A0A5K4ENE7_SCHMA Loading...

Rab3 GTPase-activating protein catalytic subunit

AlphaFold DB , UniProt , Accession A0A5K4ENE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 911 aa.

						>A0A5K4ENE7_SCHMA|A0A5K4ENE7
MVDVLNKLTFEERNEESFEDYTAVTDWEVFTQELENVLTSWMIKQDTEVSSVCGRLQFCGNLKFGERIFNLNYYKSCIESEQTKNSTHTITSESVPRSYVHAITPMPDFSGRFIIPLFWFGLSHAFILKPDDGEIKGGTRLSLLLSSVEMAVYATRCPVPVLVEHYGPSYFGLAASSCLKSSDYTNYLHNNVNNVSSSLSTSNRIGSLNIDFTSCRIEGEILANCTHLSGLKEIFLTKLGYPWSVNYPVPKLDISARFIYRLPSWSSLRVDYQNTNSLIFSFDLLQRTSMNLSFNLATTWPLVPSHAITEKPSWKSLKPEGAPICQLQLCASNPFADKMSVRIQRFFKSCSKCEQPVHQMTDISSNNPSSVLSSDSVVQFLLFLFPDADAEGVCNKVLHNELTLSFGDLSIHELLIWKRQPIMNSSERQKFASTFGLPNPISLIHRLAVIIANLLVYKHYEFNDCLLLINSMFNELYIELQLRYDRLICLPVQMLYEEVFNKFNINNSNEIIEEEEEASVDENKPLLNAWNHNSIQLINGLKFKDWPIDCYYDLDYILHRFNECILKARESHQHQTLEVQSDDDDDDDGDIYFDVYDETSPSSHDDVKSVRPKTNWLDACSRNDALSEAETILDWLKSRCLLDHLHSLLPHIILECMFTFHSLVPHPRLCKWYSSMLKKLDQEIYDLLKIHSSKSANMDTVSKVTKSFPLSTFCDILEIIAEFSIQFTCFNELIYNVILCDYSYMLDSDIFLNFLCKLSNHVILLENITGQLNSWSPSLGGWISLPNTTTTATATTTIANGNMKETERDMILKFLKMLFDKSIPNELNSTGEGKFQFTSIPQTWLPPDRPVDLRRPNYELYIFYTELPYPNQLTSRLGSHRLYIELYYDKQSSNYKNLLMAGSFSHDTQFF
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	30.7	Very low	198 Å²	198	141.1 Å²	141.1	98%	0.975	72%	0.719	S	S	*	*				0	-51.5	0	-119	-176.7	-137.1	0	0	111.7	D3 V4 L5	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.79Å; M1-V4 PolarHBondContact O-N 3.24Å; M1-L5 PolarHBondContact O-N 3.37Å
2	V	33.9	Very low	30.2	Very low	101 Å²	101	144.4 Å²	144.4	61%	0.612	73%	0.73	S	S	*	*	H	α-helix	trans	-60.8	-38.1	175.1	-179.2	0	0	0	0	112.6	V4 L5 N6	V2-V4 VanDerWaalsContact C-N 3.32Å; V2-V4 PolarHBondContact O-N 3.01Å; V2-L5 PolarHBondContact O-N 3.17Å; V2-N6 PolarHBondContact O-N 2.87Å
3	D	34.9	Very low	29.9	Very low	126 Å²	126	150.6 Å²	150.6	67%	0.674	74%	0.739	S	S	*	*	H	α-helix	trans	-71.6	-21.7	178.4	-61.9	-37.6	0	0	0	114.7	M1 K7	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.79Å; D3-K7 PolarHBondContact O-N 2.85Å
4	V	39.2	Very low	29.8	Very low	98 Å²	98	151 Å²	151	59%	0.594	75%	0.746	S	S	*	*	H	α-helix	trans	-81.1	-35.1	174.8	178.8	0	0	0	0	110.2	M1 V2 K7	M1-V4 PolarHBondContact O-N 3.24Å; V2-V4 VanDerWaalsContact C-N 3.32Å; V2-V4 PolarHBondContact O-N 3.01Å; V4-K7 PolarHBondContact O-N 3.12Å
5	L	30.1	Very low	30.2	Very low	124 Å²	124	151.3 Å²	151.3	65%	0.649	75%	0.745	S	S	*	*	H	α-helix	trans	-66.6	-36.8	173	-81.6	155.6	0	0	0	112.1	M1 V2 K7 L8	M1-L5 PolarHBondContact O-N 3.37Å; V2-L5 PolarHBondContact O-N 3.17Å; L5-K7 VanDerWaalsContact C-N 3.33Å; L5-K7 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 2.83Å
6	N	30.4	Very low	30.6	Very low	103 Å²	103	153.9 Å²	153.9	55%	0.551	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-75.1	-17.2	177.7	-73.8	-12.2	0	0	0	114.1	V2 T9	V2-N6 PolarHBondContact O-N 2.87Å; N6-T9 PolarHBondContact O-OG1 3.21Å; N6-T9 VanDerWaalsContact O-OG1 3.11Å
7	K	33	Very low	31.2	Very low	184 Å²	184	149.9 Å²	149.9	80%	0.8	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-88.5	-9	174.6	-82.4	-174	176	-176.8	0	113.9	D3 V4 L5	D3-K7 PolarHBondContact O-N 2.85Å; V4-K7 PolarHBondContact O-N 3.12Å; L5-K7 VanDerWaalsContact C-N 3.33Å; L5-K7 PolarHBondContact O-N 3.48Å
8	L	26.2	Very low	31.7	Very low	131 Å²	131	150.9 Å²	150.9	69%	0.686	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-97.9	17.8	173.2	-72.2	167.1	0	0	0	112.3	L5 F10	L5-L8 PolarHBondContact O-N 2.83Å; L8-F10 PolarHBondContact O-N 3.27Å; L8-F10 VanDerWaalsContact O-N 3.09Å
9	T	24.6	Very low	32.3	Very low	103 Å²	103	151 Å²	151	63%	0.632	74%	0.743	S	S	*	*			trans	-68.5	106.3	165.3	49.7	0	0	0	0	108	N6 E11	N6-T9 PolarHBondContact O-OG1 3.21Å; N6-T9 VanDerWaalsContact O-OG1 3.11Å; T9-E11 PolarHBondContact O-N 2.61Å; T9-E11 VanDerWaalsContact O-N 3.16Å
10	F	27	Very low	32.8	Very low	196 Å²	196	148.2 Å²	148.2	86%	0.86	73%	0.731	S	S	*	*			trans	-40.8	119.1	166.9	-82.4	-106.6	0	0	0	109.3	L8 E12	L8-F10 PolarHBondContact O-N 3.27Å; L8-F10 VanDerWaalsContact O-N 3.09Å; F10-E12 VanDerWaalsContact C-N 3.31Å; F10-E12 PolarHBondContact O-N 2.96Å
11	E	25.6	Very low	33.4	Very low	188 Å²	188	151.8 Å²	151.8	88%	0.879	74%	0.738	S	S	*	*			trans	-61.5	106.5	153.8	-75.5	-173.7	161.7	0	0	105.1	T9 R13	T9-E11 PolarHBondContact O-N 2.61Å; T9-E11 VanDerWaalsContact O-N 3.16Å; E11-R13 PolarHBondContact O-N 3.35Å
12	E	25.3	Very low	34.4	Very low	181 Å²	181	147.1 Å²	147.1	85%	0.846	72%	0.721	S	S	*	*			trans	-50.7	96.2	159.5	-82.7	175.3	154.9	0	0	106	F10 N14	F10-E12 VanDerWaalsContact C-N 3.31Å; F10-E12 PolarHBondContact O-N 2.96Å; E12-N14 PolarHBondContact O-N 2.87Å
13	R	26.5	Very low	35.6	Very low	225 Å²	225	147.1 Å²	147.1	85%	0.849	73%	0.731	S	S	*	*			trans	-55.8	123.9	149.9	-87.7	-173.4	-175.4	179.3	2.2	103.5	E11 E15	E11-R13 PolarHBondContact O-N 3.35Å; R13-E15 PolarHBondContact O-N 2.62Å
14	N	28.5	Very low	37.1	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	72%	0.719	S	S	*	*			trans	-50.9	93.6	167.8	-67.8	-30	0	0	0	106.8	E12 E16	E12-N14 PolarHBondContact O-N 2.87Å; N14-E16 PolarHBondContact O-N 3.17Å
15	E	36	Very low	39.1	Very low	156 Å²	156	142.9 Å²	142.9	73%	0.729	71%	0.71	S	S	*	*			trans	-57.5	120.8	167.3	-70.6	178.4	165.4	0	0	103.3	R13 S17	R13-E15 PolarHBondContact O-N 2.62Å; E15-S17 PolarHBondContact O-N 3Å
16	E	35.9	Very low	41.5	Very low	192 Å²	192	141.5 Å²	141.5	90%	0.897	70%	0.704	S	S	*	*			trans	-64.8	77.5	164.9	-75.7	-179.6	159.9	0	0	106.3	N14 F18	N14-E16 PolarHBondContact O-N 3.17Å; E16-F18 PolarHBondContact O-N 3.13Å
17	S	40.3	Very low	44	Very low	86 Å²	86	140.1 Å²	140.1	60%	0.601	69%	0.691	S	S	*	*			trans	-61.3	106.9	161	57.8	0	0	0	0	105.2	E15 E19	E15-S17 PolarHBondContact O-N 3Å; S17-E19 PolarHBondContact O-N 3.44Å
18	F	40.7	Very low	46.4	Very low	169 Å²	169	135.6 Å²	135.6	74%	0.741	67%	0.673	S	S	*	*			trans	-61.5	93.3	167.5	-128.1	-94.8	0	0	0	106.7	E16 D20	E16-F18 PolarHBondContact O-N 3.13Å; F18-D20 HydrophobicContact CD1-CB 4.25Å; F18-D20 PolarHBondContact O-N 3.34Å
19	E	43.3	Very low	49.2	Very low	152 Å²	152	132.2 Å²	132.2	71%	0.71	66%	0.657	S	S	*	*			trans	-72.8	68.6	166.1	-69.9	-171.5	175.9	0	0	107.8	S17 Y21	S17-E19 PolarHBondContact O-N 3.44Å; E19-Y21 PolarHBondContact O-N 2.93Å
20	D	42.5	Very low	52.3	Low	94 Å²	94	127.3 Å²	127.3	50%	0.503	63%	0.627	S	S	.	*			trans	-69.3	123.5	169.4	-119.8	-19.1	0	0	0	107.8	F18 T22	F18-D20 HydrophobicContact CD1-CB 4.25Å; F18-D20 PolarHBondContact O-N 3.34Å; D20-T22 PolarHBondContact O-N 2.92Å
21	Y	45.7	Very low	55.2	Low	224 Å²	224	118.4 Å²	118.4	88%	0.878	59%	0.589	S	S	*	*	S	Bend	trans	-66.9	13.4	-176.6	-76	-84.1	0	0	0	114.3	E19	E19-Y21 PolarHBondContact O-N 2.93Å
22	T	53	Low	58.1	Low	100 Å²	100	114.1 Å²	114.1	61%	0.613	57%	0.569	S	S	*	*	S	Bend	trans	-106.4	128.5	171.4	49.4	0	0	0	0	108.4	D20 V24	D20-T22 PolarHBondContact O-N 2.92Å; T22-V24 WeakPolarHBondContact O-CG2 3.48Å; T22-V24 PolarHBondContact O-N 3.34Å
23	A	58.4	Low	61.1	Low	101 Å²	101	108.4 Å²	108.4	84%	0.835	54%	0.542	S	S	*	.			trans	-45.3	94	-176.3	0	0	0	0	0	112.5	T25	A23-T25 PolarHBondContact O-N 3.24Å
24	V	67.9	Low	64.1	Low	67 Å²	67	97.7 Å²	97.7	41%	0.406	50%	0.502	S	S	.	.			trans	-63	124.6	179.8	-175.4	0	0	0	0	106.9	T22 E28 V29	T22-V24 WeakPolarHBondContact O-CG2 3.48Å; T22-V24 PolarHBondContact O-N 3.34Å; V24-E28 HydrophobicContact CG1-CB 3.67Å; V24-V29 HydrophobicContact CB-CG2 4.45Å; V24-V29 HydrophobicContact CG1-CG2 3.64Å
25	T	81.1	Confident	67	Low	68 Å²	68	92.1 Å²	92.1	42%	0.417	47%	0.471	S	S	.	.			trans	-74	149.3	179.6	59.5	0	0	0	0	110.1	A23 W27 E28 V29	A23-T25 PolarHBondContact O-N 3.24Å; T25-W27 PolarHBondContact O-N 2.75Å; T25-E28 PolarHBondContact N-OE2 3.22Å; T25-E28 PolarHBondContact O-N 3.38Å; T25-E28 WeakPolarHBondContact OG1-CG 3.48Å; T25-E28 PolarHBondContact OG1-N 3.36Å; T25-E28 PolarHBondContact OG1-OE2 2.63Å; T25-V29 PolarHBondContact O-N 3.21Å; T25-V29 VanDerWaalsContact O-N 3.11Å
26	D	80	Confident	69.4	Low	96 Å²	96	88.1 Å²	88.1	51%	0.513	45%	0.454	S	S	.	.	H	α-helix	trans	-52.8	-26.5	173.5	-66.3	-29.2	0	0	0	112.4	F30	D26-F30 VanDerWaalsContact O-CB 3.29Å; D26-F30 WeakPolarHBondContact O-CB 3.43Å; D26-F30 PolarHBondContact O-N 3.14Å
27	W	82.6	Confident	71.8	Confident	74 Å²	74	80.2 Å²	80.2	28%	0.28	42%	0.419	S	S	.	.	H	α-helix	trans	-71.1	-41.9	175.6	174.6	74.8	0	0	0	113.5	T25 T31 F64 L143 S147	T25-W27 PolarHBondContact O-N 2.75Å; W27-T31 WeakPolarHBondContact O-CB 3.33Å; W27-T31 PolarHBondContact O-N 3.49Å; W27-T31 PolarHBondContact O-OG1 2.78Å; W27-F64 HydrophobicContact CB-CE2 3.82Å; W27-F64 HydrophobicContact CB-CZ 4.2Å; W27-F64 HydrophobicContact CG-CE2 4.41Å; W27-L143 VanDerWaalsContact CD1-CD2 3.44Å; W27-L143 HydrophobicContact CG-CD2 4.28Å; W27-L143 HydrophobicContact CG-CG 4.46Å; W27-S147 PolarHBondContact NE1-OG 2.98Å
28	E	84	Confident	73.9	Confident	89 Å²	89	76.1 Å²	76.1	42%	0.416	39%	0.391	S	S	.	.	H	α-helix	trans	-65.4	-43.9	174.1	-76.3	157.5	154	0	0	110.6	V24 T25 F30 T31 Q32	V24-E28 HydrophobicContact CG1-CB 3.67Å; T25-E28 PolarHBondContact N-OE2 3.22Å; T25-E28 PolarHBondContact O-N 3.38Å; T25-E28 WeakPolarHBondContact OG1-CG 3.48Å; T25-E28 PolarHBondContact OG1-N 3.36Å; T25-E28 PolarHBondContact OG1-OE2 2.63Å; E28-F30 PolarHBondContact O-N 2.99Å; E28-T31 PolarHBondContact O-N 3.09Å; E28-Q32 WeakPolarHBondContact O-CB 3.37Å; E28-Q32 PolarHBondContact O-N 2.78Å
29	V	84.8	Confident	75.8	Confident	59 Å²	59	71.1 Å²	71.1	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-58.3	-49.9	175.8	-179.7	0	0	0	0	110.8	V24 T25 T31 Q32 E33	V24-V29 HydrophobicContact CB-CG2 4.45Å; V24-V29 HydrophobicContact CG1-CG2 3.64Å; T25-V29 PolarHBondContact O-N 3.21Å; T25-V29 VanDerWaalsContact O-N 3.11Å; V29-T31 VanDerWaalsContact C-N 3.33Å; V29-T31 PolarHBondContact O-N 2.66Å; V29-Q32 PolarHBondContact O-N 3.2Å; V29-E33 HydrophobicContact CG1-CG 4.45Å; V29-E33 WeakPolarHBondContact O-CG 3.31Å; V29-E33 PolarHBondContact O-N 3.23Å
30	F	89.1	Confident	77.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.1	-40.8	179.3	178.6	-93.8	0	0	0	112.8	D26 E28 E33 L34 L62 K63 F64 F69 L128 L144	D26-F30 VanDerWaalsContact O-CB 3.29Å; D26-F30 WeakPolarHBondContact O-CB 3.43Å; D26-F30 PolarHBondContact O-N 3.14Å; E28-F30 PolarHBondContact O-N 2.99Å; F30-E33 PolarHBondContact O-N 2.9Å; F30-L34 WeakPolarHBondContact O-CB 3.48Å; F30-L34 PolarHBondContact O-N 3.43Å; F30-L62 HydrophobicContact CD2-CB 4.06Å; F30-L62 HydrophobicContact CE2-CB 3.55Å; F30-L62 HydrophobicContact CE2-CD1 4.31Å; F30-L62 HydrophobicContact CZ-CB 4.33Å; F30-L62 HydrophobicContact CZ-CD1 4.3Å; F30-K63 WeakPolarHBondContact CD2-O 3.47Å; F30-F64 HydrophobicContact CB-CB 4.44Å; F30-F64 HydrophobicContact CB-CD2 3.72Å; F30-F64 HydrophobicContact CD1-CD2 4.22Å; F30-F64 HydrophobicContact CD2-CB 3.8Å; F30-F64 HydrophobicContact CD2-CD2 4.27Å; F30-F64 HydrophobicContact CE2-CB 4.32Å; F30-F64 HydrophobicContact CG-CB 4.2Å; F30-F64 AromaticContact CG-CD2 3.81Å; F30-F64 HydrophobicContact CG-CD2 3.81Å; F30-F69 HydrophobicContact CE2-CB 4.48Å; F30-F69 AromaticContact CE2-CD2 3.73Å; F30-F69 HydrophobicContact CE2-CD2 3.73Å; F30-F69 HydrophobicContact CE2-CE2 4.26Å; F30-F69 HydrophobicContact CE2-CG 4.26Å; F30-F69 HydrophobicContact CZ-CD2 4.29Å; F30-L128 HydrophobicContact CZ-CD2 4.29Å; F30-L144 HydrophobicContact CD1-CD1 4.47Å; F30-L144 HydrophobicContact CE1-CD1 3.43Å; F30-L144 VanDerWaalsContact CE1-CD1 3.43Å; F30-L144 HydrophobicContact CZ-CD1 3.51Å
31	T	87.5	Confident	78.9	Confident	10 Å²	10	62.6 Å²	62.6	6%	0.061	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-42.3	179.6	-53.7	0	0	0	0	110.5	W27 E28 V29 L34 E35 S147 M150	W27-T31 WeakPolarHBondContact O-CB 3.33Å; W27-T31 PolarHBondContact O-N 3.49Å; W27-T31 PolarHBondContact O-OG1 2.78Å; E28-T31 PolarHBondContact O-N 3.09Å; V29-T31 VanDerWaalsContact C-N 3.33Å; V29-T31 PolarHBondContact O-N 2.66Å; T31-L34 PolarHBondContact O-N 2.82Å; T31-E35 WeakPolarHBondContact O-CG 3.42Å; T31-E35 PolarHBondContact O-N 2.74Å; T31-S147 WeakPolarHBondContact OG1-CB 3.47Å; T31-S147 PolarHBondContact OG1-OG 2.94Å; T31-S147 VanDerWaalsContact OG1-OG 3.04Å; T31-M150 HydrophobicContact CG2-CB 3.98Å
32	Q	87.5	Confident	79.6	Confident	97 Å²	97	54.7 Å²	54.7	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-41.9	175.8	-169.8	63.6	52.5	0	0	112.5	E28 V29 L34 E35 N36	E28-Q32 WeakPolarHBondContact O-CB 3.37Å; E28-Q32 PolarHBondContact O-N 2.78Å; V29-Q32 PolarHBondContact O-N 3.2Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.23Å; Q32-E35 PolarHBondContact O-N 3.31Å; Q32-N36 PolarHBondContact NE2-OD1 3.12Å; Q32-N36 WeakPolarHBondContact O-CB 3.26Å; Q32-N36 PolarHBondContact O-N 2.94Å; Q32-N36 PolarHBondContact O-ND2 2.9Å; Q32-N36 PolarHBondContact O-OD1 2.88Å
33	E	88	Confident	79.5	Confident	61 Å²	61	55 Å²	55	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-59	-43.9	174.4	-76.1	-173	171.9	0	0	111	V29 F30 N36 V37 L62 K63	V29-E33 HydrophobicContact CG1-CG 4.45Å; V29-E33 WeakPolarHBondContact O-CG 3.31Å; V29-E33 PolarHBondContact O-N 3.23Å; F30-E33 PolarHBondContact O-N 2.9Å; E33-N36 PolarHBondContact O-N 3.47Å; E33-V37 VanDerWaalsContact O-CG2 3.31Å; E33-V37 WeakPolarHBondContact O-CG2 3.18Å; E33-V37 PolarHBondContact O-N 2.93Å; E33-L62 HydrophobicContact CB-CD2 3.68Å; E33-K63 PolarHBondContact OE2-N 3.37Å
34	L	89.5	Confident	79.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-43.5	177.8	179.5	63.4	0	0	0	111.7	F30 T31 Q32 V37 L38 L62 L71 V148 A151	F30-L34 WeakPolarHBondContact O-CB 3.48Å; F30-L34 PolarHBondContact O-N 3.43Å; T31-L34 PolarHBondContact O-N 2.82Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.23Å; L34-V37 PolarHBondContact O-N 3.19Å; L34-L38 HydrophobicContact CD1-CD1 4.26Å; L34-L38 HydrophobicContact CD1-CG 4.28Å; L34-L38 HydrophobicContact CG-CD1 4.19Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; L34-L38 PolarHBondContact O-N 3.32Å; L34-L62 HydrophobicContact CB-CD1 4.09Å; L34-L62 HydrophobicContact CB-CD2 4.41Å; L34-L62 HydrophobicContact CD1-CD1 3.54Å; L34-L62 HydrophobicContact CG-CD1 4.35Å; L34-L71 HydrophobicContact CD1-CD2 4.35Å; L34-V148 HydrophobicContact CD2-CB 4.38Å; L34-V148 HydrophobicContact CD2-CG2 3.91Å; L34-A151 HydrophobicContact CB-CB 4.2Å; L34-A151 HydrophobicContact CD2-CB 3.59Å; L34-A151 HydrophobicContact CG-CB 3.7Å
35	E	89.6	Confident	78.4	Confident	39 Å²	39	56.8 Å²	56.8	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-45.5	174.2	-76.1	179.8	-162.7	0	0	112	T31 Q32 L38 T39 A151 A154 T155	T31-E35 WeakPolarHBondContact O-CG 3.42Å; T31-E35 PolarHBondContact O-N 2.74Å; Q32-E35 PolarHBondContact O-N 3.31Å; E35-L38 PolarHBondContact O-N 3.18Å; E35-T39 VanDerWaalsContact O-CB 3.3Å; E35-T39 WeakPolarHBondContact O-CB 3.18Å; E35-T39 PolarHBondContact O-N 3.42Å; E35-T39 PolarHBondContact O-OG1 3.43Å; E35-A151 HydrophobicContact CG-CB 3.59Å; E35-A154 HydrophobicContact CG-CB 4.1Å; E35-A154 WeakPolarHBondContact OE1-CB 3.23Å; E35-T155 HydrophobicContact CB-CG2 4.29Å; E35-T155 HydrophobicContact CG-CG2 4.36Å
36	N	86.6	Confident	76.6	Confident	73 Å²	73	60.8 Å²	60.8	39%	0.39	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-44.1	179.2	-69.6	-10.7	0	0	0	111.3	Q32 E33 T39 S40	Q32-N36 PolarHBondContact NE2-OD1 3.12Å; Q32-N36 WeakPolarHBondContact O-CB 3.26Å; Q32-N36 PolarHBondContact O-N 2.94Å; Q32-N36 PolarHBondContact O-ND2 2.9Å; Q32-N36 PolarHBondContact O-OD1 2.88Å; E33-N36 PolarHBondContact O-N 3.47Å; N36-T39 PolarHBondContact O-N 3.31Å; N36-S40 VanDerWaalsContact O-CB 3.26Å; N36-S40 WeakPolarHBondContact O-CB 3.21Å; N36-S40 PolarHBondContact O-N 3.05Å; N36-S40 PolarHBondContact O-OG 3.39Å
37	V	86.1	Confident	74.7	Confident	26 Å²	26	61.2 Å²	61.2	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-47	177.9	174.1	0	0	0	0	110.9	E33 L34 T39 S40 W41 C59 L62 L71	E33-V37 VanDerWaalsContact O-CG2 3.31Å; E33-V37 WeakPolarHBondContact O-CG2 3.18Å; E33-V37 PolarHBondContact O-N 2.93Å; L34-V37 PolarHBondContact O-N 3.19Å; V37-T39 PolarHBondContact O-N 3.28Å; V37-S40 PolarHBondContact O-N 3.4Å; V37-S40 PolarHBondContact O-OG 3.42Å; V37-W41 WeakPolarHBondContact O-CB 3.37Å; V37-W41 PolarHBondContact O-N 2.95Å; V37-C59 HydrophobicContact CG1-CB 4.36Å; V37-L62 HydrophobicContact CG2-CD2 3.94Å; V37-L71 HydrophobicContact CG1-CD2 3.6Å
38	L	83.4	Confident	72.4	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.7	-43.4	177.3	-72.2	176.3	0	0	0	111.8	L34 E35 W41 M42 F126 A151 V152 T155 V161	L34-L38 HydrophobicContact CD1-CD1 4.26Å; L34-L38 HydrophobicContact CD1-CG 4.28Å; L34-L38 HydrophobicContact CG-CD1 4.19Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; L34-L38 PolarHBondContact O-N 3.32Å; E35-L38 PolarHBondContact O-N 3.18Å; L38-W41 PolarHBondContact O-N 3.41Å; L38-M42 VanDerWaalsContact O-CG 3.29Å; L38-M42 WeakPolarHBondContact O-CG 2.8Å; L38-M42 PolarHBondContact O-N 3Å; L38-F126 HydrophobicContact CD2-CD2 4.01Å; L38-F126 HydrophobicContact CD2-CE1 4.5Å; L38-F126 HydrophobicContact CD2-CE2 3.76Å; L38-F126 HydrophobicContact CD2-CG 4.46Å; L38-F126 HydrophobicContact CD2-CZ 4Å; L38-A151 HydrophobicContact CD1-CB 4.27Å; L38-V152 HydrophobicContact CD1-CG2 4.46Å; L38-T155 HydrophobicContact CB-CG2 4Å; L38-V161 HydrophobicContact CD2-CG2 4.38Å
39	T	81	Confident	70	Confident	64 Å²	64	66 Å²	66	39%	0.393	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-46.4	177.5	-52.5	0	0	0	0	111.3	E35 N36 V37 W41 M42 I43 T155	E35-T39 VanDerWaalsContact O-CB 3.3Å; E35-T39 WeakPolarHBondContact O-CB 3.18Å; E35-T39 PolarHBondContact O-N 3.42Å; E35-T39 PolarHBondContact O-OG1 3.43Å; N36-T39 PolarHBondContact O-N 3.31Å; V37-T39 PolarHBondContact O-N 3.28Å; T39-W41 VanDerWaalsContact C-N 3.28Å; T39-W41 PolarHBondContact O-N 3.25Å; T39-M42 PolarHBondContact O-N 3.03Å; T39-I43 HydrophobicContact CG2-CD1 4.19Å; T39-I43 WeakPolarHBondContact O-CD1 3.34Å; T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.31Å; T39-I43 PolarHBondContact O-N 3.28Å; T39-I43 VanDerWaalsContact O-N 3.1Å; T39-T155 WeakPolarHBondContact OG1-CG2 3.45Å
40	S	77.1	Confident	67.5	Low	51 Å²	51	67.5 Å²	67.5	36%	0.357	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-36	178.4	76.7	0	0	0	0	112.5	N36 V37 K44	N36-S40 VanDerWaalsContact O-CB 3.26Å; N36-S40 WeakPolarHBondContact O-CB 3.21Å; N36-S40 PolarHBondContact O-N 3.05Å; N36-S40 PolarHBondContact O-OG 3.39Å; V37-S40 PolarHBondContact O-N 3.4Å; V37-S40 PolarHBondContact O-OG 3.42Å; S40-K44 WeakPolarHBondContact O-CG 3.46Å; S40-K44 PolarHBondContact O-N 3.39Å
41	W	73.3	Confident	64.9	Low	16 Å²	16	73.4 Å²	73.4	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-71.5	-42.2	177.2	178.5	92.4	0	0	0	112.1	V37 L38 T39 I43 K44 Q45 Y73 F126 V159	V37-W41 WeakPolarHBondContact O-CB 3.37Å; V37-W41 PolarHBondContact O-N 2.95Å; L38-W41 PolarHBondContact O-N 3.41Å; T39-W41 VanDerWaalsContact C-N 3.28Å; T39-W41 PolarHBondContact O-N 3.25Å; W41-I43 PolarHBondContact O-N 3.42Å; W41-K44 PolarHBondContact O-N 2.9Å; W41-Q45 HydrophobicContact CD2-CG 4.31Å; W41-Q45 HydrophobicContact CE3-CG 4.26Å; W41-Q45 HydrophobicContact CH2-CG 3.89Å; W41-Q45 HydrophobicContact CZ2-CG 3.89Å; W41-Q45 HydrophobicContact CZ3-CG 4.06Å; W41-Q45 PolarHBondContact O-N 2.92Å; W41-Q45 VanDerWaalsContact O-N 3.14Å; W41-Y73 HydrophobicContact CH2-CD2 4.15Å; W41-Y73 AromaticContact CH2-CE2 3.77Å; W41-Y73 HydrophobicContact CH2-CE2 3.77Å; W41-Y73 HydrophobicContact CZ2-CD1 4.07Å; W41-Y73 AromaticContact CZ2-CD2 3.51Å; W41-Y73 HydrophobicContact CZ2-CD2 3.51Å; W41-Y73 AromaticContact CZ2-CE1 3.96Å; W41-Y73 HydrophobicContact CZ2-CE1 3.96Å; W41-Y73 AromaticContact CZ2-CE2 3.4Å; W41-Y73 HydrophobicContact CZ2-CE2 3.4Å; W41-Y73 AromaticContact CZ2-CG 3.84Å; W41-Y73 HydrophobicContact CZ2-CG 3.84Å; W41-Y73 AromaticContact CZ2-CZ 3.62Å; W41-F126 HydrophobicContact CD2-CE1 4.06Å; W41-F126 HydrophobicContact CD2-CE2 4.45Å; W41-F126 AromaticContact CD2-CZ 3.42Å; W41-F126 HydrophobicContact CD2-CZ 3.42Å; W41-F126 VanDerWaalsContact CD2-CZ 3.42Å; W41-F126 AromaticContact CE2-CZ 3.6Å; W41-F126 HydrophobicContact CE3-CE2 4.13Å; W41-F126 AromaticContact CE3-CZ 3.5Å; W41-F126 HydrophobicContact CE3-CZ 3.5Å; W41-F126 VanDerWaalsContact CE3-CZ 3.5Å; W41-F126 HydrophobicContact CG-CE1 4.18Å; W41-F126 AromaticContact CG-CZ 3.91Å; W41-F126 HydrophobicContact CG-CZ 3.91Å; W41-F126 HydrophobicContact CH2-CE2 4.18Å; W41-F126 AromaticContact CH2-CZ 3.87Å; W41-F126 HydrophobicContact CH2-CZ 3.87Å; W41-F126 HydrophobicContact CZ2-CE1 4.4Å; W41-F126 AromaticContact CZ2-CZ 3.84Å; W41-F126 HydrophobicContact CZ2-CZ 3.84Å; W41-F126 AromaticContact CZ3-CE2 4Å; W41-F126 HydrophobicContact CZ3-CE2 4Å; W41-F126 AromaticContact CZ3-CZ 3.73Å; W41-F126 HydrophobicContact CZ3-CZ 3.73Å; W41-V159 HydrophobicContact CH2-CG2 3.77Å; W41-V159 HydrophobicContact CZ3-CG2 4.03Å
42	M	60.9	Low	62.1	Low	58 Å²	58	77.7 Å²	77.7	29%	0.286	43%	0.427	S	S	.	.	H	α-helix	trans	-57.4	-41.5	175.2	-74.2	-68.7	-68.3	0	0	110.8	L38 T39 K44 Q45 P158	L38-M42 VanDerWaalsContact O-CG 3.29Å; L38-M42 WeakPolarHBondContact O-CG 2.8Å; L38-M42 PolarHBondContact O-N 3Å; T39-M42 PolarHBondContact O-N 3.03Å; M42-K44 VanDerWaalsContact C-N 3.32Å; M42-K44 PolarHBondContact O-N 2.66Å; M42-Q45 PolarHBondContact O-N 3.2Å; M42-P158 HydrophobicContact CE-CG 4.01Å; M42-P158 HydrophobicContact SD-CG 4.3Å
43	I	51.7	Low	59.5	Low	105 Å²	105	77 Å²	77	54%	0.538	43%	0.432	S	S	.	.	H	α-helix	trans	-62.7	-36.3	176	-64.9	163.5	0	0	0	111.9	T39 W41	T39-I43 HydrophobicContact CG2-CD1 4.19Å; T39-I43 WeakPolarHBondContact O-CD1 3.34Å; T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.31Å; T39-I43 PolarHBondContact O-N 3.28Å; T39-I43 VanDerWaalsContact O-N 3.1Å; W41-I43 PolarHBondContact O-N 3.42Å
44	K	54.6	Low	57.2	Low	132 Å²	132	76.9 Å²	76.9	57%	0.574	45%	0.447	S	S	*	.	H	α-helix	trans	-73.6	-26.8	179.6	-72.8	176.3	-178.2	178.6	0	113.8	S40 W41 M42 D46 T47 E48	S40-K44 WeakPolarHBondContact O-CG 3.46Å; S40-K44 PolarHBondContact O-N 3.39Å; W41-K44 PolarHBondContact O-N 2.9Å; M42-K44 VanDerWaalsContact C-N 3.32Å; M42-K44 PolarHBondContact O-N 2.66Å; K44-D46 VanDerWaalsContact C-N 3.28Å; K44-D46 PolarHBondContact O-N 3.41Å; K44-T47 PolarHBondContact O-N 3.44Å; K44-T47 PolarHBondContact O-OG1 2.95Å; K44-E48 PolarHBondContact O-N 3.34Å; K44-E48 VanDerWaalsContact O-N 3.12Å
45	Q	48.9	Very low	55	Low	75 Å²	75	86.2 Å²	86.2	35%	0.35	48%	0.482	S	S	.	.	H	α-helix	trans	-65.2	-32.3	174.6	-78.4	-151.8	-26	0	0	112.8	W41 M42 T47	W41-Q45 HydrophobicContact CD2-CG 4.31Å; W41-Q45 HydrophobicContact CE3-CG 4.26Å; W41-Q45 HydrophobicContact CH2-CG 3.89Å; W41-Q45 HydrophobicContact CZ2-CG 3.89Å; W41-Q45 HydrophobicContact CZ3-CG 4.06Å; W41-Q45 PolarHBondContact O-N 2.92Å; W41-Q45 VanDerWaalsContact O-N 3.14Å; M42-Q45 PolarHBondContact O-N 3.2Å; Q45-T47 VanDerWaalsContact C-N 3.25Å; Q45-T47 PolarHBondContact O-N 2.83Å
46	D	42.1	Very low	53.3	Low	152 Å²	152	88.6 Å²	88.6	81%	0.813	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.5	178.3	-76	-24	0	0	0	112.5	K44	K44-D46 VanDerWaalsContact C-N 3.28Å; K44-D46 PolarHBondContact O-N 3.41Å
47	T	41.3	Very low	52.3	Low	104 Å²	104	90 Å²	90	64%	0.638	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-35.9	-173.4	44.8	0	0	0	0	115.4	K44 Q45	K44-T47 PolarHBondContact O-N 3.44Å; K44-T47 PolarHBondContact O-OG1 2.95Å; Q45-T47 VanDerWaalsContact C-N 3.25Å; Q45-T47 PolarHBondContact O-N 2.83Å
48	E	34.4	Very low	51.7	Low	161 Å²	161	94.3 Å²	94.3	75%	0.752	52%	0.516	S	S	*	.			trans	-145.7	72.3	-167.5	-67.7	-179	175.2	0	0	113.7	K44 S50	K44-E48 PolarHBondContact O-N 3.34Å; K44-E48 VanDerWaalsContact O-N 3.12Å; E48-S50 PolarHBondContact O-N 3.11Å
49	V	33.5	Very low	51.3	Low	102 Å²	102	95.8 Å²	95.8	62%	0.618	53%	0.527	S	S	*	.			trans	-96.4	78.3	162.9	-168.2	0	0	0	0	109.2
50	S	30.5	Very low	51.3	Low	91 Å²	91	93.4 Å²	93.4	64%	0.636	51%	0.514	S	S	*	.			trans	-62.3	137.1	158.6	60.2	0	0	0	0	109.2	E48 V52	E48-S50 PolarHBondContact O-N 3.11Å; S50-V52 PolarHBondContact O-N 3.3Å
51	S	35.1	Very low	51.7	Low	124 Å²	124	95.1 Å²	95.1	87%	0.867	52%	0.52	S	S	*	.			trans	-73.8	52.1	-170.3	52.7	0	0	0	0	114.2	C53	S51-C53 PolarHBondContact O-N 3.23Å
52	V	28.9	Very low	52.4	Low	101 Å²	101	94.4 Å²	94.4	61%	0.612	52%	0.517	S	S	*	.			trans	-96.8	97	178.6	-170.3	0	0	0	0	110.2	S50	S50-V52 PolarHBondContact O-N 3.3Å
53	C	32.4	Very low	53.5	Low	82 Å²	82	97.3 Å²	97.3	55%	0.554	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	142.7	-176.6	176.7	0	0	0	0	113.4	S51 R55 C77	S51-C53 PolarHBondContact O-N 3.23Å; C53-R55 PolarHBondContact O-N 3.46Å; C53-C77 WeakPolarHBondContact CA-SG 3.48Å; C53-C77 HydrophobicContact CB-CB 4.47Å; C53-C77 WeakPolarHBondContact CB-SG 3.48Å; C53-C77 WeakPolarHBondContact SG-CB 3.4Å; C53-C77 CovalentContact SG-SG 2.04Å; C53-C77 PolarHBondContact SG-SG 2.96Å
54	G	40.5	Very low	55	Low	58 Å²	58	95.3 Å²	95.3	60%	0.598	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	14.9	162	0	0	0	0	0	118.4
55	R	43.7	Very low	56.1	Low	197 Å²	197	90.7 Å²	90.7	74%	0.743	51%	0.506	S	S	*	.			trans	-109	146.7	179	-77.6	-172.7	174.8	-177.2	0.2	114.4	C53 Q57	C53-R55 PolarHBondContact O-N 3.46Å; R55-Q57 PolarHBondContact O-N 3.32Å
56	L	53.1	Low	57.4	Low	88 Å²	88	96.9 Å²	96.9	46%	0.461	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-59.7	120.4	160.8	-174.2	89	0	0	0	109.1	N72 Y74	L56-N72 HydrophobicContact CD1-CB 3.64Å; L56-N72 HydrophobicContact CG-CB 4.13Å; L56-Y74 HydrophobicContact CD1-CD1 3.94Å; L56-Y74 HydrophobicContact CD1-CD2 4.01Å; L56-Y74 HydrophobicContact CD1-CE1 3.23Å; L56-Y74 HydrophobicContact CD1-CE2 3.27Å; L56-Y74 HydrophobicContact CD1-CG 4.31Å; L56-Y74 WeakPolarHBondContact CD1-OH 3.21Å
57	Q	65.9	Low	59.4	Low	104 Å²	104	93.2 Å²	93.2	49%	0.486	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.2	168.4	-171.8	176	10.7	0	0	108.9	R55 C59 N72 Y73	R55-Q57 PolarHBondContact O-N 3.32Å; Q57-C59 PolarHBondContact O-N 3.07Å; Q57-C59 PolarHBondContact O-SG 3.49Å; Q57-N72 CarbonylContact O-C 3.53Å; Q57-N72 WeakPolarHBondContact O-CA 3.5Å; Q57-Y73 HydrophobicContact CB-CD1 4.43Å; Q57-Y73 PolarHBondContact N-O 3.21Å; Q57-Y73 PolarHBondContact O-N 3.35Å
58	F	73.2	Confident	61.6	Low	115 Å²	115	91.2 Å²	91.2	50%	0.504	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.9	171.9	177.5	-101.8	0	0	0	109.2	G60 N61 N70 N72	F58-G60 VanDerWaalsContact CZ-C 3.45Å; F58-N61 WeakPolarHBondContact CE2-OD1 3.35Å; F58-N61 WeakPolarHBondContact CZ-OD1 3.5Å; F58-N70 HydrophobicContact CE2-CB 4.42Å; F58-N72 WeakPolarHBondContact CD2-OD1 3.25Å
59	C	75.1	Confident	64.1	Low	32 Å²	32	84 Å²	84	22%	0.216	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-33	-176.2	-62.1	0	0	0	0	112.3	V37 Q57 L71 Y73	V37-C59 HydrophobicContact CG1-CB 4.36Å; Q57-C59 PolarHBondContact O-N 3.07Å; Q57-C59 PolarHBondContact O-SG 3.49Å; C59-L71 HydrophobicContact CB-CB 4.37Å; C59-L71 HydrophobicContact CB-CD2 4.1Å; C59-L71 HydrophobicContact CB-CG 4.18Å; C59-L71 WeakPolarHBondContact CB-O 3.3Å; C59-L71 PolarHBondContact N-O 2.91Å; C59-Y73 WeakPolarHBondContact SG-CB 3.25Å; C59-Y73 PolarHBondContact SG-N 3.25Å
60	G	80.5	Confident	66.6	Low	13 Å²	13	80.1 Å²	80.1	13%	0.134	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	173.7	178.4	0	0	0	0	0	113.6	F58 L71	F58-G60 VanDerWaalsContact CZ-C 3.45Å; G60-L71 PolarHBondContact N-O 3.24Å; G60-L71 PolarHBondContact O-N 2.83Å
61	N	86.5	Confident	69.4	Low	88 Å²	88	75.8 Å²	75.8	47%	0.471	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.7	172.4	-73	-17.2	0	0	0	109.6	F58 I68 F69 N70	F58-N61 WeakPolarHBondContact CE2-OD1 3.35Å; F58-N61 WeakPolarHBondContact CZ-OD1 3.5Å; N61-I68 HydrophobicContact CB-CG2 4.03Å; N61-F69 CarbonylContact C-O 3.52Å; N61-F69 VanDerWaalsContact CA-O 3.29Å; N61-F69 WeakPolarHBondContact CA-O 3.27Å; N61-N70 PolarHBondContact OD1-OD1 2.6Å
62	L	88.6	Confident	71.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.3	179.1	-59	168.7	0	0	0	109.2	F30 E33 L34 V37 I68 F69 L128	F30-L62 HydrophobicContact CD2-CB 4.06Å; F30-L62 HydrophobicContact CE2-CB 3.55Å; F30-L62 HydrophobicContact CE2-CD1 4.31Å; F30-L62 HydrophobicContact CZ-CB 4.33Å; F30-L62 HydrophobicContact CZ-CD1 4.3Å; E33-L62 HydrophobicContact CB-CD2 3.68Å; L34-L62 HydrophobicContact CB-CD1 4.09Å; L34-L62 HydrophobicContact CB-CD2 4.41Å; L34-L62 HydrophobicContact CD1-CD1 3.54Å; L34-L62 HydrophobicContact CG-CD1 4.35Å; V37-L62 HydrophobicContact CG2-CD2 3.94Å; L62-I68 CarbonylContact O-C 3.57Å; L62-I68 WeakPolarHBondContact O-CA 3.41Å; L62-F69 HydrophobicContact CB-CB 4.37Å; L62-F69 PolarHBondContact N-O 3.48Å; L62-F69 PolarHBondContact O-N 3.27Å; L62-L128 HydrophobicContact CD1-CD1 3.78Å
63	K	83.4	Confident	74.1	Confident	120 Å²	120	66.6 Å²	66.6	52%	0.522	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.4	-178.6	-68.3	-179.9	-175.3	171.1	0	111.6	F30 E33 R67 I68	F30-K63 WeakPolarHBondContact CD2-O 3.47Å; E33-K63 PolarHBondContact OE2-N 3.37Å; K63-R67 WeakPolarHBondContact CA-O 3.49Å; K63-I68 HydrophobicContact CG-CG1 4.33Å
64	F	82.6	Confident	75.8	Confident	62 Å²	62	65.3 Å²	65.3	27%	0.272	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	98.4	167	-169.4	-79	0	0	0	108.4	W27 F30 E66 R67 F69 L143	W27-F64 HydrophobicContact CB-CE2 3.82Å; W27-F64 HydrophobicContact CB-CZ 4.2Å; W27-F64 HydrophobicContact CG-CE2 4.41Å; F30-F64 HydrophobicContact CB-CB 4.44Å; F30-F64 HydrophobicContact CB-CD2 3.72Å; F30-F64 HydrophobicContact CD1-CD2 4.22Å; F30-F64 HydrophobicContact CD2-CB 3.8Å; F30-F64 HydrophobicContact CD2-CD2 4.27Å; F30-F64 HydrophobicContact CE2-CB 4.32Å; F30-F64 HydrophobicContact CG-CB 4.2Å; F30-F64 AromaticContact CG-CD2 3.81Å; F30-F64 HydrophobicContact CG-CD2 3.81Å; F64-E66 PolarHBondContact O-N 2.99Å; F64-E66 VanDerWaalsContact O-N 3.16Å; F64-R67 PolarHBondContact N-O 3.06Å; F64-R67 PolarHBondContact O-N 3.2Å; F64-F69 HydrophobicContact CB-CE2 3.94Å; F64-L143 HydrophobicContact CD2-CD2 4.5Å; F64-L143 HydrophobicContact CE2-CD2 3.45Å; F64-L143 VanDerWaalsContact CE2-CD2 3.45Å; F64-L143 HydrophobicContact CZ-CD2 3.51Å
65	G	77.6	Confident	77	Confident	36 Å²	36	67.7 Å²	67.7	37%	0.371	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-116.7	-169.3	0	0	0	0	0	110.8
66	E	77.4	Confident	77.3	Confident	204 Å²	204	59.6 Å²	59.6	95%	0.953	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.6	177.7	-61.7	-176.2	167.2	0	0	114.2	F64	F64-E66 PolarHBondContact O-N 2.99Å; F64-E66 VanDerWaalsContact O-N 3.16Å
67	R	83.4	Confident	76.8	Confident	76 Å²	76	58.1 Å²	58.1	29%	0.287	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.3	-173	-163.5	171.1	-168.9	176.4	3.3	111.8	K63 F64 F69 D132 E134	K63-R67 WeakPolarHBondContact CA-O 3.49Å; F64-R67 PolarHBondContact N-O 3.06Å; F64-R67 PolarHBondContact O-N 3.2Å; R67-F69 HydrophobicContact CB-CE2 4.35Å; R67-F69 HydrophobicContact CG-CE2 4.15Å; R67-F69 HydrophobicContact CG-CZ 4.47Å; R67-D132 PolarHBondContact NH2-O 2.95Å; R67-E134 PolarHBondContact NH1-O 3.22Å; R67-E134 PolarHBondContact NH2-O 3.42Å
68	I	86.4	Confident	75.5	Confident	61 Å²	61	59 Å²	59	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.3	-179.3	-56.5	168.8	0	0	0	110.3	N61 L62 K63 D131	N61-I68 HydrophobicContact CB-CG2 4.03Å; L62-I68 CarbonylContact O-C 3.57Å; L62-I68 WeakPolarHBondContact O-CA 3.41Å; K63-I68 HydrophobicContact CG-CG1 4.33Å; I68-D131 HydrophobicContact CB-CB 4.23Å; I68-D131 HydrophobicContact CG2-CB 4.34Å; I68-D131 PolarHBondContact O-N 2.84Å
69	F	88.9	Confident	73.4	Confident	11 Å²	11	62.3 Å²	62.3	5%	0.048	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.8	172.5	-64.8	-98.9	0	0	0	110.3	F30 N61 L62 F64 R67 L128 K129 P130 I135 L144	F30-F69 HydrophobicContact CE2-CB 4.48Å; F30-F69 AromaticContact CE2-CD2 3.73Å; F30-F69 HydrophobicContact CE2-CD2 3.73Å; F30-F69 HydrophobicContact CE2-CE2 4.26Å; F30-F69 HydrophobicContact CE2-CG 4.26Å; F30-F69 HydrophobicContact CZ-CD2 4.29Å; N61-F69 CarbonylContact C-O 3.52Å; N61-F69 VanDerWaalsContact CA-O 3.29Å; N61-F69 WeakPolarHBondContact CA-O 3.27Å; L62-F69 HydrophobicContact CB-CB 4.37Å; L62-F69 PolarHBondContact N-O 3.48Å; L62-F69 PolarHBondContact O-N 3.27Å; F64-F69 HydrophobicContact CB-CE2 3.94Å; R67-F69 HydrophobicContact CB-CE2 4.35Å; R67-F69 HydrophobicContact CG-CE2 4.15Å; R67-F69 HydrophobicContact CG-CZ 4.47Å; F69-L128 HydrophobicContact CB-CD1 3.66Å; F69-L128 HydrophobicContact CB-CG 4.34Å; F69-L128 HydrophobicContact CD1-CG 4.35Å; F69-L128 HydrophobicContact CG-CD1 4.45Å; F69-K129 CarbonylContact C-O 3.48Å; F69-K129 WeakPolarHBondContact CA-O 3.47Å; F69-P130 HydrophobicContact CD1-CB 4.1Å; F69-P130 HydrophobicContact CE1-CB 4Å; F69-I135 HydrophobicContact CE1-CD1 4.07Å; F69-L144 HydrophobicContact CE1-CD1 4.47Å; F69-L144 HydrophobicContact CE1-CD2 3.83Å; F69-L144 HydrophobicContact CZ-CD1 4.47Å; F69-L144 HydrophobicContact CZ-CD2 4.27Å
70	N	85.9	Confident	71	Confident	19 Å²	19	66 Å²	66	10%	0.102	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.7	179	-56.5	-14.3	0	0	0	108.4	F58 N61 K129 D131	F58-N70 HydrophobicContact CE2-CB 4.42Å; N61-N70 PolarHBondContact OD1-OD1 2.6Å; N70-K129 PolarHBondContact N-O 3.33Å; N70-K129 PolarHBondContact O-N 3.07Å; N70-D131 PolarHBondContact ND2-OD1 2.95Å
71	L	87.9	Confident	68.3	Low	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.8	173.5	-171.4	71.3	0	0	0	109.6	L34 V37 C59 G60 F126 L128	L34-L71 HydrophobicContact CD1-CD2 4.35Å; V37-L71 HydrophobicContact CG1-CD2 3.6Å; C59-L71 HydrophobicContact CB-CB 4.37Å; C59-L71 HydrophobicContact CB-CD2 4.1Å; C59-L71 HydrophobicContact CB-CG 4.18Å; C59-L71 WeakPolarHBondContact CB-O 3.3Å; C59-L71 PolarHBondContact N-O 2.91Å; G60-L71 PolarHBondContact N-O 3.24Å; G60-L71 PolarHBondContact O-N 2.83Å; L71-F126 HydrophobicContact CD1-CB 3.92Å; L71-F126 HydrophobicContact CD1-CD1 4.29Å; L71-F126 HydrophobicContact CD1-CG 4.42Å; L71-F126 HydrophobicContact CD2-CD1 4.21Å; L71-F126 HydrophobicContact CG-CD1 4.12Å; L71-L128 HydrophobicContact CB-CD1 4.37Å; L71-L128 HydrophobicContact CD1-CB 4.1Å; L71-L128 HydrophobicContact CD1-CD1 4.14Å
72	N	82.7	Confident	65.4	Low	14 Å²	14	78.4 Å²	78.4	8%	0.075	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.1	179.1	-65.2	-58.8	0	0	0	110.9	L56 Q57 F58 Y74 F126 I127	L56-N72 HydrophobicContact CD1-CB 3.64Å; L56-N72 HydrophobicContact CG-CB 4.13Å; Q57-N72 CarbonylContact O-C 3.53Å; Q57-N72 WeakPolarHBondContact O-CA 3.5Å; F58-N72 WeakPolarHBondContact CD2-OD1 3.25Å; N72-Y74 HydrophobicContact CB-CD2 4.3Å; N72-Y74 HydrophobicContact CB-CE2 3.7Å; N72-F126 CarbonylContact O-C 3.58Å; N72-F126 WeakPolarHBondContact O-CA 3.46Å; N72-I127 PolarHBondContact N-O 2.89Å; N72-I127 PolarHBondContact O-N 3.24Å
73	Y	80.8	Confident	62.5	Low	18 Å²	18	84.6 Å²	84.6	7%	0.071	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.9	171.5	176	-107.9	0	0	0	111	W41 Q57 C59 K75 H124 F126 V159	W41-Y73 HydrophobicContact CH2-CD2 4.15Å; W41-Y73 AromaticContact CH2-CE2 3.77Å; W41-Y73 HydrophobicContact CH2-CE2 3.77Å; W41-Y73 HydrophobicContact CZ2-CD1 4.07Å; W41-Y73 AromaticContact CZ2-CD2 3.51Å; W41-Y73 HydrophobicContact CZ2-CD2 3.51Å; W41-Y73 AromaticContact CZ2-CE1 3.96Å; W41-Y73 HydrophobicContact CZ2-CE1 3.96Å; W41-Y73 AromaticContact CZ2-CE2 3.4Å; W41-Y73 HydrophobicContact CZ2-CE2 3.4Å; W41-Y73 AromaticContact CZ2-CG 3.84Å; W41-Y73 HydrophobicContact CZ2-CG 3.84Å; W41-Y73 AromaticContact CZ2-CZ 3.62Å; Q57-Y73 HydrophobicContact CB-CD1 4.43Å; Q57-Y73 PolarHBondContact N-O 3.21Å; Q57-Y73 PolarHBondContact O-N 3.35Å; C59-Y73 WeakPolarHBondContact SG-CB 3.25Å; C59-Y73 PolarHBondContact SG-N 3.25Å; Y73-K75 HydrophobicContact CE1-CB 4.05Å; Y73-H124 HydrophobicContact CE2-CB 3.91Å; Y73-H124 WeakPolarHBondContact OH-CB 3.42Å; Y73-F126 HydrophobicContact CD2-CD1 4.15Å; Y73-F126 AromaticContact CD2-CE1 3.95Å; Y73-F126 HydrophobicContact CD2-CE1 3.95Å; Y73-F126 HydrophobicContact CD2-CE2 4.49Å; Y73-F126 HydrophobicContact CD2-CZ 4.15Å; Y73-F126 HydrophobicContact CG-CE1 4.27Å; Y73-V159 HydrophobicContact CD2-CG1 4.48Å; Y73-V159 HydrophobicContact CE2-CG1 4.11Å
74	Y	68.7	Low	59.7	Low	55 Å²	55	88.3 Å²	88.3	22%	0.216	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.7	177.2	-68.9	-103.6	0	0	0	110.3	L56 N72 H124 A125 I127	L56-Y74 HydrophobicContact CD1-CD1 3.94Å; L56-Y74 HydrophobicContact CD1-CD2 4.01Å; L56-Y74 HydrophobicContact CD1-CE1 3.23Å; L56-Y74 HydrophobicContact CD1-CE2 3.27Å; L56-Y74 HydrophobicContact CD1-CG 4.31Å; L56-Y74 WeakPolarHBondContact CD1-OH 3.21Å; N72-Y74 HydrophobicContact CB-CD2 4.3Å; N72-Y74 HydrophobicContact CB-CE2 3.7Å; Y74-H124 CarbonylContact O-C 3.49Å; Y74-H124 WeakPolarHBondContact O-CA 3.3Å; Y74-H124 WeakPolarHBondContact O-CB 3.3Å; Y74-A125 PolarHBondContact N-O 3.14Å; Y74-A125 PolarHBondContact O-N 2.96Å; Y74-I127 HydrophobicContact CD2-CB 4.14Å; Y74-I127 HydrophobicContact CD2-CD1 3.6Å; Y74-I127 HydrophobicContact CD2-CG1 3.56Å; Y74-I127 HydrophobicContact CE1-CD1 4.36Å; Y74-I127 HydrophobicContact CE2-CB 3.68Å; Y74-I127 HydrophobicContact CE2-CD1 3.27Å; Y74-I127 HydrophobicContact CE2-CG1 3.45Å; Y74-I127 VanDerWaalsContact CE2-CG1 3.45Å; Y74-I127 HydrophobicContact CG-CD1 4.26Å
75	K	64.6	Low	57	Low	109 Å²	109	92.6 Å²	92.6	47%	0.474	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	119.4	170.8	-174.9	179.1	179.5	-177.9	0	110.2	Y73 S123 H124	Y73-K75 HydrophobicContact CE1-CB 4.05Å; K75-S123 CarbonylContact C-O 3.59Å; K75-S123 WeakPolarHBondContact CA-O 3.4Å; K75-H124 HydrophobicContact CB-CB 4.28Å; K75-H124 HydrophobicContact CG-CB 4.36Å
76	S	51.3	Low	54.4	Low	26 Å²	26	96.8 Å²	96.8	18%	0.182	50%	0.495	C	S	.	.			trans	-72.8	122.9	164.7	-179.3	0	0	0	0	108.9	S123	S76-S123 WeakPolarHBondContact CA-O 3.02Å; S76-S123 WeakPolarHBondContact CB-O 3.18Å; S76-S123 PolarHBondContact N-O 3.32Å
77	C	41.1	Very low	51.8	Low	58 Å²	58	92.7 Å²	92.7	39%	0.392	48%	0.484	S	S	.	.			trans	-86.3	123	164.3	-61.7	0	0	0	0	108.2	C53	C53-C77 WeakPolarHBondContact CA-SG 3.48Å; C53-C77 HydrophobicContact CB-CB 4.47Å; C53-C77 WeakPolarHBondContact CB-SG 3.48Å; C53-C77 WeakPolarHBondContact SG-CB 3.4Å; C53-C77 CovalentContact SG-SG 2.04Å; C53-C77 PolarHBondContact SG-SG 2.96Å
78	I	39.2	Very low	48.8	Very low	121 Å²	121	96.9 Å²	96.9	62%	0.621	51%	0.507	S	S	*	.			trans	-112.1	117	157.9	-58.5	172	0	0	0	103.3	S80	I78-S80 PolarHBondContact O-N 3.33Å
79	E	29.2	Very low	45.7	Very low	186 Å²	186	99.4 Å²	99.4	87%	0.869	53%	0.525	S	S	*	.			trans	-63.1	104.8	179.2	-74.1	173.3	174.3	0	0	109.4
80	S	25.2	Very low	42.5	Very low	109 Å²	109	104 Å²	104	76%	0.762	55%	0.548	S	S	*	.			trans	-113.7	89.2	156.6	61.2	0	0	0	0	106.6	I78 Q82	I78-S80 PolarHBondContact O-N 3.33Å; S80-Q82 PolarHBondContact O-N 3.17Å; S80-Q82 VanDerWaalsContact O-N 3.1Å
81	E	23.8	Very low	39.5	Very low	188 Å²	188	109.5 Å²	109.5	88%	0.879	58%	0.583	S	S	*	*			trans	-65.6	103.9	160	-72.8	-173.9	157.6	0	0	107.2
82	Q	25.6	Very low	36.3	Very low	174 Å²	174	113.4 Å²	113.4	81%	0.813	61%	0.611	S	S	*	*			trans	-170.2	121.7	139.4	-102.7	173.2	28.3	0	0	111.8	S80	S80-Q82 PolarHBondContact O-N 3.17Å; S80-Q82 VanDerWaalsContact O-N 3.1Å
83	T	26.6	Very low	33.4	Very low	129 Å²	129	121.7 Å²	121.7	79%	0.791	65%	0.649	S	S	*	*			trans	74.3	98.1	144.4	62.5	0	0	0	0	119.5
84	K	23.8	Very low	30.7	Very low	198 Å²	198	126 Å²	126	86%	0.861	68%	0.682	S	S	*	*			trans	-109.9	133.3	136	-81.7	-173.6	176.4	-178.2	0	108.6
85	N	25.9	Very low	28.4	Very low	152 Å²	152	130.1 Å²	130.1	81%	0.813	71%	0.712	S	S	*	*			trans	93.9	89.1	166.4	-52.2	-7.5	0	0	0	117.2
86	S	23.9	Very low	26.5	Very low	124 Å²	124	130.5 Å²	130.5	87%	0.867	73%	0.726	S	S	*	*				177.9	145.4	101.6	47.7	0	0	0	0	113
87	T	21.9	Very low	25.1	Very low	119 Å²	119	139.8 Å²	139.8	73%	0.73	76%	0.757	S	S	*	*			trans	-76.5	131	176.7	41.8	0	0	0	0	112
88	H	21.7	Very low	24.2	Very low	164 Å²	164	142.2 Å²	142.2	76%	0.759	77%	0.774	S	S	*	*				157.6	132.2	124.3	-87.6	-74.5	0	0	0	114.4
89	T	20.8	Very low	23.4	Very low	113 Å²	113	146.6 Å²	146.6	69%	0.693	79%	0.785	S	S	*	*			trans	65.9	98.6	144.7	53.4	0	0	0	0	121.9
90	I	22.6	Very low	22.9	Very low	107 Å²	107	144.3 Å²	144.3	55%	0.549	78%	0.783	S	S	.	*				31.8	111.3	119.8	-48.8	176.4	0	0	0	117.1	V192	I90-V192 HydrophobicContact CD1-CG1 3.98Å; I90-V192 HydrophobicContact CG1-CG1 3.78Å; I90-V192 HydrophobicContact CG2-CG1 4.49Å
91	T	22	Very low	22.8	Very low	136 Å²	136	147.2 Å²	147.2	83%	0.834	78%	0.784	S	S	*	*				-157.7	142	118.5	32	0	0	0	0	111.5
92	S	20.6	Very low	22.7	Very low	82 Å²	82	141.5 Å²	141.5	57%	0.573	77%	0.769	S	S	*	*			trans	-54.5	152.1	-177.2	43.7	0	0	0	0	117.7
93	E	21.1	Very low	22.6	Very low	187 Å²	187	137.6 Å²	137.6	87%	0.874	75%	0.753	S	S	*	*			trans	74.7	86.5	145.2	-71.4	171.6	-163.9	0	0	119.5
94	S	24.4	Very low	22.5	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	75%	0.75	S	S	*	*			trans	-157	111.4	135.5	62.5	0	0	0	0	110	P96	S94-P96 WeakPolarHBondContact O-CD 3.48Å
95	V	21.6	Very low	22.6	Very low	141 Å²	141	129.6 Å²	129.6	86%	0.855	72%	0.721	S	S	*	*			trans	-68.8	115.4	175.7	176.6	0	0	0	0	109.8
96	P	24.7	Very low	22.8	Very low	116 Å²	116	124.8 Å²	124.8	75%	0.753	69%	0.694	S	S	*	*			trans	-99.5	138.4	173.3	2.6	20.6	0	0	0	111.4	S94	S94-P96 WeakPolarHBondContact O-CD 3.48Å
97	R	21.6	Very low	23.3	Very low	221 Å²	221	120.8 Å²	120.8	83%	0.834	67%	0.665	S	S	*	*			trans	-51.1	124.4	-175.2	-71.5	160.5	173.7	154.2	-2.1	114.3	Y99	R97-Y99 WeakPolarHBondContact O-CD2 3.49Å; R97-Y99 PolarHBondContact O-N 2.95Å; R97-Y99 VanDerWaalsContact O-N 3.07Å
98	S	21.2	Very low	23.9	Very low	109 Å²	109	119.5 Å²	119.5	76%	0.762	65%	0.654	S	S	*	*			trans	8.1	82.6	143.2	61.3	0	0	0	0	117.2
99	Y	22.3	Very low	24.4	Very low	214 Å²	214	113.9 Å²	113.9	84%	0.839	63%	0.627	S	S	*	*			trans	-92.7	110.3	151.2	-74.2	-84.4	0	0	0	107.6	R97 H101	R97-Y99 WeakPolarHBondContact O-CD2 3.49Å; R97-Y99 PolarHBondContact O-N 2.95Å; R97-Y99 VanDerWaalsContact O-N 3.07Å; Y99-H101 PolarHBondContact O-N 3.13Å
100	V	20.5	Very low	25.1	Very low	137 Å²	137	110.9 Å²	110.9	83%	0.83	61%	0.611	S	S	*	*			trans	-67.7	98.2	171.2	177.8	0	0	0	0	106.8	A102	V100-A102 PolarHBondContact O-N 3Å
101	H	22	Very low	25.7	Very low	171 Å²	171	108 Å²	108	79%	0.792	61%	0.608	S	S	*	*			trans	-63.5	102.3	165	-106.7	49.5	0	0	0	107.5	Y99 I103	Y99-H101 PolarHBondContact O-N 3.13Å; H101-I103 PolarHBondContact O-N 3.4Å
102	A	22.6	Very low	26.4	Very low	67 Å²	67	112.1 Å²	112.1	55%	0.554	61%	0.608	S	S	*	*			trans	-58.4	120.8	163.5	0	0	0	0	0	107.1	V100 T104	V100-A102 PolarHBondContact O-N 3Å; A102-T104 PolarHBondContact O-N 3.3Å; A102-T104 PolarHBondContact O-OG1 3.41Å
103	I	23.4	Very low	27.2	Very low	93 Å²	93	116.3 Å²	116.3	48%	0.477	62%	0.616	S	S	.	*			trans	-47.2	103.7	171.8	-60.6	155.5	0	0	0	107.3	H101 P105 D253	H101-I103 PolarHBondContact O-N 3.4Å; I103-P105 HydrophobicContact CG2-CG 3.83Å; I103-P105 WeakPolarHBondContact O-CD 3.33Å; I103-D253 WeakPolarHBondContact CD1-OD2 3.38Å
