276-R287 PolarHBondContact N-O 3.25Å; E276-R287 PolarHBondContact O-N 3.35Å; E276-R287 VanDerWaalsContact OE2-CD 3.24Å; E276-R287 WeakPolarHBondContact OE2-CD 3.33Å; E276-R287 IonicContact OE2-CZ 3.9Å; E276-R287 IonicContact OE2-NE 3.22Å; E276-R287 IonicContact OE2-NH1 3.38Å; E276-R287 PolarHBondContact OE2-NH1 3.5Å
277	L	97.8	Very high	93.8	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	113.4	175.3	-177.6	68.9	0	0	0	108.7	L217 I221 E239 I240 Q241 F243 L284 L285 L286	L217-L277 HydrophobicContact CD2-CD1 4.15Å; L217-L277 HydrophobicContact CD2-CD2 3.94Å; L217-L277 HydrophobicContact CG-CD2 4.07Å; I221-L277 HydrophobicContact CD1-CD2 4.47Å; E239-L277 PolarHBondContact O-N 2.74Å; I240-L277 HydrophobicContact CD1-CB 3.57Å; I240-L277 HydrophobicContact CG2-CB 4.21Å; I240-L277 HydrophobicContact CG2-CD2 4.12Å; Q241-L277 WeakPolarHBondContact CB-O 3.22Å; Q241-L277 PolarHBondContact N-O 3.45Å; F243-L277 HydrophobicContact CE1-CD2 4.11Å; F243-L277 HydrophobicContact CE1-CG 3.85Å; F243-L277 HydrophobicContact CZ-CD1 4.11Å; F243-L277 HydrophobicContact CZ-CD2 4.11Å; F243-L277 HydrophobicContact CZ-CG 3.8Å; L277-L284 HydrophobicContact CD1-CD1 4.24Å; L277-L285 WeakPolarHBondContact CA-O 3.31Å; L277-L286 HydrophobicContact CD1-CB 4.2Å; L277-L286 HydrophobicContact CD1-CD1 4.37Å
278	F	96.5	Very high	94.2	Very high	36 Å²	36	45.7 Å²	45.7	16%	0.158	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144	-176.9	-63.4	-68.3	0	0	0	111.7	E239 E276 L284 L285	E239-F278 HydrophobicContact CB-CZ 4.48Å; E239-F278 HydrophobicContact CG-CE1 4.05Å; E239-F278 HydrophobicContact CG-CZ 3.99Å; E276-F278 HydrophobicContact CB-CD2 4.11Å; E276-F278 HydrophobicContact CB-CE2 3.51Å; E276-F278 HydrophobicContact CB-CZ 4.12Å; E276-F278 HydrophobicContact CG-CE2 4.21Å; F278-L284 CarbonylContact O-C 3.59Å; F278-L284 WeakPolarHBondContact O-CA 3.4Å; F278-L285 HydrophobicContact CB-CB 4.5Å; F278-L285 PolarHBondContact N-O 2.92Å; F278-L285 PolarHBondContact O-N 3.32Å
279	N	94	Very high	94.6	Very high	55 Å²	55	49.2 Å²	49.2	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.6	167	-169.3	3.1	0	0	0	109	Q241 F243 L339	Q241-N279 PolarHBondContact OE1-O 3.28Å; F243-N279 HydrophobicContact CB-CB 4.21Å; F243-N279 HydrophobicContact CD1-CB 3.69Å; F243-N279 HydrophobicContact CD2-CB 3.89Å; F243-N279 HydrophobicContact CE1-CB 3.92Å; F243-N279 HydrophobicContact CE2-CB 4.11Å; F243-N279 HydrophobicContact CG-CB 3.67Å; F243-N279 HydrophobicContact CZ-CB 4.12Å; N279-L339 WeakPolarHBondContact OD1-CD1 3.44Å
280	K	91.1	Very high	95	Very high	89 Å²	89	43.6 Å²	43.6	39%	0.387	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	165.2	171.1	-56.9	-61.6	-179.3	-170	0	108.3	D282 Y283	K280-D282 VanDerWaalsContact C-N 3.26Å; K280-D282 PolarHBondContact O-N 2.98Å; K280-Y283 CarbonylContact C-O 3.58Å; K280-Y283 WeakPolarHBondContact CA-O 3.32Å; K280-Y283 HydrophobicContact CB-CD1 4.06Å; K280-Y283 HydrophobicContact CB-CD2 4.15Å; K280-Y283 HydrophobicContact CB-CE1 3.77Å; K280-Y283 HydrophobicContact CB-CE2 3.87Å; K280-Y283 HydrophobicContact CB-CG 4.24Å; K280-Y283 VanDerWaalsContact CB-O 3.28Å; K280-Y283 WeakPolarHBondContact CB-O 3.37Å; K280-Y283 HydrophobicContact CG-CD2 4.31Å; K280-Y283 HydrophobicContact CG-CE1 4.34Å; K280-Y283 HydrophobicContact CG-CE2 3.69Å; K280-Y283 PolarHBondContact N-O 2.68Å; K280-Y283 PolarHBondContact O-N 3.16Å; K280-Y283 VanDerWaalsContact O-O 3.05Å
281	D	83.1	Confident	95.3	Very high	111 Å²	111	46.5 Å²	46.5	59%	0.594	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-37.2	-166.6	-75.1	-55	0	0	0	115.4	K341	D281-K341 WeakPolarHBondContact O-CE 3.22Å; D281-K341 PolarHBondContact O-NZ 3.19Å; D281-K341 IonicContact OD1-NZ 3.09Å; D281-K341 PolarHBondContact OD1-NZ 3.12Å
282	D	87.2	Confident	95.3	Very high	125 Å²	125	42 Å²	42	67%	0.668	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.2	-0.2	-177.2	-53	-49.3	0	0	0	113.4	K280 L339	K280-D282 VanDerWaalsContact C-N 3.26Å; K280-D282 PolarHBondContact O-N 2.98Å; D282-L339 PolarHBondContact O-N 3.4Å
283	Y	92.8	Very high	95.2	Very high	82 Å²	82	43 Å²	43	32%	0.322	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	153.3	-173.2	65.8	-85.6	0	0	0	112.3	K280 L285 K336 A337	K280-Y283 CarbonylContact C-O 3.58Å; K280-Y283 WeakPolarHBondContact CA-O 3.32Å; K280-Y283 HydrophobicContact CB-CD1 4.06Å; K280-Y283 HydrophobicContact CB-CD2 4.15Å; K280-Y283 HydrophobicContact CB-CE1 3.77Å; K280-Y283 HydrophobicContact CB-CE2 3.87Å; K280-Y283 HydrophobicContact CB-CG 4.24Å; K280-Y283 VanDerWaalsContact CB-O 3.28Å; K280-Y283 WeakPolarHBondContact CB-O 3.37Å; K280-Y283 HydrophobicContact CG-CD2 4.31Å; K280-Y283 HydrophobicContact CG-CE1 4.34Å; K280-Y283 HydrophobicContact CG-CE2 3.69Å; K280-Y283 PolarHBondContact N-O 2.68Å; K280-Y283 PolarHBondContact O-N 3.16Å; K280-Y283 VanDerWaalsContact O-O 3.05Å; Y283-L285 HydrophobicContact CD2-CB 4.45Å; Y283-L285 HydrophobicContact CE2-CB 4.17Å; Y283-K336 HydrophobicContact CD2-CB 4.07Å; Y283-K336 HydrophobicContact CD2-CD 4.34Å; Y283-K336 HydrophobicContact CD2-CG 4.14Å; Y283-K336 HydrophobicContact CE2-CD 4.09Å; Y283-K336 HydrophobicContact CE2-CG 4.19Å; Y283-A337 CarbonylContact C-O 3.52Å; Y283-A337 WeakPolarHBondContact CA-O 3.18Å; Y283-A337 VanDerWaalsContact CB-O 3.27Å; Y283-A337 WeakPolarHBondContact CB-O 3.42Å