104	T	23.9	Very low	28.3	Very low	119 Å²	119	111.4 Å²	111.4	73%	0.73	60%	0.595	S	S	*	*			trans	-104.9	76.3	172.6	-40.9	0	0	0	0	109.7	A102 M106	A102-T104 PolarHBondContact O-N 3.3Å; A102-T104 PolarHBondContact O-OG1 3.41Å; T104-M106 VanDerWaalsContact C-N 3.32Å; T104-M106 PolarHBondContact O-N 3.24Å
105	P	25.1	Very low	29.7	Very low	39 Å²	39	109 Å²	109	25%	0.253	57%	0.573	S	S	.	*			trans	-91.1	74.9	165.6	35.6	-28.1	0	0	0	106.6	I103	I103-P105 HydrophobicContact CG2-CG 3.83Å; I103-P105 WeakPolarHBondContact O-CD 3.33Å
106	M	30.7	Very low	31.5	Very low	51 Å²	51	102.5 Å²	102.5	25%	0.251	53%	0.534	S	S	.	.			trans	-133.8	77	170.7	-74	-56.9	-145.7	0	0	111.1	T104 F109 F118 R257 T299	T104-M106 VanDerWaalsContact C-N 3.32Å; T104-M106 PolarHBondContact O-N 3.24Å; M106-F109 HydrophobicContact CE-CE2 4.18Å; M106-F109 HydrophobicContact SD-CE2 3.87Å; M106-F118 HydrophobicContact SD-CE2 4.08Å; M106-F118 HydrophobicContact SD-CZ 3.96Å; M106-R257 HydrophobicContact CE-CB 4.35Å; M106-T299 HydrophobicContact CE-CG2 3.43Å; M106-T299 VanDerWaalsContact CE-CG2 3.43Å
107	P	34.4	Very low	33.3	Very low	40 Å²	40	97.4 Å²	97.4	26%	0.26	50%	0.5	S	S	.	.			trans	-57.7	139.1	159.6	-11.7	27	0	0	0	109.2	F109 F118	P107-F109 PolarHBondContact O-N 3.42Å; P107-F118 HydrophobicContact CG-CD2 3.85Å; P107-F118 HydrophobicContact CG-CE2 4.46Å
108	D	34.7	Very low	35.3	Very low	92 Å²	92	87.6 Å²	87.6	49%	0.492	46%	0.464	S	S	.	.			trans	-47.1	125.3	-177.8	-61.7	-47.9	0	0	0	112.4	S110	D108-S110 PolarHBondContact O-N 3.25Å
109	F	32.7	Very low	37.5	Very low	46 Å²	46	82.7 Å²	82.7	20%	0.202	43%	0.428	C	S	.	.			trans	-72.3	39.8	172.8	-83	-94.9	0	0	0	111.7	M106 P107 G111 F118 Q328 W782 L860	M106-F109 HydrophobicContact CE-CE2 4.18Å; M106-F109 HydrophobicContact SD-CE2 3.87Å; P107-F109 PolarHBondContact O-N 3.42Å; F109-G111 PolarHBondContact O-N 3.05Å; F109-F118 AromaticContact CE1-CE1 3.96Å; F109-F118 HydrophobicContact CE1-CE1 3.96Å; F109-F118 HydrophobicContact CE1-CZ 4.47Å; F109-F118 HydrophobicContact CE2-CE1 4.17Å; F109-F118 AromaticContact CE2-CZ 3.85Å; F109-F118 HydrophobicContact CE2-CZ 3.85Å; F109-F118 HydrophobicContact CZ-CD1 4.36Å; F109-F118 AromaticContact CZ-CE1 3.45Å; F109-F118 HydrophobicContact CZ-CE1 3.45Å; F109-F118 VanDerWaalsContact CZ-CE1 3.45Å; F109-F118 AromaticContact CZ-CZ 3.56Å; F109-F118 HydrophobicContact CZ-CZ 3.56Å; F109-Q328 PolarHBondContact O-NE2 3.36Å; F109-W782 HydrophobicContact CB-CZ2 4Å; F109-W782 VanDerWaalsContact CB-NE1 3.27Å; F109-W782 PolarHBondContact O-NE1 2.87Å; F109-L860 HydrophobicContact CD1-CD2 4.38Å; F109-L860 HydrophobicContact CE1-CD2 3.31Å; F109-L860 HydrophobicContact CZ-CD2 3.58Å
110	S	35.4	Very low	39.8	Very low	50 Å²	50	72.7 Å²	72.7	35%	0.35	39%	0.389	S	S	.	.			trans	-79.6	98.9	178	56.8	0	0	0	0	109.9	D108	D108-S110 PolarHBondContact O-N 3.25Å
111	G	34.3	Very low	41.9	Very low	46 Å²	46	68.2 Å²	68.2	47%	0.474	37%	0.371	S	S	.	.	S	Bend	trans	62.9	93.1	150.3	0	0	0	0	0	117.7	F109 F113	F109-G111 PolarHBondContact O-N 3.05Å; G111-F113 PolarHBondContact O-N 3.22Å
112	R	37.1	Very low	44	Very low	224 Å²	224	61.3 Å²	61.3	85%	0.845	34%	0.339	S	S	*	.	S	Bend	trans	45.2	-9.4	147.7	-71.1	-172.9	178	172.3	-0	122.3
113	F	36.7	Very low	45.9	Very low	169 Å²	169	61 Å²	61	74%	0.741	33%	0.333	S	S	*	.	S	Bend	trans	-120.3	-8.1	-175.8	-67.1	-75	0	0	0	113.8	G111	G111-F113 PolarHBondContact O-N 3.22Å
114	I	45.6	Very low	48.2	Very low	85 Å²	85	59 Å²	59	44%	0.436	32%	0.322	S	S	.	.	S	Bend	trans	-113.3	47.6	-179.5	-43.6	178.1	0	0	0	110.8
115	I	53.7	Low	50.7	Low	60 Å²	60	53.4 Å²	53.4	31%	0.308	29%	0.287	S	S	.	.			trans	-93.8	-43.8	-171.6	-68.9	-175.2	0	0	0	113.1	L117 F118 W119	I115-L117 PolarHBondContact O-N 3.29Å; I115-F118 PolarHBondContact O-N 3.36Å; I115-W119 HydrophobicContact CB-CZ2 4.38Å; I115-W119 HydrophobicContact CG2-CD2 3.55Å; I115-W119 HydrophobicContact CG2-CE3 3.97Å; I115-W119 HydrophobicContact CG2-CG 4.31Å; I115-W119 HydrophobicContact CG2-CH2 3.37Å; I115-W119 HydrophobicContact CG2-CZ2 2.89Å; I115-W119 HydrophobicContact CG2-CZ3 3.87Å; I115-W119 VanDerWaalsContact O-CG 3.24Å; I115-W119 PolarHBondContact O-N 3.31Å
116	P	59	Low	53.5	Low	4 Å²	4	51.5 Å²	51.5	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-68.9	-41.1	-172.5	-21.8	34.9	0	0	0	113.4	F118 W119 F120 I127 L162 Y170	P116-F118 VanDerWaalsContact C-N 3.32Å; P116-F118 PolarHBondContact O-N 3.11Å; P116-W119 PolarHBondContact O-N 3.37Å; P116-F120 HydrophobicContact CB-CD2 4.46Å; P116-F120 HydrophobicContact CB-CE2 4.27Å; P116-F120 WeakPolarHBondContact O-CD2 3.15Å; P116-F120 WeakPolarHBondContact O-CG 3.21Å; P116-F120 PolarHBondContact O-N 3.44Å; P116-I127 HydrophobicContact CG-CD1 4.19Å; P116-L162 HydrophobicContact CB-CD1 3.67Å; P116-Y170 HydrophobicContact CB-CD1 4.36Å; P116-Y170 HydrophobicContact CB-CD2 4.11Å; P116-Y170 HydrophobicContact CB-CE1 4.45Å; P116-Y170 HydrophobicContact CB-CE2 4.22Å; P116-Y170 HydrophobicContact CB-CG 4.2Å; P116-Y170 HydrophobicContact CG-CD1 4.09Å; P116-Y170 HydrophobicContact CG-CD2 3.77Å; P116-Y170 HydrophobicContact CG-CE1 3.71Å; P116-Y170 HydrophobicContact CG-CE2 3.37Å; P116-Y170 HydrophobicContact CG-CG 4.12Å
117	L	62.7	Low	56	Low	8 Å²	8	49.4 Å²	49.4	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-57.1	-47.3	178.5	-72.2	176.5	0	0	0	111.2	I115 F120 G121 L122 H124 A125	I115-L117 PolarHBondContact O-N 3.29Å; L117-F120 PolarHBondContact O-N 2.97Å; L117-G121 CarbonylContact O-C 3.48Å; L117-G121 WeakPolarHBondContact O-CA 3.33Å; L117-G121 PolarHBondContact O-N 2.9Å; L117-L122 HydrophobicContact CB-CB 4.47Å; L117-L122 HydrophobicContact CD2-CB 3.58Å; L117-L122 HydrophobicContact CD2-CD1 4.42Å; L117-L122 PolarHBondContact O-N 3.44Å; L117-H124 VanDerWaalsContact CD2-C 3.48Å; L117-A125 HydrophobicContact CD2-CB 3.44Å; L117-A125 VanDerWaalsContact CD2-CB 3.44Å
118	F	62.6	Low	58.5	Low	16 Å²	16	47.5 Å²	47.5	7%	0.07	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-42.9	-179.3	175	-109.1	0	0	0	113.1	M106 P107 F109 I115 P116 F120 G121 I862 R881 Y883	M106-F118 HydrophobicContact SD-CE2 4.08Å; M106-F118 HydrophobicContact SD-CZ 3.96Å; P107-F118 HydrophobicContact CG-CD2 3.85Å; P107-F118 HydrophobicContact CG-CE2 4.46Å; F109-F118 AromaticContact CE1-CE1 3.96Å; F109-F118 HydrophobicContact CE1-CE1 3.96Å; F109-F118 HydrophobicContact CE1-CZ 4.47Å; F109-F118 HydrophobicContact CE2-CE1 4.17Å; F109-F118 AromaticContact CE2-CZ 3.85Å; F109-F118 HydrophobicContact CE2-CZ 3.85Å; F109-F118 HydrophobicContact CZ-CD1 4.36Å; F109-F118 AromaticContact CZ-CE1 3.45Å; F109-F118 HydrophobicContact CZ-CE1 3.45Å; F109-F118 VanDerWaalsContact CZ-CE1 3.45Å; F109-F118 AromaticContact CZ-CZ 3.56Å; F109-F118 HydrophobicContact CZ-CZ 3.56Å; I115-F118 PolarHBondContact O-N 3.36Å; P116-F118 VanDerWaalsContact C-N 3.32Å; P116-F118 PolarHBondContact O-N 3.11Å; F118-F120 VanDerWaalsContact C-N 3.26Å; F118-F120 PolarHBondContact O-N 3.38Å; F118-G121 PolarHBondContact O-N 3.49Å; F118-I862 HydrophobicContact CE1-CD1 4.22Å; F118-I862 HydrophobicContact CE2-CD1 4.26Å; F118-I862 HydrophobicContact CZ-CD1 3.6Å; F118-R881 PolarHBondContact O-NH2 3.24Å; F118-Y883 HydrophobicContact CD1-CD2 4.4Å; F118-Y883 HydrophobicContact CD1-CE2 4.16Å; F118-Y883 AromaticContact CE1-CD2 3.96Å; F118-Y883 HydrophobicContact CE1-CD2 3.96Å; F118-Y883 AromaticContact CE1-CE2 3.62Å; F118-Y883 HydrophobicContact CE1-CE2 3.62Å
119	W	67.8	Low	60.8	Low	5 Å²	5	47 Å²	47	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-55.7	-44.8	178	-70.8	-11.3	0	0	0	112.2	I115 P116 P168 Y170 R881 Y883 L899 A901	I115-W119 HydrophobicContact CB-CZ2 4.38Å; I115-W119 HydrophobicContact CG2-CD2 3.55Å; I115-W119 HydrophobicContact CG2-CE3 3.97Å; I115-W119 HydrophobicContact CG2-CG 4.31Å; I115-W119 HydrophobicContact CG2-CH2 3.37Å; I115-W119 HydrophobicContact CG2-CZ2 2.89Å; I115-W119 HydrophobicContact CG2-CZ3 3.87Å; I115-W119 VanDerWaalsContact O-CG 3.24Å; I115-W119 PolarHBondContact O-N 3.31Å; P116-W119 PolarHBondContact O-N 3.37Å; W119-P168 HydrophobicContact CH2-CB 4.04Å; W119-P168 VanDerWaalsContact CH2-O 3.22Å; W119-P168 WeakPolarHBondContact CH2-O 3.46Å; W119-P168 WeakPolarHBondContact CZ3-O 3.46Å; W119-Y170 HydrophobicContact CE3-CD2 4.42Å; W119-Y170 AromaticContact CZ3-CD2 3.85Å; W119-Y170 HydrophobicContact CZ3-CD2 3.85Å; W119-Y170 HydrophobicContact CZ3-CE2 4.13Å; W119-R881 PolarHBondContact O-NE 3.05Å; W119-Y883 HydrophobicContact CB-CG 4.44Å; W119-Y883 AromaticContact CD1-CD1 3.29Å; W119-Y883 AromaticContact CD1-CD2 3.89Å; W119-Y883 AromaticContact CD1-CE1 3.34Å; W119-Y883 AromaticContact CD1-CE2 3.94Å; W119-Y883 AromaticContact CD1-CG 3.57Å; W119-Y883 AromaticContact CD1-CZ 3.65Å; W119-Y883 HydrophobicContact CD2-CD1 4.4Å; W119-Y883 AromaticContact CE2-CE1 3.85Å; W119-Y883 AromaticContact CG-CD1 3.87Å; W119-Y883 HydrophobicContact CG-CD1 3.87Å; W119-Y883 HydrophobicContact CG-CE1 4.25Å; W119-Y883 HydrophobicContact CG-CG 4.16Å; W119-Y883 AromaticContact NE1-CD1 3.47Å; W119-Y883 AromaticContact NE1-CE1 3.04Å; W119-Y883 AromaticContact NE1-CZ 3.43Å; W119-L899 HydrophobicContact CD2-CD2 4.21Å; W119-L899 HydrophobicContact CH2-CD1 3.46Å; W119-L899 VanDerWaalsContact CH2-CD1 3.46Å; W119-L899 HydrophobicContact CH2-CD2 3.67Å; W119-L899 HydrophobicContact CH2-CG 4.15Å; W119-L899 HydrophobicContact CZ2-CD1 3.64Å; W119-L899 HydrophobicContact CZ2-CD2 3.21Å; W119-L899 HydrophobicContact CZ2-CG 4.05Å; W119-L899 HydrophobicContact CZ3-CD1 4.41Å; W119-L899 HydrophobicContact CZ3-CD2 4.31Å; W119-A901 HydrophobicContact CB-CB 3.64Å; W119-A901 HydrophobicContact CD2-CB 3.88Å; W119-A901 HydrophobicContact CE3-CB 3.87Å; W119-A901 HydrophobicContact CG-CB 3.85Å
120	F	70.3	Confident	63.2	Low	5 Å²	5	45.4 Å²	45.4	2%	0.022	24%	0.24	C	C	.	.	H	α-helix	trans	-87.8	-9.1	-177.3	-60	-45.6	0	0	0	113.7	P116 L117 F118 L122 L162 F212 A901 G902 S903	P116-F120 HydrophobicContact CB-CD2 4.46Å; P116-F120 HydrophobicContact CB-CE2 4.27Å; P116-F120 WeakPolarHBondContact O-CD2 3.15Å; P116-F120 WeakPolarHBondContact O-CG 3.21Å; P116-F120 PolarHBondContact O-N 3.44Å; L117-F120 PolarHBondContact O-N 2.97Å; F118-F120 VanDerWaalsContact C-N 3.26Å; F118-F120 PolarHBondContact O-N 3.38Å; F120-L122 HydrophobicContact CB-CD1 3.78Å; F120-L122 HydrophobicContact CB-CG 3.73Å; F120-L122 HydrophobicContact CD2-CD1 4.34Å; F120-L122 HydrophobicContact CG-CD1 4.49Å; F120-L162 HydrophobicContact CD2-CD1 3.96Å; F120-L162 HydrophobicContact CD2-CD2 3.92Å; F120-L162 HydrophobicContact CE2-CD1 4.05Å; F120-L162 HydrophobicContact CE2-CD2 3.85Å; F120-F212 HydrophobicContact CB-CD1 3.5Å; F120-F212 HydrophobicContact CB-CE1 3.84Å; F120-F212 HydrophobicContact CD1-CB 3.87Å; F120-F212 AromaticContact CD1-CD1 3.61Å; F120-F212 HydrophobicContact CD1-CD1 3.61Å; F120-F212 HydrophobicContact CD1-CG 4.22Å; F120-F212 HydrophobicContact CD2-CB 4.03Å; F120-F212 HydrophobicContact CD2-CD1 4.06Å; F120-F212 HydrophobicContact CD2-CG 4.31Å; F120-F212 HydrophobicContact CE1-CB 3.74Å; F120-F212 HydrophobicContact CE1-CD1 4.36Å; F120-F212 HydrophobicContact CE2-CB 3.92Å; F120-F212 HydrophobicContact CG-CB 4.03Å; F120-F212 AromaticContact CG-CD1 3.44Å; F120-F212 HydrophobicContact CG-CD1 3.44Å; F120-F212 VanDerWaalsContact CG-CD1 3.44Å; F120-F212 HydrophobicContact CG-CE1 4.29Å; F120-F212 HydrophobicContact CG-CG 4.09Å; F120-F212 HydrophobicContact CZ-CB 3.78Å; F120-A901 HydrophobicContact CE1-CB 4.12Å; F120-G902 WeakPolarHBondContact CE1-O 3.29Å; F120-S903 PolarHBondContact O-OG 2.84Å
121	G	64.8	Low	65.4	Low	43 Å²	43	47.5 Å²	47.5	44%	0.443	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	29.7	-176.3	0	0	0	0	0	114	L117 F118	L117-G121 CarbonylContact O-C 3.48Å; L117-G121 WeakPolarHBondContact O-CA 3.33Å; L117-G121 PolarHBondContact O-N 2.9Å; F118-G121 PolarHBondContact O-N 3.49Å
122	L	67.2	Low	67.5	Low	25 Å²	25	51.8 Å²	51.8	13%	0.131	26%	0.259	C	S	.	.			trans	-93.8	144.2	-177.2	-59.6	175.8	0	0	0	111.1	L117 F120 A125 P160 L162 F212	L117-L122 HydrophobicContact CB-CB 4.47Å; L117-L122 HydrophobicContact CD2-CB 3.58Å; L117-L122 HydrophobicContact CD2-CD1 4.42Å; L117-L122 PolarHBondContact O-N 3.44Å; F120-L122 HydrophobicContact CB-CD1 3.78Å; F120-L122 HydrophobicContact CB-CG 3.73Å; F120-L122 HydrophobicContact CD2-CD1 4.34Å; F120-L122 HydrophobicContact CG-CD1 4.49Å; L122-A125 HydrophobicContact CD1-CB 4.19Å; L122-P160 HydrophobicContact CD1-CB 3.89Å; L122-P160 HydrophobicContact CD1-CG 3.85Å; L122-P160 HydrophobicContact CD2-CG 3.8Å; L122-P160 HydrophobicContact CG-CG 4.43Å; L122-L162 HydrophobicContact CD1-CD1 4.47Å; L122-F212 HydrophobicContact CD1-CD1 4.37Å; L122-F212 HydrophobicContact CD1-CE1 4.02Å; L122-F212 HydrophobicContact CD1-CZ 4.2Å; L122-F212 HydrophobicContact CD2-CE1 3.89Å; L122-F212 HydrophobicContact CD2-CZ 3.88Å; L122-F212 HydrophobicContact CG-CE1 4.18Å; L122-F212 HydrophobicContact CG-CZ 4.5Å
123	S	62.4	Low	69.3	Low	61 Å²	61	43.3 Å²	43.3	43%	0.427	24%	0.242	S	C	.	.	S	Bend	trans	-90.3	-23.7	169	58.7	0	0	0	0	112.1	K75 S76	K75-S123 CarbonylContact C-O 3.59Å; K75-S123 WeakPolarHBondContact CA-O 3.4Å; S76-S123 WeakPolarHBondContact CA-O 3.02Å; S76-S123 WeakPolarHBondContact CB-O 3.18Å; S76-S123 PolarHBondContact N-O 3.32Å
124	H	70	Confident	71.2	Confident	52 Å²	52	38.8 Å²	38.8	24%	0.241	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	150.3	176.4	55.5	58.2	0	0	0	111.1	Y73 Y74 K75 L117	Y73-H124 HydrophobicContact CE2-CB 3.91Å; Y73-H124 WeakPolarHBondContact OH-CB 3.42Å; Y74-H124 CarbonylContact O-C 3.49Å; Y74-H124 WeakPolarHBondContact O-CA 3.3Å; Y74-H124 WeakPolarHBondContact O-CB 3.3Å; K75-H124 HydrophobicContact CB-CB 4.28Å; K75-H124 HydrophobicContact CG-CB 4.36Å; L117-H124 VanDerWaalsContact CD2-C 3.48Å
125	A	77.5	Confident	72.8	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	154.4	177.9	0	0	0	0	0	110.8	Y74 L117 L122 P160 L162	Y74-A125 PolarHBondContact N-O 3.14Å; Y74-A125 PolarHBondContact O-N 2.96Å; L117-A125 HydrophobicContact CD2-CB 3.44Å; L117-A125 VanDerWaalsContact CD2-CB 3.44Å; L122-A125 HydrophobicContact CD1-CB 4.19Å; A125-P160 WeakPolarHBondContact CA-O 3.47Å; A125-P160 HydrophobicContact CB-CB 4.45Å; A125-L162 HydrophobicContact CB-CD1 3.83Å; A125-L162 HydrophobicContact CB-CG 4.07Å
126	F	84.7	Confident	73.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	139	160.9	-67.7	-77.6	0	0	0	109.8	L38 W41 L71 N72 Y73 V159 P160 V161 L162	L38-F126 HydrophobicContact CD2-CD2 4.01Å; L38-F126 HydrophobicContact CD2-CE1 4.5Å; L38-F126 HydrophobicContact CD2-CE2 3.76Å; L38-F126 HydrophobicContact CD2-CG 4.46Å; L38-F126 HydrophobicContact CD2-CZ 4Å; W41-F126 HydrophobicContact CD2-CE1 4.06Å; W41-F126 HydrophobicContact CD2-CE2 4.45Å; W41-F126 AromaticContact CD2-CZ 3.42Å; W41-F126 HydrophobicContact CD2-CZ 3.42Å; W41-F126 VanDerWaalsContact CD2-CZ 3.42Å; W41-F126 AromaticContact CE2-CZ 3.6Å; W41-F126 HydrophobicContact CE3-CE2 4.13Å; W41-F126 AromaticContact CE3-CZ 3.5Å; W41-F126 HydrophobicContact CE3-CZ 3.5Å; W41-F126 VanDerWaalsContact CE3-CZ 3.5Å; W41-F126 HydrophobicContact CG-CE1 4.18Å; W41-F126 AromaticContact CG-CZ 3.91Å; W41-F126 HydrophobicContact CG-CZ 3.91Å; W41-F126 HydrophobicContact CH2-CE2 4.18Å; W41-F126 AromaticContact CH2-CZ 3.87Å; W41-F126 HydrophobicContact CH2-CZ 3.87Å; W41-F126 HydrophobicContact CZ2-CE1 4.4Å; W41-F126 AromaticContact CZ2-CZ 3.84Å; W41-F126 HydrophobicContact CZ2-CZ 3.84Å; W41-F126 AromaticContact CZ3-CE2 4Å; W41-F126 HydrophobicContact CZ3-CE2 4Å; W41-F126 AromaticContact CZ3-CZ 3.73Å; W41-F126 HydrophobicContact CZ3-CZ 3.73Å; L71-F126 HydrophobicContact CD1-CB 3.92Å; L71-F126 HydrophobicContact CD1-CD1 4.29Å; L71-F126 HydrophobicContact CD1-CG 4.42Å; L71-F126 HydrophobicContact CD2-CD1 4.21Å; L71-F126 HydrophobicContact CG-CD1 4.12Å; N72-F126 CarbonylContact O-C 3.58Å; N72-F126 WeakPolarHBondContact O-CA 3.46Å; Y73-F126 HydrophobicContact CD2-CD1 4.15Å; Y73-F126 AromaticContact CD2-CE1 3.95Å; Y73-F126 HydrophobicContact CD2-CE1 3.95Å; Y73-F126 HydrophobicContact CD2-CE2 4.49Å; Y73-F126 HydrophobicContact CD2-CZ 4.15Å; Y73-F126 HydrophobicContact CG-CE1 4.27Å; F126-V159 HydrophobicContact CD2-CB 3.99Å; F126-V159 HydrophobicContact CD2-CG1 3.57Å; F126-V159 HydrophobicContact CE2-CB 3.79Å; F126-V159 HydrophobicContact CE2-CG1 3.74Å; F126-V159 HydrophobicContact CE2-CG2 4.49Å; F126-P160 PolarHBondContact N-O 2.75Å; F126-V161 HydrophobicContact CB-CB 4.45Å; F126-V161 HydrophobicContact CB-CG1 4.3Å; F126-V161 HydrophobicContact CB-CG2 4.2Å; F126-V161 HydrophobicContact CD2-CG2 4.08Å; F126-L162 WeakPolarHBondContact O-CB 3.43Å; F126-L162 PolarHBondContact O-N 3.49Å
127	I	82.4	Confident	74.6	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.7	168.6	-53.6	-172.9	0	0	0	108	N72 Y74 P116 L162 Y170	N72-I127 PolarHBondContact N-O 2.89Å; N72-I127 PolarHBondContact O-N 3.24Å; Y74-I127 HydrophobicContact CD2-CB 4.14Å; Y74-I127 HydrophobicContact CD2-CD1 3.6Å; Y74-I127 HydrophobicContact CD2-CG1 3.56Å; Y74-I127 HydrophobicContact CE1-CD1 4.36Å; Y74-I127 HydrophobicContact CE2-CB 3.68Å; Y74-I127 HydrophobicContact CE2-CD1 3.27Å; Y74-I127 HydrophobicContact CE2-CG1 3.45Å; Y74-I127 VanDerWaalsContact CE2-CG1 3.45Å; Y74-I127 HydrophobicContact CG-CD1 4.26Å; P116-I127 HydrophobicContact CG-CD1 4.19Å; I127-L162 CarbonylContact C-O 3.54Å; I127-L162 VanDerWaalsContact CA-O 3.28Å; I127-L162 WeakPolarHBondContact CA-O 3.21Å; I127-Y170 HydrophobicContact CG2-CE1 3.97Å
128	L	86.9	Confident	75.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.1	169.6	-176	67.4	0	0	0	108.2	F30 L62 F69 L71 L144 V148 L162 V163 E164	F30-L128 HydrophobicContact CZ-CD2 4.29Å; L62-L128 HydrophobicContact CD1-CD1 3.78Å; F69-L128 HydrophobicContact CB-CD1 3.66Å; F69-L128 HydrophobicContact CB-CG 4.34Å; F69-L128 HydrophobicContact CD1-CG 4.35Å; F69-L128 HydrophobicContact CG-CD1 4.45Å; L71-L128 HydrophobicContact CB-CD1 4.37Å; L71-L128 HydrophobicContact CD1-CB 4.1Å; L71-L128 HydrophobicContact CD1-CD1 4.14Å; L128-L144 HydrophobicContact CD2-CD1 4.12Å; L128-V148 HydrophobicContact CD2-CG2 4Å; L128-L162 PolarHBondContact N-O 2.89Å; L128-V163 HydrophobicContact CB-CG2 4.38Å; L128-V163 HydrophobicContact CD2-CG2 4.17Å; L128-V163 WeakPolarHBondContact O-CA 3.19Å; L128-E164 PolarHBondContact O-N 3.04Å
129	K	83.7	Confident	75.9	Confident	83 Å²	83	48.6 Å²	48.6	36%	0.361	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.8	177.2	103	177.5	-166.4	179.2	0	110.2	F69 N70 E164	F69-K129 CarbonylContact C-O 3.48Å; F69-K129 WeakPolarHBondContact CA-O 3.47Å; N70-K129 PolarHBondContact N-O 3.33Å; N70-K129 PolarHBondContact O-N 3.07Å; K129-E164 HydrophobicContact CB-CB 4.07Å
130	P	83.1	Confident	76.5	Confident	12 Å²	12	56.3 Å²	56.3	8%	0.078	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.1	168.9	28.7	-34.1	0	0	0	110.6	F69 D132 G133 I135 E164	F69-P130 HydrophobicContact CD1-CB 4.1Å; F69-P130 HydrophobicContact CE1-CB 4Å; P130-D132 VanDerWaalsContact C-N 3.3Å; P130-D132 PolarHBondContact O-N 3.46Å; P130-G133 VanDerWaalsContact CG-O 3.28Å; P130-G133 WeakPolarHBondContact CG-O 3.4Å; P130-I135 HydrophobicContact CG-CG1 4.39Å; P130-E164 WeakPolarHBondContact CD-O 3.34Å
131	D	80.7	Confident	77	Confident	94 Å²	94	57.8 Å²	57.8	50%	0.503	34%	0.337	S	S	.	.	S	Bend	trans	-63.4	-39.7	178.8	-167	49.7	0	0	0	111.5	I68 N70	I68-D131 HydrophobicContact CB-CB 4.23Å; I68-D131 HydrophobicContact CG2-CB 4.34Å; I68-D131 PolarHBondContact O-N 2.84Å; N70-D131 PolarHBondContact ND2-OD1 2.95Å
132	D	77.4	Confident	77.8	Confident	135 Å²	135	58.9 Å²	58.9	72%	0.722	34%	0.338	S	S	*	.	S	Bend	trans	-129.7	141.5	174.3	-166.7	17	0	0	0	113.2	R67 P130	R67-D132 PolarHBondContact NH2-O 2.95Å; P130-D132 VanDerWaalsContact C-N 3.3Å; P130-D132 PolarHBondContact O-N 3.46Å
133	G	75.2	Confident	78.6	Confident	46 Å²	46	61 Å²	61	47%	0.474	35%	0.349	S	S	.	.	S	Bend	trans	67.6	-169.6	176.2	0	0	0	0	0	116.2	P130	P130-G133 VanDerWaalsContact CG-O 3.28Å; P130-G133 WeakPolarHBondContact CG-O 3.4Å
134	E	78.2	Confident	79.7	Confident	75 Å²	75	58.5 Å²	58.5	35%	0.35	33%	0.331	S	S	.	.			trans	-110.6	163.3	-179.1	-65.2	168.9	162.8	0	0	111.2	R67 K136 Y166	R67-E134 PolarHBondContact NH1-O 3.22Å; R67-E134 PolarHBondContact NH2-O 3.42Å; E134-K136 PolarHBondContact O-N 3.02Å; E134-Y166 HydrophobicContact CB-CD2 4.37Å; E134-Y166 VanDerWaalsContact CD-CD2 3.41Å; E134-Y166 VanDerWaalsContact CD-CE2 3.47Å; E134-Y166 HydrophobicContact CG-CD2 4.24Å; E134-Y166 VanDerWaalsContact OE2-CD2 3.23Å; E134-Y166 WeakPolarHBondContact OE2-CD2 3.46Å; E134-Y166 WeakPolarHBondContact OE2-CE2 3.29Å
135	I	77.7	Confident	80.4	Confident	15 Å²	15	56.9 Å²	56.9	8%	0.077	32%	0.324	C	S	.	.			trans	-91.9	99.7	175.2	-53	177.1	0	0	0	108.3	F69 P130 R140 L141 L144 V163 H165	F69-I135 HydrophobicContact CE1-CD1 4.07Å; P130-I135 HydrophobicContact CG-CG1 4.39Å; I135-R140 HydrophobicContact CG2-CB 4.35Å; I135-L141 HydrophobicContact CG2-CB 4.37Å; I135-L144 HydrophobicContact CD1-CD2 3.38Å; I135-V163 HydrophobicContact CD1-CG1 4.26Å; I135-H165 HydrophobicContact CB-CB 4.19Å; I135-H165 HydrophobicContact CD1-CB 4.25Å; I135-H165 PolarHBondContact N-O 3.47Å
136	K	76.9	Confident	80.7	Confident	142 Å²	142	59 Å²	59	62%	0.617	34%	0.338	S	S	*	.			trans	-97	125.3	178	-62.5	-176.4	-178.9	179.1	0	110.8	E134 R140	E134-K136 PolarHBondContact O-N 3.02Å; K136-R140 WeakPolarHBondContact O-CD 3.46Å
137	G	74.3	Confident	80.9	Confident	47 Å²	47	59 Å²	59	49%	0.485	34%	0.338	S	S	.	.	S	Bend	trans	110.1	125.4	173.2	0	0	0	0	0	113.5	T139 R140 L141	G137-T139 VanDerWaalsContact C-N 3.29Å; G137-T139 PolarHBondContact O-N 3.26Å; G137-R140 PolarHBondContact O-N 3.08Å; G137-R140 VanDerWaalsContact O-N 3.09Å; G137-L141 PolarHBondContact O-N 2.91Å
138	G	75.2	Confident	81.1	Confident	60 Å²	60	58.7 Å²	58.7	62%	0.619	34%	0.337	S	S	*	.	H	α-helix	trans	-57.2	-38.2	-176	0	0	0	0	0	113.8	R140 L141 S142	G138-R140 VanDerWaalsContact C-N 3.35Å; G138-R140 PolarHBondContact O-N 2.9Å; G138-L141 PolarHBondContact O-N 3.36Å; G138-S142 WeakPolarHBondContact O-CB 3.12Å; G138-S142 PolarHBondContact O-N 2.67Å; G138-S142 PolarHBondContact O-OG 3.27Å
139	T	76.9	Confident	80.9	Confident	115 Å²	115	61.3 Å²	61.3	71%	0.706	35%	0.349	S	S	*	.	H	α-helix	trans	-65.5	-34.6	178.2	-43.9	0	0	0	0	113.3	G137 S142 L143	G137-T139 VanDerWaalsContact C-N 3.29Å; G137-T139 PolarHBondContact O-N 3.26Å; T139-S142 WeakPolarHBondContact CA-OG 3.44Å; T139-S142 PolarHBondContact O-OG 3.14Å; T139-L143 VanDerWaalsContact O-CB 3.31Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 PolarHBondContact O-N 3.11Å; T139-L143 VanDerWaalsContact O-N 3.09Å
140	R	81.5	Confident	81	Confident	167 Å²	167	62 Å²	62	63%	0.63	36%	0.355	S	S	*	.	H	α-helix	trans	-74.1	-39.8	178.2	-66.8	-178.8	-179.3	168.9	-6.8	110.9	I135 K136 G137 G138 L143 L144	I135-R140 HydrophobicContact CG2-CB 4.35Å; K136-R140 WeakPolarHBondContact O-CD 3.46Å; G137-R140 PolarHBondContact O-N 3.08Å; G137-R140 VanDerWaalsContact O-N 3.09Å; G138-R140 VanDerWaalsContact C-N 3.35Å; G138-R140 PolarHBondContact O-N 2.9Å; R140-L143 PolarHBondContact O-N 3.18Å; R140-L144 PolarHBondContact O-N 3.29Å
141	L	80.3	Confident	81.1	Confident	36 Å²	36	61.5 Å²	61.5	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-63.5	-47.6	173.8	-176.9	62.6	0	0	0	110.6	I135 G137 G138 L143 L144 L145 H165	I135-L141 HydrophobicContact CG2-CB 4.37Å; G137-L141 PolarHBondContact O-N 2.91Å; G138-L141 PolarHBondContact O-N 3.36Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 PolarHBondContact O-N 3.37Å; L141-L144 PolarHBondContact O-N 2.91Å; L141-L145 HydrophobicContact CD1-CD1 4.17Å; L141-L145 HydrophobicContact CD1-CG 4.14Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CG-CD1 3.85Å; L141-L145 HydrophobicContact CG-CG 4.24Å; L141-L145 WeakPolarHBondContact O-CB 3.34Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 3.26Å; L141-H165 HydrophobicContact CD1-CB 3.69Å
142	S	80.7	Confident	81.3	Confident	66 Å²	66	57.2 Å²	57.2	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-36.1	178.3	64.8	0	0	0	0	112.6	G138 T139 S146	G138-S142 WeakPolarHBondContact O-CB 3.12Å; G138-S142 PolarHBondContact O-N 2.67Å; G138-S142 PolarHBondContact O-OG 3.27Å; T139-S142 WeakPolarHBondContact CA-OG 3.44Å; T139-S142 PolarHBondContact O-OG 3.14Å; S142-S146 VanDerWaalsContact O-CB 3.26Å; S142-S146 WeakPolarHBondContact O-CB 3.3Å; S142-S146 PolarHBondContact O-N 3.45Å
143	L	84.4	Confident	81.4	Confident	69 Å²	69	54.9 Å²	54.9	36%	0.361	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-43.9	176.8	-175.4	142.8	0	0	0	111.8	W27 F64 T139 R140 L141 S146 S147	W27-L143 VanDerWaalsContact CD1-CD2 3.44Å; W27-L143 HydrophobicContact CG-CD2 4.28Å; W27-L143 HydrophobicContact CG-CG 4.46Å; F64-L143 HydrophobicContact CD2-CD2 4.5Å; F64-L143 HydrophobicContact CE2-CD2 3.45Å; F64-L143 VanDerWaalsContact CE2-CD2 3.45Å; F64-L143 HydrophobicContact CZ-CD2 3.51Å; T139-L143 VanDerWaalsContact O-CB 3.31Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 PolarHBondContact O-N 3.11Å; T139-L143 VanDerWaalsContact O-N 3.09Å; R140-L143 PolarHBondContact O-N 3.18Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 PolarHBondContact O-N 3.37Å; L143-S146 PolarHBondContact O-N 3.44Å; L143-S147 PolarHBondContact O-N 2.8Å; L143-S147 PolarHBondContact O-OG 3.35Å
144	L	85.7	Confident	81.7	Confident	9 Å²	9	55.6 Å²	55.6	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-42.4	174.7	-179.9	63.5	0	0	0	112	F30 F69 L128 I135 R140 L141 S146 S147 V148 V163	F30-L144 HydrophobicContact CD1-CD1 4.47Å; F30-L144 HydrophobicContact CE1-CD1 3.43Å; F30-L144 VanDerWaalsContact CE1-CD1 3.43Å; F30-L144 HydrophobicContact CZ-CD1 3.51Å; F69-L144 HydrophobicContact CE1-CD1 4.47Å; F69-L144 HydrophobicContact CE1-CD2 3.83Å; F69-L144 HydrophobicContact CZ-CD1 4.47Å; F69-L144 HydrophobicContact CZ-CD2 4.27Å; L128-L144 HydrophobicContact CD2-CD1 4.12Å; I135-L144 HydrophobicContact CD1-CD2 3.38Å; R140-L144 PolarHBondContact O-N 3.29Å; L141-L144 PolarHBondContact O-N 2.91Å; L144-S146 VanDerWaalsContact C-N 3.32Å; L144-S147 WeakPolarHBondContact O-CB 3.2Å; L144-S147 PolarHBondContact O-N 2.97Å; L144-V148 WeakPolarHBondContact O-CG2 3.49Å; L144-V148 PolarHBondContact O-N 3.48Å; L144-V163 HydrophobicContact CD2-CG1 3.52Å; L144-V163 HydrophobicContact CG-CG1 4.32Å
145	L	84.1	Confident	81.8	Confident	18 Å²	18	53.4 Å²	53.4	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-38.8	176.7	-69.8	178.4	0	0	0	111.7	L141 S147 V148 E149 V163 F171	L141-L145 HydrophobicContact CD1-CD1 4.17Å; L141-L145 HydrophobicContact CD1-CG 4.14Å; L141-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CG-CD1 3.85Å; L141-L145 HydrophobicContact CG-CG 4.24Å; L141-L145 WeakPolarHBondContact O-CB 3.34Å; L141-L145 WeakPolarHBondContact O-CG 3.31Å; L141-L145 PolarHBondContact O-N 3.26Å; L145-S147 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 2.94Å; L145-V148 PolarHBondContact O-N 3.4Å; L145-E149 VanDerWaalsContact O-CB 3.25Å; L145-E149 WeakPolarHBondContact O-CB 3.47Å; L145-E149 PolarHBondContact O-N 2.77Å; L145-V163 HydrophobicContact CD2-CB 4.32Å; L145-V163 HydrophobicContact CD2-CG2 4.02Å; L145-F171 HydrophobicContact CD1-CB 4.18Å; L145-F171 HydrophobicContact CD1-CD1 3.42Å; L145-F171 VanDerWaalsContact CD1-CD1 3.42Å; L145-F171 HydrophobicContact CD1-CD2 3.82Å; L145-F171 HydrophobicContact CD1-CE1 3.63Å; L145-F171 HydrophobicContact CD1-CE2 4.02Å; L145-F171 HydrophobicContact CD1-CG 3.51Å; L145-F171 HydrophobicContact CD1-CZ 3.93Å; L145-F171 HydrophobicContact CD2-CB 3.93Å; L145-F171 HydrophobicContact CD2-CD1 3.16Å; L145-F171 HydrophobicContact CD2-CE1 3.87Å; L145-F171 HydrophobicContact CD2-CG 3.73Å; L145-F171 HydrophobicContact CG-CD1 3.85Å; L145-F171 HydrophobicContact CG-CE1 4.22Å; L145-F171 HydrophobicContact CG-CG 4.24Å
146	S	85	Confident	81.7	Confident	43 Å²	43	62.6 Å²	62.6	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-40.3	172.5	-179.6	0	0	0	0	111.7	S142 L143 L144 E149 M150	S142-S146 VanDerWaalsContact O-CB 3.26Å; S142-S146 WeakPolarHBondContact O-CB 3.3Å; S142-S146 PolarHBondContact O-N 3.45Å; L143-S146 PolarHBondContact O-N 3.44Å; L144-S146 VanDerWaalsContact C-N 3.32Å; S146-E149 PolarHBondContact O-N 3.13Å; S146-M150 WeakPolarHBondContact O-CB 3.5Å; S146-M150 WeakPolarHBondContact O-CG 3.32Å; S146-M150 PolarHBondContact O-N 3.32Å
147	S	87.6	Confident	81.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.5	-44.8	172.8	-65.3	0	0	0	0	112.4	W27 T31 L143 L144 L145 M150 A151	W27-S147 PolarHBondContact NE1-OG 2.98Å; T31-S147 WeakPolarHBondContact OG1-CB 3.47Å; T31-S147 PolarHBondContact OG1-OG 2.94Å; T31-S147 VanDerWaalsContact OG1-OG 3.04Å; L143-S147 PolarHBondContact O-N 2.8Å; L143-S147 PolarHBondContact O-OG 3.35Å; L144-S147 WeakPolarHBondContact O-CB 3.2Å; L144-S147 PolarHBondContact O-N 2.97Å; L145-S147 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 2.94Å; S147-M150 PolarHBondContact O-N 3.09Å; S147-A151 WeakPolarHBondContact O-CB 3.45Å; S147-A151 PolarHBondContact O-N 3.16Å
148	V	87.3	Confident	81.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-43.6	178.2	172.4	0	0	0	0	111	L34 L128 L144 L145 A151 V152 V161 V163 L173	L34-V148 HydrophobicContact CD2-CB 4.38Å; L34-V148 HydrophobicContact CD2-CG2 3.91Å; L128-V148 HydrophobicContact CD2-CG2 4Å; L144-V148 WeakPolarHBondContact O-CG2 3.49Å; L144-V148 PolarHBondContact O-N 3.48Å; L145-V148 PolarHBondContact O-N 3.4Å; V148-A151 PolarHBondContact O-N 2.7Å; V148-V152 HydrophobicContact CG1-CG2 4.16Å; V148-V152 VanDerWaalsContact O-CB 3.3Å; V148-V152 WeakPolarHBondContact O-CB 3.49Å; V148-V152 WeakPolarHBondContact O-CG2 3.27Å; V148-V152 PolarHBondContact O-N 2.74Å; V148-V161 HydrophobicContact CG1-CB 3.86Å; V148-V161 HydrophobicContact CG1-CG1 3.7Å; V148-V163 HydrophobicContact CG2-CG2 3.84Å; V148-L173 HydrophobicContact CG1-CD1 4.3Å
149	E	83.7	Confident	81.4	Confident	56 Å²	56	53.8 Å²	53.8	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-50.8	177.1	-177.5	176.4	-171.5	0	0	111.1	L145 S146 A151 V152 Y153 L173 H906	L145-E149 VanDerWaalsContact O-CB 3.25Å; L145-E149 WeakPolarHBondContact O-CB 3.47Å; L145-E149 PolarHBondContact O-N 2.77Å; S146-E149 PolarHBondContact O-N 3.13Å; E149-A151 PolarHBondContact O-N 2.8Å; E149-V152 PolarHBondContact O-N 3.3Å; E149-Y153 HydrophobicContact CG-CD2 3.69Å; E149-Y153 HydrophobicContact CG-CE2 3.22Å; E149-Y153 WeakPolarHBondContact O-CD2 3.42Å; E149-Y153 PolarHBondContact O-N 2.6Å; E149-Y153 VanDerWaalsContact OE1-CE2 3.31Å; E149-Y153 WeakPolarHBondContact OE1-CE2 3.39Å; E149-Y153 PolarHBondContact OE1-OH 3.04Å; E149-L173 HydrophobicContact CB-CD1 3.94Å; E149-H906 IonicContact OE1-NE2 3.99Å
150	M	85.7	Confident	81.6	Confident	98 Å²	98	48.4 Å²	48.4	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-47.1	177.7	-69.1	-67.2	-82.1	0	0	111.3	T31 S146 S147 V152 Y153 A154	T31-M150 HydrophobicContact CG2-CB 3.98Å; S146-M150 WeakPolarHBondContact O-CB 3.5Å; S146-M150 WeakPolarHBondContact O-CG 3.32Å; S146-M150 PolarHBondContact O-N 3.32Å; S147-M150 PolarHBondContact O-N 3.09Å; M150-V152 PolarHBondContact O-N 3.01Å; M150-Y153 PolarHBondContact O-N 3.4Å; M150-A154 WeakPolarHBondContact O-CB 3.5Å; M150-A154 PolarHBondContact O-N 2.9Å
151	A	85.6	Confident	81.8	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-40.3	-179.6	0	0	0	0	0	112.9	L34 E35 L38 S147 V148 E149 Y153 A154 T155	L34-A151 HydrophobicContact CB-CB 4.2Å; L34-A151 HydrophobicContact CD2-CB 3.59Å; L34-A151 HydrophobicContact CG-CB 3.7Å; E35-A151 HydrophobicContact CG-CB 3.59Å; L38-A151 HydrophobicContact CD1-CB 4.27Å; S147-A151 WeakPolarHBondContact O-CB 3.45Å; S147-A151 PolarHBondContact O-N 3.16Å; V148-A151 PolarHBondContact O-N 2.7Å; E149-A151 PolarHBondContact O-N 2.8Å; A151-Y153 VanDerWaalsContact C-N 3.35Å; A151-A154 PolarHBondContact O-N 3.11Å; A151-T155 WeakPolarHBondContact O-CB 3.34Å; A151-T155 WeakPolarHBondContact O-CG2 3.49Å; A151-T155 PolarHBondContact O-N 2.95Å; A151-T155 PolarHBondContact O-OG1 3.3Å
152	V	83.5	Confident	82	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-36.6	177.4	168.1	0	0	0	0	111	L38 V148 E149 M150 R156 C157 V161 A175	L38-V152 HydrophobicContact CD1-CG2 4.46Å; V148-V152 HydrophobicContact CG1-CG2 4.16Å; V148-V152 VanDerWaalsContact O-CB 3.3Å; V148-V152 WeakPolarHBondContact O-CB 3.49Å; V148-V152 WeakPolarHBondContact O-CG2 3.27Å; V148-V152 PolarHBondContact O-N 2.74Å; E149-V152 PolarHBondContact O-N 3.3Å; M150-V152 PolarHBondContact O-N 3.01Å; V152-R156 WeakPolarHBondContact O-CA 3.44Å; V152-R156 PolarHBondContact O-N 3.02Å; V152-C157 PolarHBondContact O-N 2.83Å; V152-V161 HydrophobicContact CG2-CB 4.2Å; V152-V161 HydrophobicContact CG2-CG2 3.65Å; V152-A175 HydrophobicContact CG1-CB 3.62Å
153	Y	80.5	Confident	82.2	Confident	86 Å²	86	35.6 Å²	35.6	34%	0.337	18%	0.181	S	C	.	.	H	α-helix	trans	-71.4	-43.7	173.5	-74.2	-55.2	0	0	0	113.4	E149 M150 A151 T155 R156 A175 N209	E149-Y153 HydrophobicContact CG-CD2 3.69Å; E149-Y153 HydrophobicContact CG-CE2 3.22Å; E149-Y153 WeakPolarHBondContact O-CD2 3.42Å; E149-Y153 PolarHBondContact O-N 2.6Å; E149-Y153 VanDerWaalsContact OE1-CE2 3.31Å; E149-Y153 WeakPolarHBondContact OE1-CE2 3.39Å; E149-Y153 PolarHBondContact OE1-OH 3.04Å; M150-Y153 PolarHBondContact O-N 3.4Å; A151-Y153 VanDerWaalsContact C-N 3.35Å; Y153-T155 VanDerWaalsContact C-N 3.33Å; Y153-T155 PolarHBondContact O-N 2.97Å; Y153-R156 PolarHBondContact O-N 3.34Å; Y153-A175 HydrophobicContact CD1-CB 4.38Å; Y153-N209 WeakPolarHBondContact CE1-OD1 3.45Å; Y153-N209 PolarHBondContact OH-ND2 3.36Å
154	A	81.5	Confident	82	Confident	61 Å²	61	34.8 Å²	34.8	50%	0.504	18%	0.175	S	C	.	.	H	α-helix	trans	-60.4	-46.2	179.4	0	0	0	0	0	110.7	E35 M150 A151	E35-A154 HydrophobicContact CG-CB 4.1Å; E35-A154 WeakPolarHBondContact OE1-CB 3.23Å; M150-A154 WeakPolarHBondContact O-CB 3.5Å; M150-A154 PolarHBondContact O-N 2.9Å; A151-A154 PolarHBondContact O-N 3.11Å
155	T	80.1	Confident	81.6	Confident	29 Å²	29	36.2 Å²	36.2	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-82.7	-13.8	-179.9	60.9	0	0	0	0	114.1	E35 L38 T39 A151 Y153 C157	E35-T155 HydrophobicContact CB-CG2 4.29Å; E35-T155 HydrophobicContact CG-CG2 4.36Å; L38-T155 HydrophobicContact CB-CG2 4Å; T39-T155 WeakPolarHBondContact OG1-CG2 3.45Å; A151-T155 WeakPolarHBondContact O-CB 3.34Å; A151-T155 WeakPolarHBondContact O-CG2 3.49Å; A151-T155 PolarHBondContact O-N 2.95Å; A151-T155 PolarHBondContact O-OG1 3.3Å; Y153-T155 VanDerWaalsContact C-N 3.33Å; Y153-T155 PolarHBondContact O-N 2.97Å; T155-C157 PolarHBondContact O-N 3.42Å; T155-C157 PolarHBondContact OG1-N 3.47Å
156	R	74.8	Confident	80.9	Confident	209 Å²	209	41.2 Å²	41.2	79%	0.789	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	38	-168.7	-60.5	-175.1	176	175.9	-0.2	112.6	V152 Y153 P158	V152-R156 WeakPolarHBondContact O-CA 3.44Å; V152-R156 PolarHBondContact O-N 3.02Å; Y153-R156 PolarHBondContact O-N 3.34Å; R156-P158 WeakPolarHBondContact O-CD 3.25Å
157	C	74.3	Confident	79.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.007	20%	0.2	C	C	.	.			trans	-58.5	123	-175.9	-174.7	0	0	0	0	110.4	V152 T155 V159	V152-C157 PolarHBondContact O-N 2.83Å; T155-C157 PolarHBondContact O-N 3.42Å; T155-C157 PolarHBondContact OG1-N 3.47Å; C157-V159 PolarHBondContact O-N 3.28Å
158	P	69.1	Low	78.8	Confident	59 Å²	59	42.6 Å²	42.6	38%	0.383	21%	0.214	S	C	.	.	S	Bend	trans	-79.6	-6.1	178.8	33.4	-35.8	0	0	0	112.6	M42 R156 C178	M42-P158 HydrophobicContact CE-CG 4.01Å; M42-P158 HydrophobicContact SD-CG 4.3Å; R156-P158 WeakPolarHBondContact O-CD 3.25Å; P158-C178 PolarHBondContact O-SG 3.42Å
159	V	78.2	Confident	78.1	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.024	22%	0.215	C	C	.	.	S	Bend	trans	-98.3	130.5	-178.8	177.8	0	0	0	0	109.6	W41 Y73 F126 C157 V161	W41-V159 HydrophobicContact CH2-CG2 3.77Å; W41-V159 HydrophobicContact CZ3-CG2 4.03Å; Y73-V159 HydrophobicContact CD2-CG1 4.48Å; Y73-V159 HydrophobicContact CE2-CG1 4.11Å; F126-V159 HydrophobicContact CD2-CB 3.99Å; F126-V159 HydrophobicContact CD2-CG1 3.57Å; F126-V159 HydrophobicContact CE2-CB 3.79Å; F126-V159 HydrophobicContact CE2-CG1 3.74Å; F126-V159 HydrophobicContact CE2-CG2 4.49Å; C157-V159 PolarHBondContact O-N 3.28Å; V159-V161 PolarHBondContact O-N 2.68Å
160	P	80.5	Confident	77.8	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.207	C	C	.	.			trans	-60	136.5	177.1	-24.5	35.1	0	0	0	112.1	L122 A125 F126 A174 F212	L122-P160 HydrophobicContact CD1-CB 3.89Å; L122-P160 HydrophobicContact CD1-CG 3.85Å; L122-P160 HydrophobicContact CD2-CG 3.8Å; L122-P160 HydrophobicContact CG-CG 4.43Å; A125-P160 WeakPolarHBondContact CA-O 3.47Å; A125-P160 HydrophobicContact CB-CB 4.45Å; F126-P160 PolarHBondContact N-O 2.75Å; P160-A174 HydrophobicContact CB-CB 4.3Å; P160-A174 HydrophobicContact CG-CB 4.15Å; P160-F212 HydrophobicContact CB-CD2 4.25Å; P160-F212 HydrophobicContact CB-CE2 3.7Å; P160-F212 HydrophobicContact CB-CZ 4.19Å; P160-F212 HydrophobicContact CG-CE2 3.99Å; P160-F212 HydrophobicContact CG-CZ 4.05Å
161	V	84.7	Confident	77.5	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117	172.2	-176.3	0	0	0	0	108.4	L38 F126 V148 V152 V159 G172 L173	L38-V161 HydrophobicContact CD2-CG2 4.38Å; F126-V161 HydrophobicContact CB-CB 4.45Å; F126-V161 HydrophobicContact CB-CG1 4.3Å; F126-V161 HydrophobicContact CB-CG2 4.2Å; F126-V161 HydrophobicContact CD2-CG2 4.08Å; V148-V161 HydrophobicContact CG1-CB 3.86Å; V148-V161 HydrophobicContact CG1-CG1 3.7Å; V152-V161 HydrophobicContact CG2-CB 4.2Å; V152-V161 HydrophobicContact CG2-CG2 3.65Å; V159-V161 PolarHBondContact O-N 2.68Å; V161-G172 CarbonylContact O-C 3.57Å; V161-G172 WeakPolarHBondContact O-CA 3.46Å; V161-L173 PolarHBondContact N-O 2.97Å; V161-L173 PolarHBondContact O-N 3.16Å
162	L	84.3	Confident	77	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.9	-179.5	-53	178.6	0	0	0	109.7	P116 F120 L122 A125 F126 I127 L128 Y170 F212	P116-L162 HydrophobicContact CB-CD1 3.67Å; F120-L162 HydrophobicContact CD2-CD1 3.96Å; F120-L162 HydrophobicContact CD2-CD2 3.92Å; F120-L162 HydrophobicContact CE2-CD1 4.05Å; F120-L162 HydrophobicContact CE2-CD2 3.85Å; L122-L162 HydrophobicContact CD1-CD1 4.47Å; A125-L162 HydrophobicContact CB-CD1 3.83Å; A125-L162 HydrophobicContact CB-CG 4.07Å; F126-L162 WeakPolarHBondContact O-CB 3.43Å; F126-L162 PolarHBondContact O-N 3.49Å; I127-L162 CarbonylContact C-O 3.54Å; I127-L162 VanDerWaalsContact CA-O 3.28Å; I127-L162 WeakPolarHBondContact CA-O 3.21Å; L128-L162 PolarHBondContact N-O 2.89Å; L162-Y170 HydrophobicContact CB-CD1 4.3Å; L162-F212 HydrophobicContact CD2-CB 3.8Å; L162-F212 HydrophobicContact CD2-CD2 4.15Å; L162-F212 HydrophobicContact CD2-CG 4.02Å
163	V	84.7	Confident	76.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.8	176.8	-177.3	0	0	0	0	109.6	L128 I135 L144 L145 V148 Y170 F171	L128-V163 HydrophobicContact CB-CG2 4.38Å; L128-V163 HydrophobicContact CD2-CG2 4.17Å; L128-V163 WeakPolarHBondContact O-CA 3.19Å; I135-V163 HydrophobicContact CD1-CG1 4.26Å; L144-V163 HydrophobicContact CD2-CG1 3.52Å; L144-V163 HydrophobicContact CG-CG1 4.32Å; L145-V163 HydrophobicContact CD2-CB 4.32Å; L145-V163 HydrophobicContact CD2-CG2 4.02Å; V148-V163 HydrophobicContact CG2-CG2 3.84Å; V163-Y170 CarbonylContact O-C 3.55Å; V163-Y170 VanDerWaalsContact O-CA 3.24Å; V163-Y170 WeakPolarHBondContact O-CA 3.46Å; V163-F171 WeakPolarHBondContact CA-O 3.47Å; V163-F171 WeakPolarHBondContact CB-O 3.39Å; V163-F171 PolarHBondContact N-O 3.39Å; V163-F171 PolarHBondContact O-N 3.12Å
164	E	82.1	Confident	76.1	Confident	52 Å²	52	35.2 Å²	35.2	24%	0.243	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.9	170.9	-167.5	176.3	152.8	0	0	109.9	L128 K129 P130 G167 Y170	L128-E164 PolarHBondContact O-N 3.04Å; K129-E164 HydrophobicContact CB-CB 4.07Å; P130-E164 WeakPolarHBondContact CD-O 3.34Å; E164-G167 VanDerWaalsContact CG-O 3.27Å; E164-G167 WeakPolarHBondContact CG-O 2.83Å; E164-Y170 HydrophobicContact CB-CD1 3.99Å; E164-Y170 HydrophobicContact CB-CE1 3.62Å; E164-Y170 HydrophobicContact CG-CD1 4.38Å; E164-Y170 HydrophobicContact CG-CE1 3.78Å; E164-Y170 PolarHBondContact OE2-OH 3.46Å
165	H	77	Confident	75	Confident	39 Å²	39	32.8 Å²	32.8	18%	0.181	16%	0.16	C	C	.	.			trans	-113.2	-34.3	-175.4	69.1	81.7	0	0	0	114.6	I135 L141 S169	I135-H165 HydrophobicContact CB-CB 4.19Å; I135-H165 HydrophobicContact CD1-CB 4.25Å; I135-H165 PolarHBondContact N-O 3.47Å; L141-H165 HydrophobicContact CD1-CB 3.69Å; H165-S169 PolarHBondContact CD2-O 3.24Å; H165-S169 VanDerWaalsContact CD2-O 3.26Å; H165-S169 WeakPolarHBondContact CE1-CB 3.28Å; H165-S169 PolarHBondContact N-O 2.93Å; H165-S169 VanDerWaalsContact NE2-CB 3.27Å; H165-S169 WeakPolarHBondContact NE2-CB 3.23Å
166	Y	68.3	Low	73.8	Confident	124 Å²	124	34.1 Å²	34.1	49%	0.486	17%	0.171	S	C	.	.	S	Bend	trans	-152.8	101	-177.2	-175.5	-99.4	0	0	0	111.5	E134 S169	E134-Y166 HydrophobicContact CB-CD2 4.37Å; E134-Y166 VanDerWaalsContact CD-CD2 3.41Å; E134-Y166 VanDerWaalsContact CD-CE2 3.47Å; E134-Y166 HydrophobicContact CG-CD2 4.24Å; E134-Y166 VanDerWaalsContact OE2-CD2 3.23Å; E134-Y166 WeakPolarHBondContact OE2-CD2 3.46Å; E134-Y166 WeakPolarHBondContact OE2-CE2 3.29Å; Y166-S169 WeakPolarHBondContact O-CB 3.39Å; Y166-S169 PolarHBondContact O-N 3.32Å; Y166-S169 VanDerWaalsContact O-N 3.16Å; Y166-S169 PolarHBondContact O-OG 2.84Å
167	G	64.7	Low	72.3	Confident	29 Å²	29	27 Å²	27	30%	0.299	15%	0.153	S	C	.	.	S	Bend	trans	51.1	-136.4	-172.3	0	0	0	0	0	111.2	E164 S169	E164-G167 VanDerWaalsContact CG-O 3.27Å; E164-G167 WeakPolarHBondContact CG-O 2.83Å; G167-S169 PolarHBondContact O-N 3.49Å
168	P	64	Low	70.7	Confident	43 Å²	43	29.1 Å²	29.1	28%	0.279	17%	0.167	S	C	.	.	S	Bend	trans	-80.2	43.3	178.8	39.2	-38.7	0	0	0	112.2	W119 Y170 S214	W119-P168 HydrophobicContact CH2-CB 4.04Å; W119-P168 VanDerWaalsContact CH2-O 3.22Å; W119-P168 WeakPolarHBondContact CH2-O 3.46Å; W119-P168 WeakPolarHBondContact CZ3-O 3.46Å; P168-Y170 HydrophobicContact CB-CE2 4.49Å; P168-S214 PolarHBondContact O-OG 3.12Å
169	S	72.3	Confident	69.3	Low	5 Å²	5	29.8 Å²	29.8	4%	0.035	17%	0.167	C	C	.	.			trans	-111.9	121.7	176.5	-45.2	0	0	0	0	109.3	H165 Y166 G167 S214	H165-S169 PolarHBondContact CD2-O 3.24Å; H165-S169 VanDerWaalsContact CD2-O 3.26Å; H165-S169 WeakPolarHBondContact CE1-CB 3.28Å; H165-S169 PolarHBondContact N-O 2.93Å; H165-S169 VanDerWaalsContact NE2-CB 3.27Å; H165-S169 WeakPolarHBondContact NE2-CB 3.23Å; Y166-S169 WeakPolarHBondContact O-CB 3.39Å; Y166-S169 PolarHBondContact O-N 3.32Å; Y166-S169 VanDerWaalsContact O-N 3.16Å; Y166-S169 PolarHBondContact O-OG 2.84Å; G167-S169 PolarHBondContact O-N 3.49Å; S169-S214 WeakPolarHBondContact CA-OG 3.42Å
170	Y	77.9	Confident	67.2	Low	23 Å²	23	37 Å²	37	9%	0.09	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.1	-172.7	-62.8	-91.2	0	0	0	109.9	P116 W119 I127 L162 V163 E164 P168 T213 S214	P116-Y170 HydrophobicContact CB-CD1 4.36Å; P116-Y170 HydrophobicContact CB-CD2 4.11Å; P116-Y170 HydrophobicContact CB-CE1 4.45Å; P116-Y170 HydrophobicContact CB-CE2 4.22Å; P116-Y170 HydrophobicContact CB-CG 4.2Å; P116-Y170 HydrophobicContact CG-CD1 4.09Å; P116-Y170 HydrophobicContact CG-CD2 3.77Å; P116-Y170 HydrophobicContact CG-CE1 3.71Å; P116-Y170 HydrophobicContact CG-CE2 3.37Å; P116-Y170 HydrophobicContact CG-CG 4.12Å; W119-Y170 HydrophobicContact CE3-CD2 4.42Å; W119-Y170 AromaticContact CZ3-CD2 3.85Å; W119-Y170 HydrophobicContact CZ3-CD2 3.85Å; W119-Y170 HydrophobicContact CZ3-CE2 4.13Å; I127-Y170 HydrophobicContact CG2-CE1 3.97Å; L162-Y170 HydrophobicContact CB-CD1 4.3Å; V163-Y170 CarbonylContact O-C 3.55Å; V163-Y170 VanDerWaalsContact O-CA 3.24Å; V163-Y170 WeakPolarHBondContact O-CA 3.46Å; E164-Y170 HydrophobicContact CB-CD1 3.99Å; E164-Y170 HydrophobicContact CB-CE1 3.62Å; E164-Y170 HydrophobicContact CG-CD1 4.38Å; E164-Y170 HydrophobicContact CG-CE1 3.78Å; E164-Y170 PolarHBondContact OE2-OH 3.46Å; P168-Y170 HydrophobicContact CB-CE2 4.49Å; Y170-T213 CarbonylContact O-C 3.51Å; Y170-S214 PolarHBondContact N-OG 3.03Å; Y170-S214 PolarHBondContact O-N 3.17Å
171	F	78.9	Confident	65.1	Low	50 Å²	50	39.2 Å²	39.2	22%	0.219	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.9	165.1	-169	-70.5	0	0	0	108	L145 V163 L173 F212 T213	L145-F171 HydrophobicContact CD1-CB 4.18Å; L145-F171 HydrophobicContact CD1-CD1 3.42Å; L145-F171 VanDerWaalsContact CD1-CD1 3.42Å; L145-F171 HydrophobicContact CD1-CD2 3.82Å; L145-F171 HydrophobicContact CD1-CE1 3.63Å; L145-F171 HydrophobicContact CD1-CE2 4.02Å; L145-F171 HydrophobicContact CD1-CG 3.51Å; L145-F171 HydrophobicContact CD1-CZ 3.93Å; L145-F171 HydrophobicContact CD2-CB 3.93Å; L145-F171 HydrophobicContact CD2-CD1 3.16Å; L145-F171 HydrophobicContact CD2-CE1 3.87Å; L145-F171 HydrophobicContact CD2-CG 3.73Å; L145-F171 HydrophobicContact CG-CD1 3.85Å; L145-F171 HydrophobicContact CG-CE1 4.22Å; L145-F171 HydrophobicContact CG-CG 4.24Å; V163-F171 WeakPolarHBondContact CA-O 3.47Å; V163-F171 WeakPolarHBondContact CB-O 3.39Å; V163-F171 PolarHBondContact N-O 3.39Å; V163-F171 PolarHBondContact O-N 3.12Å; F171-L173 HydrophobicContact CE1-CD1 4.16Å; F171-L173 HydrophobicContact CE1-CG 4.14Å; F171-F212 CarbonylContact C-O 3.59Å; F171-F212 VanDerWaalsContact CA-O 3.28Å; F171-F212 WeakPolarHBondContact CA-O 3.42Å; F171-T213 HydrophobicContact CD2-CG2 3.73Å; F171-T213 HydrophobicContact CE2-CG2 3.6Å; F171-T213 HydrophobicContact CZ-CG2 4.34Å
172	G	76.2	Confident	62.6	Low	0 Å²	0	42 Å²	42	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.4	-179.7	0	0	0	0	0	113.8	V161 F212	V161-G172 CarbonylContact O-C 3.57Å; V161-G172 WeakPolarHBondContact O-CA 3.46Å; G172-F212 PolarHBondContact N-O 3.32Å; G172-F212 PolarHBondContact O-N 3.48Å
173	L	74.3	Confident	60.2	Low	8 Å²	8	47.8 Å²	47.8	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.5	-173.7	-71.8	141.2	0	0	0	109.6	V148 E149 V161 F171 D211	V148-L173 HydrophobicContact CG1-CD1 4.3Å; E149-L173 HydrophobicContact CB-CD1 3.94Å; V161-L173 PolarHBondContact N-O 2.97Å; V161-L173 PolarHBondContact O-N 3.16Å; F171-L173 HydrophobicContact CE1-CD1 4.16Å; F171-L173 HydrophobicContact CE1-CG 4.14Å; L173-D211 WeakPolarHBondContact CD2-OD1 3.47Å
174	A	70.1	Confident	57.8	Low	2 Å²	2	57 Å²	57	2%	0.017	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.7	166.6	0	0	0	0	0	110.2	P160 S176 N209 I210 F212	P160-A174 HydrophobicContact CB-CB 4.3Å; P160-A174 HydrophobicContact CG-CB 4.15Å; A174-S176 PolarHBondContact O-N 3.48Å; A174-N209 VanDerWaalsContact O-CA 3.29Å; A174-N209 WeakPolarHBondContact O-CA 3.39Å; A174-I210 PolarHBondContact N-O 2.86Å; A174-I210 PolarHBondContact O-N 3.42Å; A174-F212 HydrophobicContact CB-CE2 3.89Å
175	A	58.2	Low	55.3	Low	10 Å²	10	58.4 Å²	58.4	8%	0.083	31%	0.312	C	S	.	.	S	Bend	trans	-79.2	-8.6	-176.5	0	0	0	0	0	115.1	V152 Y153 S207	V152-A175 HydrophobicContact CG1-CB 3.62Å; Y153-A175 HydrophobicContact CD1-CB 4.38Å; A175-S207 VanDerWaalsContact O-CB 3.29Å; A175-S207 WeakPolarHBondContact O-CB 3.4Å
176	S	54.5	Low	52.8	Low	58 Å²	58	62.1 Å²	62.1	41%	0.406	33%	0.334	S	S	.	.	S	Bend	trans	-160.5	163.1	-175	-172.4	0	0	0	0	111.8	A174 C178	A174-S176 PolarHBondContact O-N 3.48Å; S176-C178 PolarHBondContact O-N 2.89Å
177	S	43.7	Very low	50.7	Low	58 Å²	58	66.9 Å²	66.9	41%	0.406	35%	0.352	S	S	.	.			trans	-58.5	94.2	-176	64.4	0	0	0	0	111.8	L179	S177-L179 PolarHBondContact O-N 3.22Å; S177-L179 VanDerWaalsContact O-N 3.07Å
178	C	41.4	Very low	48.9	Very low	47 Å²	47	72.2 Å²	72.2	32%	0.318	37%	0.373	S	S	.	.			trans	-65	0.1	159.5	-54.4	0	0	0	0	112.1	P158 S176 K180	P158-C178 PolarHBondContact O-SG 3.42Å; S176-C178 PolarHBondContact O-N 2.89Å; C178-K180 PolarHBondContact O-N 3.09Å
179	L	38.5	Very low	47	Very low	73 Å²	73	77.8 Å²	77.8	38%	0.382	40%	0.395	S	S	.	.			trans	-96.6	84.1	-179.5	-61.6	168.2	0	0	0	110	S177 S181 I210	S177-L179 PolarHBondContact O-N 3.22Å; S177-L179 VanDerWaalsContact O-N 3.07Å; L179-S181 PolarHBondContact O-N 2.97Å; L179-S181 VanDerWaalsContact O-N 3.09Å; L179-I210 HydrophobicContact CD1-CD1 4Å; L179-I210 HydrophobicContact CG-CD1 4.36Å
180	K	35.4	Very low	44.7	Very low	155 Å²	155	84.2 Å²	84.2	67%	0.674	43%	0.429	S	S	*	.			trans	-70.6	97	155.9	-74.1	-175.4	-179	178.9	0	108	C178 S182	C178-K180 PolarHBondContact O-N 3.09Å; K180-S182 PolarHBondContact O-N 3.46Å
181	S	36.4	Very low	42.2	Very low	47 Å²	47	89.7 Å²	89.7	33%	0.329	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-63.8	-16.1	162.7	171.5	0	0	0	0	111.9	L179 D183 Y184 T185	L179-S181 PolarHBondContact O-N 2.97Å; L179-S181 VanDerWaalsContact O-N 3.09Å; S181-D183 PolarHBondContact O-N 2.83Å; S181-D183 VanDerWaalsContact O-N 3.13Å; S181-Y184 PolarHBondContact O-N 3.21Å; S181-T185 PolarHBondContact O-N 3.42Å; S181-T185 PolarHBondContact OG-OG1 3.27Å
182	S	31.2	Very low	39.7	Very low	59 Å²	59	91.5 Å²	91.5	41%	0.413	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-68.1	-8.5	-178.3	61.2	0	0	0	0	115.3	K180	K180-S182 PolarHBondContact O-N 3.46Å
183	D	34.3	Very low	37.4	Very low	122 Å²	122	97.2 Å²	97.2	65%	0.652	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-98.9	3.1	169.2	-65.4	-19.5	0	0	0	113.2	S181	S181-D183 PolarHBondContact O-N 2.83Å; S181-D183 VanDerWaalsContact O-N 3.13Å
184	Y	34.3	Very low	35	Very low	194 Å²	194	102.8 Å²	102.8	76%	0.761	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-19.4	179	-75.4	-72.1	0	0	0	116.2	S181	S181-Y184 PolarHBondContact O-N 3.21Å
185	T	30.7	Very low	33	Very low	80 Å²	80	109.2 Å²	109.2	49%	0.491	57%	0.574	S	S	.	*	S	Bend	trans	-138.8	-12.1	-175.9	55.1	0	0	0	0	118.1	S181	S181-T185 PolarHBondContact O-N 3.42Å; S181-T185 PolarHBondContact OG-OG1 3.27Å
186	N	23.6	Very low	31.5	Very low	118 Å²	118	114.2 Å²	114.2	63%	0.631	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	41	-167	-86	-12.7	0	0	0	116.7
187	Y	24.3	Very low	30.3	Very low	223 Å²	223	114.2 Å²	114.2	88%	0.875	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	22.9	159.8	-79.7	-75.7	0	0	0	113.5
188	L	26.1	Very low	29.4	Very low	141 Å²	141	114.8 Å²	114.8	74%	0.738	61%	0.613	S	S	*	*	S	Bend	trans	-112.2	2.6	176.2	-111.7	154.8	0	0	0	115.4
189	H	24.4	Very low	28.7	Very low	161 Å²	161	119.7 Å²	119.7	75%	0.745	64%	0.635	S	S	*	*	S	Bend	trans	-151.9	119.4	168.4	-103.6	-69.3	0	0	0	113.9
190	N	24.9	Very low	28	Very low	139 Å²	139	119.7 Å²	119.7	74%	0.743	64%	0.641	S	S	*	*			trans	87.8	109.5	151.8	-57.4	-13.1	0	0	0	119.1
191	N	24.7	Very low	27.6	Very low	139 Å²	139	116.7 Å²	116.7	74%	0.743	64%	0.636	S	S	*	*			trans	32.9	107.4	130.7	-83.3	-11.3	0	0	0	118.3
192	V	27	Very low	27.3	Very low	88 Å²	88	117.9 Å²	117.9	53%	0.533	64%	0.644	S	S	.	*	S	Bend		29.4	113.4	116.4	-177.7	0	0	0	0	115.5	I90	I90-V192 HydrophobicContact CD1-CG1 3.98Å; I90-V192 HydrophobicContact CG1-CG1 3.78Å; I90-V192 HydrophobicContact CG2-CG1 4.49Å
193	N	27.7	Very low	27.1	Very low	120 Å²	120	122 Å²	122	64%	0.642	66%	0.662	S	S	*	*	S	Bend	trans	108.4	15.1	155.2	-66	-9.6	0	0	0	122.1
194	N	24.4	Very low	26.7	Very low	125 Å²	125	127.2 Å²	127.2	67%	0.668	67%	0.672	S	S	*	*			trans	-133.8	57.3	172.6	-79.7	-22.9	0	0	0	114.6
195	V	28	Very low	26.5	Very low	137 Å²	137	122.7 Å²	122.7	83%	0.83	66%	0.66	S	S	*	*	S	Bend	trans	-86.7	-10.1	172.9	-179.3	0	0	0	0	112.7
196	S	26.3	Very low	26.6	Very low	115 Å²	115	121.7 Å²	121.7	80%	0.804	67%	0.666	S	S	*	*	S	Bend	trans	-90.8	-6.1	175	39.2	0	0	0	0	114.6
197	S	28.1	Very low	27.2	Very low	58 Å²	58	120.1 Å²	120.1	41%	0.406	66%	0.664	S	S	.	*	S	Bend	trans	-102.5	-9.8	180	61.9	0	0	0	0	115.4	S200	S197-S200 PolarHBondContact O-N 3.26Å; S197-S200 PolarHBondContact O-OG 3.13Å
198	S	26	Very low	28.5	Very low	70 Å²	70	111.6 Å²	111.6	49%	0.49	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.3	-10.9	-177.9	55.7	0	0	0	0	114.8	S200 T201	S198-S200 PolarHBondContact O-N 3.43Å; S198-T201 PolarHBondContact O-N 2.89Å; S198-T201 PolarHBondContact O-OG1 3.25Å
199	L	26.3	Very low	30.3	Very low	149 Å²	149	106.1 Å²	106.1	78%	0.78	61%	0.605	S	S	*	*	H	α-helix	trans	-63.1	-18.9	166.7	-139.8	79.3	0	0	0	111.9
200	S	25	Very low	32.5	Very low	74 Å²	74	99.1 Å²	99.1	52%	0.517	57%	0.573	S	S	.	*	H	α-helix	trans	-88.1	-22	-176.7	72.5	0	0	0	0	114.7	S197 S198	S197-S200 PolarHBondContact O-N 3.26Å; S197-S200 PolarHBondContact O-OG 3.13Å; S198-S200 PolarHBondContact O-N 3.43Å
201	T	26	Very low	34.9	Very low	92 Å²	92	93.4 Å²	93.4	56%	0.564	54%	0.542	S	S	*	.	H	α-helix	trans	-86.2	-27.9	179.4	39.9	0	0	0	0	113.4	S198 N203 R204	S198-T201 PolarHBondContact O-N 2.89Å; S198-T201 PolarHBondContact O-OG1 3.25Å; T201-N203 VanDerWaalsContact C-N 3.26Å; T201-N203 PolarHBondContact O-N 2.89Å; T201-R204 PolarHBondContact O-N 3.39Å
202	S	31	Very low	37.5	Very low	72 Å²	72	86.9 Å²	86.9	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-69.1	-25.2	174.8	-128.7	0	0	0	0	112.8	R204	S202-R204 PolarHBondContact O-N 2.91Å
203	N	25.7	Very low	40	Very low	145 Å²	145	83.4 Å²	83.4	78%	0.775	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.5	175.7	-79.9	-8.8	0	0	0	114.1	T201	T201-N203 VanDerWaalsContact C-N 3.26Å; T201-N203 PolarHBondContact O-N 2.89Å
204	R	25.3	Very low	42.5	Very low	231 Å²	231	78 Å²	78	87%	0.872	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-13.1	178.9	-75.3	-168	178	-167.9	0.8	114.5	T201 S202 G206	T201-R204 PolarHBondContact O-N 3.39Å; S202-R204 PolarHBondContact O-N 2.91Å; R204-G206 PolarHBondContact O-N 3.44Å
205	I	31.3	Very low	44.9	Very low	100 Å²	100	74 Å²	74	51%	0.513	44%	0.439	S	S	.	.	S	Bend	trans	-92.7	101.6	171.5	-57.7	164	0	0	0	104.1	S207 L208	I205-S207 PolarHBondContact O-N 2.9Å; I205-L208 HydrophobicContact CG2-CD1 4.06Å; I205-L208 HydrophobicContact CG2-CG 4.39Å
206	G	31.6	Very low	47.2	Very low	59 Å²	59	72.1 Å²	72.1	61%	0.608	42%	0.417	S	S	*	.			trans	-43.8	133.6	178.1	0	0	0	0	0	109.9	R204 L208	R204-G206 PolarHBondContact O-N 3.44Å; G206-L208 PolarHBondContact O-N 3.45Å
207	S	38.1	Very low	49.7	Very low	84 Å²	84	69.9 Å²	69.9	59%	0.587	40%	0.395	S	S	*	.			trans	-34.5	100.2	178.5	-0.3	0	0	0	0	110.3	A175 I205 N209	A175-S207 VanDerWaalsContact O-CB 3.29Å; A175-S207 WeakPolarHBondContact O-CB 3.4Å; I205-S207 PolarHBondContact O-N 2.9Å; S207-N209 VanDerWaalsContact C-N 3.34Å; S207-N209 PolarHBondContact O-N 3.29Å
208	L	49.8	Very low	52	Low	44 Å²	44	72.8 Å²	72.8	23%	0.23	40%	0.402	C	S	.	.			trans	-74.9	97.7	175.8	-74.9	165	0	0	0	105.9	I205 G206 I210 L877	I205-L208 HydrophobicContact CG2-CD1 4.06Å; I205-L208 HydrophobicContact CG2-CG 4.39Å; G206-L208 PolarHBondContact O-N 3.45Å; L208-I210 PolarHBondContact O-N 3Å; L208-L877 HydrophobicContact CD1-CB 3.59Å; L208-L877 HydrophobicContact CD2-CB 3.94Å; L208-L877 HydrophobicContact CG-CB 4.43Å
209	N	63.9	Low	54.3	Low	26 Å²	26	71.5 Å²	71.5	14%	0.139	40%	0.4	C	S	.	.			trans	-65.4	132.3	171.1	-61.4	-37.5	0	0	0	108.5	Y153 A174 S207 S905 H906	Y153-N209 WeakPolarHBondContact CE1-OD1 3.45Å; Y153-N209 PolarHBondContact OH-ND2 3.36Å; A174-N209 VanDerWaalsContact O-CA 3.29Å; A174-N209 WeakPolarHBondContact O-CA 3.39Å; S207-N209 VanDerWaalsContact C-N 3.34Å; S207-N209 PolarHBondContact O-N 3.29Å; N209-S905 CarbonylContact O-C 3.51Å; N209-S905 WeakPolarHBondContact O-CA 3.43Å; N209-H906 HydrophobicContact CB-CB 3.56Å; N209-H906 WeakPolarHBondContact O-CB 3.45Å; N209-H906 PolarHBondContact O-N 3.35Å
210	I	71.6	Confident	56.7	Low	15 Å²	15	73.7 Å²	73.7	8%	0.077	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.7	175.8	-57.6	175.4	0	0	0	107.6	A174 L179 L208 F212 F904	A174-I210 PolarHBondContact N-O 2.86Å; A174-I210 PolarHBondContact O-N 3.42Å; L179-I210 HydrophobicContact CD1-CD1 4Å; L179-I210 HydrophobicContact CG-CD1 4.36Å; L208-I210 PolarHBondContact O-N 3Å; I210-F212 HydrophobicContact CB-CE2 4.08Å; I210-F212 HydrophobicContact CB-CZ 4Å; I210-F212 HydrophobicContact CG2-CD1 4.3Å; I210-F212 HydrophobicContact CG2-CD2 4.45Å; I210-F212 HydrophobicContact CG2-CE1 3.73Å; I210-F212 HydrophobicContact CG2-CE2 3.87Å; I210-F212 HydrophobicContact CG2-CZ 3.49Å; I210-F212 VanDerWaalsContact CG2-CZ 3.49Å; I210-F904 CarbonylContact C-O 3.57Å; I210-F904 WeakPolarHBondContact CA-O 3.48Å
211	D	75.6	Confident	59.3	Low	18 Å²	18	71.3 Å²	71.3	10%	0.096	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.3	171	-73.6	-3.8	0	0	0	109.3	L173 S903 F904 H906	L173-D211 WeakPolarHBondContact CD2-OD1 3.47Å; D211-S903 WeakPolarHBondContact O-CA 3.37Å; D211-F904 PolarHBondContact N-O 2.88Å; D211-F904 PolarHBondContact O-N 2.69Å; D211-H906 IonicContact OD1-CD2 2.68Å; D211-H906 PolarHBondContact OD1-CD2 3.3Å; D211-H906 IonicContact OD1-CG 2.9Å; D211-H906 WeakPolarHBondContact OD2-CA 3.42Å; D211-H906 IonicContact OD2-CD2 3.11Å; D211-H906 IonicContact OD2-CG 3.15Å
212	F	79.3	Confident	61.8	Low	3 Å²	3	72.7 Å²	72.7	1%	0.013	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	117.8	173.2	-59.3	-77.5	0	0	0	107.5	F120 L122 P160 L162 F171 G172 A174 I210 S903	F120-F212 HydrophobicContact CB-CD1 3.5Å; F120-F212 HydrophobicContact CB-CE1 3.84Å; F120-F212 HydrophobicContact CD1-CB 3.87Å; F120-F212 AromaticContact CD1-CD1 3.61Å; F120-F212 HydrophobicContact CD1-CD1 3.61Å; F120-F212 HydrophobicContact CD1-CG 4.22Å; F120-F212 HydrophobicContact CD2-CB 4.03Å; F120-F212 HydrophobicContact CD2-CD1 4.06Å; F120-F212 HydrophobicContact CD2-CG 4.31Å; F120-F212 HydrophobicContact CE1-CB 3.74Å; F120-F212 HydrophobicContact CE1-CD1 4.36Å; F120-F212 HydrophobicContact CE2-CB 3.92Å; F120-F212 HydrophobicContact CG-CB 4.03Å; F120-F212 AromaticContact CG-CD1 3.44Å; F120-F212 HydrophobicContact CG-CD1 3.44Å; F120-F212 VanDerWaalsContact CG-CD1 3.44Å; F120-F212 HydrophobicContact CG-CE1 4.29Å; F120-F212 HydrophobicContact CG-CG 4.09Å; F120-F212 HydrophobicContact CZ-CB 3.78Å; L122-F212 HydrophobicContact CD1-CD1 4.37Å; L122-F212 HydrophobicContact CD1-CE1 4.02Å; L122-F212 HydrophobicContact CD1-CZ 4.2Å; L122-F212 HydrophobicContact CD2-CE1 3.89Å; L122-F212 HydrophobicContact CD2-CZ 3.88Å; L122-F212 HydrophobicContact CG-CE1 4.18Å; L122-F212 HydrophobicContact CG-CZ 4.5Å; P160-F212 HydrophobicContact CB-CD2 4.25Å; P160-F212 HydrophobicContact CB-CE2 3.7Å; P160-F212 HydrophobicContact CB-CZ 4.19Å; P160-F212 HydrophobicContact CG-CE2 3.99Å; P160-F212 HydrophobicContact CG-CZ 4.05Å; L162-F212 HydrophobicContact CD2-CB 3.8Å; L162-F212 HydrophobicContact CD2-CD2 4.15Å; L162-F212 HydrophobicContact CD2-CG 4.02Å; F171-F212 CarbonylContact C-O 3.59Å; F171-F212 VanDerWaalsContact CA-O 3.28Å; F171-F212 WeakPolarHBondContact CA-O 3.42Å; G172-F212 PolarHBondContact N-O 3.32Å; G172-F212 PolarHBondContact O-N 3.48Å; A174-F212 HydrophobicContact CB-CE2 3.89Å; I210-F212 HydrophobicContact CB-CE2 4.08Å; I210-F212 HydrophobicContact CB-CZ 4Å; I210-F212 HydrophobicContact CG2-CD1 4.3Å; I210-F212 HydrophobicContact CG2-CD2 4.45Å; I210-F212 HydrophobicContact CG2-CE1 3.73Å; I210-F212 HydrophobicContact CG2-CE2 3.87Å; I210-F212 HydrophobicContact CG2-CZ 3.49Å; I210-F212 VanDerWaalsContact CG2-CZ 3.49Å; F212-S903 VanDerWaalsContact CE1-CB 3.49Å
213	T	79.7	Confident	64	Low	15 Å²	15	72.7 Å²	72.7	9%	0.092	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.7	-179.1	55.1	0	0	0	0	109.8	Y170 F171 A901 G902 F911	Y170-T213 CarbonylContact O-C 3.51Å; F171-T213 HydrophobicContact CD2-CG2 3.73Å; F171-T213 HydrophobicContact CE2-CG2 3.6Å; F171-T213 HydrophobicContact CZ-CG2 4.34Å; T213-A901 CarbonylContact O-C 3.57Å; T213-A901 VanDerWaalsContact O-CA 3.22Å; T213-A901 WeakPolarHBondContact O-CA 3.47Å; T213-G902 PolarHBondContact N-O 2.88Å; T213-G902 PolarHBondContact O-N 3.16Å; T213-F911 HydrophobicContact CG2-CD2 4.48Å; T213-F911 VanDerWaalsContact OG1-CD2 3.28Å; T213-F911 WeakPolarHBondContact OG1-CD2 3.48Å; T213-F911 WeakPolarHBondContact OG1-CE2 3.46Å
214	S	79.3	Confident	66.6	Low	6 Å²	6	68.9 Å²	68.9	4%	0.042	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141	166.3	76.6	0	0	0	0	111.8	P168 S169 Y170 M900	P168-S214 PolarHBondContact O-OG 3.12Å; S169-S214 WeakPolarHBondContact CA-OG 3.42Å; Y170-S214 PolarHBondContact N-OG 3.03Å; Y170-S214 PolarHBondContact O-N 3.17Å; S214-M900 CarbonylContact C-O 3.52Å; S214-M900 VanDerWaalsContact CA-O 3.23Å; S214-M900 WeakPolarHBondContact CA-O 3.48Å
215	C	75.2	Confident	69.3	Low	40 Å²	40	58.4 Å²	58.4	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.7	179.1	-174.8	0	0	0	0	109.4	L899 M900 F911	C215-L899 WeakPolarHBondContact O-CA 3.45Å; C215-M900 PolarHBondContact N-O 3.31Å; C215-M900 PolarHBondContact O-N 2.94Å; C215-F911 HydrophobicContact CB-CD1 3.48Å; C215-F911 VanDerWaalsContact CB-CD1 3.48Å; C215-F911 HydrophobicContact CB-CD2 4.42Å; C215-F911 HydrophobicContact CB-CE1 3.04Å; C215-F911 HydrophobicContact CB-CE2 4.04Å; C215-F911 HydrophobicContact CB-CG 4.16Å; C215-F911 HydrophobicContact CB-CZ 3.36Å
216	R	77.1	Confident	71.6	Confident	99 Å²	99	54.8 Å²	54.8	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.5	173	179.7	174.4	168.1	167.1	-6.4	109.1	E218 N897 L899	R216-E218 HydrophobicContact CG-CG 4.24Å; R216-E218 IonicContact CZ-OE1 2.86Å; R216-E218 IonicContact NE-OE1 3.64Å; R216-E218 PolarHBondContact NE-OE1 3.14Å; R216-E218 IonicContact NH2-OE1 3.84Å; R216-E218 PolarHBondContact NH2-OE1 3.45Å; R216-N897 PolarHBondContact NH2-ND2 3.16Å; R216-L899 HydrophobicContact CB-CD1 4.36Å
217	I	77.8	Confident	74.1	Confident	67 Å²	67	53.3 Å²	53.3	34%	0.344	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.8	174.1	-59.2	173.2	0	0	0	107.6	N897 L898 M900	I217-N897 WeakPolarHBondContact O-CA 3.41Å; I217-L898 HydrophobicContact CB-CB 4.44Å; I217-L898 HydrophobicContact CD1-CD2 4.31Å; I217-L898 PolarHBondContact N-O 3.02Å; I217-L898 PolarHBondContact O-N 3.47Å; I217-M900 HydrophobicContact CD1-CE 3.89Å
218	E	77.7	Confident	76.4	Confident	120 Å²	120	49.3 Å²	49.3	56%	0.561	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	130.7	173.7	-56.4	-165.8	152.5	0	0	109.4	R216	R216-E218 HydrophobicContact CG-CG 4.24Å; R216-E218 IonicContact CZ-OE1 2.86Å; R216-E218 IonicContact NE-OE1 3.64Å; R216-E218 PolarHBondContact NE-OE1 3.14Å; R216-E218 IonicContact NH2-OE1 3.84Å; R216-E218 PolarHBondContact NH2-OE1 3.45Å
219	G	73.9	Confident	78.1	Confident	42 Å²	42	48.6 Å²	48.6	43%	0.433	27%	0.267	S	S	.	.	S	Bend	trans	121.3	-139.8	178	0	0	0	0	0	114.3	I221 K896	G219-I221 PolarHBondContact O-N 3.41Å; G219-K896 PolarHBondContact N-O 2.78Å
220	E	75.2	Confident	79.1	Confident	195 Å²	195	47.5 Å²	47.5	91%	0.911	26%	0.262	S	S	*	.			trans	-75.7	103.4	-175.9	-167.8	172.8	-170.6	0	0	111.1
221	I	80	Confident	79.8	Confident	24 Å²	24	46.9 Å²	46.9	12%	0.123	26%	0.258	C	S	.	.			trans	-83.1	127.6	178.9	-66.8	159.3	0	0	0	109.4	G219 C225 T226 L886 Y895 L898	G219-I221 PolarHBondContact O-N 3.41Å; I221-C225 HydrophobicContact CG2-CB 3.91Å; I221-T226 HydrophobicContact CG2-CG2 4.21Å; I221-L886 HydrophobicContact CG2-CD2 4.49Å; I221-Y895 VanDerWaalsContact CD1-CB 3.42Å; I221-L898 HydrophobicContact CD1-CB 3.75Å; I221-L898 HydrophobicContact CG1-CB 3.94Å; I221-L898 HydrophobicContact CG2-CB 4.44Å; I221-L898 HydrophobicContact CG2-CD2 4.18Å
222	L	79.4	Confident	80.3	Confident	121 Å²	121	49.2 Å²	49.2	63%	0.634	27%	0.268	S	S	*	.			trans	-57.9	141.9	177.6	-66	165.1	0	0	0	111.5	N224 C225	L222-N224 VanDerWaalsContact C-N 3.26Å; L222-N224 WeakPolarHBondContact CB-OD1 3.42Å; L222-N224 PolarHBondContact O-N 3.31Å; L222-C225 WeakPolarHBondContact O-CB 3.42Å; L222-C225 PolarHBondContact O-N 2.85Å
223	A	76.9	Confident	80.4	Confident	72 Å²	72	54.1 Å²	54.1	60%	0.595	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-60.9	-31.6	-175.3	0	0	0	0	0	113.7	C225 T226 H227	A223-C225 PolarHBondContact O-N 3.2Å; A223-T226 PolarHBondContact O-N 3.47Å; A223-T226 PolarHBondContact O-OG1 3.18Å; A223-H227 PolarHBondContact O-CE1 3.45Å; A223-H227 PolarHBondContact O-ND1 2.94Å
224	N	79.7	Confident	80.4	Confident	65 Å²	65	55.4 Å²	55.4	35%	0.348	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24.4	175.1	61.2	-16	0	0	0	113.4	L222 T226 G230 L231 I234	L222-N224 VanDerWaalsContact C-N 3.26Å; L222-N224 WeakPolarHBondContact CB-OD1 3.42Å; L222-N224 PolarHBondContact O-N 3.31Å; N224-T226 VanDerWaalsContact C-N 3.28Å; N224-T226 PolarHBondContact O-N 3.37Å; N224-G230 CarbonylContact O-C 3.51Å; N224-G230 WeakPolarHBondContact O-CA 3.46Å; N224-L231 PolarHBondContact O-N 3.29Å; N224-I234 HydrophobicContact CB-CD1 4.46Å
225	C	81.6	Confident	80.6	Confident	12 Å²	12	55.1 Å²	55.1	8%	0.081	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-83.9	0.5	176.6	-60.5	0	0	0	0	113.8	I221 L222 A223 L231 L898	I221-C225 HydrophobicContact CG2-CB 3.91Å; L222-C225 WeakPolarHBondContact O-CB 3.42Å; L222-C225 PolarHBondContact O-N 2.85Å; A223-C225 PolarHBondContact O-N 3.2Å; C225-L231 HydrophobicContact CB-CD2 4.26Å; C225-L898 HydrophobicContact CB-CD2 3.85Å
226	T	81.2	Confident	80.7	Confident	23 Å²	23	53.5 Å²	53.5	14%	0.141	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-102.9	-3.1	-175.6	67.9	0	0	0	0	114.3	I221 A223 N224 Y895	I221-T226 HydrophobicContact CG2-CG2 4.21Å; A223-T226 PolarHBondContact O-N 3.47Å; A223-T226 PolarHBondContact O-OG1 3.18Å; N224-T226 VanDerWaalsContact C-N 3.28Å; N224-T226 PolarHBondContact O-N 3.37Å; T226-Y895 HydrophobicContact CG2-CD2 3.63Å; T226-Y895 HydrophobicContact CG2-CE2 3.72Å
227	H	84.2	Confident	80.6	Confident	29 Å²	29	52.2 Å²	52.2	13%	0.134	29%	0.287	C	S	.	.	S	Bend	trans	-141.9	149.6	-175.9	61.2	-98.8	0	0	0	111.6	A223 S229 G230 L231	A223-H227 PolarHBondContact O-CE1 3.45Å; A223-H227 PolarHBondContact O-ND1 2.94Å; H227-S229 VanDerWaalsContact C-N 3.34Å; H227-S229 PolarHBondContact CD2-OG 3.46Å; H227-S229 PolarHBondContact O-N 2.95Å; H227-G230 PolarHBondContact CD2-N 3.13Å; H227-G230 WeakPolarHBondContact NE2-CA 3.34Å; H227-G230 PolarHBondContact NE2-N 3.41Å; H227-G230 VanDerWaalsContact NE2-N 3.15Å; H227-G230 PolarHBondContact O-N 3.48Å; H227-L231 WeakPolarHBondContact O-CG 3.46Å; H227-L231 PolarHBondContact O-N 3.35Å
228	L	85.7	Confident	80.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-33	-171.2	-82.9	170.3	0	0	0	114.4	K232 I254 V303 I308 S313 Y861 F863	L228-K232 WeakPolarHBondContact O-CB 3.45Å; L228-K232 PolarHBondContact O-N 2.97Å; L228-I254 HydrophobicContact CD2-CG2 3.79Å; L228-V303 HydrophobicContact CD1-CG1 3.93Å; L228-I308 HydrophobicContact CB-CG2 4.36Å; L228-S313 WeakPolarHBondContact CD1-OG 3.49Å; L228-S313 VanDerWaalsContact CG-OG 3.23Å; L228-S313 WeakPolarHBondContact CG-OG 3.48Å; L228-Y861 HydrophobicContact CD1-CE1 4.23Å; L228-Y861 HydrophobicContact CD2-CD1 3.55Å; L228-Y861 HydrophobicContact CD2-CE1 3.78Å; L228-Y861 HydrophobicContact CD2-CG 4.1Å; L228-Y861 HydrophobicContact CG-CD1 4.28Å; L228-Y861 HydrophobicContact CG-CE1 3.99Å; L228-F863 HydrophobicContact CD2-CE2 4.28Å; L228-F863 HydrophobicContact CD2-CZ 3.66Å
229	S	85.4	Confident	80.1	Confident	29 Å²	29	47.7 Å²	47.7	20%	0.203	26%	0.263	C	S	.	.	H	α-helix	trans	-67.8	-46	178.5	52.5	0	0	0	0	112.6	H227 K232 E233 T309 E310	H227-S229 VanDerWaalsContact C-N 3.34Å; H227-S229 PolarHBondContact CD2-OG 3.46Å; H227-S229 PolarHBondContact O-N 2.95Å; S229-K232 WeakPolarHBondContact O-CB 3.29Å; S229-K232 PolarHBondContact O-N 3.31Å; S229-E233 WeakPolarHBondContact O-CB 3.15Å; S229-E233 PolarHBondContact O-N 3.33Å; S229-T309 WeakPolarHBondContact CB-O 3.43Å; S229-T309 PolarHBondContact N-O 2.92Å; S229-T309 PolarHBondContact OG-O 2.85Å; S229-E310 WeakPolarHBondContact OG-CA 3.49Å; S229-E310 WeakPolarHBondContact OG-CG 3.26Å; S229-E310 PolarHBondContact OG-N 3.32Å; S229-E310 VanDerWaalsContact OG-N 3.15Å
230	G	84.4	Confident	79.6	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-41.6	173	0	0	0	0	0	112.8	N224 H227 K232 E233 I234	N224-G230 CarbonylContact O-C 3.51Å; N224-G230 WeakPolarHBondContact O-CA 3.46Å; H227-G230 PolarHBondContact CD2-N 3.13Å; H227-G230 WeakPolarHBondContact NE2-CA 3.34Å; H227-G230 PolarHBondContact NE2-N 3.41Å; H227-G230 VanDerWaalsContact NE2-N 3.15Å; H227-G230 PolarHBondContact O-N 3.48Å; G230-K232 PolarHBondContact O-N 2.9Å; G230-E233 WeakPolarHBondContact O-CB 3.5Å; G230-E233 PolarHBondContact O-N 3.09Å; G230-I234 VanDerWaalsContact O-CG1 3.25Å; G230-I234 WeakPolarHBondContact O-CG1 3.48Å; G230-I234 PolarHBondContact O-N 3.21Å
231	L	86.2	Confident	79.1	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-41.6	173.7	-70.8	177.3	0	0	0	112.4	N224 C225 H227 E233 I234 F235 Y861 F863 I884	N224-L231 PolarHBondContact O-N 3.29Å; C225-L231 HydrophobicContact CB-CD2 4.26Å; H227-L231 WeakPolarHBondContact O-CG 3.46Å; H227-L231 PolarHBondContact O-N 3.35Å; L231-E233 VanDerWaalsContact C-N 3.34Å; L231-I234 HydrophobicContact CD2-CD1 4.4Å; L231-I234 PolarHBondContact O-N 3.43Å; L231-F235 WeakPolarHBondContact O-CB 3.29Å; L231-F235 PolarHBondContact O-N 3.14Å; L231-Y861 HydrophobicContact CD1-CD2 4.06Å; L231-Y861 HydrophobicContact CD1-CE2 4.42Å; L231-F863 HydrophobicContact CB-CE1 4.42Å; L231-F863 HydrophobicContact CB-CE2 4.02Å; L231-F863 HydrophobicContact CB-CZ 3.59Å; L231-F863 HydrophobicContact CD1-CE2 4.39Å; L231-I884 HydrophobicContact CB-CD1 4.28Å; L231-I884 HydrophobicContact CD1-CD1 3.83Å; L231-I884 HydrophobicContact CD1-CG2 4.38Å; L231-I884 HydrophobicContact CD2-CD1 3.58Å; L231-I884 HydrophobicContact CG-CD1 4.09Å
232	K	85.7	Confident	78	Confident	67 Å²	67	39.4 Å²	39.4	29%	0.291	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-43.2	172.4	172.2	175.7	179.8	-174.4	0	111.4	L228 S229 G230 F235 L236 L252 I308 F863	L228-K232 WeakPolarHBondContact O-CB 3.45Å; L228-K232 PolarHBondContact O-N 2.97Å; S229-K232 WeakPolarHBondContact O-CB 3.29Å; S229-K232 PolarHBondContact O-N 3.31Å; G230-K232 PolarHBondContact O-N 2.9Å; K232-F235 PolarHBondContact O-N 2.84Å; K232-L236 HydrophobicContact CG-CD1 3.92Å; K232-L236 HydrophobicContact CG-CG 4.45Å; K232-L236 WeakPolarHBondContact O-CB 3.48Å; K232-L236 VanDerWaalsContact O-CG 3.28Å; K232-L236 WeakPolarHBondContact O-CG 3.48Å; K232-L236 PolarHBondContact O-N 2.92Å; K232-L252 HydrophobicContact CB-CD2 4.23Å; K232-L252 HydrophobicContact CD-CD2 3.97Å; K232-L252 HydrophobicContact CG-CD2 3.63Å; K232-I308 HydrophobicContact CD-CG2 4.22Å; K232-F863 HydrophobicContact CB-CE1 4.08Å
233	E	82	Confident	76.9	Confident	107 Å²	107	41 Å²	41	50%	0.5	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-43.3	178.6	-171.9	-178.4	179.7	0	0	112	S229 G230 L231 F235 L236 T237 W243	S229-E233 WeakPolarHBondContact O-CB 3.15Å; S229-E233 PolarHBondContact O-N 3.33Å; G230-E233 WeakPolarHBondContact O-CB 3.5Å; G230-E233 PolarHBondContact O-N 3.09Å; L231-E233 VanDerWaalsContact C-N 3.34Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 3.03Å; E233-L236 PolarHBondContact O-N 2.83Å; E233-T237 VanDerWaalsContact O-CB 3.26Å; E233-T237 WeakPolarHBondContact O-CB 3.31Å; E233-T237 PolarHBondContact O-N 2.92Å; E233-T237 PolarHBondContact O-OG1 3.44Å; E233-W243 HydrophobicContact CG-CH2 3.85Å; E233-W243 HydrophobicContact CG-CZ2 3.68Å
234	I	80.4	Confident	75.7	Confident	42 Å²	42	42.9 Å²	42.9	22%	0.215	23%	0.226	C	C	.	.	H	α-helix	trans	-58.9	-47.4	174.4	-68.7	163.2	0	0	0	109.8	N224 G230 L231 T237 K238	N224-I234 HydrophobicContact CB-CD1 4.46Å; G230-I234 VanDerWaalsContact O-CG1 3.25Å; G230-I234 WeakPolarHBondContact O-CG1 3.48Å; G230-I234 PolarHBondContact O-N 3.21Å; L231-I234 HydrophobicContact CD2-CD1 4.4Å; L231-I234 PolarHBondContact O-N 3.43Å; I234-T237 PolarHBondContact O-N 3.36Å; I234-K238 WeakPolarHBondContact O-CB 3.21Å; I234-K238 WeakPolarHBondContact O-CG 3.49Å; I234-K238 PolarHBondContact O-N 2.86Å
235	F	82	Confident	74.4	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-49.7	178.8	-172.8	-116.3	0	0	0	111.7	L231 K232 E233 T237 K238 L239 L252 F863 T865 H880 L882 F904	L231-F235 WeakPolarHBondContact O-CB 3.29Å; L231-F235 PolarHBondContact O-N 3.14Å; K232-F235 PolarHBondContact O-N 2.84Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-F235 PolarHBondContact O-N 3.03Å; F235-T237 PolarHBondContact O-N 2.92Å; F235-K238 PolarHBondContact O-N 2.98Å; F235-L239 HydrophobicContact CD1-CD1 3.88Å; F235-L239 HydrophobicContact CE1-CD1 3.66Å; F235-L239 HydrophobicContact CG-CD1 4.48Å; F235-L239 HydrophobicContact CZ-CD1 4.1Å; F235-L239 VanDerWaalsContact O-CG 3.31Å; F235-L239 WeakPolarHBondContact O-CG 3.02Å; F235-L239 PolarHBondContact O-N 3.31Å; F235-L252 HydrophobicContact CD1-CD1 3.52Å; F235-L252 HydrophobicContact CE1-CD1 3.34Å; F235-L252 HydrophobicContact CZ-CD1 4.49Å; F235-F863 HydrophobicContact CD1-CB 4.24Å; F235-F863 HydrophobicContact CD1-CD1 4.49Å; F235-F863 HydrophobicContact CD2-CB 4.49Å; F235-F863 HydrophobicContact CE1-CB 4.23Å; F235-F863 HydrophobicContact CE2-CB 4.48Å; F235-F863 HydrophobicContact CG-CB 4.36Å; F235-F863 HydrophobicContact CZ-CB 4.35Å; F235-T865 HydrophobicContact CE1-CG2 3.6Å; F235-T865 HydrophobicContact CZ-CG2 3.78Å; F235-H880 HydrophobicContact CZ-CB 4.28Å; F235-L882 HydrophobicContact CB-CD2 4.25Å; F235-L882 HydrophobicContact CD2-CB 3.69Å; F235-L882 HydrophobicContact CD2-CD2 3.69Å; F235-L882 HydrophobicContact CD2-CG 4.35Å; F235-L882 HydrophobicContact CE2-CB 3.63Å; F235-L882 HydrophobicContact CE2-CD2 4.48Å; F235-L882 HydrophobicContact CG-CD2 4.34Å; F235-F904 HydrophobicContact CD2-CE1 4.26Å; F235-F904 HydrophobicContact CD2-CZ 4.49Å; F235-F904 AromaticContact CE2-CE1 3.73Å; F235-F904 HydrophobicContact CE2-CE1 3.73Å; F235-F904 HydrophobicContact CE2-CZ 4.12Å
236	L	79.1	Confident	73.1	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-40.4	178.4	-71.1	172.9	0	0	0	113	K232 E233 K238 L239 G240 Y241 W243 V249 P250	K232-L236 HydrophobicContact CG-CD1 3.92Å; K232-L236 HydrophobicContact CG-CG 4.45Å; K232-L236 WeakPolarHBondContact O-CB 3.48Å; K232-L236 VanDerWaalsContact O-CG 3.28Å; K232-L236 WeakPolarHBondContact O-CG 3.48Å; K232-L236 PolarHBondContact O-N 2.92Å; E233-L236 PolarHBondContact O-N 2.83Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-L239 HydrophobicContact CD2-CD1 4.43Å; L236-L239 WeakPolarHBondContact O-CB 3.48Å; L236-L239 PolarHBondContact O-N 3.46Å; L236-G240 PolarHBondContact O-N 3.34Å; L236-Y241 WeakPolarHBondContact O-CB 3.27Å; L236-Y241 PolarHBondContact O-N 3.47Å; L236-W243 HydrophobicContact CB-CH2 4.48Å; L236-W243 HydrophobicContact CB-CZ2 4.34Å; L236-W243 HydrophobicContact CD1-CH2 4.32Å; L236-V249 HydrophobicContact CD1-CG1 3.98Å; L236-V249 HydrophobicContact CD2-CG1 3.98Å; L236-P250 HydrophobicContact CD2-CG 3.86Å
237	T	74.7	Confident	71.9	Confident	72 Å²	72	56.7 Å²	56.7	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-42.3	176.8	-59.5	0	0	0	0	110.7	E233 I234 F235 G240	E233-T237 VanDerWaalsContact O-CB 3.26Å; E233-T237 WeakPolarHBondContact O-CB 3.31Å; E233-T237 PolarHBondContact O-N 2.92Å; E233-T237 PolarHBondContact O-OG1 3.44Å; I234-T237 PolarHBondContact O-N 3.36Å; F235-T237 PolarHBondContact O-N 2.92Å; T237-G240 WeakPolarHBondContact O-CA 3.34Å; T237-G240 PolarHBondContact O-N 2.78Å
238	K	72.9	Confident	70.8	Confident	86 Å²	86	60.5 Å²	60.5	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-69.7	-31.9	177.4	-73.7	-67.2	-166	165.9	0	112.8	I234 F235 L236 G240 R876 Q909 F910	I234-K238 WeakPolarHBondContact O-CB 3.21Å; I234-K238 WeakPolarHBondContact O-CG 3.49Å; I234-K238 PolarHBondContact O-N 2.86Å; F235-K238 PolarHBondContact O-N 2.98Å; L236-K238 VanDerWaalsContact C-N 3.34Å; K238-G240 PolarHBondContact O-N 2.77Å; K238-G240 VanDerWaalsContact O-N 3.1Å; K238-R876 PolarHBondContact O-NH1 3.45Å; K238-Q909 PolarHBondContact NZ-O 3.42Å; K238-F910 HydrophobicContact CB-CD2 4.11Å; K238-F910 HydrophobicContact CB-CE2 4.03Å; K238-F910 HydrophobicContact CG-CD2 4.2Å; K238-F910 HydrophobicContact CG-CE2 4.07Å; K238-F910 PolarHBondContact NZ-O 2.76Å
239	L	71.6	Confident	69.9	Low	5 Å²	5	64.2 Å²	64.2	3%	0.026	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-6.8	166.3	-67.1	170.1	0	0	0	113.2	F235 L236 Y241 T865 L867 R876 H880	F235-L239 HydrophobicContact CD1-CD1 3.88Å; F235-L239 HydrophobicContact CE1-CD1 3.66Å; F235-L239 HydrophobicContact CG-CD1 4.48Å; F235-L239 HydrophobicContact CZ-CD1 4.1Å; F235-L239 VanDerWaalsContact O-CG 3.31Å; F235-L239 WeakPolarHBondContact O-CG 3.02Å; F235-L239 PolarHBondContact O-N 3.31Å; L236-L239 HydrophobicContact CD2-CD1 4.43Å; L236-L239 WeakPolarHBondContact O-CB 3.48Å; L236-L239 PolarHBondContact O-N 3.46Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; L239-T865 HydrophobicContact CD1-CG2 3.7Å; L239-T865 HydrophobicContact CD2-CG2 4.38Å; L239-L867 HydrophobicContact CD2-CD1 4.26Å; L239-R876 PolarHBondContact O-NH1 2.97Å; L239-H880 HydrophobicContact CD2-CB 3.99Å
240	G	64.3	Low	69.2	Low	21 Å²	21	63.8 Å²	63.8	22%	0.216	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	25.8	174.8	0	0	0	0	0	111.5	L236 T237 K238 P242 N871	L236-G240 PolarHBondContact O-N 3.34Å; T237-G240 WeakPolarHBondContact O-CA 3.34Å; T237-G240 PolarHBondContact O-N 2.78Å; K238-G240 PolarHBondContact O-N 2.77Å; K238-G240 VanDerWaalsContact O-N 3.1Å; G240-P242 WeakPolarHBondContact O-CD 3.49Å; G240-N871 PolarHBondContact O-ND2 3.09Å
241	Y	62.8	Low	68.7	Low	34 Å²	34	71.6 Å²	71.6	13%	0.133	37%	0.37	C	S	.	.			trans	-67.3	120.5	-178.7	-167	-95	0	0	0	109.7	L236 L239 W243 Y247 P248 V249 P250	L236-Y241 WeakPolarHBondContact O-CB 3.27Å; L236-Y241 PolarHBondContact O-N 3.47Å; L239-Y241 VanDerWaalsContact C-N 3.26Å; Y241-W243 PolarHBondContact O-N 2.86Å; Y241-W243 VanDerWaalsContact O-N 3.11Å; Y241-Y247 WeakPolarHBondContact OH-CB 3.43Å; Y241-Y247 PolarHBondContact OH-O 3.16Å; Y241-P248 PolarHBondContact OH-O 3.14Å; Y241-P248 VanDerWaalsContact OH-O 3.14Å; Y241-V249 HydrophobicContact CE1-CG2 4.19Å; Y241-V249 PolarHBondContact OH-N 2.88Å; Y241-P250 HydrophobicContact CD2-CG 4.44Å
242	P	58.5	Low	68.4	Low	33 Å²	33	72.9 Å²	72.9	21%	0.214	38%	0.377	C	S	.	.			trans	-74.6	105.5	-179.9	28.8	-31.8	0	0	0	109.7	G240 S244 V245	G240-P242 WeakPolarHBondContact O-CD 3.49Å; P242-S244 PolarHBondContact O-N 3.33Å; P242-V245 HydrophobicContact CB-CB 4.41Å; P242-V245 HydrophobicContact CB-CG2 3.94Å; P242-V245 HydrophobicContact CG-CB 4.16Å; P242-V245 HydrophobicContact CG-CG2 4.06Å; P242-V245 PolarHBondContact O-N 2.89Å
243	W	54.9	Low	68.2	Low	154 Å²	154	71 Å²	71	58%	0.583	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.6	174.4	-61.1	98.3	0	0	0	113.6	E233 L236 Y241	E233-W243 HydrophobicContact CG-CH2 3.85Å; E233-W243 HydrophobicContact CG-CZ2 3.68Å; L236-W243 HydrophobicContact CB-CH2 4.48Å; L236-W243 HydrophobicContact CB-CZ2 4.34Å; L236-W243 HydrophobicContact CD1-CH2 4.32Å; Y241-W243 PolarHBondContact O-N 2.86Å; Y241-W243 VanDerWaalsContact O-N 3.11Å
244	S	52.9	Low	68.4	Low	112 Å²	112	66 Å²	66	78%	0.783	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.9	-176.3	54.6	0	0	0	0	115.3	P242	P242-S244 PolarHBondContact O-N 3.33Å
245	V	52.4	Low	68.5	Low	68 Å²	68	64.7 Å²	64.7	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	-117.8	135.6	-174.9	-169.5	0	0	0	0	110.7	P242 Y247	P242-V245 HydrophobicContact CB-CB 4.41Å; P242-V245 HydrophobicContact CB-CG2 3.94Å; P242-V245 HydrophobicContact CG-CB 4.16Å; P242-V245 HydrophobicContact CG-CG2 4.06Å; P242-V245 PolarHBondContact O-N 2.89Å; V245-Y247 HydrophobicContact CB-CD2 4.06Å; V245-Y247 HydrophobicContact CG1-CD2 3.39Å; V245-Y247 HydrophobicContact CG1-CE2 3.68Å; V245-Y247 PolarHBondContact O-N 3.22Å
246	N	53.9	Low	68.6	Low	175 Å²	175	64.7 Å²	64.7	94%	0.936	34%	0.342	S	S	*	.			trans	-63.9	28.4	178.1	-75.3	-14.5	0	0	0	114.8
247	Y	56.8	Low	68.8	Low	146 Å²	146	64.7 Å²	64.7	57%	0.573	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-69.9	149.2	166.7	-80.7	-78	0	0	0	109.6	Y241 V245	Y241-Y247 WeakPolarHBondContact OH-CB 3.43Å; Y241-Y247 PolarHBondContact OH-O 3.16Å; V245-Y247 HydrophobicContact CB-CD2 4.06Å; V245-Y247 HydrophobicContact CG1-CD2 3.39Å; V245-Y247 HydrophobicContact CG1-CE2 3.68Å; V245-Y247 PolarHBondContact O-N 3.22Å
248	P	61.2	Low	69.2	Low	109 Å²	109	61.2 Å²	61.2	71%	0.708	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-70.4	130.1	169.2	27.6	-30.8	0	0	0	109.6	Y241	Y241-P248 PolarHBondContact OH-O 3.14Å; Y241-P248 VanDerWaalsContact OH-O 3.14Å
249	V	66.5	Low	69.5	Low	78 Å²	78	58 Å²	58	47%	0.473	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-53.3	132.8	173.9	179.8	0	0	0	0	108.3	L236 Y241	L236-V249 HydrophobicContact CD1-CG1 3.98Å; L236-V249 HydrophobicContact CD2-CG1 3.98Å; Y241-V249 HydrophobicContact CE1-CG2 4.19Å; Y241-V249 PolarHBondContact OH-N 2.88Å
250	P	69	Low	69.7	Low	21 Å²	21	58 Å²	58	14%	0.136	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.5	144	179.4	24.5	-34.7	0	0	0	110.3	L236 Y241 L252 L867	L236-P250 HydrophobicContact CD2-CG 3.86Å; Y241-P250 HydrophobicContact CD2-CG 4.44Å; P250-L252 PolarHBondContact O-N 2.74Å; P250-L252 VanDerWaalsContact O-N 3.07Å; P250-L867 HydrophobicContact CB-CD2 4.15Å; P250-L867 HydrophobicContact CG-CD2 4.43Å
251	K	75	Confident	69.9	Low	165 Å²	165	63.8 Å²	63.8	72%	0.717	32%	0.322	S	S	*	.			trans	-66.2	113.4	177.5	-171.5	-170.9	173.6	-159.9	0	108.2	D253 T865	K251-D253 IonicContact NZ-OD1 2.96Å; K251-T865 PolarHBondContact O-OG1 2.87Å
252	L	79.4	Confident	69.9	Low	29 Å²	29	64 Å²	64	15%	0.152	33%	0.325	C	S	.	.			trans	-103.3	117.9	-178.7	179.6	69	0	0	0	109.5	K232 F235 P250 I254 F863	K232-L252 HydrophobicContact CB-CD2 4.23Å; K232-L252 HydrophobicContact CD-CD2 3.97Å; K232-L252 HydrophobicContact CG-CD2 3.63Å; F235-L252 HydrophobicContact CD1-CD1 3.52Å; F235-L252 HydrophobicContact CE1-CD1 3.34Å; F235-L252 HydrophobicContact CZ-CD1 4.49Å; P250-L252 PolarHBondContact O-N 2.74Å; P250-L252 VanDerWaalsContact O-N 3.07Å; L252-I254 HydrophobicContact CD2-CD1 3.95Å; L252-I254 HydrophobicContact CD2-CG1 4Å; L252-I254 HydrophobicContact CG-CD1 4.4Å; L252-I254 HydrophobicContact CG-CG1 3.92Å; L252-F863 HydrophobicContact CD1-CB 4.19Å; L252-F863 HydrophobicContact CD1-CD1 4.09Å; L252-F863 HydrophobicContact CD2-CD1 3.81Å; L252-F863 HydrophobicContact CD2-CE1 4.19Å; L252-F863 HydrophobicContact CG-CD1 4.23Å
253	D	82.6	Confident	69.9	Low	27 Å²	27	65.6 Å²	65.6	14%	0.144	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	128.1	171.6	-66.8	-28.8	0	0	0	108.9	I103 K251 Y864	I103-D253 WeakPolarHBondContact CD1-OD2 3.38Å; K251-D253 IonicContact NZ-OD1 2.96Å; D253-Y864 PolarHBondContact N-O 2.67Å; D253-Y864 PolarHBondContact O-N 2.72Å
254	I	85.7	Confident	69.6	Low	4 Å²	4	60.7 Å²	60.7	2%	0.021	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123	-178.4	-54.4	176.9	0	0	0	108.2	L228 L252 L302 V303 I308 I862 F863	L228-I254 HydrophobicContact CD2-CG2 3.79Å; L252-I254 HydrophobicContact CD2-CD1 3.95Å; L252-I254 HydrophobicContact CD2-CG1 4Å; L252-I254 HydrophobicContact CG-CD1 4.4Å; L252-I254 HydrophobicContact CG-CG1 3.92Å; I254-L302 WeakPolarHBondContact O-CA 3.1Å; I254-V303 HydrophobicContact CB-CB 4.17Å; I254-V303 HydrophobicContact CB-CG2 4.29Å; I254-V303 HydrophobicContact CG2-CB 4.12Å; I254-V303 HydrophobicContact CG2-CG2 3.8Å; I254-V303 WeakPolarHBondContact O-CG2 3.33Å; I254-V303 PolarHBondContact O-N 3.48Å; I254-I308 HydrophobicContact CD1-CD1 3.78Å; I254-I308 HydrophobicContact CD1-CG1 4.22Å; I254-I862 CarbonylContact C-O 3.58Å; I254-I862 VanDerWaalsContact CA-O 3.32Å; I254-I862 WeakPolarHBondContact CA-O 3.35Å; I254-F863 HydrophobicContact CD1-CD1 4.23Å; I254-F863 HydrophobicContact CD1-CE1 3.75Å; I254-F863 HydrophobicContact CD1-CZ 4.49Å; I254-F863 HydrophobicContact CG1-CD1 3.96Å; I254-F863 HydrophobicContact CG1-CE1 3.94Å; I254-F863 HydrophobicContact CG2-CE1 4.4Å; I254-F863 HydrophobicContact CG2-CZ 4.38Å
255	S	83	Confident	69.4	Low	13 Å²	13	63.3 Å²	63.3	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.5	168.7	-48.9	0	0	0	0	109.9	W300 P301 Y861 I862	S255-W300 WeakPolarHBondContact CA-O 3.42Å; S255-P301 WeakPolarHBondContact CA-O 3.14Å; S255-P301 WeakPolarHBondContact CB-O 3.47Å; S255-P301 PolarHBondContact OG-O 3.47Å; S255-Y861 CarbonylContact O-C 3.49Å; S255-Y861 WeakPolarHBondContact O-CA 3.15Å; S255-I862 PolarHBondContact N-O 3.41Å; S255-I862 PolarHBondContact O-N 3.3Å
256	A	84	Confident	69	Low	1 Å²	1	62.7 Å²	62.7	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.5	178.5	0	0	0	0	0	111.2	F258 T299 W300 V303 L317 L860 Y861	A256-F258 HydrophobicContact CB-CZ 4.27Å; A256-T299 CarbonylContact O-C 3.59Å; A256-T299 WeakPolarHBondContact O-CA 3.1Å; A256-W300 PolarHBondContact N-O 2.88Å; A256-W300 PolarHBondContact O-N 2.96Å; A256-V303 HydrophobicContact CB-CG2 3.56Å; A256-L317 HydrophobicContact CB-CD1 4.24Å; A256-L860 CarbonylContact C-O 3.59Å; A256-L860 WeakPolarHBondContact CA-O 3.27Å; A256-Y861 HydrophobicContact CB-CD1 3.75Å; A256-Y861 HydrophobicContact CB-CE1 3.85Å
257	R	83	Confident	68.3	Low	5 Å²	5	58.1 Å²	58.1	2%	0.019	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.3	173.6	175.2	175.6	180	134.1	3.6	110.2	M106 I259 A297 T298 T299 Q326 L860	M106-R257 HydrophobicContact CE-CB 4.35Å; R257-I259 HydrophobicContact CG-CG1 4.41Å; R257-A297 HydrophobicContact CG-CB 4.38Å; R257-T298 CarbonylContact C-O 3.6Å; R257-T298 VanDerWaalsContact CA-O 3.24Å; R257-T298 WeakPolarHBondContact CA-O 3.42Å; R257-T299 HydrophobicContact CB-CG2 4.34Å; R257-T299 WeakPolarHBondContact CG-OG1 3.12Å; R257-Q326 VanDerWaalsContact CZ-OE1 3.31Å; R257-L860 HydrophobicContact CB-CB 4.19Å; R257-L860 PolarHBondContact N-O 2.66Å; R257-L860 PolarHBondContact O-N 3.26Å