284	L	95.3	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.5	162	67.7	90.3	0	0	0	110.4	F243 V245 I249 L253 L277 F278 K336 A337 L339	F243-L284 HydrophobicContact CE2-CB 3.93Å; F243-L284 HydrophobicContact CZ-CB 3.99Å; V245-L284 HydrophobicContact CG1-CD2 3.98Å; V245-L284 HydrophobicContact CG2-CD2 4.41Å; I249-L284 HydrophobicContact CD1-CD2 3.6Å; L253-L284 HydrophobicContact CD1-CD1 3.61Å; L253-L284 HydrophobicContact CD1-CD2 3.79Å; L253-L284 HydrophobicContact CD1-CG 4.37Å; L253-L284 HydrophobicContact CD2-CD1 4.3Å; L277-L284 HydrophobicContact CD1-CD1 4.24Å; F278-L284 CarbonylContact O-C 3.59Å; F278-L284 WeakPolarHBondContact O-CA 3.4Å; L284-K336 VanDerWaalsContact O-CA 3.31Å; L284-K336 WeakPolarHBondContact O-CA 3.49Å; L284-A337 HydrophobicContact CD1-CB 4.06Å; L284-A337 HydrophobicContact CD2-CB 4.19Å; L284-A337 HydrophobicContact CG-CB 3.91Å; L284-A337 PolarHBondContact N-O 3.41Å; L284-A337 PolarHBondContact O-N 2.75Å; L284-A337 VanDerWaalsContact O-N 3.13Å; L284-L339 HydrophobicContact CB-CD1 3.73Å; L284-L339 HydrophobicContact CB-CG 4.06Å; L284-L339 HydrophobicContact CD2-CD1 4.4Å; L284-L339 HydrophobicContact CD2-CD2 3.94Å; L284-L339 HydrophobicContact CD2-CG 4.1Å; L284-L339 HydrophobicContact CG-CG 4.37Å
285	L	96.5	Very high	94.6	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.063	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115	172.5	175.3	66.7	0	0	0	109.4	L277 F278 Y283 E334 K336	L277-L285 WeakPolarHBondContact CA-O 3.31Å; F278-L285 HydrophobicContact CB-CB 4.5Å; F278-L285 PolarHBondContact N-O 2.92Å; F278-L285 PolarHBondContact O-N 3.32Å; Y283-L285 HydrophobicContact CD2-CB 4.45Å; Y283-L285 HydrophobicContact CE2-CB 4.17Å; L285-E334 HydrophobicContact CD1-CB 4.25Å; L285-E334 HydrophobicContact CD1-CG 4.47Å; L285-K336 HydrophobicContact CD1-CD 4.46Å; L285-K336 HydrophobicContact CD1-CG 3.67Å
286	L	98.1	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.8	165.2	173.3	67.1	0	0	0	108.3	I221 L253 I256 T257 V275 E276 L277 I288 E334 V335	I221-L286 HydrophobicContact CD1-CD1 4.23Å; L253-L286 HydrophobicContact CB-CD2 4.31Å; L253-L286 HydrophobicContact CD2-CD2 4.04Å; I256-L286 HydrophobicContact CG2-CD2 4.36Å; T257-L286 WeakPolarHBondContact OG1-CD2 3.47Å; V275-L286 HydrophobicContact CG1-CD1 4.31Å; E276-L286 CarbonylContact O-C 3.26Å; E276-L286 WeakPolarHBondContact O-CA 3.41Å; L277-L286 HydrophobicContact CD1-CB 4.2Å; L277-L286 HydrophobicContact CD1-CD1 4.37Å; L286-I288 HydrophobicContact CD1-CD1 4.05Å; L286-I288 HydrophobicContact CD2-CD1 4Å; L286-I288 HydrophobicContact CG-CD1 3.73Å; L286-E334 CarbonylContact O-C 3.57Å; L286-E334 WeakPolarHBondContact O-CA 3.28Å; L286-V335 HydrophobicContact CB-CB 4.32Å; L286-V335 PolarHBondContact N-O 2.82Å; L286-V335 PolarHBondContact O-N 2.81Å
287	R	98.3	Very high	93.6	Very high	58 Å²	58	47.3 Å²	47.3	22%	0.219	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.4	174.3	-176.9	-176	-60.9	142.4	-8.4	110.3	V275 E276 R332 I333 E334	V275-R287 CarbonylContact C-O 3.58Å; V275-R287 WeakPolarHBondContact CA-O 3.41Å; E276-R287 HydrophobicContact CB-CB 4.24Å; E276-R287 PolarHBondContact N-O 3.25Å; E276-R287 PolarHBondContact O-N 3.35Å; E276-R287 VanDerWaalsContact OE2-CD 3.24Å; E276-R287 WeakPolarHBondContact OE2-CD 3.33Å; E276-R287 IonicContact OE2-CZ 3.9Å; E276-R287 IonicContact OE2-NE 3.22Å; E276-R287 IonicContact OE2-NH1 3.38Å; E276-R287 PolarHBondContact OE2-NH1 3.5Å; R287-R332 HydrophobicContact CG-CG 4.02Å; R287-I333 CarbonylContact C-O 3.6Å; R287-I333 VanDerWaalsContact CA-O 3.32Å; R287-I333 WeakPolarHBondContact CA-O 3.24Å; R287-E334 HydrophobicContact CB-CG 4.32Å; R287-E334 HydrophobicContact CG-CG 3.97Å; R287-E334 IonicContact CZ-OE1 3.3Å; R287-E334 VanDerWaalsContact CZ-OE1 3.3Å; R287-E334 IonicContact NE-OE1 2.75Å; R287-E334 PolarHBondContact NE-OE1 2.91Å; R287-E334 IonicContact NH2-OE1 2.96Å; R287-E334 PolarHBondContact NH2-OE1 2.8Å
288	I	98.2	Very high	92.9	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.2	170.1	-55	94.4	0	0	0	108.1	A260 V273 T274 V275 L286 R332 I333	A260-I288 HydrophobicContact CB-CB 4.06Å; A260-I288 HydrophobicContact CB-CD1 4.09Å; A260-I288 HydrophobicContact CB-CG1 4.06Å; A260-I288 HydrophobicContact CB-CG2 3.97Å; V273-I288 HydrophobicContact CG2-CG2 3.89Å; T274-I288 WeakPolarHBondContact O-CA 3.35Å; V275-I288 HydrophobicContact CG1-CG1 4.3Å; V275-I288 HydrophobicContact CG2-CG1 4.47Å; V275-I288 HydrophobicContact CG2-CG2 4.41Å; L286-I288 HydrophobicContact CD1-CD1 4.05Å; L286-I288 HydrophobicContact CD2-CD1 4Å; L286-I288 HydrophobicContact CG-CD1 3.73Å; I288-R332 CarbonylContact O-C 3.57Å; I288-R332 WeakPolarHBondContact O-CA 3.05Å; I288-I333 PolarHBondContact N-O 3.25Å; I288-I333 PolarHBondContact O-N 2.84Å
289	Q	97.5	Very high	92.1	Very high	83 Å²	83	59 Å²	59	39%	0.388	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.2	-177.8	-175.8	171.6	17	0	0	111.9	V273 T274 T331 R332	V273-Q289 CarbonylContact C-O 3.54Å; V273-Q289 WeakPolarHBondContact CA-O 3.42Å; T274-Q289 PolarHBondContact N-O 3.31Å; T274-Q289 PolarHBondContact O-N 3.41Å; Q289-T331 WeakPolarHBondContact CA-O 3.14Å; Q289-R332 HydrophobicContact CB-CB 4.34Å; Q289-R332 HydrophobicContact CB-CG 4.32Å; Q289-R332 HydrophobicContact CG-CB 4.11Å; Q289-R332 HydrophobicContact CG-CG 4.47Å
290	D	96.9	Very high	91.4	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.064	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	162.7	170.1	72.7	-106.3	0	0	0	112.4	T264 K272 V273 G292 G330 T331	T264-D290 HydrophobicContact CG2-CB 3.46Å; T264-D290 VanDerWaalsContact CG2-CB 3.46Å; T264-D290 PolarHBondContact OG1-OD1 3.48Å; K272-D290 WeakPolarHBondContact O-CA 3.47Å; V273-D290 HydrophobicContact CG2-CB 4.35Å; D290-G292 WeakPolarHBondContact OD2-CA 3.43Å; D290-G292 PolarHBondContact OD2-N 2.9Å; D290-G330 WeakPolarHBondContact O-CA 3.16Å; D290-T331 PolarHBondContact N-O 2.9Å; D290-T331 WeakPolarHBondContact OD1-CB 3.47Å; D290-T331 PolarHBondContact OD2-N 3.38Å
291	N	96	Very high	90.6	Very high	80 Å²	80	58.3 Å²	58.3	43%	0.428	29%	0.288	S	S	.	.			trans	-106.8	29.6	177	71.6	-24.6	0	0	0	112.5	T271 K272	T271-N291 PolarHBondContact N-OD1 3.45Å; T271-N291 PolarHBondContact OG1-ND2 2.93Å; K272-N291 PolarHBondContact N-OD1 3.42Å; K272-N291 PolarHBondContact O-N 3.21Å; K272-N291 PolarHBondContact O-OD1 2.89Å; K272-N291 VanDerWaalsContact O-OD1 3.05Å
292	G	94.5	Very high	90.1	Very high	7 Å²	7	59.6 Å²	59.6	7%	0.072	29%	0.291	C	S	.	.	S	Bend	trans	-80	-163.2	-177.7	0	0	0	0	0	114.4	S268 D290 G294 G330	S268-G292 CarbonylContact O-C 3.45Å; S268-G292 WeakPolarHBondContact O-CA 3.33Å; D290-G292 WeakPolarHBondContact OD2-CA 3.43Å; D290-G292 PolarHBondContact OD2-N 2.9Å; G292-G294 PolarHBondContact O-N 3Å; G292-G330 WeakPolarHBondContact O-CA 3.33Å; G292-G330 PolarHBondContact O-N 2.85Å
293	K	93.6	Very high	89.6	Confident	99 Å²	99	61.1 Å²	61.1	43%	0.43	29%	0.294	S	S	.	.			trans	-70.1	-9.6	-179.3	76	-169.9	-170.3	-165.1	0	114.7	H267 S268 P327 D328	H267-K293 WeakPolarHBondContact O-CE 3.4Å; H267-K293 PolarHBondContact O-NZ 2.62Å; S268-K293 PolarHBondContact O-N 3.41Å; K293-P327 CarbonylContact O-C 3.6Å; K293-P327 WeakPolarHBondContact O-CA 3.37Å; K293-D328 WeakPolarHBondContact O-CA 3.2Å; K293-D328 PolarHBondContact O-N 3.49Å
294	G	92.5	Very high	89.1	Confident	9 Å²	9	58.6 Å²	58.6	9%	0.093	29%	0.288	C	S	.	.			trans	52.4	-167.1	-174.1	0	0	0	0	0	114.5	G292 S325 L326 G330	G292-G294 PolarHBondContact O-N 3Å; G294-S325 WeakPolarHBondContact CA-OG 3.24Å; G294-L326 WeakPolarHBondContact CA-O 3.43Å; G294-G330 WeakPolarHBondContact CA-O 3.35Å
295	F	91.5	Very high	88.3	Confident	44 Å²	44	67.6 Å²	67.6	19%	0.193	32%	0.323	C	S	.	.			trans	-164.3	166.2	177.1	57	-86	0	0	0	111.4	V297 K300 L307 I323 S325 T331	F295-V297 HydrophobicContact CE2-CG2 4.32Å; F295-V297 PolarHBondContact O-N 3.06Å; F295-K300 HydrophobicContact CB-CD 4.44Å; F295-K300 HydrophobicContact CD2-CB 3.84Å; F295-K300 HydrophobicContact CD2-CD 3.88Å; F295-K300 HydrophobicContact CD2-CG 4.36Å; F295-K300 HydrophobicContact CE2-CB 4.06Å; F295-K300 HydrophobicContact CE2-CD 4.34Å; F295-K300 HydrophobicContact CG-CD 4.19Å; F295-L307 HydrophobicContact CE2-CD1 4.01Å; F295-L307 HydrophobicContact CZ-CD1 3.92Å; F295-I323 HydrophobicContact CE2-CD1 4.41Å; F295-I323 HydrophobicContact CZ-CD1 3.67Å; F295-S325 PolarHBondContact N-OG 2.9Å; F295-S325 CarbonylContact O-C 3.47Å; F295-S325 VanDerWaalsContact O-C 3.26Å; F295-S325 WeakPolarHBondContact O-CB 3.23Å; F295-S325 VanDerWaalsContact O-O 3.13Å; F295-S325 PolarHBondContact O-OG 2.9Å; F295-T331 HydrophobicContact CE1-CG2 3.91Å; F295-T331 WeakPolarHBondContact CE1-OG1 3.49Å; F295-T331 HydrophobicContact CZ-CG2 4.35Å
296	N	88.5	Confident	87.8	Confident	63 Å²	63	67.6 Å²	67.6	34%	0.337	33%	0.326	S	S	.	.			trans	-74.7	114	169.8	-171.9	-9.1	0	0	0	110.2	D298 E299 K300	N296-D298 PolarHBondContact O-N 3.35Å; N296-D298 PolarHBondContact OD1-N 2.88Å; N296-E299 HydrophobicContact CB-CB 4.35Å; N296-E299 HydrophobicContact CB-CG 4.26Å; N296-E299 PolarHBondContact ND2-OE1 2.9Å; N296-K300 PolarHBondContact O-N 2.82Å
297	V	85.6	Confident	87.4	Confident	24 Å²	24	68 Å²	68	15%	0.145	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-42.3	-177.3	176.6	0	0	0	0	111.6	F295 E299 K300 L301 I323	F295-V297 HydrophobicContact CE2-CG2 4.32Å; F295-V297 PolarHBondContact O-N 3.06Å; V297-E299 VanDerWaalsContact C-N 3.25Å; V297-E299 PolarHBondContact O-N 2.82Å; V297-K300 PolarHBondContact O-N 3.3Å; V297-K300 VanDerWaalsContact O-N 3.14Å; V297-L301 HydrophobicContact CG1-CB 4.43Å; V297-L301 WeakPolarHBondContact O-CB 3.49Å; V297-L301 PolarHBondContact O-N 2.79Å; V297-I323 HydrophobicContact CG1-CG2 3.76Å
298	D	82.8	Confident	86.9	Confident	148 Å²	148	69.9 Å²	69.9	79%	0.791	34%	0.338	S	S	*	.	H	α-helix	trans	-64.9	-31.2	-173.8	-65.2	-31.2	0	0	0	112.3	N296	N296-D298 PolarHBondContact O-N 3.35Å; N296-D298 PolarHBondContact OD1-N 2.88Å
299	E	80.2	Confident	86.4	Confident	135 Å²	135	73.3 Å²	73.3	63%	0.631	36%	0.357	S	S	*	.	H	α-helix	trans	-77.1	-31.2	177.7	-71.5	171	-157.7	0	0	112.7	N296 V297	N296-E299 HydrophobicContact CB-CB 4.35Å; N296-E299 HydrophobicContact CB-CG 4.26Å; N296-E299 PolarHBondContact ND2-OE1 2.9Å; V297-E299 VanDerWaalsContact C-N 3.25Å; V297-E299 PolarHBondContact O-N 2.82Å