258	F	83	Confident	67.4	Low	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	176.6	-55.8	-54.5	0	0	0	110.5	A256 Y260 A297 T298 W300 L317 P856 Y858 E859 Y861	A256-F258 HydrophobicContact CB-CZ 4.27Å; F258-Y260 HydrophobicContact CB-CE2 3.95Å; F258-A297 CarbonylContact O-C 3.44Å; F258-A297 VanDerWaalsContact O-CA 3.28Å; F258-A297 WeakPolarHBondContact O-CA 3.03Å; F258-T298 PolarHBondContact N-O 3.33Å; F258-T298 PolarHBondContact O-N 2.91Å; F258-T298 PolarHBondContact O-OG1 3.23Å; F258-W300 HydrophobicContact CD2-CE3 4.07Å; F258-W300 HydrophobicContact CD2-CH2 4.02Å; F258-W300 AromaticContact CD2-CZ3 3.35Å; F258-W300 HydrophobicContact CD2-CZ3 3.35Å; F258-W300 AromaticContact CE2-CE3 3.92Å; F258-W300 HydrophobicContact CE2-CE3 3.92Å; F258-W300 HydrophobicContact CE2-CH2 4.14Å; F258-W300 AromaticContact CE2-CZ3 3.53Å; F258-W300 HydrophobicContact CE2-CZ3 3.53Å; F258-L317 HydrophobicContact CE2-CB 3.65Å; F258-L317 HydrophobicContact CE2-CD1 3.89Å; F258-L317 HydrophobicContact CE2-CG 4.42Å; F258-L317 HydrophobicContact CZ-CB 4.28Å; F258-L317 HydrophobicContact CZ-CD1 3.97Å; F258-P856 HydrophobicContact CB-CB 3.81Å; F258-P856 HydrophobicContact CB-CG 4.03Å; F258-P856 HydrophobicContact CD1-CG 3.89Å; F258-P856 HydrophobicContact CG-CB 4.46Å; F258-P856 HydrophobicContact CG-CG 4.14Å; F258-Y858 WeakPolarHBondContact CA-O 3.47Å; F258-E859 HydrophobicContact CD1-CB 3.99Å; F258-E859 HydrophobicContact CD1-CG 3.87Å; F258-E859 HydrophobicContact CE1-CB 4.08Å; F258-E859 HydrophobicContact CE1-CG 4.07Å; F258-Y861 HydrophobicContact CE1-CE1 4.05Å; F258-Y861 AromaticContact CE1-CZ 3.97Å; F258-Y861 WeakPolarHBondContact CE1-OH 3.49Å; F258-Y861 HydrophobicContact CZ-CE1 4.28Å
259	I	78.8	Confident	66.2	Low	19 Å²	19	55.9 Å²	55.9	10%	0.097	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123	178.8	-51.2	176.7	0	0	0	109.6	R257 N295 L296 A297 N857 Y858 L860	R257-I259 HydrophobicContact CG-CG1 4.41Å; I259-N295 HydrophobicContact CG2-CB 3.92Å; I259-L296 CarbonylContact C-O 3.32Å; I259-L296 VanDerWaalsContact CA-O 3.3Å; I259-L296 WeakPolarHBondContact CA-O 3.04Å; I259-A297 HydrophobicContact CG1-CB 4.28Å; I259-N857 PolarHBondContact O-N 2.97Å; I259-Y858 HydrophobicContact CB-CD2 4.44Å; I259-Y858 PolarHBondContact N-O 3.21Å; I259-Y858 PolarHBondContact O-N 3.38Å; I259-Y858 VanDerWaalsContact O-N 3.09Å; I259-L860 HydrophobicContact CD1-CD1 3.79Å; I259-L860 HydrophobicContact CD1-CD2 4.48Å; I259-L860 HydrophobicContact CG1-CD1 4.08Å
260	Y	76.4	Confident	64.9	Low	3 Å²	3	57.9 Å²	57.9	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.5	177	-54.4	-91.3	0	0	0	109.3	F258 L262 N295 L296 T298 P319 L853 P856	F258-Y260 HydrophobicContact CB-CE2 3.95Å; Y260-L262 PolarHBondContact O-N 3.42Å; Y260-N295 CarbonylContact O-C 3.55Å; Y260-N295 VanDerWaalsContact O-CA 3.31Å; Y260-N295 WeakPolarHBondContact O-CA 3.19Å; Y260-L296 HydrophobicContact CD2-CB 4.44Å; Y260-L296 HydrophobicContact CD2-CD2 4.26Å; Y260-L296 HydrophobicContact CD2-CG 4.34Å; Y260-L296 WeakPolarHBondContact CD2-O 3.34Å; Y260-L296 PolarHBondContact N-O 3.47Å; Y260-L296 PolarHBondContact O-N 3.15Å; Y260-T298 HydrophobicContact CE2-CG2 4.09Å; Y260-P319 HydrophobicContact CE2-CB 4.04Å; Y260-L853 HydrophobicContact CD1-CD2 4.25Å; Y260-L853 WeakPolarHBondContact CE1-O 3.42Å; Y260-L853 HydrophobicContact CG-CD2 4.31Å; Y260-P856 HydrophobicContact CD1-CB 3.98Å; Y260-P856 HydrophobicContact CE1-CB 3.7Å; Y260-P856 HydrophobicContact CE1-CG 4.43Å
261	R	68.6	Low	63.3	Low	144 Å²	144	63 Å²	63	54%	0.543	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.7	169.2	-170.5	176.8	-176.1	170.1	2.7	108.7	N857	R261-N857 HydrophobicContact CB-CB 4.4Å; R261-N857 WeakPolarHBondContact CB-OD1 3.34Å; R261-N857 PolarHBondContact N-OD1 3.04Å
262	L	63.2	Low	61.6	Low	37 Å²	37	61.1 Å²	61.1	19%	0.194	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	141.7	174.5	-51.2	176.7	0	0	0	109.1	Y260 F294 L327 V851 L853	Y260-L262 PolarHBondContact O-N 3.42Å; L262-F294 HydrophobicContact CB-CB 4.04Å; L262-F294 HydrophobicContact CD1-CB 3.95Å; L262-F294 HydrophobicContact CG-CB 4.33Å; L262-F294 PolarHBondContact N-O 3.38Å; L262-L327 HydrophobicContact CD1-CD1 4.45Å; L262-V851 HydrophobicContact CD2-CG1 4.5Å; L262-L853 HydrophobicContact CD2-CD2 4.06Å
263	P	57	Low	59.5	Low	67 Å²	67	68.3 Å²	68.3	44%	0.435	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-64.7	156.4	178.5	28	-34.9	0	0	0	112	V851	P263-V851 HydrophobicContact CG-CG2 3.45Å; P263-V851 VanDerWaalsContact CG-CG2 3.45Å
264	S	48.7	Very low	57.4	Low	51 Å²	51	74.7 Å²	74.7	36%	0.357	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-66.7	132.3	176.4	177.2	0	0	0	0	111.1	S266	S264-S266 PolarHBondContact O-N 2.86Å; S264-S266 PolarHBondContact OG-OG 3.48Å
265	W	48.6	Very low	55	Low	167 Å²	167	78.5 Å²	78.5	63%	0.633	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-76.8	-0.7	-175.4	-66.4	31.9	0	0	0	113.3	S267 L268	W265-S267 PolarHBondContact O-N 3.24Å; W265-L268 PolarHBondContact O-N 3.26Å
266	S	43.6	Very low	52.7	Low	56 Å²	56	85.8 Å²	85.8	39%	0.392	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-59.3	-20.1	-176.4	48.3	0	0	0	0	114.6	S264 L268 R269	S264-S266 PolarHBondContact O-N 2.86Å; S264-S266 PolarHBondContact OG-OG 3.48Å; S266-L268 VanDerWaalsContact C-N 3.3Å; S266-L268 PolarHBondContact O-N 3.32Å; S266-R269 WeakPolarHBondContact O-CB 3.31Å; S266-R269 VanDerWaalsContact O-CG 3.31Å; S266-R269 WeakPolarHBondContact O-CG 3.16Å; S266-R269 PolarHBondContact O-N 2.85Å
267	S	40.5	Very low	50.2	Low	78 Å²	78	88.1 Å²	88.1	55%	0.545	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-72.4	-15.8	175.7	46.5	0	0	0	0	114.3	W265 R269	W265-S267 PolarHBondContact O-N 3.24Å; S267-R269 PolarHBondContact O-N 3.3Å
268	L	38.2	Very low	47.7	Very low	83 Å²	83	94.6 Å²	94.6	44%	0.435	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-75	-2.1	172.3	-86.3	139.2	0	0	0	113.7	W265 S266 V270 D271 Y272	W265-L268 PolarHBondContact O-N 3.26Å; S266-L268 VanDerWaalsContact C-N 3.3Å; S266-L268 PolarHBondContact O-N 3.32Å; L268-V270 PolarHBondContact O-N 3.29Å; L268-V270 VanDerWaalsContact O-N 3.11Å; L268-D271 PolarHBondContact O-N 3.27Å; L268-Y272 HydrophobicContact CD2-CD2 4.17Å; L268-Y272 HydrophobicContact CD2-CE2 3.75Å
269	R	35.3	Very low	45.3	Very low	126 Å²	126	100 Å²	100	48%	0.475	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-52.5	-30.3	178	-91.4	-177.4	177.5	-174.3	-0.3	114.3	S266 S267 L285	S266-R269 WeakPolarHBondContact O-CB 3.31Å; S266-R269 VanDerWaalsContact O-CG 3.31Å; S266-R269 WeakPolarHBondContact O-CG 3.16Å; S266-R269 PolarHBondContact O-N 2.85Å; S267-R269 PolarHBondContact O-N 3.3Å; R269-L285 PolarHBondContact NH2-O 3.24Å
270	V	39.7	Very low	43.1	Very low	120 Å²	120	104.9 Å²	104.9	73%	0.727	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-77.8	-32.4	-169.5	-176	0	0	0	0	112	L268	L268-V270 PolarHBondContact O-N 3.29Å; L268-V270 VanDerWaalsContact O-N 3.11Å
271	D	35.1	Very low	40.8	Very low	129 Å²	129	108.1 Å²	108.1	69%	0.69	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-17.3	-169.4	-62.4	-27.3	0	0	0	114	L268	L268-D271 PolarHBondContact O-N 3.27Å
272	Y	38.8	Very low	39.2	Very low	124 Å²	124	106.1 Å²	106.1	49%	0.486	55%	0.553	S	S	.	*			trans	-103.9	8.8	-170.7	-80.3	-83.5	0	0	0	116.2	L268 N274	L268-Y272 HydrophobicContact CD2-CD2 4.17Å; L268-Y272 HydrophobicContact CD2-CE2 3.75Å; Y272-N274 PolarHBondContact O-N 3.22Å
273	Q	35.7	Very low	37.6	Very low	181 Å²	181	109.4 Å²	109.4	85%	0.846	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-8.2	174.2	-80.1	-167.7	-16.9	0	0	114.3
274	N	37.9	Very low	36.6	Very low	161 Å²	161	109.4 Å²	109.4	86%	0.861	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	6.6	-172.7	-118.9	6.8	0	0	0	116.7	Y272	Y272-N274 PolarHBondContact O-N 3.22Å
275	T	36.1	Very low	36	Very low	83 Å²	83	110.9 Å²	110.9	51%	0.509	57%	0.57	S	S	.	*			trans	-110.4	106.4	174	58	0	0	0	0	110.8	S277	T275-S277 PolarHBondContact O-N 2.95Å
276	N	34.2	Very low	35.4	Very low	166 Å²	166	109.9 Å²	109.9	89%	0.888	57%	0.573	S	S	*	*			trans	-64.2	30.6	170.6	-84.3	-13.1	0	0	0	113.9	L278	N276-L278 VanDerWaalsContact C-N 3.29Å; N276-L278 PolarHBondContact O-N 3.35Å
277	S	30.8	Very low	35	Very low	51 Å²	51	114.3 Å²	114.3	36%	0.357	58%	0.581	S	S	.	*			trans	-76.8	84.1	173.4	176.4	0	0	0	0	109.2	T275 I279 F280	T275-S277 PolarHBondContact O-N 2.95Å; S277-I279 PolarHBondContact O-N 3.07Å; S277-F280 PolarHBondContact O-N 3.22Å; S277-F280 VanDerWaalsContact O-N 3.16Å
278	L	31.7	Very low	34.8	Very low	140 Å²	140	115.8 Å²	115.8	73%	0.733	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-13	-178.1	-74.8	155.6	0	0	0	114.6	N276 F280 S281	N276-L278 VanDerWaalsContact C-N 3.29Å; N276-L278 PolarHBondContact O-N 3.35Å; L278-F280 PolarHBondContact O-N 2.82Å; L278-S281 VanDerWaalsContact CA-OG 3.26Å; L278-S281 WeakPolarHBondContact CA-OG 3.16Å; L278-S281 WeakPolarHBondContact CD2-OG 3.32Å; L278-S281 PolarHBondContact O-N 3.32Å; L278-S281 PolarHBondContact O-OG 2.87Å
279	I	32.9	Very low	34.9	Very low	113 Å²	113	117.2 Å²	117.2	58%	0.579	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-28.9	176.3	-69.1	170.4	0	0	0	111.5	S277 F282	S277-I279 PolarHBondContact O-N 3.07Å; I279-F282 WeakPolarHBondContact O-CE2 3.34Å
280	F	31.3	Very low	35.3	Very low	123 Å²	123	113.9 Å²	113.9	54%	0.539	59%	0.594	S	S	.	*	S	Bend	trans	-120.3	16.6	174.8	-70.5	-74.6	0	0	0	113.9	S277 L278 F282 F346	S277-F280 PolarHBondContact O-N 3.22Å; S277-F280 VanDerWaalsContact O-N 3.16Å; L278-F280 PolarHBondContact O-N 2.82Å; F280-F282 HydrophobicContact CB-CD2 4.47Å; F280-F282 AromaticContact CD1-CD2 3.83Å; F280-F282 HydrophobicContact CD1-CD2 3.83Å; F280-F282 AromaticContact CD1-CE2 3.74Å; F280-F282 HydrophobicContact CD1-CE2 3.74Å; F280-F282 HydrophobicContact CE1-CE2 4.18Å; F280-F282 PolarHBondContact O-N 3.43Å; F280-F346 HydrophobicContact CZ-CZ 4.42Å
281	S	28.8	Very low	35.8	Very low	70 Å²	70	114 Å²	114	49%	0.49	59%	0.591	S	S	.	*			trans	-72.8	48.8	159.3	62.9	0	0	0	0	110.2	L278 D283	L278-S281 VanDerWaalsContact CA-OG 3.26Å; L278-S281 WeakPolarHBondContact CA-OG 3.16Å; L278-S281 WeakPolarHBondContact CD2-OG 3.32Å; L278-S281 PolarHBondContact O-N 3.32Å; L278-S281 PolarHBondContact O-OG 2.87Å; S281-D283 VanDerWaalsContact C-N 3.27Å; S281-D283 PolarHBondContact O-N 2.86Å; S281-D283 VanDerWaalsContact O-N 3.1Å
282	F	34.6	Very low	36.6	Very low	102 Å²	102	109.5 Å²	109.5	45%	0.447	57%	0.566	S	S	.	*			trans	-68.4	96.9	153.2	-65	-81.4	0	0	0	105.2	I279 F280 L284	I279-F282 WeakPolarHBondContact O-CE2 3.34Å; F280-F282 HydrophobicContact CB-CD2 4.47Å; F280-F282 AromaticContact CD1-CD2 3.83Å; F280-F282 HydrophobicContact CD1-CD2 3.83Å; F280-F282 AromaticContact CD1-CE2 3.74Å; F280-F282 HydrophobicContact CD1-CE2 3.74Å; F280-F282 HydrophobicContact CE1-CE2 4.18Å; F280-F282 PolarHBondContact O-N 3.43Å; F282-L284 HydrophobicContact CB-CB 4.48Å; F282-L284 HydrophobicContact CB-CD1 3.68Å; F282-L284 HydrophobicContact CB-CG 3.92Å; F282-L284 HydrophobicContact CG-CD1 4.25Å; F282-L284 PolarHBondContact O-N 2.94Å
283	D	30.9	Very low	37.4	Very low	106 Å²	106	104.3 Å²	104.3	57%	0.567	55%	0.549	S	S	*	.			trans	-70.3	40.2	169.4	-120.7	-12.8	0	0	0	111.4	S281 L285 Q286	S281-D283 VanDerWaalsContact C-N 3.27Å; S281-D283 PolarHBondContact O-N 2.86Å; S281-D283 VanDerWaalsContact O-N 3.1Å; D283-L285 PolarHBondContact O-N 2.61Å; D283-Q286 PolarHBondContact O-N 2.89Å; D283-Q286 VanDerWaalsContact OD2-CD 3.31Å; D283-Q286 PolarHBondContact OD2-NE2 2.74Å
284	L	35.5	Very low	38.6	Very low	68 Å²	68	97.8 Å²	97.8	36%	0.356	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-18.8	165.2	-77.6	162	0	0	0	111.6	F282 M339	F282-L284 HydrophobicContact CB-CB 4.48Å; F282-L284 HydrophobicContact CB-CD1 3.68Å; F282-L284 HydrophobicContact CB-CG 3.92Å; F282-L284 HydrophobicContact CG-CD1 4.25Å; F282-L284 PolarHBondContact O-N 2.94Å; L284-M339 HydrophobicContact CD1-CE 3.47Å; L284-M339 VanDerWaalsContact CD1-CE 3.47Å; L284-M339 HydrophobicContact CD2-CE 3.67Å; L284-M339 HydrophobicContact CD2-SD 3.86Å; L284-M339 HydrophobicContact CG-CE 4.23Å
285	L	35.6	Very low	39.9	Very low	81 Å²	81	91.2 Å²	91.2	42%	0.424	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.7	-170.4	-69.2	166.5	0	0	0	114.3	R269 D283 R287	R269-L285 PolarHBondContact NH2-O 3.24Å; D283-L285 PolarHBondContact O-N 2.61Å; L285-R287 VanDerWaalsContact C-N 3.29Å
286	Q	35.3	Very low	41.5	Very low	146 Å²	146	88.7 Å²	88.7	68%	0.682	47%	0.466	S	S	*	.	S	Bend	trans	-71.3	-24.3	171.8	-87.6	-170.2	23.3	0	0	112.7	D283 T288	D283-Q286 PolarHBondContact O-N 2.89Å; D283-Q286 VanDerWaalsContact OD2-CD 3.31Å; D283-Q286 PolarHBondContact OD2-NE2 2.74Å; Q286-T288 PolarHBondContact O-N 2.85Å; Q286-T288 VanDerWaalsContact O-N 3.11Å
287	R	36.4	Very low	43.2	Very low	150 Å²	150	80.8 Å²	80.8	57%	0.566	42%	0.423	S	S	*	.	S	Bend	trans	-83.4	92.7	169.1	-71.4	-168.1	176.5	-170.8	3.3	109.6	L285 S289	L285-R287 VanDerWaalsContact C-N 3.29Å; R287-S289 PolarHBondContact O-N 2.88Å
288	T	35	Very low	45.6	Very low	108 Å²	108	78.4 Å²	78.4	66%	0.663	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.8	129.2	161.3	44.1	0	0	0	0	110.3	Q286	Q286-T288 PolarHBondContact O-N 2.85Å; Q286-T288 VanDerWaalsContact O-N 3.11Å
289	S	41.2	Very low	47.6	Very low	113 Å²	113	71.9 Å²	71.9	79%	0.79	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	25	169.4	68.7	0	0	0	0	121.1	R287 N291	R287-S289 PolarHBondContact O-N 2.88Å; S289-N291 PolarHBondContact O-N 3.48Å
290	M	43.9	Very low	49.9	Very low	57 Å²	57	67.3 Å²	67.3	28%	0.281	35%	0.348	S	S	.	.			trans	-76	103.1	159.1	-68.6	-119.6	-170.2	0	0	110.6	L292 F335	M290-L292 HydrophobicContact CB-CD1 4.47Å; M290-L292 HydrophobicContact CB-CG 4.18Å; M290-L292 PolarHBondContact O-N 3.2Å; M290-F335 HydrophobicContact CE-CD1 4.11Å; M290-F335 HydrophobicContact CE-CE1 4.48Å; M290-F335 HydrophobicContact CE-CG 4.27Å; M290-F335 HydrophobicContact SD-CD1 4.39Å
291	N	49.3	Very low	52	Low	122 Å²	122	63.7 Å²	63.7	65%	0.652	34%	0.337	S	S	*	.			trans	-74.2	79.5	169.2	-81.9	-19.8	0	0	0	109.7	S289	S289-N291 PolarHBondContact O-N 3.48Å
292	L	52.3	Low	54.4	Low	34 Å²	34	65.6 Å²	65.6	18%	0.178	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.1	172.4	-63.6	167.3	0	0	0	109.7	M290 L329 A331	M290-L292 HydrophobicContact CB-CD1 4.47Å; M290-L292 HydrophobicContact CB-CG 4.18Å; M290-L292 PolarHBondContact O-N 3.2Å; L292-L329 HydrophobicContact CB-CD1 4.5Å; L292-L329 HydrophobicContact CD2-CD1 4.2Å; L292-L329 HydrophobicContact CD2-CD2 4.27Å; L292-L329 HydrophobicContact CD2-CG 4.47Å; L292-A331 HydrophobicContact CD2-CB 3.62Å
293	S	55.2	Low	56.8	Low	16 Å²	16	61.1 Å²	61.1	11%	0.112	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.2	171	51.9	0	0	0	0	109.5	C330	S293-C330 PolarHBondContact N-O 3.46Å; S293-C330 PolarHBondContact O-N 3.27Å; S293-C330 VanDerWaalsContact O-O 3.14Å; S293-C330 WeakPolarHBondContact OG-CB 3.32Å; S293-C330 PolarHBondContact OG-O 2.78Å; S293-C330 VanDerWaalsContact OG-O 3.12Å
294	F	62.1	Low	59.2	Low	44 Å²	44	58 Å²	58	19%	0.193	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.4	174.2	-70.1	-94.6	0	0	0	109.3	L262 L327 Q328 L329	L262-F294 HydrophobicContact CB-CB 4.04Å; L262-F294 HydrophobicContact CD1-CB 3.95Å; L262-F294 HydrophobicContact CG-CB 4.33Å; L262-F294 PolarHBondContact N-O 3.38Å; F294-L327 HydrophobicContact CD1-CD2 4.5Å; F294-Q328 WeakPolarHBondContact CA-O 3.43Å; F294-L329 HydrophobicContact CD1-CD1 3.81Å; F294-L329 HydrophobicContact CD2-CD1 4.16Å; F294-L329 HydrophobicContact CE1-CD1 3.52Å; F294-L329 HydrophobicContact CE2-CD1 3.88Å; F294-L329 HydrophobicContact CG-CD1 4.13Å; F294-L329 HydrophobicContact CZ-CD1 3.55Å
295	N	64.2	Low	61.2	Low	23 Å²	23	59.6 Å²	59.6	12%	0.123	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.7	174.7	-66.5	-25	0	0	0	108.8	I259 Y260 Q328 C330 W782	I259-N295 HydrophobicContact CG2-CB 3.92Å; Y260-N295 CarbonylContact O-C 3.55Å; Y260-N295 VanDerWaalsContact O-CA 3.31Å; Y260-N295 WeakPolarHBondContact O-CA 3.19Å; N295-Q328 HydrophobicContact CB-CB 4.29Å; N295-Q328 PolarHBondContact N-O 2.94Å; N295-Q328 PolarHBondContact ND2-OE1 3.2Å; N295-Q328 PolarHBondContact O-N 3.07Å; N295-C330 PolarHBondContact ND2-SG 2.82Å; N295-W782 HydrophobicContact CB-CH2 4.12Å
296	L	70.8	Confident	63.2	Low	30 Å²	30	62.3 Å²	62.3	16%	0.157	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.8	168	174	68.3	0	0	0	108.1	I259 Y260 T298 L327 L785	I259-L296 CarbonylContact C-O 3.32Å; I259-L296 VanDerWaalsContact CA-O 3.3Å; I259-L296 WeakPolarHBondContact CA-O 3.04Å; Y260-L296 HydrophobicContact CD2-CB 4.44Å; Y260-L296 HydrophobicContact CD2-CD2 4.26Å; Y260-L296 HydrophobicContact CD2-CG 4.34Å; Y260-L296 WeakPolarHBondContact CD2-O 3.34Å; Y260-L296 PolarHBondContact N-O 3.47Å; Y260-L296 PolarHBondContact O-N 3.15Å; L296-T298 HydrophobicContact CD2-CG2 4.48Å; L296-T298 HydrophobicContact CG-CG2 4.33Å; L296-L327 HydrophobicContact CB-CD1 4.48Å; L296-L785 HydrophobicContact CD1-CD1 4.22Å
297	A	70.3	Confident	65.5	Low	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.7	171.7	0	0	0	0	0	110.6	R257 F258 I259 C325 Q326 W782	R257-A297 HydrophobicContact CG-CB 4.38Å; F258-A297 CarbonylContact O-C 3.44Å; F258-A297 VanDerWaalsContact O-CA 3.28Å; F258-A297 WeakPolarHBondContact O-CA 3.03Å; I259-A297 HydrophobicContact CG1-CB 4.28Å; A297-C325 CarbonylContact O-C 3.56Å; A297-C325 WeakPolarHBondContact O-CA 3.29Å; A297-Q326 HydrophobicContact CB-CB 4.33Å; A297-Q326 PolarHBondContact N-O 3.49Å; A297-Q326 PolarHBondContact O-N 3.27Å; A297-W782 HydrophobicContact CB-CE3 4.1Å; A297-W782 HydrophobicContact CB-CH2 3.72Å; A297-W782 HydrophobicContact CB-CZ3 3.36Å
298	T	79.4	Confident	67.6	Low	1 Å²	1	50.4 Å²	50.4	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	174.9	57.9	0	0	0	0	108.2	R257 F258 Y260 L296 P319 A322 I324	R257-T298 CarbonylContact C-O 3.6Å; R257-T298 VanDerWaalsContact CA-O 3.24Å; R257-T298 WeakPolarHBondContact CA-O 3.42Å; F258-T298 PolarHBondContact N-O 3.33Å; F258-T298 PolarHBondContact O-N 2.91Å; F258-T298 PolarHBondContact O-OG1 3.23Å; Y260-T298 HydrophobicContact CE2-CG2 4.09Å; L296-T298 HydrophobicContact CD2-CG2 4.48Å; L296-T298 HydrophobicContact CG-CG2 4.33Å; T298-P319 HydrophobicContact CG2-CB 3.75Å; T298-A322 HydrophobicContact CG2-CB 4.2Å; T298-I324 CarbonylContact C-O 3.52Å
299	T	74.7	Confident	69.8	Low	2 Å²	2	47.2 Å²	47.2	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134	-168.3	-55.2	0	0	0	0	111	M106 A256 R257 P323 I324	M106-T299 HydrophobicContact CE-CG2 3.43Å; M106-T299 VanDerWaalsContact CE-CG2 3.43Å; A256-T299 CarbonylContact O-C 3.59Å; A256-T299 WeakPolarHBondContact O-CA 3.1Å; R257-T299 HydrophobicContact CB-CG2 4.34Å; R257-T299 WeakPolarHBondContact CG-OG1 3.12Å; T299-P323 WeakPolarHBondContact O-CD 3.4Å; T299-P323 VanDerWaalsContact O-CG 3.24Å; T299-P323 WeakPolarHBondContact O-CG 3.17Å; T299-I324 PolarHBondContact N-O 2.87Å; T299-I324 PolarHBondContact O-N 3.3Å
300	W	80.8	Confident	71.6	Confident	17 Å²	17	49.5 Å²	49.5	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	104.2	168	-72	-97.7	0	0	0	108.6	S255 A256 F258 L302 V303 L317 K318 G321 A322 P323	S255-W300 WeakPolarHBondContact CA-O 3.42Å; A256-W300 PolarHBondContact N-O 2.88Å; A256-W300 PolarHBondContact O-N 2.96Å; F258-W300 HydrophobicContact CD2-CE3 4.07Å; F258-W300 HydrophobicContact CD2-CH2 4.02Å; F258-W300 AromaticContact CD2-CZ3 3.35Å; F258-W300 HydrophobicContact CD2-CZ3 3.35Å; F258-W300 AromaticContact CE2-CE3 3.92Å; F258-W300 HydrophobicContact CE2-CE3 3.92Å; F258-W300 HydrophobicContact CE2-CH2 4.14Å; F258-W300 AromaticContact CE2-CZ3 3.53Å; F258-W300 HydrophobicContact CE2-CZ3 3.53Å; W300-L302 VanDerWaalsContact C-N 3.28Å; W300-L302 PolarHBondContact O-N 2.92Å; W300-V303 HydrophobicContact CB-CG2 4.39Å; W300-L317 HydrophobicContact CD2-CB 4.36Å; W300-L317 HydrophobicContact CD2-CD1 4.21Å; W300-L317 HydrophobicContact CD2-CD2 4.27Å; W300-L317 HydrophobicContact CE3-CB 4.48Å; W300-L317 HydrophobicContact CE3-CD1 4.41Å; W300-L317 HydrophobicContact CG-CD1 4.43Å; W300-L317 HydrophobicContact CG-CD2 4.32Å; W300-L317 HydrophobicContact CH2-CB 3.96Å; W300-L317 HydrophobicContact CZ2-CB 3.8Å; W300-L317 HydrophobicContact CZ2-CD2 4.43Å; W300-L317 HydrophobicContact CZ3-CB 4.34Å; W300-K318 WeakPolarHBondContact CH2-O 3.36Å; W300-K318 WeakPolarHBondContact CZ2-O 3.31Å; W300-G321 PolarHBondContact NE1-O 3.21Å; W300-A322 HydrophobicContact CD2-CB 4.38Å; W300-A322 HydrophobicContact CE3-CB 4.28Å; W300-A322 HydrophobicContact CH2-CB 3.51Å; W300-A322 VanDerWaalsContact CZ2-CA 3.45Å; W300-A322 HydrophobicContact CZ2-CB 3.61Å; W300-A322 HydrophobicContact CZ3-CB 3.81Å; W300-P323 VanDerWaalsContact CD1-CD 3.49Å; W300-P323 HydrophobicContact CG-CG 4.46Å
301	P	75.3	Confident	73.3	Confident	48 Å²	48	53.4 Å²	53.4	31%	0.312	28%	0.281	S	S	.	.	S	Bend	trans	-58.6	-40.4	176.5	-26	34.7	0	0	0	112.6	S255 I324	S255-P301 WeakPolarHBondContact CA-O 3.14Å; S255-P301 WeakPolarHBondContact CB-O 3.47Å; S255-P301 PolarHBondContact OG-O 3.47Å; P301-I324 HydrophobicContact CG-CD1 3.63Å; P301-I324 HydrophobicContact CG-CG1 4.44Å
302	L	79.6	Confident	74.5	Confident	110 Å²	110	48.9 Å²	48.9	58%	0.576	26%	0.258	S	S	*	.	S	Bend	trans	-123.6	114.9	171.1	-172	72.1	0	0	0	108.9	I254 W300	I254-L302 WeakPolarHBondContact O-CA 3.1Å; W300-L302 VanDerWaalsContact C-N 3.28Å; W300-L302 PolarHBondContact O-N 2.92Å
303	V	84.4	Confident	75.4	Confident	8 Å²	8	47.2 Å²	47.2	5%	0.048	25%	0.249	C	C	.	.			trans	-69.8	124.5	173.7	176.1	0	0	0	0	108.6	L228 I254 A256 W300 A307 I308 L317	L228-V303 HydrophobicContact CD1-CG1 3.93Å; I254-V303 HydrophobicContact CB-CB 4.17Å; I254-V303 HydrophobicContact CB-CG2 4.29Å; I254-V303 HydrophobicContact CG2-CB 4.12Å; I254-V303 HydrophobicContact CG2-CG2 3.8Å; I254-V303 WeakPolarHBondContact O-CG2 3.33Å; I254-V303 PolarHBondContact O-N 3.48Å; A256-V303 HydrophobicContact CB-CG2 3.56Å; W300-V303 HydrophobicContact CB-CG2 4.39Å; V303-A307 HydrophobicContact CG1-CB 3.86Å; V303-I308 HydrophobicContact CG1-CG1 4.27Å; V303-L317 HydrophobicContact CG1-CD1 4.26Å; V303-L317 HydrophobicContact CG2-CD1 4.37Å
304	P	81.1	Confident	76.1	Confident	40 Å²	40	48 Å²	48	26%	0.26	25%	0.25	S	C	.	.			trans	-66.9	146.1	179.4	28.8	-35.6	0	0	0	111	H306 A307 L317	P304-H306 WeakPolarHBondContact CB-CE1 3.49Å; P304-H306 VanDerWaalsContact CG-CE1 3.47Å; P304-H306 WeakPolarHBondContact CG-CE1 3.32Å; P304-H306 PolarHBondContact O-N 3.29Å; P304-H306 VanDerWaalsContact O-N 3.1Å; P304-A307 HydrophobicContact CG-CB 3.99Å; P304-A307 WeakPolarHBondContact O-CB 3.44Å; P304-A307 PolarHBondContact O-N 3.06Å; P304-L317 HydrophobicContact CG-CD2 4.28Å
305	S	77.4	Confident	76.7	Confident	102 Å²	102	51.6 Å²	51.6	71%	0.713	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-55	-34.7	-174.3	54.8	0	0	0	0	114	A307 I308	S305-A307 VanDerWaalsContact C-N 3.26Å; S305-A307 PolarHBondContact O-N 2.91Å; S305-I308 PolarHBondContact O-N 3.45Å
306	H	79.3	Confident	77.3	Confident	138 Å²	138	52.9 Å²	52.9	64%	0.639	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-69.8	-18.4	178.2	67.4	-98.4	0	0	0	114	P304 T309	P304-H306 WeakPolarHBondContact CB-CE1 3.49Å; P304-H306 VanDerWaalsContact CG-CE1 3.47Å; P304-H306 WeakPolarHBondContact CG-CE1 3.32Å; P304-H306 PolarHBondContact O-N 3.29Å; P304-H306 VanDerWaalsContact O-N 3.1Å; H306-T309 WeakPolarHBondContact O-CG2 3.42Å
307	A	82	Confident	77.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-84.8	-15.6	177.5	0	0	0	0	0	112.6	V303 P304 S305 T309 L317	V303-A307 HydrophobicContact CG1-CB 3.86Å; P304-A307 HydrophobicContact CG-CB 3.99Å; P304-A307 WeakPolarHBondContact O-CB 3.44Å; P304-A307 PolarHBondContact O-N 3.06Å; S305-A307 VanDerWaalsContact C-N 3.26Å; S305-A307 PolarHBondContact O-N 2.91Å; A307-T309 PolarHBondContact O-N 3.39Å; A307-L317 HydrophobicContact CB-CD2 3.68Å; A307-L317 HydrophobicContact CB-CG 4.01Å
308	I	81.1	Confident	77.9	Confident	45 Å²	45	58 Å²	58	23%	0.231	30%	0.297	C	S	.	.			trans	-76	90.5	175.9	-52.4	172.7	0	0	0	108.3	L228 K232 I254 V303 S305	L228-I308 HydrophobicContact CB-CG2 4.36Å; K232-I308 HydrophobicContact CD-CG2 4.22Å; I254-I308 HydrophobicContact CD1-CD1 3.78Å; I254-I308 HydrophobicContact CD1-CG1 4.22Å; V303-I308 HydrophobicContact CG1-CG1 4.27Å; S305-I308 PolarHBondContact O-N 3.45Å
309	T	81.8	Confident	77.5	Confident	42 Å²	42	59.2 Å²	59.2	26%	0.258	31%	0.305	S	S	.	.	S	Bend	trans	-129.9	171.1	-177	64.8	0	0	0	0	111.4	S229 H306 A307 K311	S229-T309 WeakPolarHBondContact CB-O 3.43Å; S229-T309 PolarHBondContact N-O 2.92Å; S229-T309 PolarHBondContact OG-O 2.85Å; H306-T309 WeakPolarHBondContact O-CG2 3.42Å; A307-T309 PolarHBondContact O-N 3.39Å; T309-K311 PolarHBondContact O-N 3.49Å; T309-K311 PolarHBondContact OG1-N 3.42Å; T309-K311 PolarHBondContact OG1-O 2.91Å
310	E	78.2	Confident	77	Confident	161 Å²	161	67.4 Å²	67.4	75%	0.752	34%	0.343	S	S	*	.	S	Bend	trans	-75.5	0.7	170.2	-67.6	177.8	-174	0	0	112.7	S229	S229-E310 WeakPolarHBondContact OG-CA 3.49Å; S229-E310 WeakPolarHBondContact OG-CG 3.26Å; S229-E310 PolarHBondContact OG-N 3.32Å; S229-E310 VanDerWaalsContact OG-N 3.15Å
311	K	79.5	Confident	76.4	Confident	139 Å²	139	69.2 Å²	69.2	60%	0.604	37%	0.366	S	S	*	.	S	Bend	trans	-95.6	153	175.1	-65.7	178.3	-178.2	173.5	0	109.9	T309 S313	T309-K311 PolarHBondContact O-N 3.49Å; T309-K311 PolarHBondContact OG1-N 3.42Å; T309-K311 PolarHBondContact OG1-O 2.91Å; K311-S313 PolarHBondContact O-N 2.87Å
312	P	75	Confident	76.3	Confident	26 Å²	26	66.9 Å²	66.9	17%	0.169	35%	0.352	C	S	.	.			trans	-55	131.9	173.9	-24	32.3	0	0	0	111.4	W314 K315	P312-W314 VanDerWaalsContact C-N 3.27Å; P312-W314 HydrophobicContact CB-CD2 4.35Å; P312-W314 HydrophobicContact CB-CG 4.42Å; P312-W314 HydrophobicContact CB-CZ2 4.13Å; P312-W314 HydrophobicContact CG-CZ2 4.45Å; P312-W314 PolarHBondContact O-N 2.97Å; P312-K315 WeakPolarHBondContact O-CB 3.34Å; P312-K315 PolarHBondContact O-N 2.85Å
313	S	71.6	Confident	75.8	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-62.1	-32.1	-165.7	-37.1	0	0	0	0	113.5	L228 K311 K315 S316 L317 Y861	L228-S313 WeakPolarHBondContact CD1-OG 3.49Å; L228-S313 VanDerWaalsContact CG-OG 3.23Å; L228-S313 WeakPolarHBondContact CG-OG 3.48Å; K311-S313 PolarHBondContact O-N 2.87Å; S313-K315 PolarHBondContact O-N 3.29Å; S313-K315 VanDerWaalsContact O-N 3.16Å; S313-S316 PolarHBondContact O-N 3Å; S313-L317 PolarHBondContact O-N 3.5Å; S313-Y861 WeakPolarHBondContact CB-OH 3.29Å; S313-Y861 PolarHBondContact OG-OH 2.84Å
314	W	69.8	Low	75.2	Confident	33 Å²	33	67.2 Å²	67.2	13%	0.125	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-62.6	-17.3	176.2	56	-97.8	0	0	0	113.9	P312 R855 P856 E859	P312-W314 VanDerWaalsContact C-N 3.27Å; P312-W314 HydrophobicContact CB-CD2 4.35Å; P312-W314 HydrophobicContact CB-CG 4.42Å; P312-W314 HydrophobicContact CB-CZ2 4.13Å; P312-W314 HydrophobicContact CG-CZ2 4.45Å; P312-W314 PolarHBondContact O-N 2.97Å; W314-R855 HydrophobicContact CH2-CG 4.44Å; W314-R855 HydrophobicContact CZ2-CG 4.17Å; W314-P856 HydrophobicContact CB-CG 4.25Å; W314-E859 PolarHBondContact NE1-OE1 3.35Å
315	K	74.8	Confident	74.4	Confident	119 Å²	119	66 Å²	66	52%	0.517	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-73.8	-30.6	172.2	-67.6	-174.5	179.3	177.8	0	112.4	P312 S313	P312-K315 WeakPolarHBondContact O-CB 3.34Å; P312-K315 PolarHBondContact O-N 2.85Å; S313-K315 PolarHBondContact O-N 3.29Å; S313-K315 VanDerWaalsContact O-N 3.16Å
316	S	76.4	Confident	73.7	Confident	49 Å²	49	63 Å²	63	34%	0.343	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-39.6	179.8	-58.8	0	0	0	0	111.4	S313	S313-S316 PolarHBondContact O-N 3Å
317	L	79.2	Confident	72.6	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	-99	93.2	-177.8	-61.4	177.8	0	0	0	109.9	A256 F258 W300 V303 P304 A307 S313	A256-L317 HydrophobicContact CB-CD1 4.24Å; F258-L317 HydrophobicContact CE2-CB 3.65Å; F258-L317 HydrophobicContact CE2-CD1 3.89Å; F258-L317 HydrophobicContact CE2-CG 4.42Å; F258-L317 HydrophobicContact CZ-CB 4.28Å; F258-L317 HydrophobicContact CZ-CD1 3.97Å; W300-L317 HydrophobicContact CD2-CB 4.36Å; W300-L317 HydrophobicContact CD2-CD1 4.21Å; W300-L317 HydrophobicContact CD2-CD2 4.27Å; W300-L317 HydrophobicContact CE3-CB 4.48Å; W300-L317 HydrophobicContact CE3-CD1 4.41Å; W300-L317 HydrophobicContact CG-CD1 4.43Å; W300-L317 HydrophobicContact CG-CD2 4.32Å; W300-L317 HydrophobicContact CH2-CB 3.96Å; W300-L317 HydrophobicContact CZ2-CB 3.8Å; W300-L317 HydrophobicContact CZ2-CD2 4.43Å; W300-L317 HydrophobicContact CZ3-CB 4.34Å; V303-L317 HydrophobicContact CG1-CD1 4.26Å; V303-L317 HydrophobicContact CG2-CD1 4.37Å; P304-L317 HydrophobicContact CG-CD2 4.28Å; A307-L317 HydrophobicContact CB-CD2 3.68Å; A307-L317 HydrophobicContact CB-CG 4.01Å; S313-L317 PolarHBondContact O-N 3.5Å
318	K	75.4	Confident	71.6	Confident	133 Å²	133	59.1 Å²	59.1	58%	0.578	31%	0.307	S	S	*	.			trans	-78	141.3	176.7	-66.7	-175.9	-180	179.3	0	110.7	W300 E320 G321	W300-K318 WeakPolarHBondContact CH2-O 3.36Å; W300-K318 WeakPolarHBondContact CZ2-O 3.31Å; K318-E320 PolarHBondContact O-N 3.19Å; K318-E320 VanDerWaalsContact O-N 3.09Å; K318-G321 PolarHBondContact O-N 2.88Å
319	P	69.4	Low	70.4	Confident	26 Å²	26	57.8 Å²	57.8	17%	0.169	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-56.2	-31.7	-179.7	22.1	-33.2	0	0	0	113.3	Y260 T298 G321 A322	Y260-P319 HydrophobicContact CE2-CB 4.04Å; T298-P319 HydrophobicContact CG2-CB 3.75Å; P319-G321 VanDerWaalsContact C-N 3.25Å; P319-G321 PolarHBondContact O-N 3.31Å; P319-A322 WeakPolarHBondContact O-CB 3.39Å; P319-A322 PolarHBondContact O-N 3.07Å
320	E	65.3	Low	68.9	Low	174 Å²	174	57.4 Å²	57.4	81%	0.813	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-63.1	-26.4	176.9	-63	169.6	-172.8	0	0	114.1	K318	K318-E320 PolarHBondContact O-N 3.19Å; K318-E320 VanDerWaalsContact O-N 3.09Å
321	G	68.7	Low	67.6	Low	54 Å²	54	50.8 Å²	50.8	56%	0.557	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-99.4	10.6	-179.6	0	0	0	0	0	113.5	W300 K318 P319	W300-G321 PolarHBondContact NE1-O 3.21Å; K318-G321 PolarHBondContact O-N 2.88Å; P319-G321 VanDerWaalsContact C-N 3.25Å; P319-G321 PolarHBondContact O-N 3.31Å
322	A	71.7	Confident	66.1	Low	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.			trans	-73.8	127.9	-178.8	0	0	0	0	0	110.4	T298 W300 P319 I324 N787	T298-A322 HydrophobicContact CG2-CB 4.2Å; W300-A322 HydrophobicContact CD2-CB 4.38Å; W300-A322 HydrophobicContact CE3-CB 4.28Å; W300-A322 HydrophobicContact CH2-CB 3.51Å; W300-A322 VanDerWaalsContact CZ2-CA 3.45Å; W300-A322 HydrophobicContact CZ2-CB 3.61Å; W300-A322 HydrophobicContact CZ3-CB 3.81Å; P319-A322 WeakPolarHBondContact O-CB 3.39Å; P319-A322 PolarHBondContact O-N 3.07Å; A322-I324 PolarHBondContact O-N 3.44Å; A322-N787 PolarHBondContact O-ND2 2.91Å
323	P	70.5	Confident	64.7	Low	69 Å²	69	51.4 Å²	51.4	45%	0.448	29%	0.287	S	S	.	.	S	Bend	trans	-65.4	-27.8	179.2	24.7	-33.5	0	0	0	112.5	T299 W300 N787	T299-P323 WeakPolarHBondContact O-CD 3.4Å; T299-P323 VanDerWaalsContact O-CG 3.24Å; T299-P323 WeakPolarHBondContact O-CG 3.17Å; W300-P323 VanDerWaalsContact CD1-CD 3.49Å; W300-P323 HydrophobicContact CG-CG 4.46Å; P323-N787 PolarHBondContact O-ND2 3.03Å
324	I	71.1	Confident	63.3	Low	56 Å²	56	56.5 Å²	56.5	29%	0.287	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	122.5	178.7	-56.2	172.5	0	0	0	109	T298 T299 P301 A322 Q326	T298-I324 CarbonylContact C-O 3.52Å; T299-I324 PolarHBondContact N-O 2.87Å; T299-I324 PolarHBondContact O-N 3.3Å; P301-I324 HydrophobicContact CG-CD1 3.63Å; P301-I324 HydrophobicContact CG-CG1 4.44Å; A322-I324 PolarHBondContact O-N 3.44Å; I324-Q326 HydrophobicContact CG2-CG 4.15Å
325	C	64.2	Low	61.9	Low	15 Å²	15	57.8 Å²	57.8	10%	0.101	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.1	172.7	-78.7	0	0	0	0	109.6	A297 S784 L785	A297-C325 CarbonylContact O-C 3.56Å; A297-C325 WeakPolarHBondContact O-CA 3.29Å; C325-S784 WeakPolarHBondContact O-CA 3.43Å; C325-L785 HydrophobicContact CB-CB 3.85Å; C325-L785 HydrophobicContact CB-CD1 4.01Å; C325-L785 HydrophobicContact CB-CG 4.5Å; C325-L785 PolarHBondContact O-N 3.05Å
326	Q	62.1	Low	60.3	Low	38 Å²	38	52.6 Å²	52.6	18%	0.178	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.6	179.8	-65.1	-178.9	-25.9	0	0	111.1	R257 A297 I324 W782 I783	R257-Q326 VanDerWaalsContact CZ-OE1 3.31Å; A297-Q326 HydrophobicContact CB-CB 4.33Å; A297-Q326 PolarHBondContact N-O 3.49Å; A297-Q326 PolarHBondContact O-N 3.27Å; I324-Q326 HydrophobicContact CG2-CG 4.15Å; Q326-W782 HydrophobicContact CB-CB 4.24Å; Q326-W782 HydrophobicContact CB-CD2 4.26Å; Q326-W782 HydrophobicContact CB-CE3 3.55Å; Q326-W782 HydrophobicContact CB-CZ3 4.32Å; Q326-I783 CarbonylContact C-O 3.56Å; Q326-I783 WeakPolarHBondContact CA-O 3.41Å
327	L	58.2	Low	58.6	Low	28 Å²	28	56 Å²	56	15%	0.147	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	175.3	-171.2	74.7	0	0	0	110.9	L262 F294 L296 F347 W782 I783	L262-L327 HydrophobicContact CD1-CD1 4.45Å; F294-L327 HydrophobicContact CD1-CD2 4.5Å; L296-L327 HydrophobicContact CB-CD1 4.48Å; L327-F347 HydrophobicContact CD2-CE2 4.44Å; L327-F347 HydrophobicContact CD2-CZ 4.38Å; L327-W782 CarbonylContact O-C 3.55Å; L327-W782 WeakPolarHBondContact O-CA 3.4Å; L327-I783 HydrophobicContact CB-CB 4.49Å; L327-I783 PolarHBondContact N-O 2.94Å; L327-I783 PolarHBondContact O-N 3.37Å
328	Q	59.1	Low	56.9	Low	29 Å²	29	60.6 Å²	60.6	14%	0.136	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.6	173.8	173.3	-178.5	59.1	0	0	110.9	F109 F294 N295 C330 W782	F109-Q328 PolarHBondContact O-NE2 3.36Å; F294-Q328 WeakPolarHBondContact CA-O 3.43Å; N295-Q328 HydrophobicContact CB-CB 4.29Å; N295-Q328 PolarHBondContact N-O 2.94Å; N295-Q328 PolarHBondContact ND2-OE1 3.2Å; N295-Q328 PolarHBondContact O-N 3.07Å; Q328-C330 PolarHBondContact OE1-SG 2.9Å; Q328-W782 HydrophobicContact CB-CD2 3.52Å; Q328-W782 HydrophobicContact CB-CE3 3.4Å; Q328-W782 VanDerWaalsContact CB-CE3 3.4Å; Q328-W782 HydrophobicContact CB-CG 4.3Å; Q328-W782 HydrophobicContact CB-CH2 3.52Å; Q328-W782 HydrophobicContact CB-CZ2 3.62Å; Q328-W782 HydrophobicContact CB-CZ3 3.39Å; Q328-W782 VanDerWaalsContact CD-CE2 3.46Å; Q328-W782 HydrophobicContact CG-CD2 4.35Å; Q328-W782 HydrophobicContact CG-CH2 4.36Å; Q328-W782 HydrophobicContact CG-CZ2 4.06Å
329	L	55.9	Low	55.2	Low	16 Å²	16	55.3 Å²	55.3	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.5	166.1	-178.2	75.2	0	0	0	109.4	L292 F294 M339 I343	L292-L329 HydrophobicContact CB-CD1 4.5Å; L292-L329 HydrophobicContact CD2-CD1 4.2Å; L292-L329 HydrophobicContact CD2-CD2 4.27Å; L292-L329 HydrophobicContact CD2-CG 4.47Å; F294-L329 HydrophobicContact CD1-CD1 3.81Å; F294-L329 HydrophobicContact CD2-CD1 4.16Å; F294-L329 HydrophobicContact CE1-CD1 3.52Å; F294-L329 HydrophobicContact CE2-CD1 3.88Å; F294-L329 HydrophobicContact CG-CD1 4.13Å; F294-L329 HydrophobicContact CZ-CD1 3.55Å; L329-M339 HydrophobicContact CD2-CB 4.04Å; L329-M339 HydrophobicContact CD2-CE 4.36Å; L329-M339 HydrophobicContact CD2-CG 3.63Å; L329-M339 HydrophobicContact CD2-SD 4.03Å; L329-I343 HydrophobicContact CB-CD1 4.31Å; L329-I343 HydrophobicContact CD2-CD1 3.65Å; L329-I343 HydrophobicContact CG-CD1 4.41Å
330	C	51.4	Low	54	Low	35 Å²	35	54.7 Å²	54.7	24%	0.236	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121	171.7	-64.8	0	0	0	0	109.7	S293 N295 Q328	S293-C330 PolarHBondContact N-O 3.46Å; S293-C330 PolarHBondContact O-N 3.27Å; S293-C330 VanDerWaalsContact O-O 3.14Å; S293-C330 WeakPolarHBondContact OG-CB 3.32Å; S293-C330 PolarHBondContact OG-O 2.78Å; S293-C330 VanDerWaalsContact OG-O 3.12Å; N295-C330 PolarHBondContact ND2-SG 2.82Å; Q328-C330 PolarHBondContact OE1-SG 2.9Å
331	A	50.4	Low	53	Low	22 Å²	22	49.2 Å²	49.2	18%	0.182	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	151.6	167.5	0	0	0	0	0	109.8	L292 N333 A336	L292-A331 HydrophobicContact CD2-CB 3.62Å; A331-N333 PolarHBondContact O-N 3.45Å; A331-A336 HydrophobicContact CB-CB 3.65Å
332	S	47.6	Very low	51.8	Low	96 Å²	96	51.5 Å²	51.5	67%	0.671	29%	0.285	S	S	*	.	S	Bend	trans	-72.6	-2.7	175	56.6	0	0	0	0	114.1
333	N	46.7	Very low	50.5	Low	81 Å²	81	53 Å²	53	43%	0.433	29%	0.292	S	S	.	.	S	Bend	trans	-117.3	143.4	-174.6	-174	-36.5	0	0	0	108.8	A331 F335 A336	A331-N333 PolarHBondContact O-N 3.45Å; N333-F335 HydrophobicContact CB-CB 4.39Å; N333-F335 PolarHBondContact O-N 2.9Å; N333-F335 PolarHBondContact OD1-N 3.15Å; N333-A336 PolarHBondContact O-N 3.07Å
334	P	42.4	Very low	49.2	Very low	108 Å²	108	50.8 Å²	50.8	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-14.4	172.3	18.1	-33.7	0	0	0	115.2	A336 D337	P334-A336 PolarHBondContact O-N 3.32Å; P334-A336 VanDerWaalsContact O-N 3.16Å; P334-D337 PolarHBondContact O-N 3.14Å
335	F	39.8	Very low	47.9	Very low	59 Å²	59	53 Å²	53	26%	0.259	28%	0.281	S	S	.	.	H	α-helix	trans	-55.1	-22.6	166.7	-158.6	-96.5	0	0	0	114.5	M290 N333 D337 K338 M339	M290-F335 HydrophobicContact CE-CD1 4.11Å; M290-F335 HydrophobicContact CE-CE1 4.48Å; M290-F335 HydrophobicContact CE-CG 4.27Å; M290-F335 HydrophobicContact SD-CD1 4.39Å; N333-F335 HydrophobicContact CB-CB 4.39Å; N333-F335 PolarHBondContact O-N 2.9Å; N333-F335 PolarHBondContact OD1-N 3.15Å; F335-D337 VanDerWaalsContact C-N 3.35Å; F335-D337 PolarHBondContact O-N 3.23Å; F335-K338 PolarHBondContact O-N 2.95Å; F335-M339 HydrophobicContact CD1-CB 4.17Å; F335-M339 HydrophobicContact CD1-SD 4.31Å; F335-M339 HydrophobicContact CE1-CB 4.21Å; F335-M339 HydrophobicContact CE1-SD 3.98Å; F335-M339 WeakPolarHBondContact O-CB 3.4Å; F335-M339 PolarHBondContact O-N 2.95Å
336	A	41	Very low	46.7	Very low	11 Å²	11	56.6 Å²	56.6	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-56.8	-43.7	179.4	0	0	0	0	0	113	A331 N333 P334 M339 S340	A331-A336 HydrophobicContact CB-CB 3.65Å; N333-A336 PolarHBondContact O-N 3.07Å; P334-A336 PolarHBondContact O-N 3.32Å; P334-A336 VanDerWaalsContact O-N 3.16Å; A336-M339 PolarHBondContact O-N 3.02Å; A336-S340 WeakPolarHBondContact O-CB 3.18Å; A336-S340 PolarHBondContact O-N 3.34Å
337	D	40.1	Very low	45.5	Very low	119 Å²	119	58.2 Å²	58.2	64%	0.636	30%	0.302	S	S	*	.	H	α-helix	trans	-66.9	-45.7	-176.6	-65.5	-24.4	0	0	0	110.1	P334 F335 M339 S340 V341	P334-D337 PolarHBondContact O-N 3.14Å; F335-D337 VanDerWaalsContact C-N 3.35Å; F335-D337 PolarHBondContact O-N 3.23Å; D337-M339 VanDerWaalsContact C-N 3.33Å; D337-M339 PolarHBondContact O-N 2.97Å; D337-S340 PolarHBondContact O-N 3.03Å; D337-S340 PolarHBondContact O-OG 3.02Å; D337-V341 WeakPolarHBondContact O-CG2 3.47Å; D337-V341 PolarHBondContact O-N 2.94Å; D337-V341 VanDerWaalsContact O-N 3.16Å
338	K	43.3	Very low	44.5	Very low	104 Å²	104	59.4 Å²	59.4	45%	0.452	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-39.7	174.5	-69.6	-176.5	176.2	-178.1	0	112.3	F335 R342 L739	F335-K338 PolarHBondContact O-N 2.95Å; K338-R342 PolarHBondContact O-N 3.31Å; K338-L739 PolarHBondContact NZ-O 3.32Å
339	M	41.3	Very low	43.4	Very low	21 Å²	21	60.3 Å²	60.3	10%	0.103	32%	0.315	C	S	.	.	H	α-helix	trans	-74.3	-32.6	178.9	-168.8	154.1	177.7	0	0	112.7	L284 L329 F335 A336 D337 R342 I343	L284-M339 HydrophobicContact CD1-CE 3.47Å; L284-M339 VanDerWaalsContact CD1-CE 3.47Å; L284-M339 HydrophobicContact CD2-CE 3.67Å; L284-M339 HydrophobicContact CD2-SD 3.86Å; L284-M339 HydrophobicContact CG-CE 4.23Å; L329-M339 HydrophobicContact CD2-CB 4.04Å; L329-M339 HydrophobicContact CD2-CE 4.36Å; L329-M339 HydrophobicContact CD2-CG 3.63Å; L329-M339 HydrophobicContact CD2-SD 4.03Å; F335-M339 HydrophobicContact CD1-CB 4.17Å; F335-M339 HydrophobicContact CD1-SD 4.31Å; F335-M339 HydrophobicContact CE1-CB 4.21Å; F335-M339 HydrophobicContact CE1-SD 3.98Å; F335-M339 WeakPolarHBondContact O-CB 3.4Å; F335-M339 PolarHBondContact O-N 2.95Å; A336-M339 PolarHBondContact O-N 3.02Å; D337-M339 VanDerWaalsContact C-N 3.33Å; D337-M339 PolarHBondContact O-N 2.97Å; M339-R342 WeakPolarHBondContact O-CB 3.42Å; M339-R342 PolarHBondContact O-N 3.47Å; M339-R342 VanDerWaalsContact O-N 3.14Å; M339-I343 HydrophobicContact CE-CD1 4.24Å; M339-I343 HydrophobicContact CG-CD1 4.21Å; M339-I343 HydrophobicContact CG-CG1 4.33Å; M339-I343 WeakPolarHBondContact O-CG1 3.32Å; M339-I343 PolarHBondContact O-N 2.88Å
340	S	43.2	Very low	42.2	Very low	13 Å²	13	62.9 Å²	62.9	9%	0.091	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-46.4	173.9	76.5	0	0	0	0	110.9	A336 D337 R342 I343 Q344	A336-S340 WeakPolarHBondContact O-CB 3.18Å; A336-S340 PolarHBondContact O-N 3.34Å; D337-S340 PolarHBondContact O-N 3.03Å; D337-S340 PolarHBondContact O-OG 3.02Å; S340-R342 PolarHBondContact O-N 3.26Å; S340-I343 PolarHBondContact O-N 3.41Å; S340-Q344 VanDerWaalsContact O-CB 3.3Å; S340-Q344 WeakPolarHBondContact O-CB 3.39Å; S340-Q344 WeakPolarHBondContact O-CG 3.24Å; S340-Q344 PolarHBondContact O-N 3.23Å; S340-Q344 PolarHBondContact O-OE1 3.39Å
341	V	45.4	Very low	41.5	Very low	59 Å²	59	64.6 Å²	64.6	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-57.4	-39.3	172.8	174.7	0	0	0	0	110.7	D337 R345	D337-V341 WeakPolarHBondContact O-CG2 3.47Å; D337-V341 PolarHBondContact O-N 2.94Å; D337-V341 VanDerWaalsContact O-N 3.16Å; V341-R345 WeakPolarHBondContact O-CB 3.5Å; V341-R345 VanDerWaalsContact O-CG 3.27Å; V341-R345 WeakPolarHBondContact O-CG 3.17Å; V341-R345 PolarHBondContact O-N 3.28Å
342	R	43.2	Very low	40.6	Very low	103 Å²	103	67.4 Å²	67.4	39%	0.389	35%	0.354	S	S	.	.	H	α-helix	trans	-70.9	-43.5	-179.1	-156	176.7	-171.4	94.2	9.2	113.1	K338 M339 S340 Q344 R345 F346 N736	K338-R342 PolarHBondContact O-N 3.31Å; M339-R342 WeakPolarHBondContact O-CB 3.42Å; M339-R342 PolarHBondContact O-N 3.47Å; M339-R342 VanDerWaalsContact O-N 3.14Å; S340-R342 PolarHBondContact O-N 3.26Å; R342-Q344 VanDerWaalsContact C-N 3.35Å; R342-R345 PolarHBondContact O-N 3.45Å; R342-F346 WeakPolarHBondContact O-CB 3.14Å; R342-F346 PolarHBondContact O-N 3.08Å; R342-N736 PolarHBondContact NH1-OD1 3.49Å; R342-N736 VanDerWaalsContact NH2-CG 3.31Å; R342-N736 PolarHBondContact NH2-OD1 2.78Å
343	I	44.2	Very low	39.6	Very low	31 Å²	31	65.4 Å²	65.4	16%	0.159	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-39.3	175.4	-66.4	177.8	0	0	0	109.7	L329 M339 S340 R345 F346 F347 I783	L329-I343 HydrophobicContact CB-CD1 4.31Å; L329-I343 HydrophobicContact CD2-CD1 3.65Å; L329-I343 HydrophobicContact CG-CD1 4.41Å; M339-I343 HydrophobicContact CE-CD1 4.24Å; M339-I343 HydrophobicContact CG-CD1 4.21Å; M339-I343 HydrophobicContact CG-CG1 4.33Å; M339-I343 WeakPolarHBondContact O-CG1 3.32Å; M339-I343 PolarHBondContact O-N 2.88Å; S340-I343 PolarHBondContact O-N 3.41Å; I343-R345 PolarHBondContact O-N 3.35Å; I343-F346 WeakPolarHBondContact O-CB 3.29Å; I343-F346 PolarHBondContact O-N 3.32Å; I343-F347 HydrophobicContact CG2-CD2 3.47Å; I343-F347 VanDerWaalsContact CG2-CD2 3.47Å; I343-F347 HydrophobicContact CG2-CE2 3.5Å; I343-F347 VanDerWaalsContact CG2-CE2 3.5Å; I343-F347 WeakPolarHBondContact O-CD2 3.44Å; I343-F347 PolarHBondContact O-N 2.81Å; I343-I783 HydrophobicContact CB-CD1 4.3Å; I343-I783 HydrophobicContact CG2-CD1 3.49Å; I343-I783 VanDerWaalsContact CG2-CD1 3.49Å