300	K	79.2	Confident	86.2	Confident	88 Å²	88	69.5 Å²	69.5	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-110.2	-21.3	-162.9	-156.1	162.1	-173.2	175.8	0	114.8	F295 N296 V297 E302 Q303 S304	F295-K300 HydrophobicContact CB-CD 4.44Å; F295-K300 HydrophobicContact CD2-CB 3.84Å; F295-K300 HydrophobicContact CD2-CD 3.88Å; F295-K300 HydrophobicContact CD2-CG 4.36Å; F295-K300 HydrophobicContact CE2-CB 4.06Å; F295-K300 HydrophobicContact CE2-CD 4.34Å; F295-K300 HydrophobicContact CG-CD 4.19Å; N296-K300 PolarHBondContact O-N 2.82Å; V297-K300 PolarHBondContact O-N 3.3Å; V297-K300 VanDerWaalsContact O-N 3.14Å; K300-E302 VanDerWaalsContact C-N 3.35Å; K300-E302 PolarHBondContact O-N 2.81Å; K300-Q303 PolarHBondContact O-N 3.22Å; K300-S304 VanDerWaalsContact O-CB 3.24Å; K300-S304 WeakPolarHBondContact O-CB 3.2Å; K300-S304 PolarHBondContact O-N 2.83Å
301	L	75.5	Confident	86	Confident	41 Å²	41	74 Å²	74	22%	0.215	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-42.6	-175.5	-167.2	71.4	0	0	0	112.6	V297 L307 I323	V297-L301 HydrophobicContact CG1-CB 4.43Å; V297-L301 WeakPolarHBondContact O-CB 3.49Å; V297-L301 PolarHBondContact O-N 2.79Å; L301-L307 HydrophobicContact CD1-CB 4.16Å; L301-L307 HydrophobicContact CD1-CD1 4.18Å; L301-I323 HydrophobicContact CD1-CG2 3.98Å
302	E	72.8	Confident	85.9	Confident	138 Å²	138	74.2 Å²	74.2	65%	0.645	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-21.1	-178.9	-68.5	-63.4	144.9	0	0	113.2	K300 R311	K300-E302 VanDerWaalsContact C-N 3.35Å; K300-E302 PolarHBondContact O-N 2.81Å; E302-R311 IonicContact OE1-NH1 4Å
303	Q	74.9	Confident	85.8	Confident	158 Å²	158	77.8 Å²	77.8	74%	0.738	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-22.5	-179.6	-62.6	-174.7	-3.1	0	0	113.2	K300	K300-Q303 PolarHBondContact O-N 3.22Å
304	S	82.1	Confident	85.8	Confident	29 Å²	29	73.1 Å²	73.1	20%	0.203	34%	0.344	C	S	.	.			trans	-91.3	106.9	-175.9	-178	0	0	0	0	112	K300 G306 L307 K308	K300-S304 VanDerWaalsContact O-CB 3.24Å; K300-S304 WeakPolarHBondContact O-CB 3.2Å; K300-S304 PolarHBondContact O-N 2.83Å; S304-G306 PolarHBondContact O-N 3.47Å; S304-L307 PolarHBondContact O-N 3.38Å; S304-K308 PolarHBondContact O-N 2.84Å; S304-K308 VanDerWaalsContact O-N 3.08Å
305	Y	79.2	Confident	85.9	Confident	188 Å²	188	77.5 Å²	77.5	74%	0.737	37%	0.365	S	S	*	.	H	α-helix	trans	-53.6	-39.7	173.8	-73.7	-80.2	0	0	0	112.9	K308 N309	Y305-K308 PolarHBondContact O-N 2.68Å; Y305-N309 WeakPolarHBondContact O-CB 3.41Å; Y305-N309 PolarHBondContact O-N 2.76Å; Y305-N309 PolarHBondContact O-ND2 3.09Å; Y305-N309 PolarHBondContact O-OD1 2.85Å
306	G	85.2	Confident	85.9	Confident	12 Å²	12	81.7 Å²	81.7	12%	0.124	39%	0.385	C	S	.	.	H	α-helix	trans	-63.9	-43.7	179.4	0	0	0	0	0	113.1	E259 S304 N309 M310	E259-G306 WeakPolarHBondContact OE1-CA 3.27Å; S304-G306 PolarHBondContact O-N 3.47Å; G306-N309 PolarHBondContact O-N 3.37Å; G306-M310 WeakPolarHBondContact O-CG 3.29Å; G306-M310 PolarHBondContact O-N 2.96Å; G306-M310 VanDerWaalsContact O-N 3.09Å
307	L	90.3	Very high	86	Confident	9 Å²	9	79.9 Å²	79.9	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-67.2	-41.1	177.4	-64.1	-178.4	0	0	0	111.7	F295 L301 S304 M310 R311 I323	F295-L307 HydrophobicContact CE2-CD1 4.01Å; F295-L307 HydrophobicContact CZ-CD1 3.92Å; L301-L307 HydrophobicContact CD1-CB 4.16Å; L301-L307 HydrophobicContact CD1-CD1 4.18Å; S304-L307 PolarHBondContact O-N 3.38Å; L307-M310 HydrophobicContact CD2-CE 3.51Å; L307-M310 PolarHBondContact O-N 2.91Å; L307-R311 PolarHBondContact O-N 3.19Å; L307-I323 HydrophobicContact CD1-CD1 4.24Å; L307-I323 HydrophobicContact CD2-CD1 3.78Å
308	K	88.7	Confident	86.3	Confident	98 Å²	98	81.4 Å²	81.4	43%	0.426	40%	0.396	S	S	.	.	H	α-helix	trans	-60.7	-47.1	175.9	-177.8	174.7	173.6	175.4	0	111.5	S304 Y305 M310 R311 E312	S304-K308 PolarHBondContact O-N 2.84Å; S304-K308 VanDerWaalsContact O-N 3.08Å; Y305-K308 PolarHBondContact O-N 2.68Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.4Å; K308-R311 PolarHBondContact O-N 2.83Å; K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 HydrophobicContact CG-CG 4.44Å; K308-E312 IonicContact NZ-OE1 3.65Å; K308-E312 WeakPolarHBondContact O-CG 3.41Å; K308-E312 PolarHBondContact O-N 3.27Å
309	N	87.5	Confident	86.8	Confident	75 Å²	75	74.5 Å²	74.5	40%	0.401	36%	0.36	S	S	.	.	H	α-helix	trans	-61.2	-41	178.1	-71.8	-6.8	0	0	0	112.1	Y305 G306 E312 R313	Y305-N309 WeakPolarHBondContact O-CB 3.41Å; Y305-N309 PolarHBondContact O-N 2.76Å; Y305-N309 PolarHBondContact O-ND2 3.09Å; Y305-N309 PolarHBondContact O-OD1 2.85Å; G306-N309 PolarHBondContact O-N 3.37Å; N309-E312 PolarHBondContact O-N 3.5Å; N309-R313 WeakPolarHBondContact O-CB 3.15Å; N309-R313 VanDerWaalsContact O-CG 3.3Å; N309-R313 WeakPolarHBondContact O-CG 3.26Å; N309-R313 PolarHBondContact O-N 2.93Å
310	M	93	Very high	87.5	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-63.3	-42.9	175.2	-71.8	-169.5	-75.6	0	0	112.1	I256 E259 A260 G306 L307 K308 R313 A314 F321 I333	I256-M310 HydrophobicContact CG1-CB 4.3Å; I256-M310 HydrophobicContact CG1-CG 4.34Å; I256-M310 HydrophobicContact CG2-CB 4.46Å; I256-M310 HydrophobicContact CG2-CG 4.28Å; I256-M310 HydrophobicContact CG2-SD 4.02Å; E259-M310 HydrophobicContact CB-CG 3.85Å; E259-M310 HydrophobicContact CB-SD 3.82Å; E259-M310 HydrophobicContact CG-CE 4.02Å; E259-M310 HydrophobicContact CG-CG 3.52Å; E259-M310 HydrophobicContact CG-SD 3.67Å; A260-M310 HydrophobicContact CB-SD 4.1Å; G306-M310 WeakPolarHBondContact O-CG 3.29Å; G306-M310 PolarHBondContact O-N 2.96Å; G306-M310 VanDerWaalsContact O-N 3.09Å; L307-M310 HydrophobicContact CD2-CE 3.51Å; L307-M310 PolarHBondContact O-N 2.91Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.4Å; M310-R313 PolarHBondContact O-N 2.88Å; M310-A314 PolarHBondContact O-N 2.9Å; M310-F321 HydrophobicContact CB-CD2 4.33Å; M310-F321 HydrophobicContact CB-CE2 3.59Å; M310-F321 HydrophobicContact CB-CZ 4Å; M310-F321 HydrophobicContact CE-CZ 4.43Å; M310-I333 HydrophobicContact CE-CD1 3.76Å; M310-I333 HydrophobicContact SD-CD1 4.2Å
311	R	93.2	Very high	88.3	Confident	106 Å²	106	69.7 Å²	69.7	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-46.2	176.5	174.1	179.2	145.3	-167.7	-7.9	111.5	E302 L307 K308 A314 L315 F321	E302-R311 IonicContact OE1-NH1 4Å; L307-R311 PolarHBondContact O-N 3.19Å; K308-R311 PolarHBondContact O-N 2.83Å; R311-A314 PolarHBondContact O-N 3.5Å; R311-L315 HydrophobicContact CG-CD1 4.03Å; R311-L315 VanDerWaalsContact O-CG 3.3Å; R311-L315 WeakPolarHBondContact O-CG 3.06Å; R311-L315 PolarHBondContact O-N 3.22Å; R311-F321 HydrophobicContact CB-CB 4.5Å; R311-F321 HydrophobicContact CB-CD1 3.94Å; R311-F321 HydrophobicContact CB-CE1 4.36Å; R311-F321 HydrophobicContact CB-CG 4.15Å; R311-F321 HydrophobicContact CG-CD1 4.4Å
312	E	93	Very high	89.2	Confident	86 Å²	86	72.9 Å²	72.9	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-47.5	177.1	-74.1	174.9	175.8	0	0	111.2	K308 N309 A314 L315 E316	K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 HydrophobicContact CG-CG 4.44Å; K308-E312 IonicContact NZ-OE1 3.65Å; K308-E312 WeakPolarHBondContact O-CG 3.41Å; K308-E312 PolarHBondContact O-N 3.27Å; N309-E312 PolarHBondContact O-N 3.5Å; E312-A314 VanDerWaalsContact C-N 3.31Å; E312-A314 PolarHBondContact O-N 3.15Å; E312-L315 PolarHBondContact O-N 3.14Å; E312-L315 VanDerWaalsContact O-N 3.12Å; E312-E316 WeakPolarHBondContact O-CG 3.42Å; E312-E316 PolarHBondContact O-N 3.13Å
313	R	91.8	Very high	90.3	Very high	82 Å²	82	67 Å²	67	31%	0.309	33%	0.331	S	S	.	.	H	α-helix	trans	-61.1	-37.3	177.1	-74.4	-176.8	-177.9	-68.6	-5.1	113.6	R255 I256 N309 M310	R255-R313 VanDerWaalsContact CD-CZ 3.49Å; I256-R313 HydrophobicContact CD1-CB 4.12Å; I256-R313 HydrophobicContact CG1-CB 4.19Å; N309-R313 WeakPolarHBondContact O-CB 3.15Å; N309-R313 VanDerWaalsContact O-CG 3.3Å; N309-R313 WeakPolarHBondContact O-CG 3.26Å; N309-R313 PolarHBondContact O-N 2.93Å; M310-R313 PolarHBondContact O-N 2.88Å
314	A	94.8	Very high	91.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.4	-43.7	175	0	0	0	0	0	110.8	I256 M310 R311 E312 E316 I317 G318 A319 F321 V335	I256-A314 HydrophobicContact CD1-CB 4.11Å; M310-A314 PolarHBondContact O-N 2.9Å; R311-A314 PolarHBondContact O-N 3.5Å; E312-A314 VanDerWaalsContact C-N 3.31Å; E312-A314 PolarHBondContact O-N 3.15Å; A314-E316 VanDerWaalsContact C-N 3.35Å; A314-E316 PolarHBondContact O-N 3.33Å; A314-I317 WeakPolarHBondContact O-CG1 3.45Å; A314-I317 PolarHBondContact O-N 2.77Å; A314-G318 PolarHBondContact O-N 2.9Å; A314-A319 HydrophobicContact CB-CB 4.27Å; A314-A319 WeakPolarHBondContact O-CA 3.48Å; A314-A319 VanDerWaalsContact O-CB 3.28Å; A314-A319 WeakPolarHBondContact O-CB 3.46Å; A314-A319 PolarHBondContact O-N 2.89Å; A314-F321 HydrophobicContact CB-CB 3.85Å; A314-F321 HydrophobicContact CB-CD2 4.32Å; A314-V335 HydrophobicContact CB-CG1 4.12Å
315	L	93.8	Very high	91.8	Very high	102 Å²	102	61 Å²	61	53%	0.534	30%	0.304	S	S	.	.	H	α-helix	trans	-65.1	-36.5	177.9	-68.4	170.9	0	0	0	112.4	R311 E312 I317 G318	R311-L315 HydrophobicContact CG-CD1 4.03Å; R311-L315 VanDerWaalsContact O-CG 3.3Å; R311-L315 WeakPolarHBondContact O-CG 3.06Å; R311-L315 PolarHBondContact O-N 3.22Å; E312-L315 PolarHBondContact O-N 3.14Å; E312-L315 VanDerWaalsContact O-N 3.12Å; L315-I317 PolarHBondContact O-N 3.06Å; L315-G318 PolarHBondContact O-N 3.18Å
316	E	91.9	Very high	92.4	Very high	132 Å²	132	57.3 Å²	57.3	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-57.8	-33	176.4	-77.7	175.2	161.3	0	0	113.1	H252 E312 A314	H252-E316 IonicContact CE1-OE2 2.96Å; H252-E316 PolarHBondContact CE1-OE2 2.92Å; H252-E316 IonicContact ND1-OE2 2.8Å; H252-E316 PolarHBondContact ND1-OE2 2.93Å; E312-E316 WeakPolarHBondContact O-CG 3.42Å; E312-E316 PolarHBondContact O-N 3.13Å; A314-E316 VanDerWaalsContact C-N 3.35Å; A314-E316 PolarHBondContact O-N 3.33Å