344	Q	43.2	Very low	38.7	Very low	23 Å²	23	66.7 Å²	66.7	11%	0.107	34%	0.343	C	S	.	.	H	α-helix	trans	-58.4	-47.4	172.9	-78.3	168.8	-26.3	0	0	112.1	S340 R342 F346 F347 K348 L779 G780 G781 W782 I783	S340-Q344 VanDerWaalsContact O-CB 3.3Å; S340-Q344 WeakPolarHBondContact O-CB 3.39Å; S340-Q344 WeakPolarHBondContact O-CG 3.24Å; S340-Q344 PolarHBondContact O-N 3.23Å; S340-Q344 PolarHBondContact O-OE1 3.39Å; R342-Q344 VanDerWaalsContact C-N 3.35Å; Q344-F346 VanDerWaalsContact C-N 3.33Å; Q344-F346 PolarHBondContact O-N 3.05Å; Q344-F347 PolarHBondContact O-N 2.78Å; Q344-K348 VanDerWaalsContact O-CB 3.22Å; Q344-K348 WeakPolarHBondContact O-CB 3.24Å; Q344-K348 PolarHBondContact O-N 3.21Å; Q344-L779 PolarHBondContact NE2-O 2.77Å; Q344-L779 PolarHBondContact OE1-O 2.92Å; Q344-G780 PolarHBondContact NE2-O 2.76Å; Q344-G781 VanDerWaalsContact NE2-N 3.19Å; Q344-W782 PolarHBondContact NE2-O 2.89Å; Q344-I783 HydrophobicContact CB-CG1 4.5Å; Q344-I783 HydrophobicContact CG-CD1 3.95Å; Q344-I783 HydrophobicContact CG-CG1 3.53Å
345	R	42.5	Very low	38	Very low	103 Å²	103	70.2 Å²	70.2	39%	0.389	35%	0.35	S	S	.	.	H	α-helix	trans	-59.2	-44.9	174	-73.8	177	-168.6	-172.8	2.2	111.2	V341 R342 I343 K348 S349 E732	V341-R345 WeakPolarHBondContact O-CB 3.5Å; V341-R345 VanDerWaalsContact O-CG 3.27Å; V341-R345 WeakPolarHBondContact O-CG 3.17Å; V341-R345 PolarHBondContact O-N 3.28Å; R342-R345 PolarHBondContact O-N 3.45Å; I343-R345 PolarHBondContact O-N 3.35Å; R345-K348 WeakPolarHBondContact O-CB 3.46Å; R345-K348 PolarHBondContact O-N 3.31Å; R345-S349 PolarHBondContact O-N 3.4Å; R345-S349 PolarHBondContact O-OG 3.3Å; R345-S349 VanDerWaalsContact O-OG 3.12Å; R345-E732 IonicContact NH1-OE2 3.72Å
346	F	39.1	Very low	37.6	Very low	89 Å²	89	72.2 Å²	72.2	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-47.6	177.6	-177.4	-99.3	0	0	0	113	F280 R342 I343 Q344 K348 S349 C350	F280-F346 HydrophobicContact CZ-CZ 4.42Å; R342-F346 WeakPolarHBondContact O-CB 3.14Å; R342-F346 PolarHBondContact O-N 3.08Å; I343-F346 WeakPolarHBondContact O-CB 3.29Å; I343-F346 PolarHBondContact O-N 3.32Å; Q344-F346 VanDerWaalsContact C-N 3.33Å; Q344-F346 PolarHBondContact O-N 3.05Å; F346-K348 VanDerWaalsContact C-N 3.29Å; F346-K348 PolarHBondContact O-N 2.68Å; F346-S349 WeakPolarHBondContact O-CB 3.5Å; F346-S349 PolarHBondContact O-N 3.37Å; F346-C350 PolarHBondContact O-N 3.46Å; F346-C350 PolarHBondContact O-SG 3.31Å
347	F	37.4	Very low	36.8	Very low	73 Å²	73	76.7 Å²	76.7	32%	0.32	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-32.4	175.1	-87.4	-82.5	0	0	0	112.4	L327 I343 Q344 S349 C350 S351 I783	L327-F347 HydrophobicContact CD2-CE2 4.44Å; L327-F347 HydrophobicContact CD2-CZ 4.38Å; I343-F347 HydrophobicContact CG2-CD2 3.47Å; I343-F347 VanDerWaalsContact CG2-CD2 3.47Å; I343-F347 HydrophobicContact CG2-CE2 3.5Å; I343-F347 VanDerWaalsContact CG2-CE2 3.5Å; I343-F347 WeakPolarHBondContact O-CD2 3.44Å; I343-F347 PolarHBondContact O-N 2.81Å; Q344-F347 PolarHBondContact O-N 2.78Å; F347-S349 VanDerWaalsContact C-N 3.3Å; F347-C350 CarbonylContact O-C 3.6Å; F347-C350 PolarHBondContact O-N 2.92Å; F347-C350 VanDerWaalsContact O-N 3.14Å; F347-S351 WeakPolarHBondContact O-CB 3.5Å; F347-S351 PolarHBondContact O-N 3.37Å; F347-S351 PolarHBondContact O-OG 2.81Å; F347-I783 HydrophobicContact CB-CD1 4.41Å; F347-I783 HydrophobicContact CB-CG2 4Å; F347-I783 HydrophobicContact CD1-CG2 4.45Å; F347-I783 HydrophobicContact CD2-CD1 3.53Å; F347-I783 HydrophobicContact CD2-CG2 4.37Å; F347-I783 HydrophobicContact CE2-CD1 4.03Å; F347-I783 HydrophobicContact CG-CD1 4.2Å; F347-I783 HydrophobicContact CG-CG2 4.04Å
348	K	37.7	Very low	36	Very low	53 Å²	53	79.3 Å²	79.3	23%	0.23	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-33.9	174.2	-160	166.4	-172.2	169.6	0	111.6	Q344 R345 F346 S351 S776	Q344-K348 VanDerWaalsContact O-CB 3.22Å; Q344-K348 WeakPolarHBondContact O-CB 3.24Å; Q344-K348 PolarHBondContact O-N 3.21Å; R345-K348 WeakPolarHBondContact O-CB 3.46Å; R345-K348 PolarHBondContact O-N 3.31Å; F346-K348 VanDerWaalsContact C-N 3.29Å; F346-K348 PolarHBondContact O-N 2.68Å; K348-S351 WeakPolarHBondContact CA-OG 3.04Å; K348-S351 PolarHBondContact O-OG 2.83Å; K348-S776 WeakPolarHBondContact CD-O 3.41Å; K348-S776 WeakPolarHBondContact CE-O 3.49Å; K348-S776 WeakPolarHBondContact CE-OG 3.39Å; K348-S776 VanDerWaalsContact NZ-C 3.34Å; K348-S776 PolarHBondContact NZ-O 3.5Å; K348-S776 PolarHBondContact NZ-OG 2.7Å
349	S	35.1	Very low	35.1	Very low	47 Å²	47	83.2 Å²	83.2	33%	0.329	42%	0.422	S	S	.	.	H	α-helix	trans	-68.5	-36.3	167.8	-55.7	0	0	0	0	112.2	R345 F346 F347	R345-S349 PolarHBondContact O-N 3.4Å; R345-S349 PolarHBondContact O-OG 3.3Å; R345-S349 VanDerWaalsContact O-OG 3.12Å; F346-S349 WeakPolarHBondContact O-CB 3.5Å; F346-S349 PolarHBondContact O-N 3.37Å; F347-S349 VanDerWaalsContact C-N 3.3Å
350	C	31.4	Very low	34	Very low	70 Å²	70	90.8 Å²	90.8	47%	0.473	46%	0.46	S	S	.	.	H	α-helix	trans	-78.4	-22.1	179.5	-62.8	0	0	0	0	115.1	F346 F347	F346-C350 PolarHBondContact O-N 3.46Å; F346-C350 PolarHBondContact O-SG 3.31Å; F347-C350 CarbonylContact O-C 3.6Å; F347-C350 PolarHBondContact O-N 2.92Å; F347-C350 VanDerWaalsContact O-N 3.14Å
351	S	36.3	Very low	33	Very low	71 Å²	71	96.1 Å²	96.1	50%	0.497	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	0.2	-174.3	46.2	0	0	0	0	114.4	F347 K348 C353	F347-S351 WeakPolarHBondContact O-CB 3.5Å; F347-S351 PolarHBondContact O-N 3.37Å; F347-S351 PolarHBondContact O-OG 2.81Å; K348-S351 WeakPolarHBondContact CA-OG 3.04Å; K348-S351 PolarHBondContact O-OG 2.83Å; S351-C353 PolarHBondContact O-N 3.43Å
352	K	31.6	Very low	32	Very low	82 Å²	82	100.7 Å²	100.7	36%	0.357	51%	0.514	S	S	.	.			trans	-97.8	50	178.5	-72.1	-169	169.5	-168.4	0	112.7	S774	K352-S774 WeakPolarHBondContact CE-O 3.05Å; K352-S774 PolarHBondContact NZ-O 3.14Å; K352-S774 PolarHBondContact NZ-OG 3.48Å
353	C	26.8	Very low	31.1	Very low	53 Å²	53	104.1 Å²	104.1	36%	0.358	54%	0.539	S	S	.	.			trans	-136.8	66.4	171.9	-156.5	0	0	0	0	113.6	S351 Q771	S351-C353 PolarHBondContact O-N 3.43Å; C353-Q771 PolarHBondContact SG-NE2 2.99Å
354	E	27.2	Very low	30.2	Very low	108 Å²	108	107.7 Å²	107.7	51%	0.505	57%	0.567	S	S	.	*			trans	-134.4	131	158.4	-106	-176.9	175.2	0	0	111	E807	E354-E807 VanDerWaalsContact CD-OE2 3.29Å; E354-E807 VanDerWaalsContact CG-CD 3.44Å; E354-E807 HydrophobicContact CG-CG 3.87Å; E354-E807 WeakPolarHBondContact CG-OE1 3.13Å; E354-E807 WeakPolarHBondContact OE1-CB 3.39Å; E354-E807 VanDerWaalsContact OE1-CD 3.32Å
355	Q	27.7	Very low	29.4	Very low	183 Å²	183	111.3 Å²	111.3	86%	0.855	59%	0.594	S	S	*	*			trans	-96.4	-157	178	-61.5	-166.8	-18.2	0	0	111.3
356	P	31.6	Very low	28.7	Very low	101 Å²	101	113.5 Å²	113.5	66%	0.656	61%	0.614	S	S	*	*				-129.3	172.3	-102.5	42.8	-22.4	0	0	0	115
357	V	24.1	Very low	28.2	Very low	105 Å²	105	116.5 Å²	116.5	64%	0.636	63%	0.634	S	S	*	*			trans	58.5	119.3	153.6	-135.5	0	0	0	0	121
358	H	23.7	Very low	27.8	Very low	174 Å²	174	119.1 Å²	119.1	81%	0.806	66%	0.658	S	S	*	*				165.5	149.6	100.7	-89.8	-66.8	0	0	0	114
359	Q	24.3	Very low	27.2	Very low	185 Å²	185	118.8 Å²	118.8	86%	0.864	66%	0.663	S	S	*	*			trans	82.9	95.2	180	-57.1	179.1	-5.9	0	0	112.7
360	M	19	Very low	26.9	Very low	180 Å²	180	121.1 Å²	121.1	89%	0.887	68%	0.679	S	S	*	*			cis	52.3	120.1	42.6	-113.5	-172.9	168.4	0	0	113.4
361	T	22.2	Very low	26.7	Very low	126 Å²	126	121.9 Å²	121.9	77%	0.773	68%	0.681	S	S	*	*			trans	79.1	105.5	-172.6	72.8	0	0	0	0	113
362	D	23.9	Very low	26.6	Very low	154 Å²	154	119.3 Å²	119.3	82%	0.824	66%	0.662	S	S	*	*				-142.4	139.8	50.5	-76.6	-40.1	0	0	0	114.6	S364	D362-S364 PolarHBondContact O-N 3.42Å
363	I	24.3	Very low	26.9	Very low	175 Å²	175	118.5 Å²	118.5	90%	0.897	67%	0.667	S	S	*	*			trans	-71.2	106.8	169.7	-63.1	160.2	0	0	0	107.6
364	S	24.3	Very low	27.4	Very low	107 Å²	107	120 Å²	120	75%	0.748	68%	0.677	S	S	*	*			trans	-142.9	98.2	151.7	67.1	0	0	0	0	108.9	D362 N366	D362-S364 PolarHBondContact O-N 3.42Å; S364-N366 PolarHBondContact O-N 2.83Å
365	S	27	Very low	28	Very low	98 Å²	98	120.2 Å²	120.2	69%	0.685	68%	0.682	S	S	*	*			trans	-37.1	128.7	158.6	50.6	0	0	0	0	111.2
366	N	27.8	Very low	28.9	Very low	150 Å²	150	113 Å²	113	80%	0.802	65%	0.652	S	S	*	*			trans	162.5	75.1	139.3	-79.5	-7.7	0	0	0	109.2	S364	S364-N366 PolarHBondContact O-N 2.83Å
367	N	28	Very low	29.4	Very low	152 Å²	152	108.6 Å²	108.6	81%	0.813	62%	0.623	S	S	*	*			trans	-127	124.9	147.1	-87.2	-19	0	0	0	105.1	S369	N367-S369 VanDerWaalsContact C-N 3.3Å; N367-S369 PolarHBondContact O-N 3.3Å
368	P	28.9	Very low	30.3	Very low	128 Å²	128	106.9 Å²	106.9	83%	0.831	61%	0.613	S	S	*	*			trans	-70.2	101.6	171.5	29.9	-26.8	0	0	0	104.9	S370	P368-S370 PolarHBondContact O-N 2.99Å
369	S	25.9	Very low	31.3	Very low	46 Å²	46	104 Å²	104	32%	0.322	60%	0.6	S	S	.	*			trans	-44.9	135.2	156.3	36.2	0	0	0	0	106.5	N367 V371	N367-S369 VanDerWaalsContact C-N 3.3Å; N367-S369 PolarHBondContact O-N 3.3Å; S369-V371 WeakPolarHBondContact O-CG2 3.5Å; S369-V371 PolarHBondContact O-N 3.27Å; S369-V371 WeakPolarHBondContact OG-CG2 3.43Å
370	S	28.2	Very low	32.3	Very low	95 Å²	95	98.2 Å²	98.2	66%	0.664	57%	0.572	S	S	*	*			trans	-65	69.4	159.9	51.5	0	0	0	0	107.2	P368 L372	P368-S370 PolarHBondContact O-N 2.99Å; S370-L372 PolarHBondContact O-N 3.17Å
371	V	28.4	Very low	33.5	Very low	86 Å²	86	90.5 Å²	90.5	52%	0.521	53%	0.534	S	S	.	.			trans	-56	129.4	162.2	-172	0	0	0	0	103.4	S369 S373	S369-V371 WeakPolarHBondContact O-CG2 3.5Å; S369-V371 PolarHBondContact O-N 3.27Å; S369-V371 WeakPolarHBondContact OG-CG2 3.43Å; V371-S373 PolarHBondContact O-N 2.84Å; V371-S373 VanDerWaalsContact O-N 3.08Å
372	L	33.3	Very low	34.5	Very low	18 Å²	18	86.8 Å²	86.8	9%	0.094	51%	0.509	C	S	.	.			trans	-38.1	126.4	162.2	-86.5	135.8	0	0	0	107.3	S370 S374 V377 F380 L454 Y460 L468	S370-L372 PolarHBondContact O-N 3.17Å; L372-S374 PolarHBondContact O-N 2.93Å; L372-V377 HydrophobicContact CB-CG2 3.83Å; L372-F380 HydrophobicContact CD2-CE2 4.43Å; L372-L454 HydrophobicContact CD1-CD2 4.28Å; L372-Y460 HydrophobicContact CD1-CE2 4.25Å; L372-Y460 WeakPolarHBondContact CD1-OH 3.42Å; L372-Y460 WeakPolarHBondContact CG-OH 3.15Å; L372-L468 HydrophobicContact CB-CD1 3.93Å; L372-L468 HydrophobicContact CD1-CD1 3.39Å; L372-L468 HydrophobicContact CD1-CD2 3.19Å; L372-L468 HydrophobicContact CD1-CG 3.88Å; L372-L468 HydrophobicContact CG-CD1 4.27Å
373	S	38.3	Very low	35.6	Very low	65 Å²	65	82.1 Å²	82.1	46%	0.455	48%	0.482	S	S	.	.			trans	-49.5	139.7	173.2	54.2	0	0	0	0	106.7	V371 D375 S376 V377	V371-S373 PolarHBondContact O-N 2.84Å; V371-S373 VanDerWaalsContact O-N 3.08Å; S373-D375 PolarHBondContact O-N 2.92Å; S373-S376 PolarHBondContact O-N 3.21Å; S373-S376 PolarHBondContact OG-OG 2.91Å; S373-V377 PolarHBondContact O-N 2.92Å
374	S	37.4	Very low	36.7	Very low	84 Å²	84	73.8 Å²	73.8	59%	0.587	44%	0.439	S	S	*	.	H	α-helix	trans	-38.7	-37.4	175.2	41.8	0	0	0	0	111.6	L372 S376 V377 V378	L372-S374 PolarHBondContact O-N 2.93Å; S374-S376 PolarHBondContact O-N 3.25Å; S374-V377 PolarHBondContact O-N 3.35Å; S374-V378 WeakPolarHBondContact O-CB 3.34Å; S374-V378 WeakPolarHBondContact O-CG2 3.4Å; S374-V378 PolarHBondContact O-N 2.88Å
375	D	39.4	Very low	37.9	Very low	112 Å²	112	69.2 Å²	69.2	60%	0.599	41%	0.405	S	S	*	.	H	α-helix	trans	-59.5	-39.1	178.2	-52.8	-14.4	0	0	0	114.8	S373 Q379	S373-D375 PolarHBondContact O-N 2.92Å; D375-Q379 PolarHBondContact O-N 3.14Å
376	S	46.6	Very low	38.7	Very low	31 Å²	31	66.3 Å²	66.3	22%	0.217	38%	0.384	C	S	.	.	H	α-helix	trans	-74	-37.2	177.3	-55.6	0	0	0	0	111.9	S373 S374 V378 Q379 F380	S373-S376 PolarHBondContact O-N 3.21Å; S373-S376 PolarHBondContact OG-OG 2.91Å; S374-S376 PolarHBondContact O-N 3.25Å; S376-V378 VanDerWaalsContact C-N 3.33Å; S376-Q379 PolarHBondContact O-N 3.44Å; S376-F380 WeakPolarHBondContact O-CD2 3.39Å; S376-F380 PolarHBondContact O-N 2.96Å
377	V	42.4	Very low	39.4	Very low	9 Å²	9	63.5 Å²	63.5	6%	0.055	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-43.1	173.5	180	0	0	0	0	109.9	L372 S373 S374 F380 L381 L468 M472	L372-V377 HydrophobicContact CB-CG2 3.83Å; S373-V377 PolarHBondContact O-N 2.92Å; S374-V377 PolarHBondContact O-N 3.35Å; V377-F380 PolarHBondContact O-N 3.04Å; V377-L381 HydrophobicContact CG1-CD1 3.79Å; V377-L381 HydrophobicContact CG1-CG 4.31Å; V377-L381 WeakPolarHBondContact O-CB 3.5Å; V377-L381 VanDerWaalsContact O-CG 3.24Å; V377-L381 WeakPolarHBondContact O-CG 3.41Å; V377-L381 PolarHBondContact O-N 3.41Å; V377-L468 HydrophobicContact CG2-CD1 3.54Å; V377-M472 HydrophobicContact CG1-CG 4.08Å
378	V	43.9	Very low	39.9	Very low	70 Å²	70	59 Å²	59	42%	0.424	35%	0.354	S	S	.	.	H	α-helix	trans	-58.2	-47.5	172.4	171.3	0	0	0	0	110.4	S374 S376 F380 L381 L382	S374-V378 WeakPolarHBondContact O-CB 3.34Å; S374-V378 WeakPolarHBondContact O-CG2 3.4Å; S374-V378 PolarHBondContact O-N 2.88Å; S376-V378 VanDerWaalsContact C-N 3.33Å; V378-F380 VanDerWaalsContact C-N 3.33Å; V378-F380 PolarHBondContact O-N 2.84Å; V378-L381 CarbonylContact O-C 3.4Å; V378-L381 PolarHBondContact O-N 2.81Å; V378-L381 VanDerWaalsContact O-N 3.07Å; V378-L382 HydrophobicContact CG1-CD1 4.15Å; V378-L382 HydrophobicContact CG1-CG 4.16Å; V378-L382 VanDerWaalsContact O-CG 3.24Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 3.28Å
379	Q	44.1	Very low	40.1	Very low	113 Å²	113	54.3 Å²	54.3	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-55.8	-42.6	174.9	-90.8	-178.4	-28.8	0	0	113.8	D375 S376	D375-Q379 PolarHBondContact O-N 3.14Å; S376-Q379 PolarHBondContact O-N 3.44Å
380	F	45.5	Very low	40.7	Very low	63 Å²	63	56.5 Å²	56.5	28%	0.276	34%	0.342	S	S	.	.	H	α-helix	trans	-70.1	-33.4	175.8	-73.5	-63.5	0	0	0	112.7	L372 S376 V377 V378 F383 L398 I450 L454	L372-F380 HydrophobicContact CD2-CE2 4.43Å; S376-F380 WeakPolarHBondContact O-CD2 3.39Å; S376-F380 PolarHBondContact O-N 2.96Å; V377-F380 PolarHBondContact O-N 3.04Å; V378-F380 VanDerWaalsContact C-N 3.33Å; V378-F380 PolarHBondContact O-N 2.84Å; F380-F383 WeakPolarHBondContact O-CB 3.24Å; F380-F383 PolarHBondContact O-N 3.19Å; F380-L398 HydrophobicContact CE1-CD1 4.1Å; F380-I450 HydrophobicContact CB-CG2 3.99Å; F380-I450 HydrophobicContact CD1-CG2 4.13Å; F380-I450 HydrophobicContact CG-CG2 4.23Å; F380-I450 VanDerWaalsContact O-CD1 3.31Å; F380-I450 WeakPolarHBondContact O-CD1 3.45Å; F380-L454 HydrophobicContact CD2-CD2 4.24Å; F380-L454 HydrophobicContact CE2-CD2 3.94Å; F380-L454 HydrophobicContact CZ-CD2 4.29Å
381	L	43.4	Very low	41.1	Very low	18 Å²	18	60.2 Å²	60.2	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-73.7	-33	175.9	-70.2	167.3	0	0	0	112.5	V377 V378 F383 L384 F385 E475	V377-L381 HydrophobicContact CG1-CD1 3.79Å; V377-L381 HydrophobicContact CG1-CG 4.31Å; V377-L381 WeakPolarHBondContact O-CB 3.5Å; V377-L381 VanDerWaalsContact O-CG 3.24Å; V377-L381 WeakPolarHBondContact O-CG 3.41Å; V377-L381 PolarHBondContact O-N 3.41Å; V378-L381 CarbonylContact O-C 3.4Å; V378-L381 PolarHBondContact O-N 2.81Å; V378-L381 VanDerWaalsContact O-N 3.07Å; L381-F383 PolarHBondContact O-N 3.09Å; L381-L384 HydrophobicContact CD2-CD1 3.68Å; L381-L384 VanDerWaalsContact O-CB 3.28Å; L381-L384 WeakPolarHBondContact O-CB 3.18Å; L381-L384 PolarHBondContact O-N 3.42Å; L381-F385 PolarHBondContact O-N 3.21Å; L381-E475 HydrophobicContact CD1-CB 3.33Å; L381-E475 HydrophobicContact CD1-CG 3.82Å
382	L	44.2	Very low	41.6	Very low	49 Å²	49	57.4 Å²	57.4	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-30.3	173.2	-71.5	172.5	0	0	0	111.3	V378 L384 F385 A388	V378-L382 HydrophobicContact CG1-CD1 4.15Å; V378-L382 HydrophobicContact CG1-CG 4.16Å; V378-L382 VanDerWaalsContact O-CG 3.24Å; V378-L382 WeakPolarHBondContact O-CG 3.47Å; V378-L382 PolarHBondContact O-N 3.28Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L384 PolarHBondContact O-N 3.32Å; L382-F385 CarbonylContact O-C 3.5Å; L382-F385 PolarHBondContact O-N 2.92Å; L382-A388 HydrophobicContact CD2-CB 3.25Å
383	F	47	Very low	41.7	Very low	56 Å²	56	60.3 Å²	60.3	25%	0.246	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.9	174.2	-176.7	-89	0	0	0	113.9	F380 L381 N395 R446 I450	F380-F383 WeakPolarHBondContact O-CB 3.24Å; F380-F383 PolarHBondContact O-N 3.19Å; L381-F383 PolarHBondContact O-N 3.09Å; F383-N395 VanDerWaalsContact CD2-OD1 3.3Å; F383-N395 WeakPolarHBondContact CD2-OD1 3.28Å; F383-N395 WeakPolarHBondContact CE2-OD1 3.48Å; F383-R446 HydrophobicContact CE1-CB 4.25Å; F383-R446 HydrophobicContact CE1-CG 4.27Å; F383-R446 PolarHBondContact O-NH1 2.99Å; F383-I450 HydrophobicContact CB-CD1 4.41Å; F383-I450 HydrophobicContact CD1-CD1 3.81Å; F383-I450 HydrophobicContact CD1-CG1 4.28Å
384	L	47.2	Very low	41.6	Very low	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-38.6	175.7	-65.9	174.3	0	0	0	111	L381 L382 P386 L443 R446 L447 I450 Y496	L381-L384 HydrophobicContact CD2-CD1 3.68Å; L381-L384 VanDerWaalsContact O-CB 3.28Å; L381-L384 WeakPolarHBondContact O-CB 3.18Å; L381-L384 PolarHBondContact O-N 3.42Å; L382-L384 VanDerWaalsContact C-N 3.32Å; L382-L384 PolarHBondContact O-N 3.32Å; L384-P386 VanDerWaalsContact O-CD 3.29Å; L384-P386 WeakPolarHBondContact O-CD 3.43Å; L384-L443 HydrophobicContact CB-CD1 3.83Å; L384-L443 HydrophobicContact CD2-CD1 4.23Å; L384-L443 WeakPolarHBondContact O-CD1 3.49Å; L384-R446 HydrophobicContact CD2-CB 3.75Å; L384-L447 HydrophobicContact CD1-CD1 3.76Å; L384-L447 HydrophobicContact CD2-CB 3.88Å; L384-L447 HydrophobicContact CD2-CD1 4.46Å; L384-I450 HydrophobicContact CD2-CD1 3.7Å; L384-I450 HydrophobicContact CG-CD1 3.84Å; L384-Y496 PolarHBondContact O-OH 2.98Å
385	F	49.7	Very low	41.6	Very low	10 Å²	10	57.2 Å²	57.2	4%	0.044	33%	0.329	C	S	.	.			trans	-114.3	85.3	-175.9	-55.3	-77.1	0	0	0	110	L381 L382 D387 A388 L443 L476 E479 L490	L381-F385 PolarHBondContact O-N 3.21Å; L382-F385 CarbonylContact O-C 3.5Å; L382-F385 PolarHBondContact O-N 2.92Å; F385-D387 PolarHBondContact O-N 2.68Å; F385-A388 WeakPolarHBondContact O-CB 3.4Å; F385-A388 PolarHBondContact O-N 3.36Å; F385-L443 HydrophobicContact CE1-CD1 4.44Å; F385-L443 HydrophobicContact CE1-CD2 3.97Å; F385-L443 HydrophobicContact CZ-CD2 4.33Å; F385-L476 HydrophobicContact CE2-CD1 4.31Å; F385-L476 HydrophobicContact CZ-CD1 3.79Å; F385-E479 HydrophobicContact CD1-CG 4.49Å; F385-E479 HydrophobicContact CD2-CG 4.07Å; F385-E479 HydrophobicContact CE1-CG 4.05Å; F385-E479 HydrophobicContact CE2-CB 4.3Å; F385-E479 HydrophobicContact CE2-CG 3.61Å; F385-E479 HydrophobicContact CG-CG 4.49Å; F385-E479 HydrophobicContact CZ-CB 4.36Å; F385-E479 HydrophobicContact CZ-CG 3.58Å; F385-L490 HydrophobicContact CE1-CD2 3.88Å
386	P	44.3	Very low	41.6	Very low	37 Å²	37	58.9 Å²	58.9	24%	0.24	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-58.2	-20.9	-176	25.5	-36.3	0	0	0	113.7	L384 A388 D389 Y496	L384-P386 VanDerWaalsContact O-CD 3.29Å; L384-P386 WeakPolarHBondContact O-CD 3.43Å; P386-A388 PolarHBondContact O-N 3.07Å; P386-A388 VanDerWaalsContact O-N 3.1Å; P386-D389 CarbonylContact O-C 3.51Å; P386-D389 PolarHBondContact O-N 3.29Å; P386-Y496 HydrophobicContact CG-CD1 4.19Å; P386-Y496 HydrophobicContact CG-CE1 3.53Å
387	D	41.3	Very low	41.3	Very low	92 Å²	92	61 Å²	61	49%	0.492	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-52.2	-29.5	170.6	-51	-24.2	0	0	0	112.1	F385 R483	F385-D387 PolarHBondContact O-N 2.68Å; D387-R483 IonicContact OD2-NH1 2.6Å; D387-R483 PolarHBondContact OD2-NH1 3.32Å; D387-R483 IonicContact OD2-NH2 3.66Å
388	A	38.5	Very low	41.1	Very low	58 Å²	58	63.3 Å²	63.3	48%	0.479	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-89.8	-10.8	-178.8	0	0	0	0	0	113.8	L382 F385 P386	L382-A388 HydrophobicContact CD2-CB 3.25Å; F385-A388 WeakPolarHBondContact O-CB 3.4Å; F385-A388 PolarHBondContact O-N 3.36Å; P386-A388 PolarHBondContact O-N 3.07Å; P386-A388 VanDerWaalsContact O-N 3.1Å
389	D	33	Very low	40.8	Very low	29 Å²	29	65.6 Å²	65.6	16%	0.155	36%	0.36	C	S	.	.			trans	-118.9	48.7	-178.5	-154.7	31.8	0	0	0	111.2	P386 E391 G392 C394	P386-D389 CarbonylContact O-C 3.51Å; P386-D389 PolarHBondContact O-N 3.29Å; D389-E391 PolarHBondContact O-N 3Å; D389-G392 PolarHBondContact O-N 3.24Å; D389-C394 PolarHBondContact OD1-SG 3.33Å; D389-C394 VanDerWaalsContact OD2-CB 3.22Å; D389-C394 WeakPolarHBondContact OD2-CB 3.37Å; D389-C394 PolarHBondContact OD2-N 3.22Å
390	A	38	Very low	40.5	Very low	91 Å²	91	64.1 Å²	64.1	75%	0.752	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-17.8	-177.4	0	0	0	0	0	114.7
391	E	37.8	Very low	40.2	Very low	174 Å²	174	67.2 Å²	67.2	81%	0.813	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	2.9	-179.6	-66.5	-168.7	161	0	0	115	D389 V393	D389-E391 PolarHBondContact O-N 3Å; E391-V393 HydrophobicContact CB-CG2 3.91Å; E391-V393 PolarHBondContact O-N 2.96Å
392	G	38.1	Very low	39.8	Very low	27 Å²	27	69.6 Å²	69.6	28%	0.278	38%	0.383	S	S	.	.			trans	59.6	21.7	172.7	0	0	0	0	0	114.9	D389	D389-G392 PolarHBondContact O-N 3.24Å
393	V	35.2	Very low	39.3	Very low	79 Å²	79	71 Å²	71	48%	0.479	39%	0.394	S	S	.	.	H	α-helix	trans	-69.5	-39.5	-176.1	179.6	0	0	0	0	110.3	E391 N395 K396 V397	E391-V393 HydrophobicContact CB-CG2 3.91Å; E391-V393 PolarHBondContact O-N 2.96Å; V393-N395 PolarHBondContact O-N 3.39Å; V393-K396 PolarHBondContact O-N 3.27Å; V393-V397 WeakPolarHBondContact O-CG2 3.43Å; V393-V397 PolarHBondContact O-N 3.47Å
394	C	36.5	Very low	38.5	Very low	24 Å²	24	74.9 Å²	74.9	16%	0.162	42%	0.417	C	S	.	.	H	α-helix	trans	-69.2	-36.4	-175.5	-59	0	0	0	0	112.5	D389 K396 V397 L398	D389-C394 PolarHBondContact OD1-SG 3.33Å; D389-C394 VanDerWaalsContact OD2-CB 3.22Å; D389-C394 WeakPolarHBondContact OD2-CB 3.37Å; D389-C394 PolarHBondContact OD2-N 3.22Å; C394-K396 PolarHBondContact O-N 3.47Å; C394-V397 PolarHBondContact O-N 3.28Å; C394-L398 PolarHBondContact O-N 2.87Å
395	N	38.6	Very low	37.8	Very low	60 Å²	60	78.3 Å²	78.3	32%	0.321	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-39.8	177.4	-80.9	-13.5	0	0	0	113	F383 V393 H399	F383-N395 VanDerWaalsContact CD2-OD1 3.3Å; F383-N395 WeakPolarHBondContact CD2-OD1 3.28Å; F383-N395 WeakPolarHBondContact CE2-OD1 3.48Å; V393-N395 PolarHBondContact O-N 3.39Å; N395-H399 VanDerWaalsContact O-CB 3.31Å; N395-H399 WeakPolarHBondContact O-CB 3.41Å; N395-H399 PolarHBondContact O-N 3.5Å
396	K	39.3	Very low	36.9	Very low	147 Å²	147	85.9 Å²	85.9	64%	0.639	47%	0.474	S	S	*	.	H	α-helix	trans	-69.2	-40.6	177.6	-83.8	-177.8	176.9	171.9	0	112.2	V393 C394 H399 N400	V393-K396 PolarHBondContact O-N 3.27Å; C394-K396 PolarHBondContact O-N 3.47Å; K396-H399 PolarHBondContact O-N 3.17Å; K396-N400 VanDerWaalsContact O-CB 3.26Å; K396-N400 WeakPolarHBondContact O-CB 3.31Å; K396-N400 PolarHBondContact O-N 3Å; K396-N400 PolarHBondContact O-ND2 2.96Å
397	V	38.7	Very low	36.1	Very low	74 Å²	74	86.9 Å²	86.9	45%	0.448	49%	0.491	S	S	.	.	H	α-helix	trans	-63.9	-48	179.6	175.2	0	0	0	0	110.4	V393 C394 H399 N400 E401	V393-V397 WeakPolarHBondContact O-CG2 3.43Å; V393-V397 PolarHBondContact O-N 3.47Å; C394-V397 PolarHBondContact O-N 3.28Å; V397-H399 PolarHBondContact O-N 3.42Å; V397-N400 PolarHBondContact O-N 3.03Å; V397-E401 PolarHBondContact O-N 3.35Å
398	L	38.8	Very low	35.5	Very low	59 Å²	59	91 Å²	91	31%	0.309	51%	0.512	S	S	.	.	H	α-helix	trans	-63	-44	178.3	-160	91.5	0	0	0	111.6	F380 C394 N400 E401 L402	F380-L398 HydrophobicContact CE1-CD1 4.1Å; C394-L398 PolarHBondContact O-N 2.87Å; L398-N400 PolarHBondContact O-N 3.33Å; L398-E401 PolarHBondContact O-N 2.97Å; L398-L402 HydrophobicContact CD2-CD1 3.94Å; L398-L402 HydrophobicContact CG-CD1 3.97Å; L398-L402 WeakPolarHBondContact O-CB 3.27Å; L398-L402 WeakPolarHBondContact O-CD1 3.32Å; L398-L402 WeakPolarHBondContact O-CG 3.3Å; L398-L402 PolarHBondContact O-N 2.93Å
399	H	37.9	Very low	35.2	Very low	118 Å²	118	94.7 Å²	94.7	55%	0.546	52%	0.524	S	S	.	.	H	α-helix	trans	-62	-43	177.1	-173.7	68.3	0	0	0	112	N395 K396 V397 L402 T403	N395-H399 VanDerWaalsContact O-CB 3.31Å; N395-H399 WeakPolarHBondContact O-CB 3.41Å; N395-H399 PolarHBondContact O-N 3.5Å; K396-H399 PolarHBondContact O-N 3.17Å; V397-H399 PolarHBondContact O-N 3.42Å; H399-L402 PolarHBondContact O-N 3.32Å; H399-T403 WeakPolarHBondContact O-CB 3.35Å; H399-T403 WeakPolarHBondContact O-CG2 3.37Å; H399-T403 PolarHBondContact O-N 3.09Å; H399-T403 PolarHBondContact O-OG1 3.26Å
400	N	38.1	Very low	35.6	Very low	82 Å²	82	99.3 Å²	99.3	44%	0.439	56%	0.558	S	S	.	*	H	α-helix	trans	-65.3	-41.8	177.4	-72.6	-13.7	0	0	0	111.7	K396 V397 L398 T403 L404	K396-N400 VanDerWaalsContact O-CB 3.26Å; K396-N400 WeakPolarHBondContact O-CB 3.31Å; K396-N400 PolarHBondContact O-N 3Å; K396-N400 PolarHBondContact O-ND2 2.96Å; V397-N400 PolarHBondContact O-N 3.03Å; L398-N400 PolarHBondContact O-N 3.33Å; N400-T403 PolarHBondContact O-N 3.39Å; N400-T403 PolarHBondContact O-OG1 3.25Å; N400-L404 HydrophobicContact CB-CD1 4.2Å; N400-L404 VanDerWaalsContact O-CB 3.25Å; N400-L404 WeakPolarHBondContact O-CB 3.26Å; N400-L404 WeakPolarHBondContact O-CD1 3.44Å; N400-L404 WeakPolarHBondContact O-CG 3.48Å; N400-L404 PolarHBondContact O-N 3.31Å
401	E	39.1	Very low	36.2	Very low	127 Å²	127	98.2 Å²	98.2	59%	0.593	54%	0.539	S	S	*	.	H	α-helix	trans	-64.7	-38.9	175	-80.7	-167.2	151.3	0	0	112.7	V397 L398	V397-E401 PolarHBondContact O-N 3.35Å; L398-E401 PolarHBondContact O-N 2.97Å
402	L	34	Very low	37.2	Very low	68 Å²	68	91.4 Å²	91.4	36%	0.356	51%	0.507	S	S	.	.	H	α-helix	trans	-68.3	-31.3	176.5	-80.9	159.6	0	0	0	113	L398 H399 Y457	L398-L402 HydrophobicContact CD2-CD1 3.94Å; L398-L402 HydrophobicContact CG-CD1 3.97Å; L398-L402 WeakPolarHBondContact O-CB 3.27Å; L398-L402 WeakPolarHBondContact O-CD1 3.32Å; L398-L402 WeakPolarHBondContact O-CG 3.3Å; L398-L402 PolarHBondContact O-N 2.93Å; H399-L402 PolarHBondContact O-N 3.32Å; L402-Y457 HydrophobicContact CD2-CE2 3.99Å; L402-Y457 WeakPolarHBondContact CD2-OH 3.44Å; L402-Y457 WeakPolarHBondContact CG-OH 3.25Å
403	T	34.7	Very low	38.6	Very low	79 Å²	79	94.5 Å²	94.5	49%	0.485	51%	0.514	S	S	.	.	H	α-helix	trans	-95.9	-25.1	-174.5	46	0	0	0	0	114.2	H399 N400 S405	H399-T403 WeakPolarHBondContact O-CB 3.35Å; H399-T403 WeakPolarHBondContact O-CG2 3.37Å; H399-T403 PolarHBondContact O-N 3.09Å; H399-T403 PolarHBondContact O-OG1 3.26Å; N400-T403 PolarHBondContact O-N 3.39Å; N400-T403 PolarHBondContact O-OG1 3.25Å; T403-S405 PolarHBondContact O-N 3.47Å
404	L	29.4	Very low	39.9	Very low	138 Å²	138	90.7 Å²	90.7	72%	0.723	49%	0.492	S	S	*	.	S	Bend	trans	-85.9	1.1	-174.1	-75.8	163.9	0	0	0	115.1	N400 F406	N400-L404 HydrophobicContact CB-CD1 4.2Å; N400-L404 VanDerWaalsContact O-CB 3.25Å; N400-L404 WeakPolarHBondContact O-CB 3.26Å; N400-L404 WeakPolarHBondContact O-CD1 3.44Å; N400-L404 WeakPolarHBondContact O-CG 3.48Å; N400-L404 PolarHBondContact O-N 3.31Å; L404-F406 VanDerWaalsContact C-N 3.32Å; L404-F406 PolarHBondContact O-N 2.93Å; L404-F406 VanDerWaalsContact O-N 3.15Å
405	S	32.8	Very low	40.9	Very low	72 Å²	72	91.3 Å²	91.3	50%	0.503	49%	0.493	S	S	.	.			trans	-87.8	42.7	-175.9	70.9	0	0	0	0	114.9	T403	T403-S405 PolarHBondContact O-N 3.47Å
406	F	31.4	Very low	41.9	Very low	169 Å²	169	92.6 Å²	92.6	74%	0.741	50%	0.499	S	S	*	.			trans	-145.6	86.1	163.9	-68.5	-74.7	0	0	0	110.2	L404 I411	L404-F406 VanDerWaalsContact C-N 3.32Å; L404-F406 PolarHBondContact O-N 2.93Å; L404-F406 VanDerWaalsContact O-N 3.15Å; F406-I411 HydrophobicContact CD1-CD1 4.3Å
407	G	27.2	Very low	42.8	Very low	57 Å²	57	87.7 Å²	87.7	59%	0.588	48%	0.476	S	S	*	.			trans	-64.2	147.6	167.8	0	0	0	0	0	111.3	L409	G407-L409 VanDerWaalsContact C-N 3.26Å; G407-L409 PolarHBondContact O-N 3.43Å
408	D	28	Very low	43.8	Very low	178 Å²	178	91.2 Å²	91.2	95%	0.952	49%	0.486	S	S	*	.	S	Bend	trans	-47.2	70.4	-177.9	-73.1	-41.9	0	0	0	115.7
409	L	33.4	Very low	44.3	Very low	136 Å²	136	95.2 Å²	95.2	71%	0.712	50%	0.497	S	S	*	.			trans	-86	139.8	149.3	-76.6	108.8	0	0	0	107.2	G407 I411	G407-L409 VanDerWaalsContact C-N 3.26Å; G407-L409 PolarHBondContact O-N 3.43Å; L409-I411 HydrophobicContact CB-CG1 4.15Å; L409-I411 WeakPolarHBondContact O-CG1 3.4Å; L409-I411 PolarHBondContact O-N 2.87Å
410	S	40.8	Very low	45.2	Very low	127 Å²	127	95.1 Å²	95.1	89%	0.888	50%	0.496	S	S	*	.			trans	-65.2	76.2	167.9	57.8	0	0	0	0	109.2
411	I	51.2	Low	45.6	Very low	67 Å²	67	97.1 Å²	97.1	34%	0.344	51%	0.514	S	S	.	.			trans	-69.9	128.3	178.4	-64.5	162.6	0	0	0	106.6	F406 L409 L415 I416	F406-I411 HydrophobicContact CD1-CD1 4.3Å; L409-I411 HydrophobicContact CB-CG1 4.15Å; L409-I411 WeakPolarHBondContact O-CG1 3.4Å; L409-I411 PolarHBondContact O-N 2.87Å; I411-L415 HydrophobicContact CG2-CB 3.55Å; I411-L415 HydrophobicContact CG2-CD1 4.23Å; I411-I416 HydrophobicContact CB-CG1 4.47Å; I411-I416 HydrophobicContact CG2-CG1 3.91Å
412	H	58.5	Low	45.8	Very low	31 Å²	31	92.1 Å²	92.1	14%	0.144	49%	0.491	C	S	.	.			trans	-59.5	142.3	175.1	-167.5	-80.5	0	0	0	110.2	L414 L415 I738	H412-L414 PolarHBondContact ND1-N 3.45Å; H412-L414 PolarHBondContact O-N 3.31Å; H412-L415 PolarHBondContact O-N 2.9Å; H412-I738 HydrophobicContact CB-CD1 3.23Å; H412-I738 HydrophobicContact CB-CG1 3.7Å; H412-I738 HydrophobicContact CB-CG2 4.17Å
413	E	67.2	Low	46.5	Very low	92 Å²	92	93.3 Å²	93.3	43%	0.43	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-50.8	-36	-175.7	59.3	175.7	-155.1	0	0	114.3	L415 I416 H666	E413-L415 VanDerWaalsContact C-N 3.28Å; E413-L415 PolarHBondContact O-N 3.4Å; E413-I416 WeakPolarHBondContact O-CB 3.49Å; E413-I416 PolarHBondContact O-N 3.27Å; E413-I416 VanDerWaalsContact O-N 3.13Å; E413-H666 IonicContact OE1-CE1 3.95Å; E413-H666 PolarHBondContact OE1-CE1 2.78Å; E413-H666 IonicContact OE1-NE2 3.45Å; E413-H666 IonicContact OE2-NE2 3.42Å
414	L	61.6	Low	47.3	Very low	0 Å²	0	93.2 Å²	93.2	0%	0	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-67.8	-19.6	179.1	-69.3	170.8	0	0	0	115.1	H412 H666 R668 L669 I734 L746 L752	H412-L414 PolarHBondContact ND1-N 3.45Å; H412-L414 PolarHBondContact O-N 3.31Å; L414-H666 HydrophobicContact CD2-CB 3.98Å; L414-H666 WeakPolarHBondContact CD2-ND1 3.45Å; L414-R668 HydrophobicContact CD2-CB 4.38Å; L414-L669 HydrophobicContact CD2-CD1 3.99Å; L414-L669 HydrophobicContact CD2-CG 4.09Å; L414-I734 HydrophobicContact CB-CD1 4.41Å; L414-I734 HydrophobicContact CB-CG2 4.23Å; L414-L746 HydrophobicContact CD1-CB 3.63Å; L414-L746 HydrophobicContact CD1-CD1 4.14Å; L414-L746 HydrophobicContact CD1-CD2 4.38Å; L414-L746 HydrophobicContact CD1-CG 4.26Å; L414-L752 HydrophobicContact CD1-CD1 4.24Å
415	L	59.1	Low	48.6	Very low	36 Å²	36	87.7 Å²	87.7	19%	0.188	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-91	-6.7	174.6	-71.1	174	0	0	0	112.4	I411 H412 E413 W417 I734 Y735 I738	I411-L415 HydrophobicContact CG2-CB 3.55Å; I411-L415 HydrophobicContact CG2-CD1 4.23Å; H412-L415 PolarHBondContact O-N 2.9Å; E413-L415 VanDerWaalsContact C-N 3.28Å; E413-L415 PolarHBondContact O-N 3.4Å; L415-W417 VanDerWaalsContact O-CD1 3.25Å; L415-W417 PolarHBondContact O-N 2.94Å; L415-I734 HydrophobicContact CD2-CB 4.12Å; L415-I734 HydrophobicContact CD2-CG2 3.62Å; L415-I734 HydrophobicContact CG-CG2 3.8Å; L415-Y735 HydrophobicContact CD1-CD2 3.67Å; L415-Y735 HydrophobicContact CD1-CG 4.49Å; L415-I738 HydrophobicContact CD1-CD1 3.35Å; L415-I738 HydrophobicContact CG-CD1 3.68Å
416	I	59.9	Low	50	Low	87 Å²	87	86.7 Å²	86.7	45%	0.446	46%	0.459	S	S	.	.			trans	-85.7	98.3	178.3	-55.2	177.4	0	0	0	107.6	I411 E413	I411-I416 HydrophobicContact CB-CG1 4.47Å; I411-I416 HydrophobicContact CG2-CG1 3.91Å; E413-I416 WeakPolarHBondContact O-CB 3.49Å; E413-I416 PolarHBondContact O-N 3.27Å; E413-I416 VanDerWaalsContact O-N 3.13Å
417	W	57.9	Low	51.5	Low	45 Å²	45	82 Å²	82	17%	0.17	44%	0.439	C	S	.	.			trans	-96.7	118.7	172	-62.4	80.1	0	0	0	108.1	L415 L663 P665 L669 Y673 F727 F730 N731	L415-W417 VanDerWaalsContact O-CD1 3.25Å; L415-W417 PolarHBondContact O-N 2.94Å; W417-L663 HydrophobicContact CB-CD2 4.41Å; W417-L663 HydrophobicContact CE3-CB 4.33Å; W417-P665 HydrophobicContact CE3-CB 3.92Å; W417-P665 HydrophobicContact CH2-CB 3.89Å; W417-P665 HydrophobicContact CZ3-CB 3.41Å; W417-P665 VanDerWaalsContact CZ3-CB 3.41Å; W417-P665 HydrophobicContact CZ3-CG 4.27Å; W417-L669 HydrophobicContact CH2-CD1 4.43Å; W417-L669 HydrophobicContact CZ2-CD1 4.1Å; W417-Y673 HydrophobicContact CH2-CD2 4.15Å; W417-Y673 AromaticContact CZ3-CD2 3.91Å; W417-Y673 HydrophobicContact CZ3-CD2 3.91Å; W417-Y673 HydrophobicContact CZ3-CE2 4.13Å; W417-Y673 HydrophobicContact CZ3-CG 4.14Å; W417-F727 HydrophobicContact CD2-CE2 4.42Å; W417-F727 AromaticContact CD2-CZ 3.92Å; W417-F727 HydrophobicContact CD2-CZ 3.92Å; W417-F727 AromaticContact CE2-CZ 3.91Å; W417-F727 HydrophobicContact CE3-CE2 4.04Å; W417-F727 AromaticContact CE3-CZ 3.81Å; W417-F727 HydrophobicContact CE3-CZ 3.81Å; W417-F727 HydrophobicContact CH2-CD2 4.39Å; W417-F727 AromaticContact CH2-CE2 3.31Å; W417-F727 HydrophobicContact CH2-CE2 3.31Å; W417-F727 AromaticContact CH2-CZ 3.82Å; W417-F727 HydrophobicContact CH2-CZ 3.82Å; W417-F727 AromaticContact CZ2-CE2 3.72Å; W417-F727 HydrophobicContact CZ2-CE2 3.72Å; W417-F727 AromaticContact CZ2-CZ 3.89Å; W417-F727 HydrophobicContact CZ2-CZ 3.89Å; W417-F727 AromaticContact CZ3-CE2 3.44Å; W417-F727 HydrophobicContact CZ3-CE2 3.44Å; W417-F727 VanDerWaalsContact CZ3-CE2 3.44Å; W417-F727 AromaticContact CZ3-CZ 3.73Å; W417-F727 HydrophobicContact CZ3-CZ 3.73Å; W417-F730 HydrophobicContact CZ2-CE1 4.44Å; W417-N731 PolarHBondContact NE1-OD1 3.48Å
418	K	58.2	Low	53.4	Low	148 Å²	148	82.8 Å²	82.8	64%	0.643	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.6	175.5	-67.3	-178.1	178.9	-177.9	0	108.5	V664	K418-V664 HydrophobicContact CB-CB 4.19Å; K418-V664 PolarHBondContact N-O 3.39Å; K418-V664 VanDerWaalsContact N-O 3.15Å; K418-V664 WeakPolarHBondContact O-CA 3.24Å; K418-V664 WeakPolarHBondContact O-CB 3.32Å; K418-V664 PolarHBondContact O-N 2.95Å
419	R	50.3	Low	55.2	Low	143 Å²	143	77.2 Å²	77.2	54%	0.54	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.7	167	-161.7	174.9	-175	-176.9	-1.7	108	E655 S662	R419-E655 IonicContact NH2-OE1 2.68Å; R419-S662 CarbonylContact C-O 3.53Å; R419-S662 VanDerWaalsContact CA-O 3.31Å; R419-S662 WeakPolarHBondContact CA-O 3.5Å; R419-S662 WeakPolarHBondContact CG-OG 3.47Å; R419-S662 PolarHBondContact NE-OG 2.83Å
420	Q	55.9	Low	56.9	Low	115 Å²	115	77.3 Å²	77.3	54%	0.537	39%	0.387	S	S	.	.			trans	-69.8	136.7	164	-93.7	169.9	-1.9	0	0	108	I422 S662 V664	Q420-I422 VanDerWaalsContact C-N 3.27Å; Q420-I422 PolarHBondContact O-N 3.4Å; Q420-S662 PolarHBondContact N-O 3.42Å; Q420-S662 WeakPolarHBondContact O-CB 3.42Å; Q420-V664 HydrophobicContact CB-CG2 4Å; Q420-V664 HydrophobicContact CG-CG2 3.45Å; Q420-V664 VanDerWaalsContact CG-CG2 3.45Å
421	P	47.9	Very low	58.5	Low	124 Å²	124	73.2 Å²	73.2	81%	0.805	35%	0.353	S	S	*	.			trans	-62.7	101.2	162.3	27.6	-30	0	0	0	105.6	M423	P421-M423 PolarHBondContact O-N 3.15Å
422	I	43.5	Very low	59.5	Low	22 Å²	22	70.2 Å²	70.2	11%	0.113	34%	0.338	C	S	.	.			trans	-64.3	99.8	169.8	-79	-171.7	0	0	0	106.3	Q420 R428 F658 H661	Q420-I422 VanDerWaalsContact C-N 3.27Å; Q420-I422 PolarHBondContact O-N 3.4Å; I422-R428 HydrophobicContact CG2-CG 4.2Å; I422-R428 PolarHBondContact O-NE 2.91Å; I422-R428 PolarHBondContact O-NH2 2.85Å; I422-F658 HydrophobicContact CG2-CD1 4.29Å; I422-H661 HydrophobicContact CD1-CB 3.58Å
423	M	47.4	Very low	60.1	Low	93 Å²	93	71.2 Å²	71.2	46%	0.458	35%	0.349	S	S	.	.				77.3	138.2	122.9	-69.6	-158.5	163.3	0	0	115.9	P421 E427 R428	P421-M423 PolarHBondContact O-N 3.15Å; M423-E427 WeakPolarHBondContact CA-OE2 3.31Å; M423-E427 HydrophobicContact CB-CB 3.52Å; M423-E427 HydrophobicContact CB-CG 4.3Å; M423-E427 WeakPolarHBondContact CB-OE2 3.37Å; M423-E427 HydrophobicContact CG-CB 4Å; M423-E427 HydrophobicContact CG-CG 4.41Å; M423-E427 WeakPolarHBondContact CG-OE2 3.24Å; M423-E427 HydrophobicContact SD-CB 3.58Å; M423-E427 VanDerWaalsContact SD-CB 3.58Å; M423-E427 VanDerWaalsContact SD-CD 3.54Å; M423-E427 HydrophobicContact SD-CG 3.92Å; M423-R428 HydrophobicContact CB-CG 4.46Å
424	N	52.7	Low	60.4	Low	77 Å²	77	69.6 Å²	69.6	41%	0.412	35%	0.345	S	S	.	.			trans	-51.3	153.5	173.4	-71.2	-38.5	0	0	0	109.6	S426 E427 R428 N504	N424-S426 PolarHBondContact O-N 3.46Å; N424-E427 PolarHBondContact N-OE2 3.49Å; N424-E427 VanDerWaalsContact N-OE2 3.15Å; N424-E427 PolarHBondContact O-N 3.31Å; N424-R428 PolarHBondContact O-N 2.83Å; N424-N504 PolarHBondContact OD1-ND2 3.5Å
425	S	56.2	Low	60.9	Low	22 Å²	22	70.1 Å²	70.1	15%	0.154	35%	0.348	C	S	.	.	H	α-helix	trans	-45.4	-37.2	178	50.6	0	0	0	0	112.9	Q429	S425-Q429 VanDerWaalsContact O-CG 3.3Å; S425-Q429 WeakPolarHBondContact O-CG 3.07Å; S425-Q429 PolarHBondContact O-N 2.89Å; S425-Q429 VanDerWaalsContact O-N 3.15Å
426	S	62.2	Low	61.3	Low	52 Å²	52	68.8 Å²	68.8	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-39.2	178.6	61	0	0	0	0	114.7	N424 K430	N424-S426 PolarHBondContact O-N 3.46Å; S426-K430 VanDerWaalsContact O-CG 3.29Å; S426-K430 WeakPolarHBondContact O-CG 3.47Å; S426-K430 PolarHBondContact O-N 3.21Å
427	E	62.5	Low	62.1	Low	70 Å²	70	65.2 Å²	65.2	33%	0.327	32%	0.324	S	S	.	.	H	α-helix	trans	-75.4	-37.6	-178.9	-83.4	173	152.4	0	0	111.6	M423 N424 Q429 K430 F431	M423-E427 WeakPolarHBondContact CA-OE2 3.31Å; M423-E427 HydrophobicContact CB-CB 3.52Å; M423-E427 HydrophobicContact CB-CG 4.3Å; M423-E427 WeakPolarHBondContact CB-OE2 3.37Å; M423-E427 HydrophobicContact CG-CB 4Å; M423-E427 HydrophobicContact CG-CG 4.41Å; M423-E427 WeakPolarHBondContact CG-OE2 3.24Å; M423-E427 HydrophobicContact SD-CB 3.58Å; M423-E427 VanDerWaalsContact SD-CB 3.58Å; M423-E427 VanDerWaalsContact SD-CD 3.54Å; M423-E427 HydrophobicContact SD-CG 3.92Å; N424-E427 PolarHBondContact N-OE2 3.49Å; N424-E427 VanDerWaalsContact N-OE2 3.15Å; N424-E427 PolarHBondContact O-N 3.31Å; E427-Q429 VanDerWaalsContact C-N 3.32Å; E427-Q429 PolarHBondContact O-N 2.66Å; E427-K430 PolarHBondContact O-N 2.88Å; E427-F431 WeakPolarHBondContact O-CB 3.18Å; E427-F431 PolarHBondContact O-N 3.11Å
428	R	66.7	Low	62.7	Low	74 Å²	74	63 Å²	63	28%	0.279	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-42	171.3	-65	-171	-176	-164.9	-0.8	111.5	I422 M423 N424 F431 A432 P440 F658	I422-R428 HydrophobicContact CG2-CG 4.2Å; I422-R428 PolarHBondContact O-NE 2.91Å; I422-R428 PolarHBondContact O-NH2 2.85Å; M423-R428 HydrophobicContact CB-CG 4.46Å; N424-R428 PolarHBondContact O-N 2.83Å; R428-F431 PolarHBondContact O-N 2.82Å; R428-A432 WeakPolarHBondContact O-CB 3.2Å; R428-A432 PolarHBondContact O-N 3.31Å; R428-P440 HydrophobicContact CB-CB 4.21Å; R428-P440 HydrophobicContact CB-CG 3.61Å; R428-F658 HydrophobicContact CB-CE1 4.15Å; R428-F658 HydrophobicContact CB-CZ 3.78Å; R428-F658 HydrophobicContact CG-CE1 4.19Å; R428-F658 HydrophobicContact CG-CZ 4.1Å
429	Q	66.1	Low	63.2	Low	60 Å²	60	58.2 Å²	58.2	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-62.9	-44.5	174.3	-74.4	173.6	0.8	0	0	111.5	S425 E427 F431 A432 S433 P440 I441 E497	S425-Q429 VanDerWaalsContact O-CG 3.3Å; S425-Q429 WeakPolarHBondContact O-CG 3.07Å; S425-Q429 PolarHBondContact O-N 2.89Å; S425-Q429 VanDerWaalsContact O-N 3.15Å; E427-Q429 VanDerWaalsContact C-N 3.32Å; E427-Q429 PolarHBondContact O-N 2.66Å; Q429-F431 PolarHBondContact O-N 2.69Å; Q429-A432 PolarHBondContact O-N 3.03Å; Q429-S433 VanDerWaalsContact O-CB 3.28Å; Q429-S433 WeakPolarHBondContact O-CB 3.4Å; Q429-S433 PolarHBondContact O-N 2.9Å; Q429-S433 PolarHBondContact O-OG 3.15Å; Q429-P440 HydrophobicContact CG-CG 4.46Å; Q429-I441 HydrophobicContact CG-CD1 4.25Å; Q429-E497 PolarHBondContact NE2-OE1 2.77Å
430	K	70.2	Confident	63.9	Low	139 Å²	139	51.8 Å²	51.8	60%	0.604	27%	0.274	S	S	*	.	H	α-helix	trans	-59.5	-45.5	174.7	-75.7	173.2	-176.5	179.6	0	111.6	S426 E427 S433 T434	S426-K430 VanDerWaalsContact O-CG 3.29Å; S426-K430 WeakPolarHBondContact O-CG 3.47Å; S426-K430 PolarHBondContact O-N 3.21Å; E427-K430 PolarHBondContact O-N 2.88Å; K430-S433 WeakPolarHBondContact CA-OG 3.34Å; K430-S433 PolarHBondContact O-N 3.38Å; K430-S433 PolarHBondContact O-OG 3.4Å; K430-T434 PolarHBondContact O-N 2.79Å; K430-T434 PolarHBondContact O-OG1 3.24Å
431	F	73	Confident	64.4	Low	41 Å²	41	46.9 Å²	46.9	18%	0.18	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-51.1	176.9	-175.7	-91.7	0	0	0	111.5	E427 R428 Q429 S433 T434 F435 L654 M657 F658 H661	E427-F431 WeakPolarHBondContact O-CB 3.18Å; E427-F431 PolarHBondContact O-N 3.11Å; R428-F431 PolarHBondContact O-N 2.82Å; Q429-F431 PolarHBondContact O-N 2.69Å; F431-S433 VanDerWaalsContact C-N 3.28Å; F431-S433 PolarHBondContact O-N 3.35Å; F431-T434 VanDerWaalsContact O-CB 3.31Å; F431-T434 WeakPolarHBondContact O-CB 3.2Å; F431-T434 PolarHBondContact O-N 2.91Å; F431-T434 VanDerWaalsContact O-N 3.08Å; F431-F435 HydrophobicContact CD1-CD2 4.44Å; F431-F435 HydrophobicContact CD2-CE2 4.37Å; F431-F435 HydrophobicContact CE1-CD2 4.1Å; F431-F435 AromaticContact CE1-CE2 3.94Å; F431-F435 HydrophobicContact CE1-CE2 3.94Å; F431-F435 AromaticContact CE2-CE2 3.79Å; F431-F435 HydrophobicContact CE2-CE2 3.79Å; F431-F435 HydrophobicContact CZ-CD2 4.18Å; F431-F435 AromaticContact CZ-CE2 3.55Å; F431-F435 HydrophobicContact CZ-CE2 3.55Å; F431-F435 HydrophobicContact CZ-CZ 4.4Å; F431-F435 WeakPolarHBondContact O-CD2 2.73Å; F431-L654 HydrophobicContact CD1-CD1 4.32Å; F431-M657 HydrophobicContact CE1-CB 4.05Å; F431-M657 HydrophobicContact CE1-CE 3.97Å; F431-M657 HydrophobicContact CZ-CB 4.33Å; F431-M657 HydrophobicContact CZ-CE 3.88Å; F431-F658 HydrophobicContact CB-CE1 4.23Å; F431-F658 HydrophobicContact CD1-CD1 4.05Å; F431-F658 AromaticContact CD1-CE1 3.54Å; F431-F658 HydrophobicContact CD1-CE1 3.54Å; F431-F658 HydrophobicContact CD1-CZ 4.37Å; F431-F658 HydrophobicContact CE1-CD1 4.32Å; F431-F658 HydrophobicContact CE1-CE1 4.22Å; F431-F658 HydrophobicContact CG-CE1 4.12Å; F431-H661 AromaticContact CE2-CD2 3.94Å; F431-H661 AromaticContact CE2-CE1 3.71Å; F431-H661 AromaticContact CE2-ND1 3.89Å; F431-H661 AromaticContact CE2-NE2 3.75Å; F431-H661 AromaticContact CZ-CD2 3.56Å; F431-H661 AromaticContact CZ-NE2 3.57Å
432	A	72.9	Confident	65.4	Low	3 Å²	3	41.8 Å²	41.8	3%	0.025	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-40.9	176.5	0	0	0	0	0	112	R428 Q429 T434 F435 G436 L437 P438 L654	R428-A432 WeakPolarHBondContact O-CB 3.2Å; R428-A432 PolarHBondContact O-N 3.31Å; Q429-A432 PolarHBondContact O-N 3.03Å; A432-T434 VanDerWaalsContact C-N 3.28Å; A432-T434 PolarHBondContact O-N 3.1Å; A432-F435 PolarHBondContact O-N 3.32Å; A432-G436 PolarHBondContact O-N 2.73Å; A432-L437 PolarHBondContact O-N 3.34Å; A432-P438 WeakPolarHBondContact CB-O 3.46Å; A432-L654 HydrophobicContact CB-CD1 4.03Å; A432-L654 HydrophobicContact CB-CD2 4.18Å