317	I	90.7	Very high	92.7	Very high	24 Å²	24	60.5 Å²	60.5	12%	0.123	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	12.5	177.8	62.9	168.5	0	0	0	113.2	I249 H252 L253 A314 L315 A319 A337	I249-I317 HydrophobicContact CB-CB 4.33Å; I249-I317 HydrophobicContact CB-CD1 4.13Å; I249-I317 HydrophobicContact CB-CG2 4.31Å; I249-I317 HydrophobicContact CG2-CB 3.87Å; I249-I317 HydrophobicContact CG2-CD1 4.49Å; I249-I317 HydrophobicContact CG2-CG2 4.06Å; H252-I317 HydrophobicContact CB-CD1 4.15Å; H252-I317 HydrophobicContact CB-CG2 3.67Å; H252-I317 VanDerWaalsContact CD2-CG2 3.45Å; H252-I317 WeakPolarHBondContact CD2-CG2 3.49Å; H252-I317 VanDerWaalsContact CG-CG2 3.41Å; L253-I317 HydrophobicContact CD2-CD1 3.95Å; L253-I317 HydrophobicContact CG-CD1 4.01Å; A314-I317 WeakPolarHBondContact O-CG1 3.45Å; A314-I317 PolarHBondContact O-N 2.77Å; L315-I317 PolarHBondContact O-N 3.06Å; I317-A319 HydrophobicContact CD1-CB 3.96Å; I317-A319 HydrophobicContact CG1-CB 3.77Å; I317-A319 PolarHBondContact O-N 2.77Å; I317-A337 HydrophobicContact CD1-CB 4.31Å
318	G	91.6	Very high	92.7	Very high	56 Å²	56	67 Å²	67	58%	0.577	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.2	18.8	-177.4	0	0	0	0	0	114.2	A314 L315 P338	A314-G318 PolarHBondContact O-N 2.9Å; L315-G318 PolarHBondContact O-N 3.18Å; G318-P338 WeakPolarHBondContact O-CD 3.31Å
319	A	94.2	Very high	93	Very high	4 Å²	4	66.3 Å²	66.3	3%	0.033	36%	0.357	C	S	.	.			trans	-89.2	160	177.7	0	0	0	0	0	112.1	A314 I317 V335 K336 A337	A314-A319 HydrophobicContact CB-CB 4.27Å; A314-A319 WeakPolarHBondContact O-CA 3.48Å; A314-A319 VanDerWaalsContact O-CB 3.28Å; A314-A319 WeakPolarHBondContact O-CB 3.46Å; A314-A319 PolarHBondContact O-N 2.89Å; I317-A319 HydrophobicContact CD1-CB 3.96Å; I317-A319 HydrophobicContact CG1-CB 3.77Å; I317-A319 PolarHBondContact O-N 2.77Å; A319-V335 HydrophobicContact CB-CG1 3.82Å; A319-K336 CarbonylContact C-O 3.58Å; A319-K336 WeakPolarHBondContact CA-O 3.35Å; A319-K336 VanDerWaalsContact CB-O 3.27Å; A319-K336 WeakPolarHBondContact CB-O 3.41Å; A319-A337 HydrophobicContact CB-CB 3.69Å
320	T	95	Very high	93.3	Very high	86 Å²	86	62.9 Å²	62.9	53%	0.528	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.4	168.1	62	0	0	0	0	110	V335 K336	T320-V335 VanDerWaalsContact O-CA 3.28Å; T320-V335 WeakPolarHBondContact O-CA 3.14Å; T320-K336 PolarHBondContact N-O 2.96Å; T320-K336 PolarHBondContact O-N 3.22Å; T320-K336 WeakPolarHBondContact OG1-CB 3.36Å
321	F	95.3	Very high	93.5	Very high	35 Å²	35	63.5 Å²	63.5	15%	0.154	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124	177	-179.4	-88.3	0	0	0	109.5	M310 R311 A314 I323 I333 V335	M310-F321 HydrophobicContact CB-CD2 4.33Å; M310-F321 HydrophobicContact CB-CE2 3.59Å; M310-F321 HydrophobicContact CB-CZ 4Å; M310-F321 HydrophobicContact CE-CZ 4.43Å; R311-F321 HydrophobicContact CB-CB 4.5Å; R311-F321 HydrophobicContact CB-CD1 3.94Å; R311-F321 HydrophobicContact CB-CE1 4.36Å; R311-F321 HydrophobicContact CB-CG 4.15Å; R311-F321 HydrophobicContact CG-CD1 4.4Å; A314-F321 HydrophobicContact CB-CB 3.85Å; A314-F321 HydrophobicContact CB-CD2 4.32Å; F321-I323 HydrophobicContact CE1-CB 4.22Å; F321-I323 HydrophobicContact CE1-CG2 4.29Å; F321-I333 HydrophobicContact CD2-CG2 4.33Å; F321-I333 HydrophobicContact CE2-CG2 3.52Å; F321-I333 HydrophobicContact CZ-CG2 3.86Å; F321-V335 HydrophobicContact CD2-CG2 3.77Å; F321-V335 HydrophobicContact CE2-CG2 4.34Å
322	H	95.1	Very high	93.6	Very high	108 Å²	108	62.3 Å²	62.3	50%	0.5	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.5	177.3	-170	60.9	0	0	0	110.6	V324 I333 E334	H322-V324 WeakPolarHBondContact NE2-CG2 3.4Å; H322-I333 CarbonylContact O-C 3.5Å; H322-I333 WeakPolarHBondContact O-CA 3.49Å; H322-E334 PolarHBondContact N-O 3.05Å; H322-E334 PolarHBondContact O-N 2.88Å
323	I	94.7	Very high	93.8	Very high	16 Å²	16	58.7 Å²	58.7	8%	0.082	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.8	176.1	-175	167.8	0	0	0	109.4	F295 V297 L301 L307 F321 T331 R332 I333	F295-I323 HydrophobicContact CE2-CD1 4.41Å; F295-I323 HydrophobicContact CZ-CD1 3.67Å; V297-I323 HydrophobicContact CG1-CG2 3.76Å; L301-I323 HydrophobicContact CD1-CG2 3.98Å; L307-I323 HydrophobicContact CD1-CD1 4.24Å; L307-I323 HydrophobicContact CD2-CD1 3.78Å; F321-I323 HydrophobicContact CE1-CB 4.22Å; F321-I323 HydrophobicContact CE1-CG2 4.29Å; I323-T331 HydrophobicContact CD1-CG2 3.92Å; I323-T331 HydrophobicContact CG1-CG2 4.02Å; I323-R332 CarbonylContact C-O 3.46Å; I323-R332 WeakPolarHBondContact CA-O 3.38Å; I323-I333 HydrophobicContact CB-CG1 4.49Å; I323-I333 HydrophobicContact CD1-CD1 4.41Å; I323-I333 HydrophobicContact CD1-CG1 4.02Å; I323-I333 HydrophobicContact CG1-CG1 4.05Å
324	V	94.4	Very high	94.1	Very high	52 Å²	52	55.9 Å²	55.9	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.5	173.1	-176.7	0	0	0	0	107.2	H322 R332	H322-V324 WeakPolarHBondContact NE2-CG2 3.4Å; V324-R332 PolarHBondContact N-O 2.96Å; V324-R332 PolarHBondContact O-N 3.43Å
325	S	94.6	Very high	94.3	Very high	8 Å²	8	55.9 Å²	55.9	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.7	171.5	-160.7	0	0	0	0	109.5	G294 F295 G330 T331	G294-S325 WeakPolarHBondContact CA-OG 3.24Å; F295-S325 PolarHBondContact N-OG 2.9Å; F295-S325 CarbonylContact O-C 3.47Å; F295-S325 VanDerWaalsContact O-C 3.26Å; F295-S325 WeakPolarHBondContact O-CB 3.23Å; F295-S325 VanDerWaalsContact O-O 3.13Å; F295-S325 PolarHBondContact O-OG 2.9Å; S325-G330 PolarHBondContact OG-O 2.85Å; S325-T331 PolarHBondContact OG-OG1 2.96Å