433	S	70.6	Confident	66.7	Low	53 Å²	53	41.6 Å²	41.6	37%	0.371	22%	0.218	S	C	.	.	H	α-helix	trans	-65.1	-28.8	177.7	77.2	0	0	0	0	113.5	Q429 K430 F431 F435 G436	Q429-S433 VanDerWaalsContact O-CB 3.28Å; Q429-S433 WeakPolarHBondContact O-CB 3.4Å; Q429-S433 PolarHBondContact O-N 2.9Å; Q429-S433 PolarHBondContact O-OG 3.15Å; K430-S433 WeakPolarHBondContact CA-OG 3.34Å; K430-S433 PolarHBondContact O-N 3.38Å; K430-S433 PolarHBondContact O-OG 3.4Å; F431-S433 VanDerWaalsContact C-N 3.28Å; F431-S433 PolarHBondContact O-N 3.35Å; S433-F435 VanDerWaalsContact C-N 3.31Å; S433-F435 PolarHBondContact O-N 3.28Å; S433-G436 PolarHBondContact O-N 3.4Å
434	T	73.3	Confident	68	Low	58 Å²	58	37.3 Å²	37.3	36%	0.356	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-38	178.2	-56.6	0	0	0	0	111.2	K430 F431 A432	K430-T434 PolarHBondContact O-N 2.79Å; K430-T434 PolarHBondContact O-OG1 3.24Å; F431-T434 VanDerWaalsContact O-CB 3.31Å; F431-T434 WeakPolarHBondContact O-CB 3.2Å; F431-T434 PolarHBondContact O-N 2.91Å; F431-T434 VanDerWaalsContact O-N 3.08Å; A432-T434 VanDerWaalsContact C-N 3.28Å; A432-T434 PolarHBondContact O-N 3.1Å
435	F	71.9	Confident	68.9	Low	11 Å²	11	33.9 Å²	33.9	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-92.3	-11.5	177.1	-66.2	-83.2	0	0	0	113.2	F431 A432 S433 L437 M657 D681 I684 L688	F431-F435 HydrophobicContact CD1-CD2 4.44Å; F431-F435 HydrophobicContact CD2-CE2 4.37Å; F431-F435 HydrophobicContact CE1-CD2 4.1Å; F431-F435 AromaticContact CE1-CE2 3.94Å; F431-F435 HydrophobicContact CE1-CE2 3.94Å; F431-F435 AromaticContact CE2-CE2 3.79Å; F431-F435 HydrophobicContact CE2-CE2 3.79Å; F431-F435 HydrophobicContact CZ-CD2 4.18Å; F431-F435 AromaticContact CZ-CE2 3.55Å; F431-F435 HydrophobicContact CZ-CE2 3.55Å; F431-F435 HydrophobicContact CZ-CZ 4.4Å; F431-F435 WeakPolarHBondContact O-CD2 2.73Å; A432-F435 PolarHBondContact O-N 3.32Å; S433-F435 VanDerWaalsContact C-N 3.31Å; S433-F435 PolarHBondContact O-N 3.28Å; F435-L437 HydrophobicContact CB-CD1 3.86Å; F435-L437 HydrophobicContact CB-CG 3.9Å; F435-M657 HydrophobicContact CD1-CE 3.9Å; F435-M657 HydrophobicContact CD2-CE 3.7Å; F435-M657 HydrophobicContact CE1-CE 3.67Å; F435-M657 HydrophobicContact CE2-CE 3.47Å; F435-M657 VanDerWaalsContact CE2-CE 3.47Å; F435-M657 HydrophobicContact CG-CE 3.91Å; F435-M657 HydrophobicContact CZ-CE 3.45Å; F435-M657 VanDerWaalsContact CZ-CE 3.45Å; F435-D681 HydrophobicContact CE1-CB 4.37Å; F435-D681 HydrophobicContact CZ-CB 4.01Å; F435-I684 HydrophobicContact CD1-CG2 4.17Å; F435-I684 HydrophobicContact CE1-CG2 4.4Å; F435-L688 HydrophobicContact CB-CD1 4.15Å; F435-L688 HydrophobicContact CD1-CD1 4.3Å; F435-L688 WeakPolarHBondContact O-CD1 3.41Å
436	G	67.3	Low	69.5	Low	7 Å²	7	34.2 Å²	34.2	7%	0.072	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	40.8	-171.1	0	0	0	0	0	112.3	A432 S433 L527 W530	A432-G436 PolarHBondContact O-N 2.73Å; S433-G436 PolarHBondContact O-N 3.4Å; G436-L527 WeakPolarHBondContact CA-O 3.23Å; G436-L527 PolarHBondContact N-O 3.44Å; G436-W530 WeakPolarHBondContact O-CB 3.29Å; G436-W530 PolarHBondContact O-N 2.94Å
437	L	77.2	Confident	70	Confident	12 Å²	12	31.9 Å²	31.9	6%	0.063	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-95.4	165.9	176.1	-77.9	176	0	0	0	110.7	A432 F435 P650 I653 L654 M657	A432-L437 PolarHBondContact O-N 3.34Å; F435-L437 HydrophobicContact CB-CD1 3.86Å; F435-L437 HydrophobicContact CB-CG 3.9Å; L437-P650 HydrophobicContact CD2-CB 4.47Å; L437-I653 HydrophobicContact CD1-CG2 4.31Å; L437-I653 HydrophobicContact CD2-CG2 4.49Å; L437-L654 HydrophobicContact CB-CD1 4.11Å; L437-L654 HydrophobicContact CD1-CB 4.24Å; L437-L654 HydrophobicContact CD1-CD1 3.92Å; L437-M657 HydrophobicContact CD1-SD 3.72Å
438	P	70.2	Confident	70.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-57.2	162.1	-178.1	17.9	-30	0	0	0	113.9	A432 P440 W530 P650 H651 L654	A432-P438 WeakPolarHBondContact CB-O 3.46Å; P438-P440 WeakPolarHBondContact O-CD 3.45Å; P438-W530 HydrophobicContact CB-CD2 3.88Å; P438-W530 HydrophobicContact CB-CE3 3.86Å; P438-W530 HydrophobicContact CB-CH2 3.61Å; P438-W530 HydrophobicContact CB-CZ2 3.61Å; P438-W530 HydrophobicContact CB-CZ3 3.72Å; P438-W530 HydrophobicContact CG-CD2 4.46Å; P438-W530 HydrophobicContact CG-CH2 4.41Å; P438-W530 HydrophobicContact CG-CZ2 3.95Å; P438-P650 HydrophobicContact CG-CB 4.01Å; P438-H651 WeakPolarHBondContact CB-NE2 3.31Å; P438-H651 HydrophobicContact CG-CB 4.33Å; P438-L654 HydrophobicContact CG-CD2 4.25Å; P438-L654 WeakPolarHBondContact O-CD2 3.37Å
439	N	68.8	Low	70.3	Confident	46 Å²	46	26.2 Å²	26.2	25%	0.246	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-65.9	123.3	173.6	-174.4	-10.5	0	0	0	110	I441 S442 Q493	N439-I441 PolarHBondContact O-N 2.87Å; N439-I441 VanDerWaalsContact O-N 3.14Å; N439-I441 PolarHBondContact OD1-N 2.86Å; N439-S442 PolarHBondContact O-N 2.74Å; N439-S442 PolarHBondContact O-OG 3.28Å; N439-Q493 VanDerWaalsContact ND2-CD 3.27Å; N439-Q493 PolarHBondContact ND2-NE2 2.85Å; N439-Q493 PolarHBondContact ND2-OE1 3.34Å
440	P	66	Low	70.2	Confident	8 Å²	8	23.9 Å²	23.9	5%	0.052	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.5	-179.7	29	-37.9	0	0	0	114.4	R428 Q429 P438 H445 L654 F658	R428-P440 HydrophobicContact CB-CB 4.21Å; R428-P440 HydrophobicContact CB-CG 3.61Å; Q429-P440 HydrophobicContact CG-CG 4.46Å; P438-P440 WeakPolarHBondContact O-CD 3.45Å; P440-H445 PolarHBondContact O-CD2 3.47Å; P440-L654 HydrophobicContact CB-CD2 4.06Å; P440-F658 HydrophobicContact CB-CE2 3.61Å; P440-F658 HydrophobicContact CB-CZ 3.84Å; P440-F658 HydrophobicContact CG-CE2 4.44Å; P440-F658 HydrophobicContact CG-CZ 4.18Å
441	I	65.4	Low	70	Confident	12 Å²	12	17.3 Å²	17.3	6%	0.062	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4	-179.8	-47.5	-177.9	0	0	0	111.3	Q429 N439 Q493 Y496 E497	Q429-I441 HydrophobicContact CG-CD1 4.25Å; N439-I441 PolarHBondContact O-N 2.87Å; N439-I441 VanDerWaalsContact O-N 3.14Å; N439-I441 PolarHBondContact OD1-N 2.86Å; I441-Q493 HydrophobicContact CG2-CG 4.29Å; I441-Y496 HydrophobicContact CG2-CG 4.42Å; I441-E497 HydrophobicContact CD1-CG 4.15Å
442	S	69.7	Low	69.4	Low	17 Å²	17	16.5 Å²	16.5	12%	0.119	10%	0.099	C	C	.	.	S	Bend	trans	-69	153	-176.3	80.7	0	0	0	0	112.9	N439 I444 H445 R446 D555	N439-S442 PolarHBondContact O-N 2.74Å; N439-S442 PolarHBondContact O-OG 3.28Å; S442-I444 PolarHBondContact O-N 3.3Å; S442-H445 WeakPolarHBondContact O-CB 3.45Å; S442-H445 PolarHBondContact O-N 3.27Å; S442-H445 VanDerWaalsContact O-N 3.15Å; S442-H445 PolarHBondContact OG-N 2.87Å; S442-H445 VanDerWaalsContact OG-N 3.07Å; S442-R446 PolarHBondContact O-N 2.95Å; S442-D555 VanDerWaalsContact CB-CG 3.47Å; S442-D555 WeakPolarHBondContact CB-OD1 3.47Å; S442-D555 WeakPolarHBondContact CB-OD2 3.4Å; S442-D555 VanDerWaalsContact OG-CG 3.26Å; S442-D555 PolarHBondContact OG-OD1 3.1Å; S442-D555 PolarHBondContact OG-OD2 3.1Å
443	L	70.7	Confident	68.5	Low	19 Å²	19	19.1 Å²	19.1	10%	0.099	11%	0.113	C	C	.	.	H	α-helix	trans	-56.3	-38.6	173.6	-176.7	65.6	0	0	0	111.1	L384 F385 R446 L447 L490 L558	L384-L443 HydrophobicContact CB-CD1 3.83Å; L384-L443 HydrophobicContact CD2-CD1 4.23Å; L384-L443 WeakPolarHBondContact O-CD1 3.49Å; F385-L443 HydrophobicContact CE1-CD1 4.44Å; F385-L443 HydrophobicContact CE1-CD2 3.97Å; F385-L443 HydrophobicContact CZ-CD2 4.33Å; L443-R446 WeakPolarHBondContact O-CB 3.29Å; L443-R446 PolarHBondContact O-N 3.31Å; L443-L447 PolarHBondContact O-N 3.23Å; L443-L490 HydrophobicContact CD2-CD2 4.11Å; L443-L558 HydrophobicContact CD2-CD1 4.04Å
444	I	75.2	Confident	67.7	Low	3 Å²	3	17.2 Å²	17.2	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-68.4	-36.3	179.1	-58.7	-59.2	0	0	0	111.5	S442 R446 L447 A448 L554 D555 L558 L648	S442-I444 PolarHBondContact O-N 3.3Å; I444-R446 VanDerWaalsContact C-N 3.33Å; I444-R446 PolarHBondContact O-N 2.95Å; I444-L447 WeakPolarHBondContact O-CB 3.05Å; I444-L447 PolarHBondContact O-N 3.32Å; I444-A448 PolarHBondContact O-N 3.09Å; I444-L554 HydrophobicContact CD1-CB 3.75Å; I444-L554 HydrophobicContact CD1-CD1 4.36Å; I444-L554 HydrophobicContact CG1-CB 3.79Å; I444-L554 HydrophobicContact CG2-CB 4.14Å; I444-L554 HydrophobicContact CG2-CD1 4.36Å; I444-D555 WeakPolarHBondContact CB-OD1 3.43Å; I444-D555 WeakPolarHBondContact CG1-OD1 3.24Å; I444-L558 HydrophobicContact CD1-CD1 3.48Å; I444-L558 VanDerWaalsContact CD1-CD1 3.48Å; I444-L558 HydrophobicContact CD1-CG 4.41Å; I444-L558 HydrophobicContact CG1-CD1 3.97Å; I444-L648 HydrophobicContact CG2-CD2 3.43Å; I444-L648 VanDerWaalsContact CG2-CD2 3.43Å
445	H	72	Confident	66.7	Low	5 Å²	5	18.3 Å²	18.3	2%	0.023	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-45.1	173.1	-167.9	67.3	0	0	0	111.3	P440 S442 L447 A448 V449 H651 E655	P440-H445 PolarHBondContact O-CD2 3.47Å; S442-H445 WeakPolarHBondContact O-CB 3.45Å; S442-H445 PolarHBondContact O-N 3.27Å; S442-H445 VanDerWaalsContact O-N 3.15Å; S442-H445 PolarHBondContact OG-N 2.87Å; S442-H445 VanDerWaalsContact OG-N 3.07Å; H445-L447 VanDerWaalsContact C-N 3.33Å; H445-L447 PolarHBondContact O-N 3.18Å; H445-A448 WeakPolarHBondContact O-CB 3.18Å; H445-A448 PolarHBondContact O-N 3.42Å; H445-V449 VanDerWaalsContact O-CG2 3.25Å; H445-V449 WeakPolarHBondContact O-CG2 3.02Å; H445-V449 PolarHBondContact O-N 3.12Å; H445-H651 PolarHBondContact N-CD2 3.06Å; H445-E655 IonicContact CE1-OE2 3.3Å; H445-E655 IonicContact NE2-OE2 3.73Å; H445-E655 PolarHBondContact NE2-OE2 3.14Å
446	R	68.5	Low	65.5	Low	28 Å²	28	23.5 Å²	23.5	11%	0.106	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-41.9	176.8	-64.3	179.9	178.9	-136.4	-6.3	112.2	F383 L384 S442 L443 I444 A448 V449 I450 Y496	F383-R446 HydrophobicContact CE1-CB 4.25Å; F383-R446 HydrophobicContact CE1-CG 4.27Å; F383-R446 PolarHBondContact O-NH1 2.99Å; L384-R446 HydrophobicContact CD2-CB 3.75Å; S442-R446 PolarHBondContact O-N 2.95Å; L443-R446 WeakPolarHBondContact O-CB 3.29Å; L443-R446 PolarHBondContact O-N 3.31Å; I444-R446 VanDerWaalsContact C-N 3.33Å; I444-R446 PolarHBondContact O-N 2.95Å; R446-A448 VanDerWaalsContact C-N 3.33Å; R446-A448 PolarHBondContact O-N 3.25Å; R446-V449 PolarHBondContact O-N 3.21Å; R446-I450 WeakPolarHBondContact O-CG1 3.28Å; R446-I450 PolarHBondContact O-N 3.32Å; R446-Y496 VanDerWaalsContact CZ-CD1 3.43Å
447	L	72.2	Confident	64.3	Low	3 Å²	3	28.8 Å²	28.8	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-44.3	175.2	-178.6	67.7	0	0	0	111.2	L384 L443 I444 H445 V449 I450 I451 M472 F473 L476 L648	L384-L447 HydrophobicContact CD1-CD1 3.76Å; L384-L447 HydrophobicContact CD2-CB 3.88Å; L384-L447 HydrophobicContact CD2-CD1 4.46Å; L443-L447 PolarHBondContact O-N 3.23Å; I444-L447 WeakPolarHBondContact O-CB 3.05Å; I444-L447 PolarHBondContact O-N 3.32Å; H445-L447 VanDerWaalsContact C-N 3.33Å; H445-L447 PolarHBondContact O-N 3.18Å; L447-V449 PolarHBondContact O-N 2.93Å; L447-I450 PolarHBondContact O-N 2.96Å; L447-I451 HydrophobicContact CD1-CD1 4.05Å; L447-I451 HydrophobicContact CD1-CG1 4.49Å; L447-I451 HydrophobicContact CG-CD1 3.88Å; L447-I451 WeakPolarHBondContact O-CG1 3.36Å; L447-I451 PolarHBondContact O-N 2.78Å; L447-M472 HydrophobicContact CD1-CE 3.94Å; L447-F473 HydrophobicContact CD2-CE1 3.87Å; L447-F473 HydrophobicContact CD2-CZ 4.25Å; L447-L476 HydrophobicContact CD2-CD2 3.83Å; L447-L648 HydrophobicContact CD2-CD2 4.3Å
448	A	70	Confident	62.5	Low	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-43.7	175.8	0	0	0	0	0	112	I444 H445 R446 I451 A452 L648 H651 I652	I444-A448 PolarHBondContact O-N 3.09Å; H445-A448 WeakPolarHBondContact O-CB 3.18Å; H445-A448 PolarHBondContact O-N 3.42Å; R446-A448 VanDerWaalsContact C-N 3.33Å; R446-A448 PolarHBondContact O-N 3.25Å; A448-I451 PolarHBondContact O-N 3.11Å; A448-A452 VanDerWaalsContact O-CB 3.3Å; A448-A452 WeakPolarHBondContact O-CB 3.5Å; A448-A452 PolarHBondContact O-N 3.2Å; A448-L648 HydrophobicContact CB-CB 4.47Å; A448-L648 HydrophobicContact CB-CD2 4.27Å; A448-H651 HydrophobicContact CB-CB 3.56Å; A448-I652 HydrophobicContact CB-CG1 4.1Å
449	V	64.5	Low	61	Low	25 Å²	25	41.9 Å²	41.9	15%	0.152	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-45.6	176.8	174.5	0	0	0	0	111.3	H445 R446 L447 A452 N453 E655	H445-V449 VanDerWaalsContact O-CG2 3.25Å; H445-V449 WeakPolarHBondContact O-CG2 3.02Å; H445-V449 PolarHBondContact O-N 3.12Å; R446-V449 PolarHBondContact O-N 3.21Å; L447-V449 PolarHBondContact O-N 2.93Å; V449-A452 PolarHBondContact O-N 3.04Å; V449-N453 WeakPolarHBondContact O-CB 3.5Å; V449-N453 VanDerWaalsContact O-CG 3.3Å; V449-N453 PolarHBondContact O-N 3.2Å; V449-N453 PolarHBondContact O-ND2 2.81Å; V449-E655 HydrophobicContact CG2-CB 4.2Å; V449-E655 HydrophobicContact CG2-CG 3.82Å
450	I	64.7	Low	59.8	Low	11 Å²	11	42 Å²	42	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-47.5	178	-67.5	161.1	0	0	0	110.6	F380 F383 L384 R446 L447 A452 N453 L454 M472	F380-I450 HydrophobicContact CB-CG2 3.99Å; F380-I450 HydrophobicContact CD1-CG2 4.13Å; F380-I450 HydrophobicContact CG-CG2 4.23Å; F380-I450 VanDerWaalsContact O-CD1 3.31Å; F380-I450 WeakPolarHBondContact O-CD1 3.45Å; F383-I450 HydrophobicContact CB-CD1 4.41Å; F383-I450 HydrophobicContact CD1-CD1 3.81Å; F383-I450 HydrophobicContact CD1-CG1 4.28Å; L384-I450 HydrophobicContact CD2-CD1 3.7Å; L384-I450 HydrophobicContact CG-CD1 3.84Å; R446-I450 WeakPolarHBondContact O-CG1 3.28Å; R446-I450 PolarHBondContact O-N 3.32Å; L447-I450 PolarHBondContact O-N 2.96Å; I450-A452 PolarHBondContact O-N 3.14Å; I450-N453 PolarHBondContact O-N 3.16Å; I450-L454 HydrophobicContact CG2-CD1 3.91Å; I450-L454 HydrophobicContact CG2-CG 4.34Å; I450-L454 WeakPolarHBondContact O-CG 3.49Å; I450-L454 PolarHBondContact O-N 2.98Å; I450-M472 HydrophobicContact CB-CE 4.33Å; I450-M472 HydrophobicContact CG2-CE 3.53Å; I450-M472 HydrophobicContact CG2-SD 4.45Å
451	I	66.2	Low	58.8	Low	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-44.1	179.6	-70.5	167.8	0	0	0	110.7	L447 A448 N453 L454 L455 I469 M472 F473 L648	L447-I451 HydrophobicContact CD1-CD1 4.05Å; L447-I451 HydrophobicContact CD1-CG1 4.49Å; L447-I451 HydrophobicContact CG-CD1 3.88Å; L447-I451 WeakPolarHBondContact O-CG1 3.36Å; L447-I451 PolarHBondContact O-N 2.78Å; A448-I451 PolarHBondContact O-N 3.11Å; I451-N453 PolarHBondContact O-N 2.91Å; I451-L454 PolarHBondContact O-N 3.37Å; I451-L455 HydrophobicContact CG2-CD1 4.23Å; I451-L455 WeakPolarHBondContact O-CG 3.35Å; I451-L455 PolarHBondContact O-N 3.38Å; I451-L455 VanDerWaalsContact O-N 3.09Å; I451-I469 HydrophobicContact CD1-CG2 4.3Å; I451-I469 HydrophobicContact CG2-CD1 3.99Å; I451-I469 HydrophobicContact CG2-CG1 4.15Å; I451-M472 HydrophobicContact CG1-CE 4.33Å; I451-M472 HydrophobicContact CG1-SD 4.27Å; I451-F473 HydrophobicContact CD1-CE2 4.1Å; I451-F473 HydrophobicContact CD1-CZ 4.19Å; I451-L648 HydrophobicContact CD1-CD1 3.43Å; I451-L648 VanDerWaalsContact CD1-CD1 3.43Å
452	A	59.9	Low	58.2	Low	24 Å²	24	54.8 Å²	54.8	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-44.9	176.3	0	0	0	0	0	111.5	A448 V449 I450 L455 V456	A448-A452 VanDerWaalsContact O-CB 3.3Å; A448-A452 WeakPolarHBondContact O-CB 3.5Å; A448-A452 PolarHBondContact O-N 3.2Å; V449-A452 PolarHBondContact O-N 3.04Å; I450-A452 PolarHBondContact O-N 3.14Å; A452-L455 PolarHBondContact O-N 3.38Å; A452-V456 WeakPolarHBondContact O-CG2 3.49Å; A452-V456 PolarHBondContact O-N 3.4Å
453	N	54.9	Low	57.7	Low	58 Å²	58	59 Å²	59	31%	0.31	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-40.8	177	-74.5	-26	0	0	0	112.3	V449 I450 I451 L455 V456 Y457	V449-N453 WeakPolarHBondContact O-CB 3.5Å; V449-N453 VanDerWaalsContact O-CG 3.3Å; V449-N453 PolarHBondContact O-N 3.2Å; V449-N453 PolarHBondContact O-ND2 2.81Å; I450-N453 PolarHBondContact O-N 3.16Å; I451-N453 PolarHBondContact O-N 2.91Å; N453-L455 VanDerWaalsContact C-N 3.29Å; N453-L455 PolarHBondContact O-N 3.42Å; N453-V456 PolarHBondContact O-N 2.85Å; N453-V456 VanDerWaalsContact O-N 3.07Å; N453-Y457 HydrophobicContact CB-CD2 4.34Å; N453-Y457 WeakPolarHBondContact O-CB 3.36Å; N453-Y457 PolarHBondContact O-N 3.35Å
454	L	54	Low	57.2	Low	13 Å²	13	60.4 Å²	60.4	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-38.5	176.5	-76.6	169.3	0	0	0	112.3	L372 F380 I450 I451 V456 L468 M472	L372-L454 HydrophobicContact CD1-CD2 4.28Å; F380-L454 HydrophobicContact CD2-CD2 4.24Å; F380-L454 HydrophobicContact CE2-CD2 3.94Å; F380-L454 HydrophobicContact CZ-CD2 4.29Å; I450-L454 HydrophobicContact CG2-CD1 3.91Å; I450-L454 HydrophobicContact CG2-CG 4.34Å; I450-L454 WeakPolarHBondContact O-CG 3.49Å; I450-L454 PolarHBondContact O-N 2.98Å; I451-L454 PolarHBondContact O-N 3.37Å; L454-V456 VanDerWaalsContact C-N 3.26Å; L454-V456 PolarHBondContact O-N 3.32Å; L454-L468 HydrophobicContact CD1-CD2 3.91Å; L454-L468 HydrophobicContact CD2-CD2 4.03Å; L454-L468 HydrophobicContact CG-CD2 4.4Å; L454-M472 HydrophobicContact CD1-CE 4.25Å; L454-M472 HydrophobicContact CD1-SD 3.36Å; L454-M472 WeakPolarHBondContact CD1-SD 3.43Å
455	L	50.6	Low	56.5	Low	82 Å²	82	60.7 Å²	60.7	43%	0.429	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-26.8	175.7	-70.3	169.2	0	0	0	112.7	I451 A452 N453 C465 I469	I451-L455 HydrophobicContact CG2-CD1 4.23Å; I451-L455 WeakPolarHBondContact O-CG 3.35Å; I451-L455 PolarHBondContact O-N 3.38Å; I451-L455 VanDerWaalsContact O-N 3.09Å; A452-L455 PolarHBondContact O-N 3.38Å; N453-L455 VanDerWaalsContact C-N 3.29Å; N453-L455 PolarHBondContact O-N 3.42Å; L455-C465 HydrophobicContact CD2-CB 3.85Å; L455-I469 HydrophobicContact CD2-CD1 4.24Å
456	V	47.1	Very low	56.3	Low	119 Å²	119	62.7 Å²	62.7	72%	0.721	31%	0.307	S	S	*	.	H	α-helix	trans	-92.4	-39.8	-178.1	175.2	0	0	0	0	112.5	A452 N453 L454 K458	A452-V456 WeakPolarHBondContact O-CG2 3.49Å; A452-V456 PolarHBondContact O-N 3.4Å; N453-V456 PolarHBondContact O-N 2.85Å; N453-V456 VanDerWaalsContact O-N 3.07Å; L454-V456 VanDerWaalsContact C-N 3.26Å; L454-V456 PolarHBondContact O-N 3.32Å; V456-K458 VanDerWaalsContact C-N 3.35Å; V456-K458 PolarHBondContact O-N 3Å
457	Y	42.5	Very low	56.2	Low	118 Å²	118	66.3 Å²	66.3	46%	0.463	33%	0.328	S	S	.	.	H	α-helix	trans	-74.8	-17.4	-165.7	-105.7	-83.2	0	0	0	115.3	L402 N453	L402-Y457 HydrophobicContact CD2-CE2 3.99Å; L402-Y457 WeakPolarHBondContact CD2-OH 3.44Å; L402-Y457 WeakPolarHBondContact CG-OH 3.25Å; N453-Y457 HydrophobicContact CB-CD2 4.34Å; N453-Y457 WeakPolarHBondContact O-CB 3.36Å; N453-Y457 PolarHBondContact O-N 3.35Å
458	K	39.2	Very low	55.9	Low	114 Å²	114	66.6 Å²	66.6	50%	0.496	33%	0.33	S	S	.	.	S	Bend	trans	-142.2	138	-174.5	-72.9	-172.3	175.1	-176.1	0	111.4	V456 Y460	V456-K458 VanDerWaalsContact C-N 3.35Å; V456-K458 PolarHBondContact O-N 3Å; K458-Y460 HydrophobicContact CB-CD2 3.43Å; K458-Y460 VanDerWaalsContact CB-CD2 3.43Å; K458-Y460 HydrophobicContact CB-CE2 3.29Å; K458-Y460 HydrophobicContact CB-CG 4.18Å; K458-Y460 HydrophobicContact CD-CD2 4.49Å; K458-Y460 HydrophobicContact CD-CE1 4.45Å; K458-Y460 HydrophobicContact CD-CE2 3.5Å; K458-Y460 VanDerWaalsContact CD-CZ 3.46Å; K458-Y460 WeakPolarHBondContact CD-OH 3.36Å; K458-Y460 HydrophobicContact CG-CE2 3.94Å; K458-Y460 PolarHBondContact O-N 3.16Å
459	H	39	Very low	56	Low	173 Å²	173	66.9 Å²	66.9	80%	0.801	33%	0.331	S	S	*	.			trans	-67.3	48.5	172.4	-68.5	-62.8	0	0	0	112.2
460	Y	43.6	Very low	56.5	Low	50 Å²	50	68.8 Å²	68.8	20%	0.196	34%	0.34	C	S	.	.			trans	-70	142.7	171.3	-69.4	-59.8	0	0	0	109.4	L372 K458 D464 C465	L372-Y460 HydrophobicContact CD1-CE2 4.25Å; L372-Y460 WeakPolarHBondContact CD1-OH 3.42Å; L372-Y460 WeakPolarHBondContact CG-OH 3.15Å; K458-Y460 HydrophobicContact CB-CD2 3.43Å; K458-Y460 VanDerWaalsContact CB-CD2 3.43Å; K458-Y460 HydrophobicContact CB-CE2 3.29Å; K458-Y460 HydrophobicContact CB-CG 4.18Å; K458-Y460 HydrophobicContact CD-CD2 4.49Å; K458-Y460 HydrophobicContact CD-CE1 4.45Å; K458-Y460 HydrophobicContact CD-CE2 3.5Å; K458-Y460 VanDerWaalsContact CD-CZ 3.46Å; K458-Y460 WeakPolarHBondContact CD-OH 3.36Å; K458-Y460 HydrophobicContact CG-CE2 3.94Å; K458-Y460 PolarHBondContact O-N 3.16Å; Y460-D464 HydrophobicContact CD1-CB 4.43Å; Y460-C465 WeakPolarHBondContact CB-SG 3.36Å
461	E	45.3	Very low	56.9	Low	138 Å²	138	70.2 Å²	70.2	65%	0.645	35%	0.351	S	S	*	.			trans	-61.1	142.4	163.1	-66.7	-169.1	168.1	0	0	108.5	N463 D464 C465	E461-N463 PolarHBondContact O-N 3.35Å; E461-D464 PolarHBondContact O-N 2.78Å; E461-C465 PolarHBondContact O-N 2.88Å
462	F	53.3	Low	57.2	Low	149 Å²	149	70.2 Å²	70.2	65%	0.654	35%	0.351	S	S	*	.	H	α-helix	trans	-50.1	-33.7	-177.6	-178.8	-104.5	0	0	0	112.7	C465 L466	F462-C465 WeakPolarHBondContact O-CB 3.3Å; F462-L466 HydrophobicContact CD1-CD1 3.86Å; F462-L466 HydrophobicContact CD1-CG 4.39Å; F462-L466 HydrophobicContact CE1-CD1 3.56Å; F462-L466 HydrophobicContact CE1-CG 4.15Å; F462-L466 HydrophobicContact CZ-CD1 4.22Å; F462-L466 HydrophobicContact CZ-CD2 4.38Å; F462-L466 HydrophobicContact CZ-CG 4.41Å; F462-L466 WeakPolarHBondContact O-CG 3.29Å; F462-L466 PolarHBondContact O-N 2.95Å
463	N	58.7	Low	58.1	Low	107 Å²	107	69.8 Å²	69.8	57%	0.572	35%	0.345	S	S	*	.	H	α-helix	trans	-67.7	-38.4	177	-66.8	-25.2	0	0	0	113.6	E461 L466 L467	E461-N463 PolarHBondContact O-N 3.35Å; N463-L466 WeakPolarHBondContact O-CB 3.36Å; N463-L466 PolarHBondContact O-N 3Å; N463-L467 WeakPolarHBondContact O-CG 3.41Å; N463-L467 PolarHBondContact O-N 2.95Å
464	D	59.8	Low	59.2	Low	48 Å²	48	70.9 Å²	70.9	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-69.9	-38.7	177.7	-68.7	-31	0	0	0	110.9	Y460 E461 L466 L467 L468	Y460-D464 HydrophobicContact CD1-CB 4.43Å; E461-D464 PolarHBondContact O-N 2.78Å; D464-L466 VanDerWaalsContact C-N 3.31Å; D464-L466 PolarHBondContact O-N 3.01Å; D464-L467 PolarHBondContact O-N 3.13Å; D464-L468 WeakPolarHBondContact O-CB 3.45Å; D464-L468 PolarHBondContact O-N 2.88Å
465	C	60.8	Low	60.3	Low	8 Å²	8	73.9 Å²	73.9	5%	0.054	36%	0.364	C	S	.	.	H	α-helix	trans	-57.5	-44.1	169.7	-76.8	0	0	0	0	111.6	L455 Y460 E461 F462 L467 L468 I469	L455-C465 HydrophobicContact CD2-CB 3.85Å; Y460-C465 WeakPolarHBondContact CB-SG 3.36Å; E461-C465 PolarHBondContact O-N 2.88Å; F462-C465 WeakPolarHBondContact O-CB 3.3Å; C465-L467 PolarHBondContact O-N 3.13Å; C465-L468 WeakPolarHBondContact O-CB 3.44Å; C465-L468 PolarHBondContact O-N 3.1Å; C465-I469 WeakPolarHBondContact O-CB 3.41Å; C465-I469 WeakPolarHBondContact O-CD1 3.28Å; C465-I469 WeakPolarHBondContact O-CG1 3.3Å; C465-I469 PolarHBondContact O-N 3.08Å
466	L	66.6	Low	61.7	Low	47 Å²	47	70.7 Å²	70.7	25%	0.246	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-41.3	178.3	-72.7	174.1	0	0	0	112.3	F462 N463 D464 L468 I469 N470 L641 L645	F462-L466 HydrophobicContact CD1-CD1 3.86Å; F462-L466 HydrophobicContact CD1-CG 4.39Å; F462-L466 HydrophobicContact CE1-CD1 3.56Å; F462-L466 HydrophobicContact CE1-CG 4.15Å; F462-L466 HydrophobicContact CZ-CD1 4.22Å; F462-L466 HydrophobicContact CZ-CD2 4.38Å; F462-L466 HydrophobicContact CZ-CG 4.41Å; F462-L466 WeakPolarHBondContact O-CG 3.29Å; F462-L466 PolarHBondContact O-N 2.95Å; N463-L466 WeakPolarHBondContact O-CB 3.36Å; N463-L466 PolarHBondContact O-N 3Å; D464-L466 VanDerWaalsContact C-N 3.31Å; D464-L466 PolarHBondContact O-N 3.01Å; L466-L468 VanDerWaalsContact C-N 3.32Å; L466-I469 PolarHBondContact O-N 3.42Å; L466-N470 VanDerWaalsContact O-CB 3.26Å; L466-N470 WeakPolarHBondContact O-CB 3.26Å; L466-N470 PolarHBondContact O-N 2.81Å; L466-L641 HydrophobicContact CB-CD2 4.35Å; L466-L641 HydrophobicContact CD2-CD2 3.94Å; L466-L645 HydrophobicContact CD2-CD1 4.4Å
467	L	67.5	Low	63.3	Low	104 Å²	104	66.7 Å²	66.7	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-42.8	175.2	-72.9	170.1	0	0	0	111.4	N463 D464 C465 N470 S471	N463-L467 WeakPolarHBondContact O-CG 3.41Å; N463-L467 PolarHBondContact O-N 2.95Å; D464-L467 PolarHBondContact O-N 3.13Å; C465-L467 PolarHBondContact O-N 3.13Å; L467-N470 WeakPolarHBondContact O-CB 3.02Å; L467-N470 PolarHBondContact O-N 2.86Å; L467-S471 PolarHBondContact O-N 3.27Å
468	L	65.9	Low	65.1	Low	10 Å²	10	64.5 Å²	64.5	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-65	-48.5	177.5	-177.8	71.4	0	0	0	112.3	L372 V377 L454 D464 C465 L466 N470 S471 M472	L372-L468 HydrophobicContact CB-CD1 3.93Å; L372-L468 HydrophobicContact CD1-CD1 3.39Å; L372-L468 HydrophobicContact CD1-CD2 3.19Å; L372-L468 HydrophobicContact CD1-CG 3.88Å; L372-L468 HydrophobicContact CG-CD1 4.27Å; V377-L468 HydrophobicContact CG2-CD1 3.54Å; L454-L468 HydrophobicContact CD1-CD2 3.91Å; L454-L468 HydrophobicContact CD2-CD2 4.03Å; L454-L468 HydrophobicContact CG-CD2 4.4Å; D464-L468 WeakPolarHBondContact O-CB 3.45Å; D464-L468 PolarHBondContact O-N 2.88Å; C465-L468 WeakPolarHBondContact O-CB 3.44Å; C465-L468 PolarHBondContact O-N 3.1Å; L466-L468 VanDerWaalsContact C-N 3.32Å; L468-N470 PolarHBondContact O-N 2.86Å; L468-S471 CarbonylContact O-C 3.58Å; L468-S471 WeakPolarHBondContact O-CA 3.45Å; L468-S471 VanDerWaalsContact O-CB 3.29Å; L468-S471 WeakPolarHBondContact O-CB 3.49Å; L468-S471 PolarHBondContact O-N 3.25Å; L468-M472 WeakPolarHBondContact O-CG 3.38Å; L468-M472 PolarHBondContact O-N 2.99Å
469	I	71.6	Confident	67	Low	6 Å²	6	61.7 Å²	61.7	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-59.8	-42	177.5	-66.9	164.2	0	0	0	109.3	I451 L455 C465 L466 S471 M472 F473 L641 L645	I451-I469 HydrophobicContact CD1-CG2 4.3Å; I451-I469 HydrophobicContact CG2-CD1 3.99Å; I451-I469 HydrophobicContact CG2-CG1 4.15Å; L455-I469 HydrophobicContact CD2-CD1 4.24Å; C465-I469 WeakPolarHBondContact O-CB 3.41Å; C465-I469 WeakPolarHBondContact O-CD1 3.28Å; C465-I469 WeakPolarHBondContact O-CG1 3.3Å; C465-I469 PolarHBondContact O-N 3.08Å; L466-I469 PolarHBondContact O-N 3.42Å; I469-S471 VanDerWaalsContact C-N 3.33Å; I469-S471 PolarHBondContact O-N 3.47Å; I469-M472 WeakPolarHBondContact O-CB 3.17Å; I469-M472 PolarHBondContact O-N 3.31Å; I469-F473 HydrophobicContact CG2-CD2 3.77Å; I469-F473 HydrophobicContact CG2-CE2 3.58Å; I469-F473 VanDerWaalsContact O-CD2 3.24Å; I469-F473 WeakPolarHBondContact O-CD2 3.34Å; I469-F473 PolarHBondContact O-N 2.79Å; I469-L641 HydrophobicContact CG2-CD1 3.87Å; I469-L645 HydrophobicContact CG2-CD2 4.16Å
470	N	75.1	Confident	69.1	Low	65 Å²	65	53.6 Å²	53.6	35%	0.348	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-41.7	174.3	-166.8	54.9	0	0	0	111.9	L466 L467 L468 M472 F473 N474 L641	L466-N470 VanDerWaalsContact O-CB 3.26Å; L466-N470 WeakPolarHBondContact O-CB 3.26Å; L466-N470 PolarHBondContact O-N 2.81Å; L467-N470 WeakPolarHBondContact O-CB 3.02Å; L467-N470 PolarHBondContact O-N 2.86Å; L468-N470 PolarHBondContact O-N 2.86Å; N470-M472 VanDerWaalsContact C-N 3.35Å; N470-M472 PolarHBondContact O-N 3.23Å; N470-F473 PolarHBondContact O-N 2.93Å; N470-N474 VanDerWaalsContact O-CG 3.24Å; N470-N474 PolarHBondContact O-N 3.5Å; N470-N474 PolarHBondContact O-ND2 3.37Å; N470-L641 HydrophobicContact CB-CD1 4.26Å; N470-L641 HydrophobicContact CB-CD2 4.18Å
471	S	73.2	Confident	71	Confident	40 Å²	40	54.7 Å²	54.7	28%	0.28	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-43	173.5	-162.5	0	0	0	0	111.8	L467 L468 I469 F473 N474 E475	L467-S471 PolarHBondContact O-N 3.27Å; L468-S471 CarbonylContact O-C 3.58Å; L468-S471 WeakPolarHBondContact O-CA 3.45Å; L468-S471 VanDerWaalsContact O-CB 3.29Å; L468-S471 WeakPolarHBondContact O-CB 3.49Å; L468-S471 PolarHBondContact O-N 3.25Å; I469-S471 VanDerWaalsContact C-N 3.33Å; I469-S471 PolarHBondContact O-N 3.47Å; S471-F473 PolarHBondContact O-N 2.9Å; S471-N474 PolarHBondContact O-N 3.19Å; S471-E475 WeakPolarHBondContact O-CG 3.47Å; S471-E475 PolarHBondContact O-N 3.46Å
472	M	71.9	Confident	72.7	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-41.2	177	-70.8	-177.8	71.1	0	0	112.6	V377 L447 I450 I451 L454 L468 I469 N470 E475 L476	V377-M472 HydrophobicContact CG1-CG 4.08Å; L447-M472 HydrophobicContact CD1-CE 3.94Å; I450-M472 HydrophobicContact CB-CE 4.33Å; I450-M472 HydrophobicContact CG2-CE 3.53Å; I450-M472 HydrophobicContact CG2-SD 4.45Å; I451-M472 HydrophobicContact CG1-CE 4.33Å; I451-M472 HydrophobicContact CG1-SD 4.27Å; L454-M472 HydrophobicContact CD1-CE 4.25Å; L454-M472 HydrophobicContact CD1-SD 3.36Å; L454-M472 WeakPolarHBondContact CD1-SD 3.43Å; L468-M472 WeakPolarHBondContact O-CG 3.38Å; L468-M472 PolarHBondContact O-N 2.99Å; I469-M472 WeakPolarHBondContact O-CB 3.17Å; I469-M472 PolarHBondContact O-N 3.31Å; N470-M472 VanDerWaalsContact C-N 3.35Å; N470-M472 PolarHBondContact O-N 3.23Å; M472-E475 PolarHBondContact O-N 3.45Å; M472-L476 WeakPolarHBondContact O-CB 3.24Å; M472-L476 PolarHBondContact O-N 2.88Å
473	F	79.2	Confident	74.1	Confident	15 Å²	15	45.4 Å²	45.4	7%	0.066	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-36.1	175.2	-81.3	-70.3	0	0	0	112.4	L447 I451 I469 N470 S471 L476 Y477 L641 H644 L648	L447-F473 HydrophobicContact CD2-CE1 3.87Å; L447-F473 HydrophobicContact CD2-CZ 4.25Å; I451-F473 HydrophobicContact CD1-CE2 4.1Å; I451-F473 HydrophobicContact CD1-CZ 4.19Å; I469-F473 HydrophobicContact CG2-CD2 3.77Å; I469-F473 HydrophobicContact CG2-CE2 3.58Å; I469-F473 VanDerWaalsContact O-CD2 3.24Å; I469-F473 WeakPolarHBondContact O-CD2 3.34Å; I469-F473 PolarHBondContact O-N 2.79Å; N470-F473 PolarHBondContact O-N 2.93Å; S471-F473 PolarHBondContact O-N 2.9Å; F473-L476 HydrophobicContact CD1-CD2 4.25Å; F473-L476 PolarHBondContact O-N 3.48Å; F473-Y477 WeakPolarHBondContact O-CB 3.39Å; F473-Y477 PolarHBondContact O-N 3.44Å; F473-L641 HydrophobicContact CD2-CD1 3.7Å; F473-L641 HydrophobicContact CE2-CD1 4.11Å; F473-H644 HydrophobicContact CD1-CB 4.21Å; F473-H644 AromaticContact CD1-CD2 3.84Å; F473-H644 HydrophobicContact CD2-CB 4.34Å; F473-H644 HydrophobicContact CE1-CB 3.73Å; F473-H644 AromaticContact CE1-CD2 3.83Å; F473-H644 AromaticContact CE1-CG 3.98Å; F473-H644 HydrophobicContact CE2-CB 3.87Å; F473-H644 HydrophobicContact CZ-CB 3.54Å; F473-L648 HydrophobicContact CE2-CD1 4.43Å; F473-L648 HydrophobicContact CZ-CD1 3.7Å; F473-L648 HydrophobicContact CZ-CG 4.41Å
474	N	78.5	Confident	75.4	Confident	80 Å²	80	42.2 Å²	42.2	43%	0.428	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-44	174.3	-70.7	-27.3	0	0	0	111.7	N470 S471 Y477 I478	N470-N474 VanDerWaalsContact O-CG 3.24Å; N470-N474 PolarHBondContact O-N 3.5Å; N470-N474 PolarHBondContact O-ND2 3.37Å; S471-N474 PolarHBondContact O-N 3.19Å; N474-Y477 WeakPolarHBondContact O-CB 3.48Å; N474-Y477 PolarHBondContact O-N 3.07Å; N474-I478 VanDerWaalsContact O-CG1 3.29Å; N474-I478 WeakPolarHBondContact O-CG1 3.31Å; N474-I478 PolarHBondContact O-N 3.32Å
475	E	76.1	Confident	76.4	Confident	76 Å²	76	44.8 Å²	44.8	36%	0.355	23%	0.228	S	C	.	.	H	α-helix	trans	-67.2	-39.6	176.2	-68.8	-60.3	151.8	0	0	112	L381 S471 M472 Y477 I478 E479	L381-E475 HydrophobicContact CD1-CB 3.33Å; L381-E475 HydrophobicContact CD1-CG 3.82Å; S471-E475 WeakPolarHBondContact O-CG 3.47Å; S471-E475 PolarHBondContact O-N 3.46Å; M472-E475 PolarHBondContact O-N 3.45Å; E475-Y477 VanDerWaalsContact C-N 3.26Å; E475-Y477 PolarHBondContact O-N 3.15Å; E475-I478 PolarHBondContact O-N 3.32Å; E475-E479 WeakPolarHBondContact O-CB 3.43Å; E475-E479 PolarHBondContact O-N 3.41Å
476	L	79.7	Confident	77.4	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-42.7	170.9	176.7	65.6	0	0	0	111.1	F385 L447 M472 F473 E479 L480	F385-L476 HydrophobicContact CE2-CD1 4.31Å; F385-L476 HydrophobicContact CZ-CD1 3.79Å; L447-L476 HydrophobicContact CD2-CD2 3.83Å; M472-L476 WeakPolarHBondContact O-CB 3.24Å; M472-L476 PolarHBondContact O-N 2.88Å; F473-L476 HydrophobicContact CD1-CD2 4.25Å; F473-L476 PolarHBondContact O-N 3.48Å; L476-E479 PolarHBondContact O-N 3.04Å; L476-L480 HydrophobicContact CD1-CD1 4.49Å; L476-L480 HydrophobicContact CG-CD1 4.24Å; L476-L480 WeakPolarHBondContact O-CB 3.32Å; L476-L480 VanDerWaalsContact O-CG 3.24Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3.36Å
477	Y	82	Confident	78.1	Confident	34 Å²	34	52 Å²	52	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-64.2	-45	175.5	172.5	-94.3	0	0	0	112.1	F473 N474 E475 E479 L480 Q481 L633 L636 K637	F473-Y477 WeakPolarHBondContact O-CB 3.39Å; F473-Y477 PolarHBondContact O-N 3.44Å; N474-Y477 WeakPolarHBondContact O-CB 3.48Å; N474-Y477 PolarHBondContact O-N 3.07Å; E475-Y477 VanDerWaalsContact C-N 3.26Å; E475-Y477 PolarHBondContact O-N 3.15Å; Y477-E479 VanDerWaalsContact C-N 3.32Å; Y477-E479 PolarHBondContact O-N 3.06Å; Y477-L480 PolarHBondContact O-N 3.22Å; Y477-Q481 WeakPolarHBondContact O-CB 3.17Å; Y477-Q481 PolarHBondContact O-N 3.08Å; Y477-L633 HydrophobicContact CD2-CD2 4.42Å; Y477-L633 HydrophobicContact CE2-CB 4.04Å; Y477-L633 HydrophobicContact CE2-CD2 4.13Å; Y477-L633 VanDerWaalsContact CE2-O 3.3Å; Y477-L633 WeakPolarHBondContact CE2-O 3.3Å; Y477-L636 HydrophobicContact CD2-CB 4.47Å; Y477-K637 HydrophobicContact CD2-CB 4.28Å; Y477-K637 HydrophobicContact CE1-CD 4.2Å; Y477-K637 HydrophobicContact CE2-CB 3.79Å; Y477-K637 HydrophobicContact CE2-CD 4.43Å; Y477-K637 HydrophobicContact CE2-CG 4.44Å
478	I	79.7	Confident	78.5	Confident	72 Å²	72	49.9 Å²	49.9	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-44	177.2	-69.3	163.8	0	0	0	110.3	N474 E475 Q481 L482	N474-I478 VanDerWaalsContact O-CG1 3.29Å; N474-I478 WeakPolarHBondContact O-CG1 3.31Å; N474-I478 PolarHBondContact O-N 3.32Å; E475-I478 PolarHBondContact O-N 3.32Å; I478-Q481 WeakPolarHBondContact O-CB 3.35Å; I478-Q481 PolarHBondContact O-N 3.44Å; I478-L482 HydrophobicContact CG2-CD1 4.13Å; I478-L482 HydrophobicContact CG2-CG 4.45Å; I478-L482 WeakPolarHBondContact O-CG 3.36Å; I478-L482 PolarHBondContact O-N 3.43Å
479	E	78.9	Confident	79	Confident	55 Å²	55	50.4 Å²	50.4	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-42.9	176.9	178.6	60.3	-163.4	0	0	111.7	F385 E475 L476 Y477 Q481 L482 R483	F385-E479 HydrophobicContact CD1-CG 4.49Å; F385-E479 HydrophobicContact CD2-CG 4.07Å; F385-E479 HydrophobicContact CE1-CG 4.05Å; F385-E479 HydrophobicContact CE2-CB 4.3Å; F385-E479 HydrophobicContact CE2-CG 3.61Å; F385-E479 HydrophobicContact CG-CG 4.49Å; F385-E479 HydrophobicContact CZ-CB 4.36Å; F385-E479 HydrophobicContact CZ-CG 3.58Å; E475-E479 WeakPolarHBondContact O-CB 3.43Å; E475-E479 PolarHBondContact O-N 3.41Å; L476-E479 PolarHBondContact O-N 3.04Å; Y477-E479 VanDerWaalsContact C-N 3.32Å; Y477-E479 PolarHBondContact O-N 3.06Å; E479-Q481 VanDerWaalsContact C-N 3.29Å; E479-Q481 PolarHBondContact O-N 3.2Å; E479-L482 PolarHBondContact O-N 2.82Å; E479-R483 WeakPolarHBondContact O-CB 3.37Å; E479-R483 WeakPolarHBondContact O-CG 3.28Å; E479-R483 PolarHBondContact O-N 3.07Å; E479-R483 IonicContact OE1-CZ 3.8Å; E479-R483 VanDerWaalsContact OE1-CZ 3.32Å; E479-R483 IonicContact OE1-NE 2.74Å; E479-R483 PolarHBondContact OE1-NE 2.94Å; E479-R483 IonicContact OE1-NH2 3.8Å; E479-R483 PolarHBondContact OE1-NH2 2.94Å
480	L	82.9	Confident	79	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-62.1	-37.9	173.4	-71.6	170.7	0	0	0	111.8	L476 Y477 R483 Y484 L490 L558 F561 L633 L636	L476-L480 HydrophobicContact CD1-CD1 4.49Å; L476-L480 HydrophobicContact CG-CD1 4.24Å; L476-L480 WeakPolarHBondContact O-CB 3.32Å; L476-L480 VanDerWaalsContact O-CG 3.24Å; L476-L480 WeakPolarHBondContact O-CG 3.27Å; L476-L480 PolarHBondContact O-N 3.36Å; Y477-L480 PolarHBondContact O-N 3.22Å; L480-R483 PolarHBondContact O-N 2.95Å; L480-Y484 WeakPolarHBondContact O-CB 3.36Å; L480-Y484 PolarHBondContact O-N 2.96Å; L480-L490 HydrophobicContact CD2-CD1 4.16Å; L480-L490 HydrophobicContact CD2-CD2 3.95Å; L480-L490 HydrophobicContact CD2-CG 4.43Å; L480-L558 HydrophobicContact CD1-CD2 3.87Å; L480-L558 HydrophobicContact CD2-CD2 3.96Å; L480-F561 HydrophobicContact CB-CZ 4.38Å; L480-F561 HydrophobicContact CD2-CD1 4.14Å; L480-F561 HydrophobicContact CD2-CE1 3.75Å; L480-F561 HydrophobicContact CD2-CZ 4.4Å; L480-F561 WeakPolarHBondContact O-CZ 3.21Å; L480-L633 HydrophobicContact CB-CD2 3.81Å; L480-L636 HydrophobicContact CD1-CD1 3.86Å
481	Q	84.4	Confident	78.5	Confident	73 Å²	73	48.4 Å²	48.4	34%	0.341	24%	0.235	S	C	.	.	H	α-helix	trans	-66.8	-44.9	175.5	-174.5	176.2	-3.6	0	0	111.6	Y477 I478 E479 R483 Y484 D485	Y477-Q481 WeakPolarHBondContact O-CB 3.17Å; Y477-Q481 PolarHBondContact O-N 3.08Å; I478-Q481 WeakPolarHBondContact O-CB 3.35Å; I478-Q481 PolarHBondContact O-N 3.44Å; E479-Q481 VanDerWaalsContact C-N 3.29Å; E479-Q481 PolarHBondContact O-N 3.2Å; Q481-R483 VanDerWaalsContact C-N 3.28Å; Q481-R483 PolarHBondContact O-N 2.76Å; Q481-Y484 WeakPolarHBondContact O-CB 3.19Å; Q481-Y484 PolarHBondContact O-N 3.34Å; Q481-Y484 VanDerWaalsContact O-N 3.12Å; Q481-D485 PolarHBondContact O-N 2.92Å
482	L	81.3	Confident	77.6	Confident	80 Å²	80	50.7 Å²	50.7	42%	0.419	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-40.1	174.7	-74.3	170.8	0	0	0	111.6	I478 E479 D485 R486	I478-L482 HydrophobicContact CG2-CD1 4.13Å; I478-L482 HydrophobicContact CG2-CG 4.45Å; I478-L482 WeakPolarHBondContact O-CG 3.36Å; I478-L482 PolarHBondContact O-N 3.43Å; E479-L482 PolarHBondContact O-N 2.82Å; L482-D485 PolarHBondContact O-N 3.15Å; L482-R486 WeakPolarHBondContact O-CB 3.28Å; L482-R486 WeakPolarHBondContact O-CG 3.48Å; L482-R486 PolarHBondContact O-N 3.21Å
483	R	82.2	Confident	76.7	Confident	12 Å²	12	54.6 Å²	54.6	5%	0.045	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-38.3	173.9	-75.4	-172.8	-172	-106.7	-8.7	112.2	D387 E479 L480 Q481 L487 I488 C489	D387-R483 IonicContact OD2-NH1 2.6Å; D387-R483 PolarHBondContact OD2-NH1 3.32Å; D387-R483 IonicContact OD2-NH2 3.66Å; E479-R483 WeakPolarHBondContact O-CB 3.37Å; E479-R483 WeakPolarHBondContact O-CG 3.28Å; E479-R483 PolarHBondContact O-N 3.07Å; E479-R483 IonicContact OE1-CZ 3.8Å; E479-R483 VanDerWaalsContact OE1-CZ 3.32Å; E479-R483 IonicContact OE1-NE 2.74Å; E479-R483 PolarHBondContact OE1-NE 2.94Å; E479-R483 IonicContact OE1-NH2 3.8Å; E479-R483 PolarHBondContact OE1-NH2 2.94Å; L480-R483 PolarHBondContact O-N 2.95Å; Q481-R483 VanDerWaalsContact C-N 3.28Å; Q481-R483 PolarHBondContact O-N 2.76Å; R483-L487 CarbonylContact O-C 3.57Å; R483-L487 WeakPolarHBondContact O-CA 2.82Å; R483-L487 PolarHBondContact O-N 2.83Å; R483-I488 HydrophobicContact CB-CB 4.31Å; R483-I488 WeakPolarHBondContact CB-O 3.39Å; R483-I488 HydrophobicContact CG-CB 4.07Å; R483-I488 HydrophobicContact CG-CG2 4.23Å; R483-I488 PolarHBondContact O-N 2.67Å; R483-C489 PolarHBondContact NH1-O 2.94Å; R483-C489 VanDerWaalsContact NH1-O 3.09Å
484	Y	86.2	Confident	75.1	Confident	41 Å²	41	59.8 Å²	59.8	16%	0.161	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-49.7	171.8	170	-98.3	0	0	0	111.7	L480 Q481 R486 L487 L626 A629 L633	L480-Y484 WeakPolarHBondContact O-CB 3.36Å; L480-Y484 PolarHBondContact O-N 2.96Å; Q481-Y484 WeakPolarHBondContact O-CB 3.19Å; Q481-Y484 PolarHBondContact O-N 3.34Å; Q481-Y484 VanDerWaalsContact O-N 3.12Å; Y484-R486 VanDerWaalsContact C-N 3.3Å; Y484-R486 PolarHBondContact O-N 3.32Å; Y484-L487 PolarHBondContact O-N 3.43Å; Y484-L626 HydrophobicContact CD2-CD2 4.5Å; Y484-L626 HydrophobicContact CE2-CB 4.36Å; Y484-L626 HydrophobicContact CE2-CD2 3.81Å; Y484-A629 HydrophobicContact CD2-CB 3.86Å; Y484-A629 HydrophobicContact CE2-CB 3.85Å; Y484-L633 HydrophobicContact CD1-CD1 4.03Å; Y484-L633 HydrophobicContact CD2-CD1 4.19Å; Y484-L633 HydrophobicContact CG-CD1 3.71Å
485	D	81	Confident	73.5	Confident	101 Å²	101	59.7 Å²	59.7	54%	0.54	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-39.2	-179.1	-70.5	-20.4	0	0	0	111.9	Q481 L482	Q481-D485 PolarHBondContact O-N 2.92Å; L482-D485 PolarHBondContact O-N 3.15Å
486	R	81.9	Confident	72.1	Confident	185 Å²	185	56.3 Å²	56.3	70%	0.698	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	0.7	177.8	-66.1	-179.9	161.4	-171.3	-6.9	113.9	L482 Y484 I488	L482-R486 WeakPolarHBondContact O-CB 3.28Å; L482-R486 WeakPolarHBondContact O-CG 3.48Å; L482-R486 PolarHBondContact O-N 3.21Å; Y484-R486 VanDerWaalsContact C-N 3.3Å; Y484-R486 PolarHBondContact O-N 3.32Å; R486-I488 HydrophobicContact CB-CD1 3.66Å; R486-I488 HydrophobicContact CB-CG1 3.75Å; R486-I488 HydrophobicContact CG-CD1 4.41Å; R486-I488 PolarHBondContact O-N 3.14Å
487	L	80.6	Confident	70.4	Confident	23 Å²	23	57.7 Å²	57.7	12%	0.12	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	50	36.5	-171.3	-57	172.6	0	0	0	113.1	R483 Y484 I565 A568 R569 L626	R483-L487 CarbonylContact O-C 3.57Å; R483-L487 WeakPolarHBondContact O-CA 2.82Å; R483-L487 PolarHBondContact O-N 2.83Å; Y484-L487 PolarHBondContact O-N 3.43Å; L487-I565 VanDerWaalsContact C-CG2 3.5Å; L487-I565 HydrophobicContact CB-CG2 4.3Å; L487-I565 VanDerWaalsContact O-CG2 3.31Å; L487-I565 WeakPolarHBondContact O-CG2 3.3Å; L487-A568 HydrophobicContact CD2-CB 4.07Å; L487-R569 HydrophobicContact CB-CG 4.24Å; L487-R569 PolarHBondContact O-NE 2.81Å; L487-R569 PolarHBondContact O-NH2 3.41Å; L487-L626 HydrophobicContact CD2-CD2 3.65Å
488	I	76.7	Confident	68.6	Low	58 Å²	58	61.5 Å²	61.5	30%	0.297	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-85	123.1	178.7	-63.6	169.4	0	0	0	109.5	R483 R486	R483-I488 HydrophobicContact CB-CB 4.31Å; R483-I488 WeakPolarHBondContact CB-O 3.39Å; R483-I488 HydrophobicContact CG-CB 4.07Å; R483-I488 HydrophobicContact CG-CG2 4.23Å; R483-I488 PolarHBondContact O-N 2.67Å; R486-I488 HydrophobicContact CB-CD1 3.66Å; R486-I488 HydrophobicContact CB-CG1 3.75Å; R486-I488 HydrophobicContact CG-CD1 4.41Å; R486-I488 PolarHBondContact O-N 3.14Å
489	C	74.8	Confident	66.9	Low	22 Å²	22	61.2 Å²	61.2	15%	0.149	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.9	151.6	176.6	-62.3	0	0	0	0	111.2	R483 N562 L566	R483-C489 PolarHBondContact NH1-O 2.94Å; R483-C489 VanDerWaalsContact NH1-O 3.09Å; C489-N562 WeakPolarHBondContact CA-OD1 3.26Å; C489-N562 WeakPolarHBondContact CB-OD1 3.44Å; C489-L566 WeakPolarHBondContact SG-CD2 3.2Å
490	L	73.1	Confident	65	Low	13 Å²	13	62.9 Å²	62.9	7%	0.068	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-67.5	143	165.5	-69.5	170.2	0	0	0	109.1	F385 L443 L480 V492 L558 F561 N562	F385-L490 HydrophobicContact CE1-CD2 3.88Å; L443-L490 HydrophobicContact CD2-CD2 4.11Å; L480-L490 HydrophobicContact CD2-CD1 4.16Å; L480-L490 HydrophobicContact CD2-CD2 3.95Å; L480-L490 HydrophobicContact CD2-CG 4.43Å; L490-V492 PolarHBondContact O-N 2.67Å; L490-L558 HydrophobicContact CD1-CB 3.96Å; L490-L558 HydrophobicContact CD1-CD1 4.39Å; L490-L558 HydrophobicContact CD1-CD2 4.2Å; L490-L558 HydrophobicContact CD1-CG 4.43Å; L490-F561 HydrophobicContact CD1-CD1 4.23Å; L490-N562 PolarHBondContact N-OD1 2.94Å; L490-N562 PolarHBondContact O-ND2 2.81Å; L490-N562 VanDerWaalsContact O-ND2 3.15Å
491	P	63.6	Low	63	Low	16 Å²	16	66 Å²	66	10%	0.104	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-52.7	125.4	175.9	20.8	-33.9	0	0	0	110.6	L495 Y496	P491-L495 HydrophobicContact CB-CD1 4.1Å; P491-Y496 HydrophobicContact CB-CE2 3.84Å; P491-Y496 HydrophobicContact CG-CE2 3.91Å; P491-Y496 WeakPolarHBondContact CG-OH 3.37Å
492	V	55.8	Low	61	Low	88 Å²	88	69.3 Å²	69.3	53%	0.533	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-71.2	150.6	-179.8	-127.1	0	0	0	0	110.1	L490 M494 L495	L490-V492 PolarHBondContact O-N 2.67Å; V492-M494 PolarHBondContact O-N 3.44Å; V492-L495 PolarHBondContact O-N 3.22Å
493	Q	51.4	Low	58.8	Low	84 Å²	84	70.9 Å²	70.9	39%	0.393	34%	0.341	S	S	.	.	H	α-helix	trans	-48.2	-34.4	179.8	-172	177.6	-25.7	0	0	113.5	N439 I441 L495 Y496 E497	N439-Q493 VanDerWaalsContact ND2-CD 3.27Å; N439-Q493 PolarHBondContact ND2-NE2 2.85Å; N439-Q493 PolarHBondContact ND2-OE1 3.34Å; I441-Q493 HydrophobicContact CG2-CG 4.29Å; Q493-L495 PolarHBondContact O-N 3.01Å; Q493-Y496 WeakPolarHBondContact O-CB 3.39Å; Q493-Y496 PolarHBondContact O-N 3.36Å; Q493-E497 PolarHBondContact NE2-OE1 3.46Å; Q493-E497 PolarHBondContact O-N 3.43Å
494	M	46.7	Very low	56.6	Low	123 Å²	123	73.5 Å²	73.5	61%	0.606	36%	0.356	S	S	*	.	H	α-helix	trans	-58.7	-40.6	178.1	-65.5	-63.2	-61.3	0	0	113.9	V492 Y496 E497 E498	V492-M494 PolarHBondContact O-N 3.44Å; M494-Y496 PolarHBondContact O-N 2.61Å; M494-E497 PolarHBondContact O-N 2.78Å; M494-E498 PolarHBondContact O-N 2.8Å
495	L	44.3	Very low	54.4	Low	78 Å²	78	76.8 Å²	76.8	41%	0.408	38%	0.375	S	S	.	.	H	α-helix	trans	-62.4	-35.9	179.4	-77.7	165.5	0	0	0	111.1	P491 V492 Q493 E498 V499	P491-L495 HydrophobicContact CB-CD1 4.1Å; V492-L495 PolarHBondContact O-N 3.22Å; Q493-L495 PolarHBondContact O-N 3.01Å; L495-E498 PolarHBondContact O-N 3.31Å; L495-V499 WeakPolarHBondContact O-CG2 3.45Å; L495-V499 PolarHBondContact O-N 2.77Å; L495-V499 VanDerWaalsContact O-N 3.15Å
496	Y	47.9	Very low	52.2	Low	6 Å²	6	78.3 Å²	78.3	2%	0.024	38%	0.383	C	S	.	.	H	α-helix	trans	-71.8	-38.8	178.7	-63.6	-67.4	0	0	0	112	L384 P386 I441 R446 P491 Q493 M494 E498 V499 F500	L384-Y496 PolarHBondContact O-OH 2.98Å; P386-Y496 HydrophobicContact CG-CD1 4.19Å; P386-Y496 HydrophobicContact CG-CE1 3.53Å; I441-Y496 HydrophobicContact CG2-CG 4.42Å; R446-Y496 VanDerWaalsContact CZ-CD1 3.43Å; P491-Y496 HydrophobicContact CB-CE2 3.84Å; P491-Y496 HydrophobicContact CG-CE2 3.91Å; P491-Y496 WeakPolarHBondContact CG-OH 3.37Å; Q493-Y496 WeakPolarHBondContact O-CB 3.39Å; Q493-Y496 PolarHBondContact O-N 3.36Å; M494-Y496 PolarHBondContact O-N 2.61Å; Y496-E498 VanDerWaalsContact C-N 3.33Å; Y496-V499 PolarHBondContact O-N 2.79Å; Y496-F500 VanDerWaalsContact O-CD2 3.29Å; Y496-F500 WeakPolarHBondContact O-CD2 3.24Å; Y496-F500 PolarHBondContact O-N 3.29Å; Y496-F500 VanDerWaalsContact O-N 3.08Å
497	E	44	Very low	49.8	Very low	44 Å²	44	75.7 Å²	75.7	21%	0.206	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-39.8	174	-70.2	179.4	-174.3	0	0	111.5	Q429 I441 Q493 M494 N501	Q429-E497 PolarHBondContact NE2-OE1 2.77Å; I441-E497 HydrophobicContact CD1-CG 4.15Å; Q493-E497 PolarHBondContact NE2-OE1 3.46Å; Q493-E497 PolarHBondContact O-N 3.43Å; M494-E497 PolarHBondContact O-N 2.78Å; E497-N501 WeakPolarHBondContact O-CB 3.38Å; E497-N501 PolarHBondContact O-N 3.16Å; E497-N501 PolarHBondContact O-ND2 2.87Å; E497-N501 VanDerWaalsContact O-ND2 3.15Å
498	E	43.4	Very low	47.4	Very low	115 Å²	115	78.3 Å²	78.3	54%	0.537	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-42.9	175.9	-75.6	-170.9	175.8	0	0	113.6	M494 L495 Y496 N501 K502	M494-E498 PolarHBondContact O-N 2.8Å; L495-E498 PolarHBondContact O-N 3.31Å; Y496-E498 VanDerWaalsContact C-N 3.33Å; E498-N501 PolarHBondContact O-N 3.44Å; E498-K502 WeakPolarHBondContact O-CB 3.42Å; E498-K502 PolarHBondContact O-N 3.35Å
499	V	44.9	Very low	45.2	Very low	66 Å²	66	83 Å²	83	40%	0.4	43%	0.429	S	S	.	.	H	α-helix	trans	-64.8	-43.4	178.1	174	0	0	0	0	110.9	L495 Y496 K502 F503	L495-V499 WeakPolarHBondContact O-CG2 3.45Å; L495-V499 PolarHBondContact O-N 2.77Å; L495-V499 VanDerWaalsContact O-N 3.15Å; Y496-V499 PolarHBondContact O-N 2.79Å; V499-K502 PolarHBondContact O-N 2.87Å; V499-F503 PolarHBondContact O-N 3.01Å; V499-F503 VanDerWaalsContact O-N 3.17Å
500	F	38.3	Very low	43	Very low	89 Å²	89	90 Å²	90	39%	0.39	46%	0.46	S	S	.	.	H	α-helix	trans	-67.9	-39.9	176.9	-86.1	-71.6	0	0	0	112.3	Y496 F503 N504	Y496-F500 VanDerWaalsContact O-CD2 3.29Å; Y496-F500 WeakPolarHBondContact O-CD2 3.24Å; Y496-F500 PolarHBondContact O-N 3.29Å; Y496-F500 VanDerWaalsContact O-N 3.08Å; F500-F503 PolarHBondContact O-N 2.87Å; F500-N504 PolarHBondContact O-N 3.2Å; F500-N504 VanDerWaalsContact O-N 3.1Å
501	N	41.5	Very low	40.9	Very low	68 Å²	68	97.5 Å²	97.5	36%	0.364	50%	0.498	S	S	.	.	H	α-helix	trans	-67.5	-38.5	176.6	-72	-22.6	0	0	0	111.8	E497 E498 F503 N504 I505	E497-N501 WeakPolarHBondContact O-CB 3.38Å; E497-N501 PolarHBondContact O-N 3.16Å; E497-N501 PolarHBondContact O-ND2 2.87Å; E497-N501 VanDerWaalsContact O-ND2 3.15Å; E498-N501 PolarHBondContact O-N 3.44Å; N501-F503 VanDerWaalsContact C-N 3.31Å; N501-F503 PolarHBondContact O-N 3.43Å; N501-N504 PolarHBondContact O-N 2.79Å; N501-I505 VanDerWaalsContact O-CG1 3.25Å; N501-I505 WeakPolarHBondContact O-CG1 3.31Å; N501-I505 PolarHBondContact O-N 2.87Å
502	K	40.8	Very low	39.1	Very low	144 Å²	144	104 Å²	104	63%	0.626	53%	0.53	S	S	*	.	H	α-helix	trans	-60.8	-37.8	172.9	-94.6	179.1	175.6	169.3	0	112.6	E498 V499 N506	E498-K502 WeakPolarHBondContact O-CB 3.42Å; E498-K502 PolarHBondContact O-N 3.35Å; V499-K502 PolarHBondContact O-N 2.87Å; K502-N506 PolarHBondContact O-N 3.24Å
503	F	36.9	Very low	37.7	Very low	112 Å²	112	108.1 Å²	108.1	49%	0.491	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-37.3	174.7	-102.7	-85.1	0	0	0	112.4	V499 F500 N501	V499-F503 PolarHBondContact O-N 3.01Å; V499-F503 VanDerWaalsContact O-N 3.17Å; F500-F503 PolarHBondContact O-N 2.87Å; N501-F503 VanDerWaalsContact C-N 3.31Å; N501-F503 PolarHBondContact O-N 3.43Å
504	N	35.7	Very low	36.4	Very low	67 Å²	67	112.6 Å²	112.6	36%	0.358	57%	0.565	S	S	.	*	H	α-helix	trans	-73.7	-35.1	177.1	-80.1	-7	0	0	0	113.1	N424 F500 N501 N506 N507 S508	N424-N504 PolarHBondContact OD1-ND2 3.5Å; F500-N504 PolarHBondContact O-N 3.2Å; F500-N504 VanDerWaalsContact O-N 3.1Å; N501-N504 PolarHBondContact O-N 2.79Å; N504-N506 PolarHBondContact O-N 2.81Å; N504-N507 PolarHBondContact O-N 3.47Å; N504-N507 VanDerWaalsContact O-N 3.13Å; N504-S508 VanDerWaalsContact O-CB 3.3Å; N504-S508 WeakPolarHBondContact O-CB 3.04Å; N504-S508 PolarHBondContact O-N 3.2Å; N504-S508 PolarHBondContact O-OG 2.95Å
505	I	38.4	Very low	35.4	Very low	110 Å²	110	115.3 Å²	115.3	56%	0.564	58%	0.576	S	S	*	*	H	α-helix	trans	-61.8	-33	176.2	-68.1	162.7	0	0	0	111.6	N501 S508	N501-I505 VanDerWaalsContact O-CG1 3.25Å; N501-I505 WeakPolarHBondContact O-CG1 3.31Å; N501-I505 PolarHBondContact O-N 2.87Å; I505-S508 PolarHBondContact O-OG 3.41Å
506	N	35.9	Very low	34.4	Very low	133 Å²	133	120 Å²	120	71%	0.711	60%	0.596	S	S	*	*	H	α-helix	trans	-77.4	-19.3	178.4	-76.1	-14.6	0	0	0	114	K502 N504	K502-N506 PolarHBondContact O-N 3.24Å; N504-N506 PolarHBondContact O-N 2.81Å
507	N	32.2	Very low	33.3	Very low	130 Å²	130	128.5 Å²	128.5	70%	0.695	64%	0.636	S	S	*	*	H	α-helix	trans	-103.9	-11.7	177.7	-78.5	-11.3	0	0	0	113.3	N504 N509	N504-N507 PolarHBondContact O-N 3.47Å; N504-N507 VanDerWaalsContact O-N 3.13Å; N507-N509 VanDerWaalsContact C-N 3.27Å; N507-N509 PolarHBondContact O-N 2.93Å; N507-N509 VanDerWaalsContact O-N 3.16Å
508	S	29.4	Very low	32.6	Very low	79 Å²	79	130.3 Å²	130.3	55%	0.552	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	44.4	-179.8	66.9	0	0	0	0	113.5	N504 I505	N504-S508 VanDerWaalsContact O-CB 3.3Å; N504-S508 WeakPolarHBondContact O-CB 3.04Å; N504-S508 PolarHBondContact O-N 3.2Å; N504-S508 PolarHBondContact O-OG 2.95Å; I505-S508 PolarHBondContact O-OG 3.41Å
509	N	29.2	Very low	31.8	Very low	156 Å²	156	130.4 Å²	130.4	83%	0.834	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-4.5	162.9	-87.8	-14.9	0	0	0	113.1	N507	N507-N509 VanDerWaalsContact C-N 3.27Å; N507-N509 PolarHBondContact O-N 2.93Å; N507-N509 VanDerWaalsContact O-N 3.16Å
510	E	29	Very low	31.3	Very low	169 Å²	169	133.1 Å²	133.1	79%	0.79	69%	0.688	S	S	*	*	S	Bend	trans	-142.8	101.3	170.9	-70.7	-175.7	163.8	0	0	108.4
511	I	28.8	Very low	31	Very low	170 Å²	170	133.8 Å²	133.8	87%	0.872	70%	0.696	S	S	*	*			trans	174.1	109.3	136.6	-81.8	148.2	0	0	0	105.7
512	I	26.6	Very low	30.8	Very low	153 Å²	153	139.4 Å²	139.4	79%	0.785	72%	0.72	S	S	*	*			trans	-68.1	133.9	174.3	-70.3	163.9	0	0	0	108.2	E514	I512-E514 PolarHBondContact O-N 3.41Å
513	E	25.7	Very low	30.7	Very low	174 Å²	174	139.4 Å²	139.4	81%	0.813	73%	0.727	S	S	*	*			trans	-13.1	99.5	159.8	-62	167.2	-177.5	0	0	115
514	E	25.1	Very low	30.9	Very low	178 Å²	178	138 Å²	138	83%	0.832	72%	0.721	S	S	*	*			trans	-122.9	89.6	143.9	-75.1	-172.7	173.2	0	0	106.4	I512 E516	I512-E514 PolarHBondContact O-N 3.41Å; E514-E516 PolarHBondContact O-N 3.17Å
515	E	25.1	Very low	31.2	Very low	181 Å²	181	138.4 Å²	138.4	85%	0.846	73%	0.726	S	S	*	*			trans	-63.2	80.1	164.8	-67.7	-178.7	151.2	0	0	108.5	E517	E515-E517 VanDerWaalsContact C-N 3.32Å; E515-E517 PolarHBondContact O-N 2.94Å; E515-E517 VanDerWaalsContact O-N 3.13Å
516	E	24.7	Very low	31.5	Very low	177 Å²	177	139 Å²	139	83%	0.827	73%	0.73	S	S	*	*			trans	-74.9	96.4	157.5	-81.7	-164.5	155.3	0	0	107.3	E514 A518	E514-E516 PolarHBondContact O-N 3.17Å; E516-A518 VanDerWaalsContact C-N 3.33Å; E516-A518 PolarHBondContact O-N 2.85Å
517	E	24.6	Very low	32	Very low	183 Å²	183	133 Å²	133	86%	0.855	70%	0.698	S	S	*	*			trans	-45.6	97.2	163.9	-68.2	179.9	157.7	0	0	109.2	E515 S519	E515-E517 VanDerWaalsContact C-N 3.32Å; E515-E517 PolarHBondContact O-N 2.94Å; E515-E517 VanDerWaalsContact O-N 3.13Å; E517-S519 PolarHBondContact O-N 3.47Å
518	A	28.1	Very low	32.8	Very low	82 Å²	82	131.3 Å²	131.3	68%	0.678	69%	0.689	S	S	*	*			trans	-61.2	93.6	162.8	0	0	0	0	0	106.5	E516 V520	E516-A518 VanDerWaalsContact C-N 3.33Å; E516-A518 PolarHBondContact O-N 2.85Å; A518-V520 PolarHBondContact O-N 3.41Å
519	S	27.5	Very low	33.7	Very low	118 Å²	118	128 Å²	128	83%	0.825	67%	0.667	S	S	*	*			trans	-45.5	95	177.4	48.9	0	0	0	0	111.4	E517 D521	E517-S519 PolarHBondContact O-N 3.47Å; S519-D521 PolarHBondContact O-N 2.91Å
520	V	33.3	Very low	34.7	Very low	122 Å²	122	122.8 Å²	122.8	74%	0.739	64%	0.635	S	S	*	*			trans	-73.5	112.1	167.1	177.8	0	0	0	0	105.6	A518 E522	A518-V520 PolarHBondContact O-N 3.41Å; V520-E522 PolarHBondContact O-N 3.3Å
521	D	33.5	Very low	35.6	Very low	103 Å²	103	117.3 Å²	117.3	55%	0.551	61%	0.611	S	S	*	*			trans	-65.1	95.9	173.7	-160.2	-2.2	0	0	0	108.1	S519 N523 K524	S519-D521 PolarHBondContact O-N 2.91Å; D521-N523 PolarHBondContact O-N 2.98Å; D521-K524 PolarHBondContact O-N 3.33Å; D521-K524 VanDerWaalsContact O-N 3.17Å
522	E	36.2	Very low	36.3	Very low	186 Å²	186	115.1 Å²	115.1	87%	0.869	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-6.8	-176.6	-70.5	-172	151.6	0	0	114.1	V520	V520-E522 PolarHBondContact O-N 3.3Å
523	N	38.1	Very low	37.1	Very low	144 Å²	144	113.1 Å²	113.1	77%	0.77	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-2.3	-179.8	-71	-43.2	0	0	0	115.2	D521	D521-N523 PolarHBondContact O-N 2.98Å
524	K	41.9	Very low	38.2	Very low	84 Å²	84	106.1 Å²	106.1	37%	0.365	56%	0.558	S	S	.	*	S	Bend	trans	-85.9	119.6	173.6	-79.6	-172.5	175.9	-170.2	0	110.4	D521 L526 Y685	D521-K524 PolarHBondContact O-N 3.33Å; D521-K524 VanDerWaalsContact O-N 3.17Å; K524-L526 PolarHBondContact O-N 3.1Å; K524-Y685 HydrophobicContact CD-CE1 4.47Å; K524-Y685 HydrophobicContact CD-CE2 4.37Å
525	P	42.6	Very low	39.3	Very low	74 Å²	74	100.1 Å²	100.1	48%	0.481	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-60.9	132.3	173.2	23.4	-31	0	0	0	109.7	L527 Y685	P525-L527 PolarHBondContact O-N 2.82Å; P525-L527 VanDerWaalsContact O-N 3.14Å; P525-Y685 VanDerWaalsContact CD-OH 3.27Å; P525-Y685 WeakPolarHBondContact CD-OH 3.34Å; P525-Y685 WeakPolarHBondContact CG-OH 3.44Å; P525-Y685 PolarHBondContact O-OH 3.19Å
526	L	43.6	Very low	40.5	Very low	124 Å²	124	98.7 Å²	98.7	65%	0.649	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-54.1	117.7	167.4	-83.5	128.4	0	0	0	108.4	K524 N528	K524-L526 PolarHBondContact O-N 3.1Å; L526-N528 PolarHBondContact O-N 3.45Å
527	L	46.8	Very low	42	Very low	7 Å²	7	96.3 Å²	96.3	4%	0.037	52%	0.517	C	S	.	.			trans	-76.3	107.1	172.9	-72.1	168.7	0	0	0	107.4	G436 P525 A529 Y685 L688 K689 S692	G436-L527 WeakPolarHBondContact CA-O 3.23Å; G436-L527 PolarHBondContact N-O 3.44Å; P525-L527 PolarHBondContact O-N 2.82Å; P525-L527 VanDerWaalsContact O-N 3.14Å; L527-A529 HydrophobicContact CB-CB 4.27Å; L527-A529 PolarHBondContact O-N 2.86Å; L527-Y685 HydrophobicContact CD1-CD2 3.38Å; L527-Y685 HydrophobicContact CD1-CE2 3.29Å; L527-Y685 HydrophobicContact CD1-CG 4.13Å; L527-Y685 HydrophobicContact CG-CD2 4.3Å; L527-Y685 HydrophobicContact CG-CE2 3.7Å; L527-L688 HydrophobicContact CD1-CB 3.79Å; L527-K689 HydrophobicContact CD2-CB 4.06Å; L527-K689 HydrophobicContact CD2-CG 4.41Å; L527-S692 VanDerWaalsContact CD2-OG 3.25Å; L527-S692 WeakPolarHBondContact CD2-OG 3.41Å
528	N	48.7	Very low	43.9	Very low	93 Å²	93	87.8 Å²	87.8	50%	0.497	48%	0.477	S	S	.	.			trans	-78.2	48	167.1	-70.8	-2.7	0	0	0	110.4	L526	L526-N528 PolarHBondContact O-N 3.45Å
529	A	48	Very low	45.6	Very low	10 Å²	10	86 Å²	86	8%	0.083	46%	0.456	C	S	.	.			trans	-70.7	-40.3	-171.2	0	0	0	0	0	112	L527 N531 F708	L527-A529 HydrophobicContact CB-CB 4.27Å; L527-A529 PolarHBondContact O-N 2.86Å; A529-N531 PolarHBondContact O-N 2.99Å; A529-F708 HydrophobicContact CB-CE2 3.66Å; A529-F708 HydrophobicContact CB-CZ 3.59Å; A529-F708 WeakPolarHBondContact O-CE2 3.42Å
530	W	50.5	Low	47.4	Very low	47 Å²	47	82.6 Å²	82.6	18%	0.178	44%	0.44	C	S	.	.	S	Bend	trans	-75.7	78.2	165.7	-108.7	55.2	0	0	0	110.6	G436 P438 H532 D553 D555 P650 H651	G436-W530 WeakPolarHBondContact O-CB 3.29Å; G436-W530 PolarHBondContact O-N 2.94Å; P438-W530 HydrophobicContact CB-CD2 3.88Å; P438-W530 HydrophobicContact CB-CE3 3.86Å; P438-W530 HydrophobicContact CB-CH2 3.61Å; P438-W530 HydrophobicContact CB-CZ2 3.61Å; P438-W530 HydrophobicContact CB-CZ3 3.72Å; P438-W530 HydrophobicContact CG-CD2 4.46Å; P438-W530 HydrophobicContact CG-CH2 4.41Å; P438-W530 HydrophobicContact CG-CZ2 3.95Å; W530-H532 PolarHBondContact O-N 3.37Å; W530-D553 WeakPolarHBondContact CH2-OD1 3.36Å; W530-D553 VanDerWaalsContact CZ3-OD1 3.29Å; W530-D553 WeakPolarHBondContact CZ3-OD1 3.48Å; W530-D553 WeakPolarHBondContact CZ3-OD2 3.46Å; W530-D555 HydrophobicContact CH2-CB 4.31Å; W530-D555 HydrophobicContact CZ3-CB 4.19Å; W530-P650 HydrophobicContact CZ2-CB 4.21Å; W530-P650 HydrophobicContact CZ2-CG 4.32Å; W530-H651 AromaticContact CH2-CE1 3.5Å; W530-H651 VanDerWaalsContact CH2-CE1 3.5Å; W530-H651 WeakPolarHBondContact CH2-CE1 3.14Å; W530-H651 AromaticContact CH2-NE2 3.95Å; W530-H651 AromaticContact CZ2-CE1 3.58Å
531	N	48.4	Very low	49.4	Very low	53 Å²	53	79.8 Å²	79.8	28%	0.283	42%	0.421	S	S	.	.			trans	26.3	29	153.3	-112.9	-7.2	0	0	0	122	A529 N533 S534 I535	A529-N531 PolarHBondContact O-N 2.99Å; N531-N533 PolarHBondContact O-N 2.92Å; N531-N533 VanDerWaalsContact O-N 3.08Å; N531-S534 PolarHBondContact ND2-OG 2.92Å; N531-S534 WeakPolarHBondContact O-CB 3.34Å; N531-S534 PolarHBondContact O-N 2.95Å; N531-S534 WeakPolarHBondContact OD1-CB 3.45Å; N531-S534 PolarHBondContact OD1-OG 3.47Å; N531-I535 PolarHBondContact O-N 3.16Å
532	H	43	Very low	51.3	Low	124 Å²	124	79.8 Å²	79.8	57%	0.574	42%	0.415	S	S	*	.	H	α-helix	trans	-55.1	-28.8	168.6	-85.9	-56.4	0	0	0	112.4	W530 S534 I535	W530-H532 PolarHBondContact O-N 3.37Å; H532-S534 VanDerWaalsContact C-N 3.34Å; H532-I535 HydrophobicContact CB-CD1 4.45Å; H532-I535 VanDerWaalsContact ND1-CD1 3.32Å; H532-I535 WeakPolarHBondContact ND1-CD1 3.5Å; H532-I535 WeakPolarHBondContact O-CB 3.16Å; H532-I535 PolarHBondContact O-N 3.44Å
533	N	44	Very low	53.4	Low	111 Å²	111	71.1 Å²	71.1	59%	0.594	38%	0.375	S	S	*	.	H	α-helix	trans	-69.9	-28.8	175.7	-70	-15.3	0	0	0	113.2	N531	N531-N533 PolarHBondContact O-N 2.92Å; N531-N533 VanDerWaalsContact O-N 3.08Å
534	S	49	Very low	55.1	Low	27 Å²	27	71.5 Å²	71.5	19%	0.189	37%	0.37	C	S	.	.	H	α-helix	trans	-76	-28.9	176.7	-66.1	0	0	0	0	112	N531 H532 Q536 L537 I538	N531-S534 PolarHBondContact ND2-OG 2.92Å; N531-S534 WeakPolarHBondContact O-CB 3.34Å; N531-S534 PolarHBondContact O-N 2.95Å; N531-S534 WeakPolarHBondContact OD1-CB 3.45Å; N531-S534 PolarHBondContact OD1-OG 3.47Å; H532-S534 VanDerWaalsContact C-N 3.34Å; S534-Q536 VanDerWaalsContact C-N 3.3Å; S534-Q536 PolarHBondContact O-N 3.28Å; S534-L537 WeakPolarHBondContact O-CB 3.34Å; S534-L537 PolarHBondContact O-N 3.21Å; S534-I538 VanDerWaalsContact O-CD1 3.25Å; S534-I538 WeakPolarHBondContact O-CD1 3.33Å; S534-I538 WeakPolarHBondContact O-CG1 3.48Å; S534-I538 PolarHBondContact O-N 3.09Å
535	I	47.3	Very low	56.8	Low	52 Å²	52	72.3 Å²	72.3	27%	0.267	38%	0.378	S	S	.	.	H	α-helix	trans	-55.9	-42.1	177.9	-58.3	177	0	0	0	111.8	N531 H532 L537 I538 N539 Y556	N531-I535 PolarHBondContact O-N 3.16Å; H532-I535 HydrophobicContact CB-CD1 4.45Å; H532-I535 VanDerWaalsContact ND1-CD1 3.32Å; H532-I535 WeakPolarHBondContact ND1-CD1 3.5Å; H532-I535 WeakPolarHBondContact O-CB 3.16Å; H532-I535 PolarHBondContact O-N 3.44Å; I535-L537 PolarHBondContact O-N 2.94Å; I535-I538 PolarHBondContact O-N 2.87Å; I535-N539 PolarHBondContact O-N 3.18Å; I535-N539 PolarHBondContact O-OD1 3.48Å; I535-Y556 HydrophobicContact CG2-CE2 4.3Å
536	Q	50.8	Low	58.4	Low	152 Å²	152	69.2 Å²	69.2	71%	0.71	36%	0.357	S	S	*	.	H	α-helix	trans	-67.3	-21	180	-68.8	-170.5	7	0	0	113.9	S534	S534-Q536 VanDerWaalsContact C-N 3.3Å; S534-Q536 PolarHBondContact O-N 3.28Å
537	L	57.1	Low	59.6	Low	127 Å²	127	66 Å²	66	67%	0.665	34%	0.343	S	S	*	.	H	α-helix	trans	-86.3	-31	178.6	-78	156.8	0	0	0	112.1	S534 I535	S534-L537 WeakPolarHBondContact O-CB 3.34Å; S534-L537 PolarHBondContact O-N 3.21Å; I535-L537 PolarHBondContact O-N 2.94Å
538	I	64.3	Low	60.4	Low	4 Å²	4	72 Å²	72	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-90.8	-29.5	-167	-57.1	156	0	0	0	113.1	S534 I535 G540 L541 W546 C550 Y556	S534-I538 VanDerWaalsContact O-CD1 3.25Å; S534-I538 WeakPolarHBondContact O-CD1 3.33Å; S534-I538 WeakPolarHBondContact O-CG1 3.48Å; S534-I538 PolarHBondContact O-N 3.09Å; I535-I538 PolarHBondContact O-N 2.87Å; I538-G540 PolarHBondContact O-N 2.98Å; I538-L541 PolarHBondContact O-N 2.99Å; I538-W546 HydrophobicContact CG2-CD2 3.52Å; I538-W546 HydrophobicContact CG2-CE3 4.32Å; I538-W546 HydrophobicContact CG2-CG 3.66Å; I538-W546 HydrophobicContact CG2-CH2 4.45Å; I538-W546 HydrophobicContact CG2-CZ2 3.67Å; I538-C550 HydrophobicContact CD1-CB 3.88Å; I538-C550 WeakPolarHBondContact CD1-SG 3.34Å; I538-Y556 HydrophobicContact CB-CE1 4.22Å; I538-Y556 HydrophobicContact CD1-CE1 4.02Å; I538-Y556 HydrophobicContact CG2-CE1 3.76Å
539	N	63.6	Low	61	Low	44 Å²	44	69.8 Å²	69.8	24%	0.235	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-25.6	-177.7	-80.9	10.4	0	0	0	114.3	I535 Y556 N615 W616	I535-N539 PolarHBondContact O-N 3.18Å; I535-N539 PolarHBondContact O-OD1 3.48Å; N539-Y556 PolarHBondContact OD1-OH 2.76Å; N539-N615 WeakPolarHBondContact CB-OD1 3.14Å; N539-N615 PolarHBondContact ND2-OD1 3.19Å; N539-W616 PolarHBondContact O-N 3.03Å
540	G	64.8	Low	61.9	Low	47 Å²	47	69.6 Å²	69.6	49%	0.485	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.1	176.3	0	0	0	0	0	115.8	I538	I538-G540 PolarHBondContact O-N 2.98Å
541	L	74.5	Confident	62.8	Low	63 Å²	63	69.2 Å²	69.2	33%	0.33	36%	0.359	S	S	.	.	S	Bend	trans	-109	152.9	-174.1	-64.2	172.8	0	0	0	111.7	I538 D545 R560	I538-L541 PolarHBondContact O-N 2.99Å; L541-D545 HydrophobicContact CB-CB 4.32Å; L541-D545 HydrophobicContact CD2-CB 4.31Å; L541-R560 PolarHBondContact O-NH2 3.01Å
542	K	75.1	Confident	63.8	Low	102 Å²	102	71.5 Å²	71.5	44%	0.443	36%	0.364	S	S	.	.			trans	-73.9	151.5	165.6	-68.6	-174.1	175.7	-168	0	109.4	K544 D545 W546 W616 E628	K542-K544 PolarHBondContact O-N 3.45Å; K542-K544 VanDerWaalsContact O-N 3.12Å; K542-D545 WeakPolarHBondContact O-CA 3.4Å; K542-D545 WeakPolarHBondContact O-CB 3.46Å; K542-D545 PolarHBondContact O-N 3.01Å; K542-W546 PolarHBondContact O-NE1 3.47Å; K542-W616 HydrophobicContact CD-CZ2 4.38Å; K542-W616 HydrophobicContact CG-CD2 4.43Å; K542-W616 HydrophobicContact CG-CZ2 3.97Å; K542-E628 WeakPolarHBondContact CA-OE1 3.45Å
543	F	79.2	Confident	65.2	Low	4 Å²	4	67.1 Å²	67.1	2%	0.018	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-47	-44.6	179.2	-176.3	-112.5	0	0	0	113.4	D545 W546 Y551 I557 E628 I632 W635	F543-D545 PolarHBondContact O-N 2.83Å; F543-W546 AromaticContact CD2-CD2 3.8Å; F543-W546 HydrophobicContact CD2-CD2 3.8Å; F543-W546 AromaticContact CD2-CE2 3.94Å; F543-W546 AromaticContact CD2-CE3 3.69Å; F543-W546 HydrophobicContact CD2-CE3 3.69Å; F543-W546 AromaticContact CD2-CH2 3.91Å; F543-W546 HydrophobicContact CD2-CH2 3.91Å; F543-W546 HydrophobicContact CD2-CZ2 4.02Å; F543-W546 AromaticContact CD2-CZ3 3.74Å; F543-W546 HydrophobicContact CD2-CZ3 3.74Å; F543-W546 HydrophobicContact CE2-CD2 4.36Å; F543-W546 AromaticContact CE2-CE3 3.8Å; F543-W546 HydrophobicContact CE2-CE3 3.8Å; F543-W546 HydrophobicContact CE2-CH2 4.29Å; F543-W546 AromaticContact CE2-CZ3 3.76Å; F543-W546 HydrophobicContact CE2-CZ3 3.76Å; F543-W546 VanDerWaalsContact O-CB 3.27Å; F543-W546 WeakPolarHBondContact O-CB 3.38Å; F543-W546 VanDerWaalsContact O-CG 3.23Å; F543-W546 PolarHBondContact O-N 2.78Å; F543-W546 VanDerWaalsContact O-N 3.12Å; F543-Y551 HydrophobicContact CD2-CE1 4.47Å; F543-Y551 AromaticContact CE1-CE1 3.87Å; F543-Y551 HydrophobicContact CE1-CE1 3.87Å; F543-Y551 HydrophobicContact CE2-CD1 4.14Å; F543-Y551 AromaticContact CE2-CE1 3.84Å; F543-Y551 HydrophobicContact CE2-CE1 3.84Å; F543-Y551 AromaticContact CZ-CD1 3.85Å; F543-Y551 HydrophobicContact CZ-CD1 3.85Å; F543-Y551 AromaticContact CZ-CE1 3.51Å; F543-Y551 HydrophobicContact CZ-CE1 3.51Å; F543-Y551 PolarHBondContact O-OH 3.1Å; F543-I557 HydrophobicContact CE2-CG1 4.23Å; F543-I557 HydrophobicContact CE2-CG2 4.2Å; F543-I557 HydrophobicContact CZ-CG2 4.43Å; F543-E628 HydrophobicContact CB-CG 3.86Å; F543-E628 PolarHBondContact N-OE1 2.9Å; F543-I632 HydrophobicContact CB-CG1 4.38Å; F543-I632 HydrophobicContact CD1-CG1 3.77Å; F543-I632 HydrophobicContact CD2-CD1 4.33Å; F543-I632 HydrophobicContact CD2-CG1 3.8Å; F543-I632 HydrophobicContact CE1-CB 4.45Å; F543-I632 HydrophobicContact CE1-CG1 3.92Å; F543-I632 HydrophobicContact CE2-CG1 3.95Å; F543-I632 HydrophobicContact CG-CD1 4.45Å; F543-I632 HydrophobicContact CG-CG1 3.71Å; F543-I632 HydrophobicContact CZ-CG1 4Å; F543-W635 HydrophobicContact CE1-CB 3.6Å; F543-W635 HydrophobicContact CE1-CD2 4.14Å; F543-W635 AromaticContact CE1-CG 3.71Å; F543-W635 HydrophobicContact CE1-CG 3.71Å; F543-W635 HydrophobicContact CZ-CB 4.1Å; F543-W635 AromaticContact CZ-CD2 3.73Å; F543-W635 HydrophobicContact CZ-CD2 3.73Å; F543-W635 AromaticContact CZ-CE3 3.85Å; F543-W635 HydrophobicContact CZ-CE3 3.85Å; F543-W635 AromaticContact CZ-CG 3.82Å; F543-W635 HydrophobicContact CZ-CG 3.82Å
544	K	74.4	Confident	66.6	Low	153 Å²	153	62.1 Å²	62.1	67%	0.665	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-62.7	-25.3	178.5	-65.1	-176.8	179.1	176.9	0	114.6	K542 W546 T631	K542-K544 PolarHBondContact O-N 3.45Å; K542-K544 VanDerWaalsContact O-N 3.12Å; K544-W546 VanDerWaalsContact C-N 3.32Å; K544-T631 VanDerWaalsContact CE-CG2 3.5Å
545	D	76.9	Confident	67.7	Low	100 Å²	100	62.2 Å²	62.2	54%	0.535	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-92.8	4.2	-178.2	-57.8	-40.8	0	0	0	112	L541 K542 F543	L541-D545 HydrophobicContact CB-CB 4.32Å; L541-D545 HydrophobicContact CD2-CB 4.31Å; K542-D545 WeakPolarHBondContact O-CA 3.4Å; K542-D545 WeakPolarHBondContact O-CB 3.46Å; K542-D545 PolarHBondContact O-N 3.01Å; F543-D545 PolarHBondContact O-N 2.83Å
546	W	76.5	Confident	68.9	Low	10 Å²	10	60.8 Å²	60.8	4%	0.038	31%	0.308	C	S	.	.	S	Bend	trans	-65.9	143.4	179	-71.3	12.6	0	0	0	111.1	I538 K542 F543 K544 C550 Y551 Y556 I557 R560	I538-W546 HydrophobicContact CG2-CD2 3.52Å; I538-W546 HydrophobicContact CG2-CE3 4.32Å; I538-W546 HydrophobicContact CG2-CG 3.66Å; I538-W546 HydrophobicContact CG2-CH2 4.45Å; I538-W546 HydrophobicContact CG2-CZ2 3.67Å; K542-W546 PolarHBondContact O-NE1 3.47Å; F543-W546 AromaticContact CD2-CD2 3.8Å; F543-W546 HydrophobicContact CD2-CD2 3.8Å; F543-W546 AromaticContact CD2-CE2 3.94Å; F543-W546 AromaticContact CD2-CE3 3.69Å; F543-W546 HydrophobicContact CD2-CE3 3.69Å; F543-W546 AromaticContact CD2-CH2 3.91Å; F543-W546 HydrophobicContact CD2-CH2 3.91Å; F543-W546 HydrophobicContact CD2-CZ2 4.02Å; F543-W546 AromaticContact CD2-CZ3 3.74Å; F543-W546 HydrophobicContact CD2-CZ3 3.74Å; F543-W546 HydrophobicContact CE2-CD2 4.36Å; F543-W546 AromaticContact CE2-CE3 3.8Å; F543-W546 HydrophobicContact CE2-CE3 3.8Å; F543-W546 HydrophobicContact CE2-CH2 4.29Å; F543-W546 AromaticContact CE2-CZ3 3.76Å; F543-W546 HydrophobicContact CE2-CZ3 3.76Å; F543-W546 VanDerWaalsContact O-CB 3.27Å; F543-W546 WeakPolarHBondContact O-CB 3.38Å; F543-W546 VanDerWaalsContact O-CG 3.23Å; F543-W546 PolarHBondContact O-N 2.78Å; F543-W546 VanDerWaalsContact O-N 3.12Å; K544-W546 VanDerWaalsContact C-N 3.32Å; W546-C550 HydrophobicContact CB-CB 4.39Å; W546-C550 HydrophobicContact CE3-CB 4.11Å; W546-Y551 HydrophobicContact CB-CE2 4.01Å; W546-Y551 WeakPolarHBondContact O-CE2 3.42Å; W546-Y556 HydrophobicContact CE3-CD1 4.35Å; W546-Y556 HydrophobicContact CE3-CE1 4.31Å; W546-Y556 AromaticContact CH2-CD1 3.34Å; W546-Y556 HydrophobicContact CH2-CD1 3.34Å; W546-Y556 AromaticContact CH2-CE1 3.13Å; W546-Y556 HydrophobicContact CH2-CE1 3.13Å; W546-Y556 HydrophobicContact CZ2-CD1 4.18Å; W546-Y556 AromaticContact CZ2-CE1 3.5Å; W546-Y556 HydrophobicContact CZ2-CE1 3.5Å; W546-Y556 AromaticContact CZ3-CD1 3.44Å; W546-Y556 HydrophobicContact CZ3-CD1 3.44Å; W546-Y556 VanDerWaalsContact CZ3-CD1 3.44Å; W546-Y556 AromaticContact CZ3-CE1 3.59Å; W546-Y556 HydrophobicContact CZ3-CE1 3.59Å; W546-I557 HydrophobicContact CZ3-CG1 3.92Å; W546-R560 HydrophobicContact CH2-CB 3.77Å; W546-R560 HydrophobicContact CH2-CG 3.94Å; W546-R560 HydrophobicContact CZ2-CB 4.11Å; W546-R560 HydrophobicContact CZ2-CG 3.8Å
547	P	68	Low	70.2	Confident	56 Å²	56	53.6 Å²	53.6	36%	0.364	27%	0.274	S	S	.	.			trans	-54.4	142.4	168.2	-21.6	31.2	0	0	0	111	D549 C550 Y551	P547-D549 PolarHBondContact O-N 3Å; P547-C550 WeakPolarHBondContact O-CB 3.49Å; P547-C550 PolarHBondContact O-N 3.01Å; P547-Y551 WeakPolarHBondContact O-CD2 3.11Å
548	I	64.8	Low	71.4	Confident	132 Å²	132	48 Å²	48	68%	0.677	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-51.2	-33.5	-179.3	-64.4	169.9	0	0	0	111.6	C550 Y551	I548-C550 VanDerWaalsContact C-N 3.31Å; I548-C550 PolarHBondContact O-N 3.43Å; I548-Y551 WeakPolarHBondContact O-CB 3.22Å; I548-Y551 WeakPolarHBondContact O-CD2 3.17Å; I548-Y551 PolarHBondContact O-N 3.11Å
549	D	60	Low	72	Confident	48 Å²	48	52.8 Å²	52.8	26%	0.257	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-67.2	-29.3	-177.8	-57.8	-38.4	0	0	0	113.8	P547 Y551 Y552 S707	P547-D549 PolarHBondContact O-N 3Å; D549-Y551 VanDerWaalsContact C-N 3.25Å; D549-Y551 PolarHBondContact O-N 3.31Å; D549-Y552 PolarHBondContact O-N 3.47Å; D549-S707 VanDerWaalsContact CB-CB 3.46Å; D549-S707 WeakPolarHBondContact OD1-CB 3.36Å; D549-S707 PolarHBondContact OD1-OG 3.44Å; D549-S707 WeakPolarHBondContact OD2-CB 3.46Å; D549-S707 PolarHBondContact OD2-OG 3.42Å
550	C	67.9	Low	72.8	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.034	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-73.5	-22	-177	-56.1	0	0	0	0	112.1	I538 W546 P547 I548 Y552 D553	I538-C550 HydrophobicContact CD1-CB 3.88Å; I538-C550 WeakPolarHBondContact CD1-SG 3.34Å; W546-C550 HydrophobicContact CB-CB 4.39Å; W546-C550 HydrophobicContact CE3-CB 4.11Å; P547-C550 WeakPolarHBondContact O-CB 3.49Å; P547-C550 PolarHBondContact O-N 3.01Å; I548-C550 VanDerWaalsContact C-N 3.31Å; I548-C550 PolarHBondContact O-N 3.43Å; C550-Y552 PolarHBondContact O-N 3.17Å; C550-D553 PolarHBondContact O-N 3.15Å
551	Y	69.7	Low	73.7	Confident	39 Å²	39	48.6 Å²	48.6	15%	0.153	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-70.8	-11.4	177.9	-69.4	-77.8	0	0	0	113.7	F543 W546 P547 I548 D549 W635	F543-Y551 HydrophobicContact CD2-CE1 4.47Å; F543-Y551 AromaticContact CE1-CE1 3.87Å; F543-Y551 HydrophobicContact CE1-CE1 3.87Å; F543-Y551 HydrophobicContact CE2-CD1 4.14Å; F543-Y551 AromaticContact CE2-CE1 3.84Å; F543-Y551 HydrophobicContact CE2-CE1 3.84Å; F543-Y551 AromaticContact CZ-CD1 3.85Å; F543-Y551 HydrophobicContact CZ-CD1 3.85Å; F543-Y551 AromaticContact CZ-CE1 3.51Å; F543-Y551 HydrophobicContact CZ-CE1 3.51Å; F543-Y551 PolarHBondContact O-OH 3.1Å; W546-Y551 HydrophobicContact CB-CE2 4.01Å; W546-Y551 WeakPolarHBondContact O-CE2 3.42Å; P547-Y551 WeakPolarHBondContact O-CD2 3.11Å; I548-Y551 WeakPolarHBondContact O-CB 3.22Å; I548-Y551 WeakPolarHBondContact O-CD2 3.17Å; I548-Y551 PolarHBondContact O-N 3.11Å; D549-Y551 VanDerWaalsContact C-N 3.25Å; D549-Y551 PolarHBondContact O-N 3.31Å; Y551-W635 HydrophobicContact CD1-CD2 4.16Å; Y551-W635 AromaticContact CD1-CE2 3.43Å; Y551-W635 VanDerWaalsContact CD1-CE2 3.43Å; Y551-W635 HydrophobicContact CD1-CH2 4.3Å; Y551-W635 AromaticContact CD1-CZ2 3.56Å; Y551-W635 HydrophobicContact CD1-CZ2 3.56Å; Y551-W635 AromaticContact CD1-NE1 3.43Å; Y551-W635 AromaticContact CE1-NE1 3.74Å; Y551-W635 HydrophobicContact CG-CZ2 4.02Å; Y551-W635 VanDerWaalsContact O-CH2 3.31Å; Y551-W635 WeakPolarHBondContact O-CH2 3.27Å
552	Y	68.5	Low	74	Confident	101 Å²	101	46.5 Å²	46.5	40%	0.396	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-83.5	-17.5	174.4	-69.5	-74.5	0	0	0	113.2	D549 C550 L554 S647	D549-Y552 PolarHBondContact O-N 3.47Å; C550-Y552 PolarHBondContact O-N 3.17Å; Y552-L554 PolarHBondContact O-N 3.5Å; Y552-S647 WeakPolarHBondContact CA-OG 3.41Å; Y552-S647 WeakPolarHBondContact O-CA 3.42Å; Y552-S647 WeakPolarHBondContact O-CB 3.49Å; Y552-S647 PolarHBondContact O-OG 2.97Å
553	D	71.9	Confident	74.3	Confident	33 Å²	33	44.3 Å²	44.3	18%	0.176	21%	0.214	C	C	.	.			trans	-90.3	91.2	178	-172.7	-15.5	0	0	0	110.6	W530 C550 D555 Y556 I557	W530-D553 WeakPolarHBondContact CH2-OD1 3.36Å; W530-D553 VanDerWaalsContact CZ3-OD1 3.29Å; W530-D553 WeakPolarHBondContact CZ3-OD1 3.48Å; W530-D553 WeakPolarHBondContact CZ3-OD2 3.46Å; C550-D553 PolarHBondContact O-N 3.15Å; D553-D555 VanDerWaalsContact C-N 3.26Å; D553-D555 PolarHBondContact O-N 3.43Å; D553-D555 WeakPolarHBondContact OD1-CB 3.21Å; D553-D555 PolarHBondContact OD1-N 2.85Å; D553-D555 VanDerWaalsContact OD1-N 3.12Å; D553-Y556 PolarHBondContact O-N 2.86Å; D553-Y556 PolarHBondContact OD1-N 2.82Å; D553-I557 VanDerWaalsContact O-CG1 3.3Å; D553-I557 WeakPolarHBondContact O-CG1 3.44Å; D553-I557 PolarHBondContact O-N 2.63Å
554	L	74.2	Confident	74.5	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-30.1	178.7	-80.9	163.6	0	0	0	112.9	I444 Y552 I557 L558 L636 L648	I444-L554 HydrophobicContact CD1-CB 3.75Å; I444-L554 HydrophobicContact CD1-CD1 4.36Å; I444-L554 HydrophobicContact CG1-CB 3.79Å; I444-L554 HydrophobicContact CG2-CB 4.14Å; I444-L554 HydrophobicContact CG2-CD1 4.36Å; Y552-L554 PolarHBondContact O-N 3.5Å; L554-I557 PolarHBondContact O-N 3.18Å; L554-L558 WeakPolarHBondContact O-CG 3.21Å; L554-L558 PolarHBondContact O-N 3.32Å; L554-L636 HydrophobicContact CD2-CD2 3.96Å; L554-L648 HydrophobicContact CD1-CD2 4.25Å
555	D	72.3	Confident	75	Confident	28 Å²	28	36.9 Å²	36.9	15%	0.15	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-44	-179.2	-80	-33.5	0	0	0	110.4	S442 I444 W530 D553 L558 H559 H651	S442-D555 VanDerWaalsContact CB-CG 3.47Å; S442-D555 WeakPolarHBondContact CB-OD1 3.47Å; S442-D555 WeakPolarHBondContact CB-OD2 3.4Å; S442-D555 VanDerWaalsContact OG-CG 3.26Å; S442-D555 PolarHBondContact OG-OD1 3.1Å; S442-D555 PolarHBondContact OG-OD2 3.1Å; I444-D555 WeakPolarHBondContact CB-OD1 3.43Å; I444-D555 WeakPolarHBondContact CG1-OD1 3.24Å; W530-D555 HydrophobicContact CH2-CB 4.31Å; W530-D555 HydrophobicContact CZ3-CB 4.19Å; D553-D555 VanDerWaalsContact C-N 3.26Å; D553-D555 PolarHBondContact O-N 3.43Å; D553-D555 WeakPolarHBondContact OD1-CB 3.21Å; D553-D555 PolarHBondContact OD1-N 2.85Å; D553-D555 VanDerWaalsContact OD1-N 3.12Å; D555-L558 PolarHBondContact O-N 2.97Å; D555-H559 WeakPolarHBondContact O-CB 3.38Å; D555-H559 PolarHBondContact O-N 3.15Å; D555-H651 IonicContact OD2-CD2 2.94Å; D555-H651 IonicContact OD2-CE1 3.18Å; D555-H651 IonicContact OD2-NE2 2.78Å; D555-H651 PolarHBondContact OD2-NE2 3.4Å
556	Y	71.5	Confident	75.1	Confident	23 Å²	23	35.9 Å²	35.9	9%	0.09	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-36.1	177.8	-173	-108.5	0	0	0	112.9	I535 I538 N539 W546 D553 H559 R560	I535-Y556 HydrophobicContact CG2-CE2 4.3Å; I538-Y556 HydrophobicContact CB-CE1 4.22Å; I538-Y556 HydrophobicContact CD1-CE1 4.02Å; I538-Y556 HydrophobicContact CG2-CE1 3.76Å; N539-Y556 PolarHBondContact OD1-OH 2.76Å; W546-Y556 HydrophobicContact CE3-CD1 4.35Å; W546-Y556 HydrophobicContact CE3-CE1 4.31Å; W546-Y556 AromaticContact CH2-CD1 3.34Å; W546-Y556 HydrophobicContact CH2-CD1 3.34Å; W546-Y556 AromaticContact CH2-CE1 3.13Å; W546-Y556 HydrophobicContact CH2-CE1 3.13Å; W546-Y556 HydrophobicContact CZ2-CD1 4.18Å; W546-Y556 AromaticContact CZ2-CE1 3.5Å; W546-Y556 HydrophobicContact CZ2-CE1 3.5Å; W546-Y556 AromaticContact CZ3-CD1 3.44Å; W546-Y556 HydrophobicContact CZ3-CD1 3.44Å; W546-Y556 VanDerWaalsContact CZ3-CD1 3.44Å; W546-Y556 AromaticContact CZ3-CE1 3.59Å; W546-Y556 HydrophobicContact CZ3-CE1 3.59Å; D553-Y556 PolarHBondContact O-N 2.86Å; D553-Y556 PolarHBondContact OD1-N 2.82Å; Y556-H559 WeakPolarHBondContact O-CB 3.43Å; Y556-H559 PolarHBondContact O-N 3.07Å; Y556-R560 WeakPolarHBondContact O-CB 3.12Å; Y556-R560 PolarHBondContact O-N 2.9Å
557	I	79.8	Confident	75.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-44.1	176.4	-63.4	170	0	0	0	110.5	F543 W546 D553 L554 R560 F561 I632 W635	F543-I557 HydrophobicContact CE2-CG1 4.23Å; F543-I557 HydrophobicContact CE2-CG2 4.2Å; F543-I557 HydrophobicContact CZ-CG2 4.43Å; W546-I557 HydrophobicContact CZ3-CG1 3.92Å; D553-I557 VanDerWaalsContact O-CG1 3.3Å; D553-I557 WeakPolarHBondContact O-CG1 3.44Å; D553-I557 PolarHBondContact O-N 2.63Å; L554-I557 PolarHBondContact O-N 3.18Å; I557-R560 PolarHBondContact O-N 3.14Å; I557-F561 WeakPolarHBondContact O-CB 3.05Å; I557-F561 PolarHBondContact O-N 2.73Å; I557-I632 HydrophobicContact CG2-CG2 3.51Å; I557-W635 HydrophobicContact CD1-CE3 4.32Å; I557-W635 HydrophobicContact CD1-CH2 3.3Å; I557-W635 HydrophobicContact CD1-CZ2 4.26Å; I557-W635 HydrophobicContact CD1-CZ3 3.36Å; I557-W635 HydrophobicContact CG1-CZ3 4.5Å; I557-W635 HydrophobicContact CG2-CE3 4.44Å; I557-W635 HydrophobicContact CG2-CZ3 4.11Å
558	L	80.6	Confident	75.8	Confident	11 Å²	11	34.2 Å²	34.2	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-35.1	175.2	-69.8	-172.4	0	0	0	112.4	L443 I444 L480 L490 L554 D555 F561 N562	L443-L558 HydrophobicContact CD2-CD1 4.04Å; I444-L558 HydrophobicContact CD1-CD1 3.48Å; I444-L558 VanDerWaalsContact CD1-CD1 3.48Å; I444-L558 HydrophobicContact CD1-CG 4.41Å; I444-L558 HydrophobicContact CG1-CD1 3.97Å; L480-L558 HydrophobicContact CD1-CD2 3.87Å; L480-L558 HydrophobicContact CD2-CD2 3.96Å; L490-L558 HydrophobicContact CD1-CB 3.96Å; L490-L558 HydrophobicContact CD1-CD1 4.39Å; L490-L558 HydrophobicContact CD1-CD2 4.2Å; L490-L558 HydrophobicContact CD1-CG 4.43Å; L554-L558 WeakPolarHBondContact O-CG 3.21Å; L554-L558 PolarHBondContact O-N 3.32Å; D555-L558 PolarHBondContact O-N 2.97Å; L558-F561 WeakPolarHBondContact O-CB 3.5Å; L558-F561 PolarHBondContact O-N 2.85Å; L558-N562 WeakPolarHBondContact O-CB 3.49Å; L558-N562 PolarHBondContact O-N 3.43Å
559	H	77.3	Confident	76.4	Confident	103 Å²	103	33 Å²	33	48%	0.477	15%	0.15	S	C	.	.	H	α-helix	trans	-61.3	-47.4	171.9	-171.8	-78.3	0	0	0	111.2	D555 Y556 F561 N562 E563	D555-H559 WeakPolarHBondContact O-CB 3.38Å; D555-H559 PolarHBondContact O-N 3.15Å; Y556-H559 WeakPolarHBondContact O-CB 3.43Å; Y556-H559 PolarHBondContact O-N 3.07Å; H559-F561 VanDerWaalsContact C-N 3.33Å; H559-F561 PolarHBondContact O-N 2.77Å; H559-N562 WeakPolarHBondContact O-CB 3.47Å; H559-N562 PolarHBondContact O-N 2.73Å; H559-N562 VanDerWaalsContact O-N 3.13Å; H559-E563 VanDerWaalsContact CE1-CD 3.45Å; H559-E563 IonicContact CE1-OE1 3.43Å; H559-E563 PolarHBondContact CE1-OE1 3.15Å; H559-E563 VanDerWaalsContact CE1-OE1 3.3Å; H559-E563 IonicContact ND1-OE1 2.82Å; H559-E563 IonicContact ND1-OE2 3.49Å; H559-E563 WeakPolarHBondContact O-CG 3.26Å; H559-E563 PolarHBondContact O-N 3.13Å
560	R	80.3	Confident	76.9	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-40.9	176.4	-179.4	57.2	169.5	-131.1	-15.9	112	L541 W546 Y556 I557 N562 E563 C564 E628 I632	L541-R560 PolarHBondContact O-NH2 3.01Å; W546-R560 HydrophobicContact CH2-CB 3.77Å; W546-R560 HydrophobicContact CH2-CG 3.94Å; W546-R560 HydrophobicContact CZ2-CB 4.11Å; W546-R560 HydrophobicContact CZ2-CG 3.8Å; Y556-R560 WeakPolarHBondContact O-CB 3.12Å; Y556-R560 PolarHBondContact O-N 2.9Å; I557-R560 PolarHBondContact O-N 3.14Å; R560-N562 VanDerWaalsContact C-N 3.33Å; R560-E563 PolarHBondContact O-N 2.94Å; R560-C564 PolarHBondContact O-N 3.33Å; R560-C564 PolarHBondContact O-SG 3.07Å; R560-E628 IonicContact CZ-OE1 2.75Å; R560-E628 IonicContact CZ-OE2 3.73Å; R560-E628 IonicContact NE-OE1 3.34Å; R560-E628 IonicContact NE-OE2 3.98Å; R560-E628 PolarHBondContact NE-OE2 3.27Å; R560-E628 VanDerWaalsContact NH2-CD 3.28Å; R560-E628 IonicContact NH2-OE1 3.93Å; R560-E628 PolarHBondContact NH2-OE1 3.04Å; R560-E628 IonicContact NH2-OE2 3.72Å; R560-E628 PolarHBondContact NH2-OE2 2.95Å; R560-I632 HydrophobicContact CB-CD1 4.3Å; R560-I632 HydrophobicContact CG-CD1 3.85Å
561	F	84	Confident	76.4	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-58.7	-45.1	173	177	-99.9	0	0	0	111.3	L480 L490 I557 L558 H559 C564 I565 A629 I632 L633	L480-F561 HydrophobicContact CB-CZ 4.38Å; L480-F561 HydrophobicContact CD2-CD1 4.14Å; L480-F561 HydrophobicContact CD2-CE1 3.75Å; L480-F561 HydrophobicContact CD2-CZ 4.4Å; L480-F561 WeakPolarHBondContact O-CZ 3.21Å; L490-F561 HydrophobicContact CD1-CD1 4.23Å; I557-F561 WeakPolarHBondContact O-CB 3.05Å; I557-F561 PolarHBondContact O-N 2.73Å; L558-F561 WeakPolarHBondContact O-CB 3.5Å; L558-F561 PolarHBondContact O-N 2.85Å; H559-F561 VanDerWaalsContact C-N 3.33Å; H559-F561 PolarHBondContact O-N 2.77Å; F561-C564 WeakPolarHBondContact O-CB 3.22Å; F561-C564 PolarHBondContact O-N 2.88Å; F561-I565 HydrophobicContact CD1-CD1 3.88Å; F561-I565 HydrophobicContact CE1-CD1 3.31Å; F561-I565 HydrophobicContact CE1-CG1 4.4Å; F561-I565 HydrophobicContact CE2-CD1 4.29Å; F561-I565 HydrophobicContact CZ-CD1 3.56Å; F561-I565 HydrophobicContact CZ-CG1 4.46Å; F561-I565 WeakPolarHBondContact O-CG1 3.08Å; F561-I565 PolarHBondContact O-N 3.31Å; F561-I565 VanDerWaalsContact O-N 3.09Å; F561-A629 HydrophobicContact CD2-CB 4.04Å; F561-A629 HydrophobicContact CE2-CB 4.15Å; F561-I632 HydrophobicContact CB-CD1 4.31Å; F561-I632 HydrophobicContact CB-CG2 4.35Å; F561-I632 HydrophobicContact CD2-CG2 4.39Å; F561-L633 HydrophobicContact CE2-CD1 4.05Å; F561-L633 HydrophobicContact CE2-CD2 3.88Å; F561-L633 HydrophobicContact CE2-CG 3.8Å; F561-L633 HydrophobicContact CZ-CD2 4.24Å
562	N	82.2	Confident	75.5	Confident	19 Å²	19	40.3 Å²	40.3	10%	0.102	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-41.8	178.1	-152.5	24.4	0	0	0	112.5	C489 L490 L558 H559 R560 C564 I565 L566	C489-N562 WeakPolarHBondContact CA-OD1 3.26Å; C489-N562 WeakPolarHBondContact CB-OD1 3.44Å; L490-N562 PolarHBondContact N-OD1 2.94Å; L490-N562 PolarHBondContact O-ND2 2.81Å; L490-N562 VanDerWaalsContact O-ND2 3.15Å; L558-N562 WeakPolarHBondContact O-CB 3.49Å; L558-N562 PolarHBondContact O-N 3.43Å; H559-N562 WeakPolarHBondContact O-CB 3.47Å; H559-N562 PolarHBondContact O-N 2.73Å; H559-N562 VanDerWaalsContact O-N 3.13Å; R560-N562 VanDerWaalsContact C-N 3.33Å; N562-C564 VanDerWaalsContact C-N 3.31Å; N562-C564 PolarHBondContact O-N 2.8Å; N562-I565 PolarHBondContact O-N 3.31Å; N562-L566 WeakPolarHBondContact O-CG 3.32Å; N562-L566 PolarHBondContact O-N 2.8Å
563	E	80.7	Confident	74.5	Confident	56 Å²	56	41.8 Å²	41.8	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-61.1	-38.7	173.9	-72.4	-177.5	138.7	0	0	112.2	H559 R560 L566 K567 L617	H559-E563 VanDerWaalsContact CE1-CD 3.45Å; H559-E563 IonicContact CE1-OE1 3.43Å; H559-E563 PolarHBondContact CE1-OE1 3.15Å; H559-E563 VanDerWaalsContact CE1-OE1 3.3Å; H559-E563 IonicContact ND1-OE1 2.82Å; H559-E563 IonicContact ND1-OE2 3.49Å; H559-E563 WeakPolarHBondContact O-CG 3.26Å; H559-E563 PolarHBondContact O-N 3.13Å; R560-E563 PolarHBondContact O-N 2.94Å; E563-L566 PolarHBondContact O-N 3.43Å; E563-K567 VanDerWaalsContact O-CB 3.3Å; E563-K567 WeakPolarHBondContact O-CB 3.2Å; E563-K567 PolarHBondContact O-N 2.63Å; E563-L617 HydrophobicContact CB-CD1 3.66Å; E563-L617 HydrophobicContact CB-CD2 4.39Å; E563-L617 HydrophobicContact CG-CD1 4.26Å; E563-L617 WeakPolarHBondContact OE2-CD1 2.96Å
564	C	83.6	Confident	72.9	Confident	0 Å²	0	48 Å²	48	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-41	175.4	-66.9	0	0	0	0	111.7	R560 F561 N562 A568 A629	R560-C564 PolarHBondContact O-N 3.33Å; R560-C564 PolarHBondContact O-SG 3.07Å; F561-C564 WeakPolarHBondContact O-CB 3.22Å; F561-C564 PolarHBondContact O-N 2.88Å; N562-C564 VanDerWaalsContact C-N 3.31Å; N562-C564 PolarHBondContact O-N 2.8Å; C564-A568 WeakPolarHBondContact O-CB 3.38Å; C564-A568 PolarHBondContact O-N 2.83Å; C564-A629 HydrophobicContact CB-CB 3.9Å
565	I	83.4	Confident	71	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-66.5	-47	176.1	-66.7	177	0	0	0	111.1	L487 F561 N562 K567 A568 R569	L487-I565 VanDerWaalsContact C-CG2 3.5Å; L487-I565 HydrophobicContact CB-CG2 4.3Å; L487-I565 VanDerWaalsContact O-CG2 3.31Å; L487-I565 WeakPolarHBondContact O-CG2 3.3Å; F561-I565 HydrophobicContact CD1-CD1 3.88Å; F561-I565 HydrophobicContact CE1-CD1 3.31Å; F561-I565 HydrophobicContact CE1-CG1 4.4Å; F561-I565 HydrophobicContact CE2-CD1 4.29Å; F561-I565 HydrophobicContact CZ-CD1 3.56Å; F561-I565 HydrophobicContact CZ-CG1 4.46Å; F561-I565 WeakPolarHBondContact O-CG1 3.08Å; F561-I565 PolarHBondContact O-N 3.31Å; F561-I565 VanDerWaalsContact O-N 3.09Å; N562-I565 PolarHBondContact O-N 3.31Å; I565-K567 VanDerWaalsContact C-N 3.32Å; I565-K567 PolarHBondContact O-N 2.88Å; I565-A568 WeakPolarHBondContact O-CB 3.37Å; I565-A568 PolarHBondContact O-N 2.9Å; I565-A568 VanDerWaalsContact O-N 3.16Å; I565-R569 PolarHBondContact O-N 3.38Å