326	L	91.8	Very high	94.3	Very high	110 Å²	110	55 Å²	55	58%	0.576	30%	0.304	S	S	*	.			trans	-133.2	148.4	171.7	-66.8	170.3	0	0	0	107.5	G294 D328 S329	G294-L326 WeakPolarHBondContact CA-O 3.43Å; L326-D328 PolarHBondContact O-N 2.83Å; L326-S329 PolarHBondContact O-N 2.86Å; L326-S329 VanDerWaalsContact O-N 3.12Å
327	P	91.5	Very high	94.5	Very high	80 Å²	80	48.7 Å²	48.7	52%	0.519	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	137	171	-26.7	35.3	0	0	0	111.8	K293 S329	K293-P327 CarbonylContact O-C 3.6Å; K293-P327 WeakPolarHBondContact O-CA 3.37Å; P327-S329 PolarHBondContact O-N 3.32Å; P327-S329 PolarHBondContact O-OG 3.07Å
328	D	90.6	Very high	94.4	Very high	145 Å²	145	51.4 Å²	51.4	78%	0.775	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	17.1	-178.4	-55.4	-46.9	0	0	0	115.9	K293 L326	K293-D328 WeakPolarHBondContact O-CA 3.2Å; K293-D328 PolarHBondContact O-N 3.49Å; L326-D328 PolarHBondContact O-N 2.83Å
329	S	93.8	Very high	94.2	Very high	84 Å²	84	49.8 Å²	49.8	59%	0.587	27%	0.272	S	S	*	.	S	Bend	trans	-124.7	11.6	-176.1	-53.7	0	0	0	0	114.2	L326 P327	L326-S329 PolarHBondContact O-N 2.86Å; L326-S329 VanDerWaalsContact O-N 3.12Å; P327-S329 PolarHBondContact O-N 3.32Å; P327-S329 PolarHBondContact O-OG 3.07Å
330	G	94.4	Very high	93.4	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.021	29%	0.292	C	S	.	.			trans	73.3	-170.9	-178.1	0	0	0	0	0	114.5	D290 G292 G294 S325	D290-G330 WeakPolarHBondContact O-CA 3.16Å; G292-G330 WeakPolarHBondContact O-CA 3.33Å; G292-G330 PolarHBondContact O-N 2.85Å; G294-G330 WeakPolarHBondContact CA-O 3.35Å; S325-G330 PolarHBondContact OG-O 2.85Å
331	T	96.5	Very high	92	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.092	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.2	177.8	-56.9	0	0	0	0	109.9	Q289 D290 F295 I323 S325 I333	Q289-T331 WeakPolarHBondContact CA-O 3.14Å; D290-T331 PolarHBondContact N-O 2.9Å; D290-T331 WeakPolarHBondContact OD1-CB 3.47Å; D290-T331 PolarHBondContact OD2-N 3.38Å; F295-T331 HydrophobicContact CE1-CG2 3.91Å; F295-T331 WeakPolarHBondContact CE1-OG1 3.49Å; F295-T331 HydrophobicContact CZ-CG2 4.35Å; I323-T331 HydrophobicContact CD1-CG2 3.92Å; I323-T331 HydrophobicContact CG1-CG2 4.02Å; S325-T331 PolarHBondContact OG-OG1 2.96Å; T331-I333 HydrophobicContact CG2-CG1 4.38Å
332	R	97.1	Very high	90.2	Very high	81 Å²	81	60.4 Å²	60.4	31%	0.306	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	172.7	177.2	175.1	53.6	157.5	-8.7	109.8	R287 I288 Q289 I323 V324 E334	R287-R332 HydrophobicContact CG-CG 4.02Å; I288-R332 CarbonylContact O-C 3.57Å; I288-R332 WeakPolarHBondContact O-CA 3.05Å; Q289-R332 HydrophobicContact CB-CB 4.34Å; Q289-R332 HydrophobicContact CB-CG 4.32Å; Q289-R332 HydrophobicContact CG-CB 4.11Å; Q289-R332 HydrophobicContact CG-CG 4.47Å; I323-R332 CarbonylContact C-O 3.46Å; I323-R332 WeakPolarHBondContact CA-O 3.38Å; V324-R332 PolarHBondContact N-O 2.96Å; V324-R332 PolarHBondContact O-N 3.43Å; R332-E334 HydrophobicContact CG-CG 4.21Å; R332-E334 IonicContact CZ-OE1 3.71Å; R332-E334 IonicContact NH1-OE1 3.63Å; R332-E334 PolarHBondContact NH1-OE1 3.09Å
333	I	97.1	Very high	88.2	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.4	173.5	-63.6	173.2	0	0	0	107.8	A260 R287 I288 M310 F321 H322 I323 T331 V335	A260-I333 HydrophobicContact CB-CD1 3.95Å; R287-I333 CarbonylContact C-O 3.6Å; R287-I333 VanDerWaalsContact CA-O 3.32Å; R287-I333 WeakPolarHBondContact CA-O 3.24Å; I288-I333 PolarHBondContact N-O 3.25Å; I288-I333 PolarHBondContact O-N 2.84Å; M310-I333 HydrophobicContact CE-CD1 3.76Å; M310-I333 HydrophobicContact SD-CD1 4.2Å; F321-I333 HydrophobicContact CD2-CG2 4.33Å; F321-I333 HydrophobicContact CE2-CG2 3.52Å; F321-I333 HydrophobicContact CZ-CG2 3.86Å; H322-I333 CarbonylContact O-C 3.5Å; H322-I333 WeakPolarHBondContact O-CA 3.49Å; I323-I333 HydrophobicContact CB-CG1 4.49Å; I323-I333 HydrophobicContact CD1-CD1 4.41Å; I323-I333 HydrophobicContact CD1-CG1 4.02Å; I323-I333 HydrophobicContact CG1-CG1 4.05Å; T331-I333 HydrophobicContact CG2-CG1 4.38Å; I333-V335 HydrophobicContact CG2-CG2 4.47Å
334	E	97.7	Very high	86.1	Confident	23 Å²	23	61 Å²	61	11%	0.107	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.3	174.7	-67.8	-172.3	170.5	0	0	110	L285 L286 R287 H322 R332	L285-E334 HydrophobicContact CD1-CB 4.25Å; L285-E334 HydrophobicContact CD1-CG 4.47Å; L286-E334 CarbonylContact O-C 3.57Å; L286-E334 WeakPolarHBondContact O-CA 3.28Å; R287-E334 HydrophobicContact CB-CG 4.32Å; R287-E334 HydrophobicContact CG-CG 3.97Å; R287-E334 IonicContact CZ-OE1 3.3Å; R287-E334 VanDerWaalsContact CZ-OE1 3.3Å; R287-E334 IonicContact NE-OE1 2.75Å; R287-E334 PolarHBondContact NE-OE1 2.91Å; R287-E334 IonicContact NH2-OE1 2.96Å; R287-E334 PolarHBondContact NH2-OE1 2.8Å; H322-E334 PolarHBondContact N-O 3.05Å; H322-E334 PolarHBondContact O-N 2.88Å; R332-E334 HydrophobicContact CG-CG 4.21Å; R332-E334 IonicContact CZ-OE1 3.71Å; R332-E334 IonicContact NH1-OE1 3.63Å; R332-E334 PolarHBondContact NH1-OE1 3.09Å
335	V	97.6	Very high	83.7	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	122.9	172	-178	0	0	0	0	108.9	L253 I256 L286 A314 A319 T320 F321 I333	L253-V335 HydrophobicContact CD2-CB 4.39Å; L253-V335 HydrophobicContact CD2-CG1 3.75Å; I256-V335 HydrophobicContact CD1-CG2 4.37Å; I256-V335 HydrophobicContact CG2-CG2 4.05Å; L286-V335 HydrophobicContact CB-CB 4.32Å; L286-V335 PolarHBondContact N-O 2.82Å; L286-V335 PolarHBondContact O-N 2.81Å; A314-V335 HydrophobicContact CB-CG1 4.12Å; A319-V335 HydrophobicContact CB-CG1 3.82Å; T320-V335 VanDerWaalsContact O-CA 3.28Å; T320-V335 WeakPolarHBondContact O-CA 3.14Å; F321-V335 HydrophobicContact CD2-CG2 3.77Å; F321-V335 HydrophobicContact CE2-CG2 4.34Å; I333-V335 HydrophobicContact CG2-CG2 4.47Å
336	K	95.8	Very high	81	Confident	83 Å²	83	73.2 Å²	73.2	36%	0.361	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.4	175.1	-57.8	174.9	-177.4	176.1	0	109.4	Y283 L284 L285 A319 T320	Y283-K336 HydrophobicContact CD2-CB 4.07Å; Y283-K336 HydrophobicContact CD2-CD 4.34Å; Y283-K336 HydrophobicContact CD2-CG 4.14Å; Y283-K336 HydrophobicContact CE2-CD 4.09Å; Y283-K336 HydrophobicContact CE2-CG 4.19Å; L284-K336 VanDerWaalsContact O-CA 3.31Å; L284-K336 WeakPolarHBondContact O-CA 3.49Å; L285-K336 HydrophobicContact CD1-CD 4.46Å; L285-K336 HydrophobicContact CD1-CG 3.67Å; A319-K336 CarbonylContact C-O 3.58Å; A319-K336 WeakPolarHBondContact CA-O 3.35Å; A319-K336 VanDerWaalsContact CB-O 3.27Å; A319-K336 WeakPolarHBondContact CB-O 3.41Å; T320-K336 PolarHBondContact N-O 2.96Å; T320-K336 PolarHBondContact O-N 3.22Å; T320-K336 WeakPolarHBondContact OG1-CB 3.36Å
337	A	94.2	Very high	78.3	Confident	0 Å²	0	79 Å²	79	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.8	176.9	0	0	0	0	0	109.7	I249 Y283 L284 I317 A319	I249-A337 HydrophobicContact CD1-CB 4.35Å; Y283-A337 CarbonylContact C-O 3.52Å; Y283-A337 WeakPolarHBondContact CA-O 3.18Å; Y283-A337 VanDerWaalsContact CB-O 3.27Å; Y283-A337 WeakPolarHBondContact CB-O 3.42Å; L284-A337 HydrophobicContact CD1-CB 4.06Å; L284-A337 HydrophobicContact CD2-CB 4.19Å; L284-A337 HydrophobicContact CG-CB 3.91Å; L284-A337 PolarHBondContact N-O 3.41Å; L284-A337 PolarHBondContact O-N 2.75Å; L284-A337 VanDerWaalsContact O-N 3.13Å; I317-A337 HydrophobicContact CD1-CB 4.31Å; A319-A337 HydrophobicContact CB-CB 3.69Å
338	P	90.5	Very high	77.7	Confident	81 Å²	81	79 Å²	79	53%	0.526	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	141.4	177.6	26.9	-33.5	0	0	0	110.5	G318	G318-P338 WeakPolarHBondContact O-CD 3.31Å
339	L	86.6	Confident	77	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.115	38%	0.383	C	S	.	.			trans	-120.4	118.1	172.1	-80.8	-179.8	0	0	0	108.1	F243 P246 I249 N279 D282 L284	F243-L339 HydrophobicContact CD2-CD1 4.16Å; F243-L339 HydrophobicContact CE2-CD1 3.88Å; P246-L339 HydrophobicContact CG-CD2 4.4Å; I249-L339 HydrophobicContact CD1-CD2 4.48Å; N279-L339 WeakPolarHBondContact OD1-CD1 3.44Å; D282-L339 PolarHBondContact O-N 3.4Å; L284-L339 HydrophobicContact CB-CD1 3.73Å; L284-L339 HydrophobicContact CB-CG 4.06Å; L284-L339 HydrophobicContact CD2-CD1 4.4Å; L284-L339 HydrophobicContact CD2-CD2 3.94Å; L284-L339 HydrophobicContact CD2-CG 4.1Å; L284-L339 HydrophobicContact CG-CG 4.37Å
340	N	77.1	Confident	76.1	Confident	85 Å²	85	75 Å²	75	46%	0.455	37%	0.371	S	S	.	.			trans	-82.7	122.6	166.9	-170.5	10.1	0	0	0	108.4	E342 D343	N340-E342 PolarHBondContact O-N 3.06Å; N340-D343 WeakPolarHBondContact CB-OD2 3.25Å; N340-D343 PolarHBondContact O-N 2.99Å
341	K	64.9	Low	75	Confident	110 Å²	110	79.3 Å²	79.3	48%	0.478	39%	0.392	S	S	.	.	S	Bend	trans	-64.2	-26.1	-179.4	-81.6	179.7	175	161.2	0	112.2	D281 D343 S344	D281-K341 WeakPolarHBondContact O-CE 3.22Å; D281-K341 PolarHBondContact O-NZ 3.19Å; D281-K341 IonicContact OD1-NZ 3.09Å; D281-K341 PolarHBondContact OD1-NZ 3.12Å; K341-D343 PolarHBondContact O-N 2.85Å; K341-S344 PolarHBondContact O-N 2.86Å; K341-S344 PolarHBondContact O-OG 2.95Å
342	E	59.3	Low	73.7	Confident	154 Å²	154	83.3 Å²	83.3	72%	0.72	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63.6	-38.1	178.6	-67.3	-179	165.5	0	0	112.4	N340 S344	N340-E342 PolarHBondContact O-N 3.06Å; E342-S344 PolarHBondContact O-N 2.78Å
343	D	52.5	Low	72.1	Confident	92 Å²	92	83.5 Å²	83.5	49%	0.492	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-74.1	-11.6	-178.6	-60.6	-37.9	0	0	0	113.6	N340 K341	N340-D343 WeakPolarHBondContact CB-OD2 3.25Å; N340-D343 PolarHBondContact O-N 2.99Å; K341-D343 PolarHBondContact O-N 2.85Å
344	S	50.4	Low	70.3	Confident	45 Å²	45	88.7 Å²	88.7	32%	0.315	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-84.1	-12.2	-176.4	67.4	0	0	0	0	114.3	K244 K341 E342	K244-S344 WeakPolarHBondContact CD-O 3.39Å; K341-S344 PolarHBondContact O-N 2.86Å; K341-S344 PolarHBondContact O-OG 2.95Å; E342-S344 PolarHBondContact O-N 2.78Å
345	Y	44.7	Very low	68.2	Low	198 Å²	198	93.8 Å²	93.8	78%	0.776	47%	0.47	S	S	*	.			trans	-106.6	2.8	-176.2	-77.5	-79.3	0	0	0	115.7	D347	Y345-D347 PolarHBondContact O-N 3.48Å
346	D	36.5	Very low	65.8	Low	117 Å²	117	101.6 Å²	101.6	63%	0.626	51%	0.509	S	S	*	.			trans	-77.8	110.5	178.4	-83.1	-11.3	0	0	0	112.2	K244	K244-D346 PolarHBondContact NZ-O 2.82Å
347	D	36.6	Very low	63	Low	232 Å²	232	103.3 Å²	103.3	100%	1.241	52%	0.522	S	S	*	.			trans	75.9	0	172.7	-61.5	-22.5	0	0	0	119.3	Y345	Y345-D347 PolarHBondContact O-N 3.48Å

Retrieved 347 of 347 residues in 1318.5 ms (Link to these results)

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