566	L	80.6	Confident	69	Low	79 Å²	79	58.2 Å²	58.2	41%	0.414	28%	0.28	S	S	.	.	H	α-helix	trans	-56.6	-47.6	177.2	-78.1	169.5	0	0	0	111.2	C489 N562 E563 A568 R569 E570	C489-L566 WeakPolarHBondContact SG-CD2 3.2Å; N562-L566 WeakPolarHBondContact O-CG 3.32Å; N562-L566 PolarHBondContact O-N 2.8Å; E563-L566 PolarHBondContact O-N 3.43Å; L566-A568 VanDerWaalsContact C-N 3.33Å; L566-A568 PolarHBondContact O-N 2.75Å; L566-R569 WeakPolarHBondContact O-CA 2.91Å; L566-R569 WeakPolarHBondContact O-CB 3.41Å; L566-R569 PolarHBondContact O-N 3.03Å; L566-E570 PolarHBondContact O-N 3.34Å
567	K	79.3	Confident	67	Low	32 Å²	32	64.4 Å²	64.4	14%	0.139	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-38.2	177.4	-171.7	175.1	-180	-170.7	0	112.9	E563 I565 R569 E570 S571 L617 C620 A625	E563-K567 VanDerWaalsContact O-CB 3.3Å; E563-K567 WeakPolarHBondContact O-CB 3.2Å; E563-K567 PolarHBondContact O-N 2.63Å; I565-K567 VanDerWaalsContact C-N 3.32Å; I565-K567 PolarHBondContact O-N 2.88Å; K567-R569 VanDerWaalsContact C-N 3.29Å; K567-R569 PolarHBondContact O-N 3.36Å; K567-E570 PolarHBondContact O-N 2.58Å; K567-S571 PolarHBondContact O-N 2.8Å; K567-L617 HydrophobicContact CD-CD2 3.96Å; K567-L617 WeakPolarHBondContact CD-O 3.5Å; K567-L617 WeakPolarHBondContact CE-O 3.05Å; K567-L617 PolarHBondContact NZ-O 2.77Å; K567-C620 WeakPolarHBondContact CE-O 3.42Å; K567-C620 VanDerWaalsContact NZ-CB 3.3Å; K567-C620 PolarHBondContact NZ-O 2.85Å; K567-C620 PolarHBondContact NZ-SG 2.99Å; K567-A625 HydrophobicContact CB-CB 4.48Å; K567-A625 HydrophobicContact CD-CB 4.3Å
568	A	79.7	Confident	64.5	Low	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-37.5	172.3	0	0	0	0	0	111.2	L487 C564 I565 L566 S571 H572 R622 L626	L487-A568 HydrophobicContact CD2-CB 4.07Å; C564-A568 WeakPolarHBondContact O-CB 3.38Å; C564-A568 PolarHBondContact O-N 2.83Å; I565-A568 WeakPolarHBondContact O-CB 3.37Å; I565-A568 PolarHBondContact O-N 2.9Å; I565-A568 VanDerWaalsContact O-N 3.16Å; L566-A568 VanDerWaalsContact C-N 3.33Å; L566-A568 PolarHBondContact O-N 2.75Å; A568-S571 PolarHBondContact O-OG 2.8Å; A568-H572 PolarHBondContact O-N 2.86Å; A568-R622 HydrophobicContact CB-CG 4.41Å; A568-R622 PolarHBondContact O-NH1 3.36Å; A568-L626 HydrophobicContact CB-CD2 3.7Å; A568-L626 HydrophobicContact CB-CG 4.05Å
569	R	76.6	Confident	62.2	Low	105 Å²	105	78.3 Å²	78.3	40%	0.396	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-46	174.3	-77.7	-174.2	164.4	-171.2	-3	113.9	L487 I565 L566 K567 S571 H572 Q573	L487-R569 HydrophobicContact CB-CG 4.24Å; L487-R569 PolarHBondContact O-NE 2.81Å; L487-R569 PolarHBondContact O-NH2 3.41Å; I565-R569 PolarHBondContact O-N 3.38Å; L566-R569 WeakPolarHBondContact O-CA 2.91Å; L566-R569 WeakPolarHBondContact O-CB 3.41Å; L566-R569 PolarHBondContact O-N 3.03Å; K567-R569 VanDerWaalsContact C-N 3.29Å; K567-R569 PolarHBondContact O-N 3.36Å; R569-S571 PolarHBondContact O-N 2.8Å; R569-H572 WeakPolarHBondContact O-CA 3.35Å; R569-H572 VanDerWaalsContact O-CB 3.23Å; R569-H572 WeakPolarHBondContact O-CB 3.06Å; R569-H572 PolarHBondContact O-N 2.9Å; R569-Q573 PolarHBondContact O-N 2.84Å
570	E	70.5	Confident	59.8	Low	126 Å²	126	81.6 Å²	81.6	59%	0.589	40%	0.403	S	S	*	.	H	α-helix	trans	-56.1	-39.2	179.4	-72.6	176.4	177.5	0	0	111.6	L566 K567 H572	L566-E570 PolarHBondContact O-N 3.34Å; K567-E570 PolarHBondContact O-N 2.58Å; E570-H572 VanDerWaalsContact C-N 3.26Å; E570-H572 PolarHBondContact O-N 2.75Å
571	S	57.8	Low	57.3	Low	36 Å²	36	86.6 Å²	86.6	25%	0.252	44%	0.438	S	S	.	.	H	α-helix	trans	-68.4	-20.8	174.4	68.5	0	0	0	0	114.5	K567 A568 R569 R622	K567-S571 PolarHBondContact O-N 2.8Å; A568-S571 PolarHBondContact O-OG 2.8Å; R569-S571 PolarHBondContact O-N 2.8Å; S571-R622 WeakPolarHBondContact OG-CB 3.31Å; S571-R622 WeakPolarHBondContact OG-CD 3.19Å; S571-R622 WeakPolarHBondContact OG-CG 3.36Å; S571-R622 PolarHBondContact OG-NH1 2.89Å
572	H	50.7	Low	54.7	Low	85 Å²	85	93.2 Å²	93.2	39%	0.394	47%	0.474	S	S	.	.	H	α-helix	trans	-78.9	-43.5	177.7	-129.2	-28.7	0	0	0	111.9	A568 R569 E570 H574 Q575 T576 R622	A568-H572 PolarHBondContact O-N 2.86Å; R569-H572 WeakPolarHBondContact O-CA 3.35Å; R569-H572 VanDerWaalsContact O-CB 3.23Å; R569-H572 WeakPolarHBondContact O-CB 3.06Å; R569-H572 PolarHBondContact O-N 2.9Å; E570-H572 VanDerWaalsContact C-N 3.26Å; E570-H572 PolarHBondContact O-N 2.75Å; H572-H574 PolarHBondContact O-N 3.29Å; H572-Q575 PolarHBondContact O-N 3.19Å; H572-T576 PolarHBondContact O-N 3.29Å; H572-T576 PolarHBondContact O-OG1 2.85Å; H572-R622 VanDerWaalsContact CB-NH1 3.33Å; H572-R622 PolarHBondContact CD2-NH1 2.83Å; H572-R622 PolarHBondContact CD2-NH2 2.81Å; H572-R622 PolarHBondContact NE2-NH2 3.17Å
573	Q	47.6	Very low	52.2	Low	131 Å²	131	99 Å²	99	61%	0.612	51%	0.505	S	S	*	.	H	α-helix	trans	-64.1	-28.3	-179.7	-74.3	-175.5	-15.7	0	0	112.6	R569 Q575	R569-Q573 PolarHBondContact O-N 2.84Å; Q573-Q575 VanDerWaalsContact C-N 3.27Å; Q573-Q575 PolarHBondContact O-N 3.14Å
574	H	39	Very low	49.9	Very low	163 Å²	163	103.9 Å²	103.9	76%	0.755	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.7	172	-79.6	-49.6	0	0	0	114.5	H572	H572-H574 PolarHBondContact O-N 3.29Å
575	Q	32.5	Very low	47.4	Very low	138 Å²	138	110.8 Å²	110.8	65%	0.645	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-24.5	176.4	-74.4	-178.6	-11.7	0	0	113.3	H572 Q573 L577	H572-Q575 PolarHBondContact O-N 3.19Å; Q573-Q575 VanDerWaalsContact C-N 3.27Å; Q573-Q575 PolarHBondContact O-N 3.14Å; Q575-L577 VanDerWaalsContact C-N 3.3Å; Q575-L577 PolarHBondContact O-N 3.31Å
576	T	30.7	Very low	45.2	Very low	112 Å²	112	118.4 Å²	118.4	69%	0.687	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	-4.2	-178.4	1.4	0	0	0	0	114.8	H572	H572-T576 PolarHBondContact O-N 3.29Å; H572-T576 PolarHBondContact O-OG1 2.85Å
577	L	30.2	Very low	42.8	Very low	153 Å²	153	121.8 Å²	121.8	80%	0.801	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	5.9	177.5	-80.2	164.9	0	0	0	114.8	Q575	Q575-L577 VanDerWaalsContact C-N 3.3Å; Q575-L577 PolarHBondContact O-N 3.31Å
578	E	28.1	Very low	40.6	Very low	175 Å²	175	128 Å²	128	82%	0.818	66%	0.663	S	S	*	*			trans	-131.8	62.2	175.1	-72.2	-166.1	162.1	0	0	113.4
579	V	31.1	Very low	38	Very low	128 Å²	128	131 Å²	131	78%	0.776	70%	0.695	S	S	*	*			trans	-144.3	100.7	150.7	-172.9	0	0	0	0	110.9
580	Q	27.2	Very low	35.7	Very low	171 Å²	171	133.7 Å²	133.7	80%	0.799	72%	0.717	S	S	*	*			trans	27.5	115.1	137.9	-73.9	168.1	-25.1	0	0	119.3	D582	Q580-D582 PolarHBondContact O-N 2.72Å
581	S	27	Very low	33.8	Very low	108 Å²	108	135.5 Å²	135.5	76%	0.755	73%	0.729	S	S	*	*			trans	-37.1	122.7	138.4	52.2	0	0	0	0	111.5
582	D	29.8	Very low	32.3	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	76%	0.756	S	S	*	*			trans	-168.2	111.2	143	-85.6	-24.1	0	0	0	107.7	Q580	Q580-D582 PolarHBondContact O-N 2.72Å
583	D	30.1	Very low	31.2	Very low	140 Å²	140	148.8 Å²	148.8	75%	0.749	78%	0.777	S	S	*	*			trans	28.3	115.2	139.6	-55.4	-21.9	0	0	0	119.2
584	D	32.6	Very low	30.2	Very low	158 Å²	158	150 Å²	150	85%	0.845	79%	0.788	S	S	*	*				169.3	142.8	102.3	-89.8	-31.1	0	0	0	111.3
585	D	32.1	Very low	29.7	Very low	145 Å²	145	148.1 Å²	148.1	78%	0.775	79%	0.787	S	S	*	*			trans	-56.2	139.2	177.1	-62.1	-59.6	0	0	0	113.6
586	D	35.3	Very low	29.6	Very low	161 Å²	161	152 Å²	152	86%	0.861	80%	0.797	S	S	*	*				174.6	139.9	125.2	-87.7	-27.1	0	0	0	112.1
587	D	30.5	Very low	29.5	Very low	150 Å²	150	153.3 Å²	153.3	80%	0.802	80%	0.8	S	S	*	*			trans	-43.8	136.8	178.3	-77.6	-51.2	0	0	0	116.1
588	D	32.7	Very low	29.4	Very low	163 Å²	163	154.2 Å²	154.2	87%	0.872	80%	0.801	S	S	*	*				169.1	124.2	116.5	-90	-31.4	0	0	0	112.5
589	G	26.3	Very low	29.2	Very low	64 Å²	64	152.1 Å²	152.1	66%	0.66	80%	0.8	S	S	*	*			trans	76.9	110.3	136.6	0	0	0	0	0	120.2
590	D	28.2	Very low	28.9	Very low	160 Å²	160	150.7 Å²	150.7	86%	0.856	80%	0.796	S	S	*	*			trans	67.3	61.7	143.9	-55.2	-21.5	0	0	0	118.9
591	I	30.2	Very low	28.9	Very low	165 Å²	165	148.6 Å²	148.6	85%	0.846	80%	0.797	S	S	*	*			trans	-95.4	72.9	150.7	-52.2	174.3	0	0	0	107.5
592	Y	26	Very low	28.7	Very low	210 Å²	210	148.4 Å²	148.4	82%	0.824	80%	0.796	S	S	*	*			trans	-115.5	55.4	175.5	-149.3	-83.3	0	0	0	110.6
593	F	27.5	Very low	28.4	Very low	189 Å²	189	146.8 Å²	146.8	83%	0.829	80%	0.795	S	S	*	*	S	Bend	trans	-172.1	83.1	162.2	-92.6	-72	0	0	0	107.3
594	D	28	Very low	28.2	Very low	158 Å²	158	147.8 Å²	147.8	85%	0.845	80%	0.795	S	S	*	*			trans	-179.4	59.6	157.3	-89	-19.6	0	0	0	110.1
595	V	26.9	Very low	27.8	Very low	122 Å²	122	146.1 Å²	146.1	74%	0.739	79%	0.786	S	S	*	*			trans	-142.9	86.9	161	-170.8	0	0	0	0	107.9
596	Y	30.9	Very low	27.3	Very low	219 Å²	219	147 Å²	147	86%	0.859	79%	0.791	S	S	*	*			trans	-95.4	111.7	151.9	-87.4	-81	0	0	0	106.5	E598	Y596-E598 PolarHBondContact O-N 2.76Å; Y596-E598 VanDerWaalsContact O-N 3.13Å
597	D	28.1	Very low	27	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	79%	0.792	S	S	*	*			trans	-52.2	114.7	174.4	-78.1	-40.5	0	0	0	109.8	T599	D597-T599 VanDerWaalsContact C-N 3.34Å; D597-T599 PolarHBondContact O-N 2.8Å
598	E	28.4	Very low	26.5	Very low	173 Å²	173	148 Å²	148	81%	0.808	79%	0.792	S	S	*	*			trans	-63.9	97.1	162.7	-72.7	-170.4	166.8	0	0	108	Y596 S600	Y596-E598 PolarHBondContact O-N 2.76Å; Y596-E598 VanDerWaalsContact O-N 3.13Å; E598-S600 PolarHBondContact O-N 3.39Å
599	T	25.4	Very low	26	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	79%	0.787	S	S	*	*			trans	-66.5	91.3	154.7	45.3	0	0	0	0	107.3	D597 P601	D597-T599 VanDerWaalsContact C-N 3.34Å; D597-T599 PolarHBondContact O-N 2.8Å; T599-P601 WeakPolarHBondContact O-CD 3.36Å
600	S	24.1	Very low	26	Very low	98 Å²	98	149.2 Å²	149.2	69%	0.685	80%	0.797	S	S	*	*			trans	-45	120.6	169.1	54.7	0	0	0	0	110	E598 S602	E598-S600 PolarHBondContact O-N 3.39Å; S600-S602 PolarHBondContact O-N 3.15Å; S600-S602 VanDerWaalsContact O-N 3.13Å
601	P	27.1	Very low	25.8	Very low	126 Å²	126	152.8 Å²	152.8	82%	0.818	80%	0.799	S	S	*	*			trans	-64.1	117.9	172.9	-16.2	28.9	0	0	0	108.5	T599 S603	T599-P601 WeakPolarHBondContact O-CD 3.36Å; P601-S603 PolarHBondContact O-N 3.43Å
602	S	23.4	Very low	25.8	Very low	105 Å²	105	150.6 Å²	150.6	73%	0.734	80%	0.795	S	S	*	*			trans	-51.7	125.5	172.5	51.4	0	0	0	0	110.7	S600 H604	S600-S602 PolarHBondContact O-N 3.15Å; S600-S602 VanDerWaalsContact O-N 3.13Å; S602-H604 PolarHBondContact O-N 2.86Å
603	S	23.1	Very low	26.2	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	79%	0.792	S	S	*	*			trans	-43.9	119	167.9	53.1	0	0	0	0	112.7	P601	P601-S603 PolarHBondContact O-N 3.43Å
604	H	25	Very low	27	Very low	161 Å²	161	145.3 Å²	145.3	75%	0.745	79%	0.786	S	S	*	*			trans	-147.5	107.6	153.1	-97.9	-68.6	0	0	0	111.3	S602	S602-H604 PolarHBondContact O-N 2.86Å
605	D	24.4	Very low	28.5	Very low	122 Å²	122	140.3 Å²	140.3	65%	0.652	76%	0.759	S	S	*	*			trans	65.7	95.9	136.9	-56	-29.1	0	0	0	121.4	V607	D605-V607 PolarHBondContact O-N 3.41Å
606	D	22.7	Very low	30.5	Very low	164 Å²	164	136.7 Å²	136.7	88%	0.877	73%	0.732	S	S	*	*				31.3	78	120.3	-75.1	-20.3	0	0	0	117.9
607	V	27.6	Very low	32	Very low	146 Å²	146	127 Å²	127	89%	0.885	70%	0.695	S	S	*	*			trans	-98.9	111.9	156	-178.8	0	0	0	0	110	D605	D605-V607 PolarHBondContact O-N 3.41Å
608	K	20.6	Very low	33.9	Very low	185 Å²	185	125.7 Å²	125.7	80%	0.804	69%	0.688	S	S	*	*			trans	-55.9	129.3	-179.1	-67.7	169.1	176.4	168.9	0	114
609	S	21.7	Very low	35.8	Very low	110 Å²	110	121.9 Å²	121.9	77%	0.769	69%	0.686	S	S	*	*			trans	48.9	93.5	135.4	69.9	0	0	0	0	118.9
610	V	27.1	Very low	38	Very low	143 Å²	143	116.4 Å²	116.4	87%	0.867	65%	0.653	S	S	*	*			trans	-130.6	128.3	142.8	-179.4	0	0	0	0	107
611	R	23.6	Very low	40.6	Very low	236 Å²	236	114.4 Å²	114.4	89%	0.891	64%	0.639	S	S	*	*			trans	-49	129.6	-172.9	-63.8	172.9	177.4	177.7	-2.1	111.7	K613	R611-K613 PolarHBondContact O-N 2.96Å
612	P	30	Very low	43.1	Very low	118 Å²	118	111 Å²	111	77%	0.766	61%	0.61	S	S	*	*			trans	-74.1	113.9	-176.8	30	-30.8	0	0	0	108.8	T614	P612-T614 PolarHBondContact O-N 3.39Å
613	K	35.1	Very low	45.8	Very low	174 Å²	174	111.7 Å²	111.7	76%	0.757	61%	0.605	S	S	*	*			trans	-71.4	112.2	157	-81.8	178.8	175.8	177.6	0	105.2	R611 N615	R611-K613 PolarHBondContact O-N 2.96Å; K613-N615 PolarHBondContact O-N 3.16Å
614	T	43.2	Very low	48.6	Very low	114 Å²	114	109.7 Å²	109.7	70%	0.699	59%	0.586	S	S	*	*			trans	-45.9	114.1	-177.2	46.1	0	0	0	0	112	P612	P612-T614 PolarHBondContact O-N 3.39Å
615	N	59.4	Low	51.3	Low	53 Å²	53	102 Å²	102	28%	0.283	55%	0.551	S	S	.	*			trans	-69.2	138.1	164.7	-70.2	-27.3	0	0	0	107.4	N539 K613 L617 D618	N539-N615 WeakPolarHBondContact CB-OD1 3.14Å; N539-N615 PolarHBondContact ND2-OD1 3.19Å; K613-N615 PolarHBondContact O-N 3.16Å; N615-L617 PolarHBondContact O-N 3.43Å; N615-D618 WeakPolarHBondContact CB-OD2 3.15Å; N615-D618 PolarHBondContact N-OD2 2.89Å; N615-D618 WeakPolarHBondContact O-CB 3.16Å; N615-D618 PolarHBondContact O-N 3.09Å
616	W	69.1	Low	54.2	Low	46 Å²	46	97.6 Å²	97.6	17%	0.174	53%	0.527	C	S	.	.	H	α-helix	trans	-57.4	-34.8	174.9	172.1	89.9	0	0	0	111.4	N539 K542 D618 A619 C620 D624 E628	N539-W616 PolarHBondContact O-N 3.03Å; K542-W616 HydrophobicContact CD-CZ2 4.38Å; K542-W616 HydrophobicContact CG-CD2 4.43Å; K542-W616 HydrophobicContact CG-CZ2 3.97Å; W616-D618 PolarHBondContact O-N 2.84Å; W616-A619 PolarHBondContact O-N 2.8Å; W616-A619 VanDerWaalsContact O-N 3.14Å; W616-C620 HydrophobicContact CD2-CB 4.12Å; W616-C620 HydrophobicContact CE3-CB 4.08Å; W616-C620 HydrophobicContact CH2-CB 3.76Å; W616-C620 WeakPolarHBondContact CH2-SG 3.46Å; W616-C620 HydrophobicContact CZ2-CB 3.73Å; W616-C620 HydrophobicContact CZ3-CB 3.89Å; W616-C620 PolarHBondContact O-N 3.48Å; W616-D624 HydrophobicContact CH2-CB 4.47Å; W616-D624 HydrophobicContact CZ2-CB 4.43Å; W616-E628 HydrophobicContact CH2-CB 3.95Å; W616-E628 HydrophobicContact CH2-CG 4.33Å; W616-E628 VanDerWaalsContact CH2-OE2 3.31Å; W616-E628 WeakPolarHBondContact CH2-OE2 3.14Å; W616-E628 HydrophobicContact CZ3-CB 4.42Å; W616-E628 VanDerWaalsContact CZ3-CD 3.47Å; W616-E628 WeakPolarHBondContact CZ3-OE2 3.15Å
617	L	63.2	Low	57	Low	15 Å²	15	92.4 Å²	92.4	8%	0.079	50%	0.503	C	S	.	.	H	α-helix	trans	-64.2	-13	173.1	-81.9	157.1	0	0	0	113.8	E563 K567 N615	E563-L617 HydrophobicContact CB-CD1 3.66Å; E563-L617 HydrophobicContact CB-CD2 4.39Å; E563-L617 HydrophobicContact CG-CD1 4.26Å; E563-L617 WeakPolarHBondContact OE2-CD1 2.96Å; K567-L617 HydrophobicContact CD-CD2 3.96Å; K567-L617 WeakPolarHBondContact CD-O 3.5Å; K567-L617 WeakPolarHBondContact CE-O 3.05Å; K567-L617 PolarHBondContact NZ-O 2.77Å; N615-L617 PolarHBondContact O-N 3.43Å
618	D	68.1	Low	59.8	Low	114 Å²	114	85.8 Å²	85.8	61%	0.61	46%	0.463	S	S	*	.	H	α-helix	trans	-81.8	-27.4	173.4	-58.8	-26	0	0	0	111.1	N615 W616	N615-D618 WeakPolarHBondContact CB-OD2 3.15Å; N615-D618 PolarHBondContact N-OD2 2.89Å; N615-D618 WeakPolarHBondContact O-CB 3.16Å; N615-D618 PolarHBondContact O-N 3.09Å; W616-D618 PolarHBondContact O-N 2.84Å
619	A	67.2	Low	62.9	Low	93 Å²	93	77 Å²	77	77%	0.769	42%	0.424	S	S	*	.	H	α-helix	trans	-102.8	-12.8	-171.9	0	0	0	0	0	114.9	W616	W616-A619 PolarHBondContact O-N 2.8Å; W616-A619 VanDerWaalsContact O-N 3.14Å
620	C	72.7	Confident	65.9	Low	16 Å²	16	76.3 Å²	76.3	11%	0.108	41%	0.409	C	S	.	.			trans	-78.7	155.8	-173.5	124.6	0	0	0	0	113.3	K567 W616 D624 A625	K567-C620 WeakPolarHBondContact CE-O 3.42Å; K567-C620 VanDerWaalsContact NZ-CB 3.3Å; K567-C620 PolarHBondContact NZ-O 2.85Å; K567-C620 PolarHBondContact NZ-SG 2.99Å; W616-C620 HydrophobicContact CD2-CB 4.12Å; W616-C620 HydrophobicContact CE3-CB 4.08Å; W616-C620 HydrophobicContact CH2-CB 3.76Å; W616-C620 WeakPolarHBondContact CH2-SG 3.46Å; W616-C620 HydrophobicContact CZ2-CB 3.73Å; W616-C620 HydrophobicContact CZ3-CB 3.89Å; W616-C620 PolarHBondContact O-N 3.48Å; C620-D624 HydrophobicContact CB-CB 4.03Å; C620-D624 WeakPolarHBondContact SG-CB 3.23Å; C620-A625 PolarHBondContact SG-N 3.23Å; C620-A625 VanDerWaalsContact SG-N 3.36Å
621	S	77.7	Confident	68.8	Low	55 Å²	55	71 Å²	71	39%	0.385	38%	0.377	S	S	.	.			trans	-84.1	168.2	174.7	71.8	0	0	0	0	112.4	N623 D624 A625	S621-N623 VanDerWaalsContact C-N 3.28Å; S621-N623 PolarHBondContact O-N 2.94Å; S621-D624 VanDerWaalsContact CB-OD2 3.31Å; S621-D624 WeakPolarHBondContact CB-OD2 3.38Å; S621-D624 PolarHBondContact N-OD2 2.84Å; S621-D624 WeakPolarHBondContact O-CB 3.32Å; S621-D624 PolarHBondContact O-N 3.01Å; S621-D624 VanDerWaalsContact O-N 3.13Å; S621-D624 PolarHBondContact OG-N 2.94Å; S621-D624 PolarHBondContact OG-OD2 2.94Å; S621-A625 PolarHBondContact O-N 3.26Å
622	R	79.6	Confident	71.7	Confident	55 Å²	55	59.7 Å²	59.7	21%	0.208	33%	0.334	C	S	.	.	H	α-helix	trans	-52.1	-48.1	172.2	180	-171.7	174.1	110.1	-10	111.8	A568 S571 H572 D624 A625 L626	A568-R622 HydrophobicContact CB-CG 4.41Å; A568-R622 PolarHBondContact O-NH1 3.36Å; S571-R622 WeakPolarHBondContact OG-CB 3.31Å; S571-R622 WeakPolarHBondContact OG-CD 3.19Å; S571-R622 WeakPolarHBondContact OG-CG 3.36Å; S571-R622 PolarHBondContact OG-NH1 2.89Å; H572-R622 VanDerWaalsContact CB-NH1 3.33Å; H572-R622 PolarHBondContact CD2-NH1 2.83Å; H572-R622 PolarHBondContact CD2-NH2 2.81Å; H572-R622 PolarHBondContact NE2-NH2 3.17Å; R622-D624 VanDerWaalsContact C-N 3.28Å; R622-D624 PolarHBondContact O-N 3.47Å; R622-A625 PolarHBondContact O-N 2.93Å; R622-L626 HydrophobicContact CG-CD1 4.16Å; R622-L626 WeakPolarHBondContact O-CG 3.24Å; R622-L626 PolarHBondContact O-N 3.33Å
623	N	80	Confident	74.4	Confident	119 Å²	119	54.4 Å²	54.4	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-66.4	-34.6	-178.5	-65.9	-13.1	0	0	0	111.1	S621 S627	S621-N623 VanDerWaalsContact C-N 3.28Å; S621-N623 PolarHBondContact O-N 2.94Å; N623-S627 VanDerWaalsContact O-CB 3.26Å; N623-S627 WeakPolarHBondContact O-CB 3.47Å; N623-S627 PolarHBondContact O-N 3.33Å; N623-S627 PolarHBondContact O-OG 3.07Å
624	D	81.7	Confident	76.8	Confident	64 Å²	64	50.3 Å²	50.3	34%	0.342	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-41.1	174.1	-63.5	-47.5	0	0	0	111.4	W616 C620 S621 R622 S627 E628	W616-D624 HydrophobicContact CH2-CB 4.47Å; W616-D624 HydrophobicContact CZ2-CB 4.43Å; C620-D624 HydrophobicContact CB-CB 4.03Å; C620-D624 WeakPolarHBondContact SG-CB 3.23Å; S621-D624 VanDerWaalsContact CB-OD2 3.31Å; S621-D624 WeakPolarHBondContact CB-OD2 3.38Å; S621-D624 PolarHBondContact N-OD2 2.84Å; S621-D624 WeakPolarHBondContact O-CB 3.32Å; S621-D624 PolarHBondContact O-N 3.01Å; S621-D624 VanDerWaalsContact O-N 3.13Å; S621-D624 PolarHBondContact OG-N 2.94Å; S621-D624 PolarHBondContact OG-OD2 2.94Å; R622-D624 VanDerWaalsContact C-N 3.28Å; R622-D624 PolarHBondContact O-N 3.47Å; D624-S627 WeakPolarHBondContact CA-OG 3.34Å; D624-S627 PolarHBondContact O-N 3.05Å; D624-S627 PolarHBondContact O-OG 3.32Å; D624-E628 PolarHBondContact O-N 3.47Å
625	A	82.6	Confident	78.9	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-44.9	177.5	0	0	0	0	0	111.6	K567 C620 S621 R622 E628 A629	K567-A625 HydrophobicContact CB-CB 4.48Å; K567-A625 HydrophobicContact CD-CB 4.3Å; C620-A625 PolarHBondContact SG-N 3.23Å; C620-A625 VanDerWaalsContact SG-N 3.36Å; S621-A625 PolarHBondContact O-N 3.26Å; R622-A625 PolarHBondContact O-N 2.93Å; A625-E628 PolarHBondContact O-N 3.06Å; A625-A629 PolarHBondContact O-N 2.74Å
626	L	84.4	Confident	80	Confident	30 Å²	30	45.2 Å²	45.2	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-42.7	174.6	-68.8	175.2	0	0	0	111.6	Y484 L487 A568 R622 E628 A629 E630	Y484-L626 HydrophobicContact CD2-CD2 4.5Å; Y484-L626 HydrophobicContact CE2-CB 4.36Å; Y484-L626 HydrophobicContact CE2-CD2 3.81Å; L487-L626 HydrophobicContact CD2-CD2 3.65Å; A568-L626 HydrophobicContact CB-CD2 3.7Å; A568-L626 HydrophobicContact CB-CG 4.05Å; R622-L626 HydrophobicContact CG-CD1 4.16Å; R622-L626 WeakPolarHBondContact O-CG 3.24Å; R622-L626 PolarHBondContact O-N 3.33Å; L626-E628 VanDerWaalsContact C-N 3.25Å; L626-E628 PolarHBondContact O-N 2.78Å; L626-A629 PolarHBondContact O-N 3.02Å; L626-E630 WeakPolarHBondContact O-CB 3.49Å; L626-E630 PolarHBondContact O-N 3.13Å
627	S	83.5	Confident	80.7	Confident	54 Å²	54	49.6 Å²	49.6	38%	0.378	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-32.8	176	76.8	0	0	0	0	112.4	N623 D624 T631	N623-S627 VanDerWaalsContact O-CB 3.26Å; N623-S627 WeakPolarHBondContact O-CB 3.47Å; N623-S627 PolarHBondContact O-N 3.33Å; N623-S627 PolarHBondContact O-OG 3.07Å; D624-S627 WeakPolarHBondContact CA-OG 3.34Å; D624-S627 PolarHBondContact O-N 3.05Å; D624-S627 PolarHBondContact O-OG 3.32Å; S627-T631 WeakPolarHBondContact O-CG2 3.35Å; S627-T631 PolarHBondContact O-N 3.4Å
628	E	84.8	Confident	81.6	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-73.8	-42.5	176	-166.2	175.6	-132.3	0	0	111.3	K542 F543 R560 W616 D624 A625 L626 E630 T631 I632	K542-E628 WeakPolarHBondContact CA-OE1 3.45Å; F543-E628 HydrophobicContact CB-CG 3.86Å; F543-E628 PolarHBondContact N-OE1 2.9Å; R560-E628 IonicContact CZ-OE1 2.75Å; R560-E628 IonicContact CZ-OE2 3.73Å; R560-E628 IonicContact NE-OE1 3.34Å; R560-E628 IonicContact NE-OE2 3.98Å; R560-E628 PolarHBondContact NE-OE2 3.27Å; R560-E628 VanDerWaalsContact NH2-CD 3.28Å; R560-E628 IonicContact NH2-OE1 3.93Å; R560-E628 PolarHBondContact NH2-OE1 3.04Å; R560-E628 IonicContact NH2-OE2 3.72Å; R560-E628 PolarHBondContact NH2-OE2 2.95Å; W616-E628 HydrophobicContact CH2-CB 3.95Å; W616-E628 HydrophobicContact CH2-CG 4.33Å; W616-E628 VanDerWaalsContact CH2-OE2 3.31Å; W616-E628 WeakPolarHBondContact CH2-OE2 3.14Å; W616-E628 HydrophobicContact CZ3-CB 4.42Å; W616-E628 VanDerWaalsContact CZ3-CD 3.47Å; W616-E628 WeakPolarHBondContact CZ3-OE2 3.15Å; D624-E628 PolarHBondContact O-N 3.47Å; A625-E628 PolarHBondContact O-N 3.06Å; L626-E628 VanDerWaalsContact C-N 3.25Å; L626-E628 PolarHBondContact O-N 2.78Å; E628-E630 VanDerWaalsContact C-N 3.3Å; E628-E630 PolarHBondContact O-N 3.31Å; E628-T631 WeakPolarHBondContact CA-OG1 3.32Å; E628-T631 PolarHBondContact O-N 3.33Å; E628-T631 VanDerWaalsContact O-N 3.09Å; E628-T631 PolarHBondContact O-OG1 3.41Å; E628-I632 WeakPolarHBondContact O-CG1 3.43Å; E628-I632 PolarHBondContact O-N 3.4Å
629	A	85.8	Confident	82	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.6	-42	172.3	0	0	0	0	0	111.9	Y484 F561 C564 A625 L626 T631 I632 L633	Y484-A629 HydrophobicContact CD2-CB 3.86Å; Y484-A629 HydrophobicContact CE2-CB 3.85Å; F561-A629 HydrophobicContact CD2-CB 4.04Å; F561-A629 HydrophobicContact CE2-CB 4.15Å; C564-A629 HydrophobicContact CB-CB 3.9Å; A625-A629 PolarHBondContact O-N 2.74Å; L626-A629 PolarHBondContact O-N 3.02Å; A629-T631 VanDerWaalsContact C-N 3.35Å; A629-T631 PolarHBondContact O-N 3.3Å; A629-I632 WeakPolarHBondContact O-CB 3.18Å; A629-I632 PolarHBondContact O-N 3.47Å; A629-I632 VanDerWaalsContact O-N 3.17Å; A629-L633 WeakPolarHBondContact O-CG 3.48Å; A629-L633 PolarHBondContact O-N 3.41Å
630	E	86.3	Confident	82.4	Confident	97 Å²	97	47.8 Å²	47.8	45%	0.453	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-41.9	173.3	-170.1	175.6	-161	0	0	111.1	L626 E628 I632 L633 D634	L626-E630 WeakPolarHBondContact O-CB 3.49Å; L626-E630 PolarHBondContact O-N 3.13Å; E628-E630 VanDerWaalsContact C-N 3.3Å; E628-E630 PolarHBondContact O-N 3.31Å; E630-I632 VanDerWaalsContact C-N 3.28Å; E630-I632 PolarHBondContact O-N 3.3Å; E630-L633 PolarHBondContact O-N 3.43Å; E630-D634 WeakPolarHBondContact O-CB 3.47Å; E630-D634 PolarHBondContact O-N 3.2Å
631	T	85.9	Confident	82.4	Confident	30 Å²	30	48.7 Å²	48.7	18%	0.184	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-30	175.1	62.1	0	0	0	0	113.6	K544 S627 E628 A629 W635	K544-T631 VanDerWaalsContact CE-CG2 3.5Å; S627-T631 WeakPolarHBondContact O-CG2 3.35Å; S627-T631 PolarHBondContact O-N 3.4Å; E628-T631 WeakPolarHBondContact CA-OG1 3.32Å; E628-T631 PolarHBondContact O-N 3.33Å; E628-T631 VanDerWaalsContact O-N 3.09Å; E628-T631 PolarHBondContact O-OG1 3.41Å; A629-T631 VanDerWaalsContact C-N 3.35Å; A629-T631 PolarHBondContact O-N 3.3Å; T631-W635 WeakPolarHBondContact O-CB 3.28Å; T631-W635 PolarHBondContact O-N 3.06Å
632	I	86.6	Confident	82.1	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-43.7	174	-68.1	166.1	0	0	0	110.1	F543 I557 R560 F561 E628 A629 E630 W635 L636	F543-I632 HydrophobicContact CB-CG1 4.38Å; F543-I632 HydrophobicContact CD1-CG1 3.77Å; F543-I632 HydrophobicContact CD2-CD1 4.33Å; F543-I632 HydrophobicContact CD2-CG1 3.8Å; F543-I632 HydrophobicContact CE1-CB 4.45Å; F543-I632 HydrophobicContact CE1-CG1 3.92Å; F543-I632 HydrophobicContact CE2-CG1 3.95Å; F543-I632 HydrophobicContact CG-CD1 4.45Å; F543-I632 HydrophobicContact CG-CG1 3.71Å; F543-I632 HydrophobicContact CZ-CG1 4Å; I557-I632 HydrophobicContact CG2-CG2 3.51Å; R560-I632 HydrophobicContact CB-CD1 4.3Å; R560-I632 HydrophobicContact CG-CD1 3.85Å; F561-I632 HydrophobicContact CB-CD1 4.31Å; F561-I632 HydrophobicContact CB-CG2 4.35Å; F561-I632 HydrophobicContact CD2-CG2 4.39Å; E628-I632 WeakPolarHBondContact O-CG1 3.43Å; E628-I632 PolarHBondContact O-N 3.4Å; A629-I632 WeakPolarHBondContact O-CB 3.18Å; A629-I632 PolarHBondContact O-N 3.47Å; A629-I632 VanDerWaalsContact O-N 3.17Å; E630-I632 VanDerWaalsContact C-N 3.28Å; E630-I632 PolarHBondContact O-N 3.3Å; I632-W635 PolarHBondContact O-N 3.37Å; I632-L636 HydrophobicContact CG2-CD1 4.21Å; I632-L636 WeakPolarHBondContact O-CG 3.16Å; I632-L636 PolarHBondContact O-N 2.9Å
633	L	85.8	Confident	81.7	Confident	6 Å²	6	51 Å²	51	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-48.2	175.3	-71.5	174.1	0	0	0	111.3	Y477 L480 Y484 F561 A629 E630 W635 L636 K637	Y477-L633 HydrophobicContact CD2-CD2 4.42Å; Y477-L633 HydrophobicContact CE2-CB 4.04Å; Y477-L633 HydrophobicContact CE2-CD2 4.13Å; Y477-L633 VanDerWaalsContact CE2-O 3.3Å; Y477-L633 WeakPolarHBondContact CE2-O 3.3Å; L480-L633 HydrophobicContact CB-CD2 3.81Å; Y484-L633 HydrophobicContact CD1-CD1 4.03Å; Y484-L633 HydrophobicContact CD2-CD1 4.19Å; Y484-L633 HydrophobicContact CG-CD1 3.71Å; F561-L633 HydrophobicContact CE2-CD1 4.05Å; F561-L633 HydrophobicContact CE2-CD2 3.88Å; F561-L633 HydrophobicContact CE2-CG 3.8Å; F561-L633 HydrophobicContact CZ-CD2 4.24Å; A629-L633 WeakPolarHBondContact O-CG 3.48Å; A629-L633 PolarHBondContact O-N 3.41Å; E630-L633 PolarHBondContact O-N 3.43Å; L633-W635 VanDerWaalsContact C-N 3.26Å; L633-W635 PolarHBondContact O-N 2.91Å; L633-L636 PolarHBondContact O-N 3.18Å; L633-K637 WeakPolarHBondContact O-CB 3.24Å; L633-K637 PolarHBondContact O-N 3.45Å
634	D	85.6	Confident	81.5	Confident	89 Å²	89	46 Å²	46	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-58.9	-40.4	176.1	-78.9	-19.1	0	0	0	111.6	E630 K637 S638	E630-D634 WeakPolarHBondContact O-CB 3.47Å; E630-D634 PolarHBondContact O-N 3.2Å; D634-K637 PolarHBondContact O-N 2.57Å; D634-S638 VanDerWaalsContact O-CB 3.3Å; D634-S638 WeakPolarHBondContact O-CB 3.47Å; D634-S638 PolarHBondContact O-N 3.09Å; D634-S638 PolarHBondContact O-OG 3.48Å
635	W	86.3	Confident	81	Confident	44 Å²	44	44.9 Å²	44.9	17%	0.167	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-48.6	175.8	175.4	85.3	0	0	0	111.9	F543 Y551 I557 T631 I632 L633 K637 S638 R639	F543-W635 HydrophobicContact CE1-CB 3.6Å; F543-W635 HydrophobicContact CE1-CD2 4.14Å; F543-W635 AromaticContact CE1-CG 3.71Å; F543-W635 HydrophobicContact CE1-CG 3.71Å; F543-W635 HydrophobicContact CZ-CB 4.1Å; F543-W635 AromaticContact CZ-CD2 3.73Å; F543-W635 HydrophobicContact CZ-CD2 3.73Å; F543-W635 AromaticContact CZ-CE3 3.85Å; F543-W635 HydrophobicContact CZ-CE3 3.85Å; F543-W635 AromaticContact CZ-CG 3.82Å; F543-W635 HydrophobicContact CZ-CG 3.82Å; Y551-W635 HydrophobicContact CD1-CD2 4.16Å; Y551-W635 AromaticContact CD1-CE2 3.43Å; Y551-W635 VanDerWaalsContact CD1-CE2 3.43Å; Y551-W635 HydrophobicContact CD1-CH2 4.3Å; Y551-W635 AromaticContact CD1-CZ2 3.56Å; Y551-W635 HydrophobicContact CD1-CZ2 3.56Å; Y551-W635 AromaticContact CD1-NE1 3.43Å; Y551-W635 AromaticContact CE1-NE1 3.74Å; Y551-W635 HydrophobicContact CG-CZ2 4.02Å; Y551-W635 VanDerWaalsContact O-CH2 3.31Å; Y551-W635 WeakPolarHBondContact O-CH2 3.27Å; I557-W635 HydrophobicContact CD1-CE3 4.32Å; I557-W635 HydrophobicContact CD1-CH2 3.3Å; I557-W635 HydrophobicContact CD1-CZ2 4.26Å; I557-W635 HydrophobicContact CD1-CZ3 3.36Å; I557-W635 HydrophobicContact CG1-CZ3 4.5Å; I557-W635 HydrophobicContact CG2-CE3 4.44Å; I557-W635 HydrophobicContact CG2-CZ3 4.11Å; T631-W635 WeakPolarHBondContact O-CB 3.28Å; T631-W635 PolarHBondContact O-N 3.06Å; I632-W635 PolarHBondContact O-N 3.37Å; L633-W635 VanDerWaalsContact C-N 3.26Å; L633-W635 PolarHBondContact O-N 2.91Å; W635-K637 VanDerWaalsContact C-N 3.29Å; W635-K637 PolarHBondContact O-N 3.48Å; W635-S638 WeakPolarHBondContact CA-OG 3.06Å; W635-S638 PolarHBondContact O-N 3.3Å; W635-S638 PolarHBondContact O-OG 3.48Å; W635-R639 HydrophobicContact CD2-CG 4.42Å; W635-R639 HydrophobicContact CH2-CG 4.35Å; W635-R639 HydrophobicContact CZ2-CG 3.94Å; W635-R639 PolarHBondContact O-N 3.06Å
636	L	83.8	Confident	80.5	Confident	16 Å²	16	47 Å²	47	8%	0.084	25%	0.249	C	C	.	.	H	α-helix	trans	-56.4	-44.5	176.2	-79.4	169	0	0	0	111.2	Y477 L480 L554 I632 L633 S638 R639	Y477-L636 HydrophobicContact CD2-CB 4.47Å; L480-L636 HydrophobicContact CD1-CD1 3.86Å; L554-L636 HydrophobicContact CD2-CD2 3.96Å; I632-L636 HydrophobicContact CG2-CD1 4.21Å; I632-L636 WeakPolarHBondContact O-CG 3.16Å; I632-L636 PolarHBondContact O-N 2.9Å; L633-L636 PolarHBondContact O-N 3.18Å; L636-S638 VanDerWaalsContact C-N 3.31Å; L636-S638 PolarHBondContact O-N 2.9Å; L636-R639 PolarHBondContact O-N 2.93Å
637	K	82.6	Confident	80.1	Confident	138 Å²	138	45.6 Å²	45.6	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-64.6	-33.1	176.6	-169.7	178.9	-169.4	165	0	113.2	Y477 L633 D634 W635	Y477-K637 HydrophobicContact CD2-CB 4.28Å; Y477-K637 HydrophobicContact CE1-CD 4.2Å; Y477-K637 HydrophobicContact CE2-CB 3.79Å; Y477-K637 HydrophobicContact CE2-CD 4.43Å; Y477-K637 HydrophobicContact CE2-CG 4.44Å; L633-K637 WeakPolarHBondContact O-CB 3.24Å; L633-K637 PolarHBondContact O-N 3.45Å; D634-K637 PolarHBondContact O-N 2.57Å; W635-K637 VanDerWaalsContact C-N 3.29Å; W635-K637 PolarHBondContact O-N 3.48Å
638	S	81.8	Confident	79.7	Confident	92 Å²	92	43 Å²	43	64%	0.643	22%	0.224	S	C	*	.	H	α-helix	trans	-78.2	-16.7	-177.9	75.1	0	0	0	0	114.3	D634 W635 L636	D634-S638 VanDerWaalsContact O-CB 3.3Å; D634-S638 WeakPolarHBondContact O-CB 3.47Å; D634-S638 PolarHBondContact O-N 3.09Å; D634-S638 PolarHBondContact O-OG 3.48Å; W635-S638 WeakPolarHBondContact CA-OG 3.06Å; W635-S638 PolarHBondContact O-N 3.3Å; W635-S638 PolarHBondContact O-OG 3.48Å; L636-S638 VanDerWaalsContact C-N 3.31Å; L636-S638 PolarHBondContact O-N 2.9Å
639	R	77.4	Confident	79.2	Confident	29 Å²	29	43.4 Å²	43.4	11%	0.109	23%	0.226	C	C	.	.	S	Bend	trans	-73.3	148.4	-177.5	-77.9	-172.7	98.3	-178.9	0.7	112.4	W635 L636 D643 H644 S647	W635-R639 HydrophobicContact CD2-CG 4.42Å; W635-R639 HydrophobicContact CH2-CG 4.35Å; W635-R639 HydrophobicContact CZ2-CG 3.94Å; W635-R639 PolarHBondContact O-N 3.06Å; L636-R639 PolarHBondContact O-N 2.93Å; R639-D643 VanDerWaalsContact NH2-C 3.32Å; R639-D643 PolarHBondContact NH2-O 3.11Å; R639-H644 WeakPolarHBondContact CB-CE1 3.47Å; R639-S647 PolarHBondContact NH1-OG 3.33Å; R639-S647 VanDerWaalsContact NH1-OG 3.11Å; R639-S647 PolarHBondContact NH2-OG 3.15Å
640	C	76.5	Confident	78.7	Confident	62 Å²	62	43.8 Å²	43.8	42%	0.419	23%	0.229	S	C	.	.			trans	-79	157.9	169.7	78.3	0	0	0	0	111.5	L642 D643 H644	C640-L642 PolarHBondContact O-N 2.92Å; C640-D643 PolarHBondContact O-N 3.3Å; C640-D643 PolarHBondContact SG-N 3.39Å; C640-D643 PolarHBondContact SG-OD2 2.93Å; C640-H644 PolarHBondContact O-N 3.13Å; C640-H644 PolarHBondContact O-ND1 3.23Å
641	L	72	Confident	78.4	Confident	36 Å²	36	39.1 Å²	39.1	19%	0.188	21%	0.207	C	C	.	.	H	α-helix	trans	-57	-37.3	177.7	-176.1	64.2	0	0	0	112.8	L466 I469 N470 F473 D643 H644 L645	L466-L641 HydrophobicContact CB-CD2 4.35Å; L466-L641 HydrophobicContact CD2-CD2 3.94Å; I469-L641 HydrophobicContact CG2-CD1 3.87Å; N470-L641 HydrophobicContact CB-CD1 4.26Å; N470-L641 HydrophobicContact CB-CD2 4.18Å; F473-L641 HydrophobicContact CD2-CD1 3.7Å; F473-L641 HydrophobicContact CE2-CD1 4.11Å; L641-D643 VanDerWaalsContact C-N 3.32Å; L641-D643 PolarHBondContact O-N 2.64Å; L641-H644 WeakPolarHBondContact O-CB 3.48Å; L641-H644 PolarHBondContact O-N 2.84Å; L641-L645 HydrophobicContact CG-CD1 4.4Å; L641-L645 WeakPolarHBondContact O-CG 3.4Å; L641-L645 PolarHBondContact O-N 3.01Å
642	L	70.3	Confident	77.7	Confident	104 Å²	104	39.3 Å²	39.3	55%	0.545	21%	0.207	S	C	.	.	H	α-helix	trans	-62.9	-40.3	-179.4	-175.3	65.1	0	0	0	111.5	C640 H644 L645 H646	C640-L642 PolarHBondContact O-N 2.92Å; L642-H644 VanDerWaalsContact C-N 3.34Å; L642-H644 PolarHBondContact O-N 2.85Å; L642-L645 PolarHBondContact O-N 2.94Å; L642-H646 WeakPolarHBondContact CG-NE2 3.3Å; L642-H646 PolarHBondContact O-CD2 3.37Å; L642-H646 VanDerWaalsContact O-CG 3.31Å; L642-H646 PolarHBondContact O-N 2.98Å
643	D	72	Confident	77.1	Confident	53 Å²	53	39.3 Å²	39.3	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-65.8	-38.5	177.3	-66.8	-34.9	0	0	0	111.7	R639 C640 L641 H646 S647	R639-D643 VanDerWaalsContact NH2-C 3.32Å; R639-D643 PolarHBondContact NH2-O 3.11Å; C640-D643 PolarHBondContact O-N 3.3Å; C640-D643 PolarHBondContact SG-N 3.39Å; C640-D643 PolarHBondContact SG-OD2 2.93Å; L641-D643 VanDerWaalsContact C-N 3.32Å; L641-D643 PolarHBondContact O-N 2.64Å; D643-H646 PolarHBondContact O-N 3.07Å; D643-S647 PolarHBondContact O-N 2.88Å; D643-S647 PolarHBondContact O-OG 3.41Å
644	H	75.1	Confident	76.7	Confident	16 Å²	16	39 Å²	39	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-45.4	174.2	-69.3	103.9	0	0	0	111.9	F473 R639 C640 L641 L642 H646 S647 L648	F473-H644 HydrophobicContact CD1-CB 4.21Å; F473-H644 AromaticContact CD1-CD2 3.84Å; F473-H644 HydrophobicContact CD2-CB 4.34Å; F473-H644 HydrophobicContact CE1-CB 3.73Å; F473-H644 AromaticContact CE1-CD2 3.83Å; F473-H644 AromaticContact CE1-CG 3.98Å; F473-H644 HydrophobicContact CE2-CB 3.87Å; F473-H644 HydrophobicContact CZ-CB 3.54Å; R639-H644 WeakPolarHBondContact CB-CE1 3.47Å; C640-H644 PolarHBondContact O-N 3.13Å; C640-H644 PolarHBondContact O-ND1 3.23Å; L641-H644 WeakPolarHBondContact O-CB 3.48Å; L641-H644 PolarHBondContact O-N 2.84Å; L642-H644 VanDerWaalsContact C-N 3.34Å; L642-H644 PolarHBondContact O-N 2.85Å; H644-H646 VanDerWaalsContact C-N 3.29Å; H644-H646 PolarHBondContact O-N 3.48Å; H644-S647 WeakPolarHBondContact O-CB 3.31Å; H644-S647 PolarHBondContact O-N 2.87Å; H644-S647 VanDerWaalsContact O-N 3.14Å; H644-L648 PolarHBondContact O-N 2.76Å
645	L	71.8	Confident	76	Confident	40 Å²	40	36 Å²	36	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-38.8	175.8	-71.5	172.8	0	0	0	112	L466 I469 L641 L642 S647 L648 L649	L466-L645 HydrophobicContact CD2-CD1 4.4Å; I469-L645 HydrophobicContact CG2-CD2 4.16Å; L641-L645 HydrophobicContact CG-CD1 4.4Å; L641-L645 WeakPolarHBondContact O-CG 3.4Å; L641-L645 PolarHBondContact O-N 3.01Å; L642-L645 PolarHBondContact O-N 2.94Å; L645-S647 VanDerWaalsContact C-N 3.32Å; L645-S647 PolarHBondContact O-N 3.4Å; L645-L648 PolarHBondContact O-N 3.43Å; L645-L649 PolarHBondContact O-N 3.2Å
646	H	71.9	Confident	75.2	Confident	44 Å²	44	35.6 Å²	35.6	20%	0.204	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-36.8	174.4	-73.3	-38.7	0	0	0	112.9	L642 D643 H644 L648 L649 L710	L642-H646 WeakPolarHBondContact CG-NE2 3.3Å; L642-H646 PolarHBondContact O-CD2 3.37Å; L642-H646 VanDerWaalsContact O-CG 3.31Å; L642-H646 PolarHBondContact O-N 2.98Å; D643-H646 PolarHBondContact O-N 3.07Å; H644-H646 VanDerWaalsContact C-N 3.29Å; H644-H646 PolarHBondContact O-N 3.48Å; H646-L648 VanDerWaalsContact C-N 3.3Å; H646-L648 PolarHBondContact O-N 2.82Å; H646-L649 VanDerWaalsContact O-CB 3.31Å; H646-L649 WeakPolarHBondContact O-CB 3.29Å; H646-L649 PolarHBondContact O-N 2.9Å; H646-L710 HydrophobicContact CB-CD1 3.91Å; H646-L710 VanDerWaalsContact CE1-CD2 3.49Å; H646-L710 WeakPolarHBondContact CE1-CD2 3.35Å; H646-L710 VanDerWaalsContact ND1-CD1 3.27Å; H646-L710 WeakPolarHBondContact ND1-CD1 3.43Å
647	S	75.7	Confident	74.8	Confident	1 Å²	1	35 Å²	35	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-68.7	-25.5	174.7	-72.8	0	0	0	0	113.7	Y552 R639 D643 H644 L645	Y552-S647 WeakPolarHBondContact CA-OG 3.41Å; Y552-S647 WeakPolarHBondContact O-CA 3.42Å; Y552-S647 WeakPolarHBondContact O-CB 3.49Å; Y552-S647 PolarHBondContact O-OG 2.97Å; R639-S647 PolarHBondContact NH1-OG 3.33Å; R639-S647 VanDerWaalsContact NH1-OG 3.11Å; R639-S647 PolarHBondContact NH2-OG 3.15Å; D643-S647 PolarHBondContact O-N 2.88Å; D643-S647 PolarHBondContact O-OG 3.41Å; H644-S647 WeakPolarHBondContact O-CB 3.31Å; H644-S647 PolarHBondContact O-N 2.87Å; H644-S647 VanDerWaalsContact O-N 3.14Å; L645-S647 VanDerWaalsContact C-N 3.32Å; L645-S647 PolarHBondContact O-N 3.4Å
648	L	76.7	Confident	74.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-83	-14.2	176.8	-65.4	-180	0	0	0	113.7	I444 L447 A448 I451 F473 L554 H644 L645 H646 P650 H651 I652	I444-L648 HydrophobicContact CG2-CD2 3.43Å; I444-L648 VanDerWaalsContact CG2-CD2 3.43Å; L447-L648 HydrophobicContact CD2-CD2 4.3Å; A448-L648 HydrophobicContact CB-CB 4.47Å; A448-L648 HydrophobicContact CB-CD2 4.27Å; I451-L648 HydrophobicContact CD1-CD1 3.43Å; I451-L648 VanDerWaalsContact CD1-CD1 3.43Å; F473-L648 HydrophobicContact CE2-CD1 4.43Å; F473-L648 HydrophobicContact CZ-CD1 3.7Å; F473-L648 HydrophobicContact CZ-CG 4.41Å; L554-L648 HydrophobicContact CD1-CD2 4.25Å; H644-L648 PolarHBondContact O-N 2.76Å; L645-L648 PolarHBondContact O-N 3.43Å; H646-L648 VanDerWaalsContact C-N 3.3Å; H646-L648 PolarHBondContact O-N 2.82Å; L648-P650 VanDerWaalsContact C-CD 3.43Å; L648-H651 WeakPolarHBondContact O-CB 3.21Å; L648-H651 PolarHBondContact O-N 3.15Å; L648-I652 HydrophobicContact CB-CD1 4.13Å; L648-I652 HydrophobicContact CB-CG1 4.46Å; L648-I652 WeakPolarHBondContact O-CG1 3.4Å; L648-I652 PolarHBondContact O-N 3.32Å
649	L	73	Confident	73.6	Confident	14 Å²	14	26.6 Å²	26.6	7%	0.073	14%	0.144	C	C	.	.	H	α-helix	trans	-54.1	-43.6	-172.5	-155.1	60.2	0	0	0	114.2	L645 H646 H651 I652 I653 L710 F713 L717	L645-L649 PolarHBondContact O-N 3.2Å; H646-L649 VanDerWaalsContact O-CB 3.31Å; H646-L649 WeakPolarHBondContact O-CB 3.29Å; H646-L649 PolarHBondContact O-N 2.9Å; L649-H651 VanDerWaalsContact C-N 3.31Å; L649-H651 PolarHBondContact O-N 2.87Å; L649-I652 PolarHBondContact O-N 3.05Å; L649-I653 HydrophobicContact CG-CD1 4.38Å; L649-I653 WeakPolarHBondContact O-CD1 3.25Å; L649-I653 VanDerWaalsContact O-CG1 3.29Å; L649-I653 WeakPolarHBondContact O-CG1 3.42Å; L649-I653 PolarHBondContact O-N 3.02Å; L649-L710 HydrophobicContact CD2-CD1 3.92Å; L649-F713 HydrophobicContact CB-CB 4.42Å; L649-F713 HydrophobicContact CD2-CB 3.33Å; L649-F713 HydrophobicContact CD2-CG 4.4Å; L649-F713 HydrophobicContact CG-CB 3.82Å; L649-L717 HydrophobicContact CD1-CD1 3.27Å; L649-L717 HydrophobicContact CD1-CG 3.96Å; L649-L717 HydrophobicContact CG-CD1 4.25Å; L649-L717 HydrophobicContact CG-CG 4.5Å
650	P	76.5	Confident	73.2	Confident	8 Å²	8	26.1 Å²	26.1	5%	0.052	14%	0.143	C	C	.	.	H	α-helix	trans	-64.6	-35.1	177.7	-20	34.3	0	0	0	112.8	L437 P438 W530 L648 L654 F713	L437-P650 HydrophobicContact CD2-CB 4.47Å; P438-P650 HydrophobicContact CG-CB 4.01Å; W530-P650 HydrophobicContact CZ2-CB 4.21Å; W530-P650 HydrophobicContact CZ2-CG 4.32Å; L648-P650 VanDerWaalsContact C-CD 3.43Å; P650-L654 WeakPolarHBondContact O-CB 3.33Å; P650-L654 PolarHBondContact O-N 3.32Å; P650-F713 HydrophobicContact CB-CE1 3.97Å; P650-F713 HydrophobicContact CB-CZ 4.19Å; P650-F713 HydrophobicContact CG-CD1 4.31Å; P650-F713 HydrophobicContact CG-CD2 4.45Å; P650-F713 HydrophobicContact CG-CE1 3.86Å; P650-F713 HydrophobicContact CG-CE2 4.02Å; P650-F713 HydrophobicContact CG-CZ 3.7Å
651	H	78.2	Confident	73.2	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.9	-37	177.3	-58.2	76.2	0	0	0	112	P438 H445 A448 W530 D555 L648 L649 L654 E655	P438-H651 WeakPolarHBondContact CB-NE2 3.31Å; P438-H651 HydrophobicContact CG-CB 4.33Å; H445-H651 PolarHBondContact N-CD2 3.06Å; A448-H651 HydrophobicContact CB-CB 3.56Å; W530-H651 AromaticContact CH2-CE1 3.5Å; W530-H651 VanDerWaalsContact CH2-CE1 3.5Å; W530-H651 WeakPolarHBondContact CH2-CE1 3.14Å; W530-H651 AromaticContact CH2-NE2 3.95Å; W530-H651 AromaticContact CZ2-CE1 3.58Å; D555-H651 IonicContact OD2-CD2 2.94Å; D555-H651 IonicContact OD2-CE1 3.18Å; D555-H651 IonicContact OD2-NE2 2.78Å; D555-H651 PolarHBondContact OD2-NE2 3.4Å; L648-H651 WeakPolarHBondContact O-CB 3.21Å; L648-H651 PolarHBondContact O-N 3.15Å; L649-H651 VanDerWaalsContact C-N 3.31Å; L649-H651 PolarHBondContact O-N 2.87Å; H651-L654 PolarHBondContact O-N 3.48Å; H651-E655 PolarHBondContact O-N 3.15Å
652	I	72.5	Confident	72.9	Confident	34 Å²	34	23.9 Å²	23.9	17%	0.174	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-47.4	173.5	-65.6	168.6	0	0	0	109.8	A448 L648 L649 L654 E655 C656 L717	A448-I652 HydrophobicContact CB-CG1 4.1Å; L648-I652 HydrophobicContact CB-CD1 4.13Å; L648-I652 HydrophobicContact CB-CG1 4.46Å; L648-I652 WeakPolarHBondContact O-CG1 3.4Å; L648-I652 PolarHBondContact O-N 3.32Å; L649-I652 PolarHBondContact O-N 3.05Å; I652-L654 VanDerWaalsContact C-N 3.29Å; I652-L654 PolarHBondContact O-N 3.41Å; I652-E655 PolarHBondContact O-N 2.8Å; I652-C656 PolarHBondContact O-N 2.82Å; I652-C656 PolarHBondContact O-SG 2.8Å; I652-L717 HydrophobicContact CG2-CD2 4.4Å
653	I	73.6	Confident	72.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.1	-46.9	175.2	-72.5	164.5	0	0	0	110.4	L437 L649 E655 C656 M657 F713 I716 L717 I720	L437-I653 HydrophobicContact CD1-CG2 4.31Å; L437-I653 HydrophobicContact CD2-CG2 4.49Å; L649-I653 HydrophobicContact CG-CD1 4.38Å; L649-I653 WeakPolarHBondContact O-CD1 3.25Å; L649-I653 VanDerWaalsContact O-CG1 3.29Å; L649-I653 WeakPolarHBondContact O-CG1 3.42Å; L649-I653 PolarHBondContact O-N 3.02Å; I653-E655 PolarHBondContact O-N 3.22Å; I653-C656 PolarHBondContact O-N 2.82Å; I653-M657 HydrophobicContact CG2-SD 4.04Å; I653-M657 VanDerWaalsContact O-CG 3.28Å; I653-M657 WeakPolarHBondContact O-CG 3.46Å; I653-M657 PolarHBondContact O-N 3.28Å; I653-F713 HydrophobicContact CD1-CB 3.93Å; I653-F713 HydrophobicContact CD1-CD1 3.59Å; I653-F713 HydrophobicContact CD1-CG 4.22Å; I653-I716 HydrophobicContact CB-CG2 4.48Å; I653-I716 HydrophobicContact CD1-CB 4.03Å; I653-I716 HydrophobicContact CD1-CG2 3.76Å; I653-I716 HydrophobicContact CG1-CG2 3.97Å; I653-I716 HydrophobicContact CG2-CG2 3.68Å; I653-L717 HydrophobicContact CD1-CG 4.39Å; I653-L717 HydrophobicContact CG1-CD2 3.67Å; I653-L717 HydrophobicContact CG1-CG 4.07Å; I653-I720 HydrophobicContact CB-CD1 4.39Å; I653-I720 HydrophobicContact CG1-CD1 4.29Å; I653-I720 HydrophobicContact CG2-CD1 3.95Å
654	L	77.2	Confident	72.6	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-44.2	178.5	-177.9	62.1	0	0	0	112.3	F431 A432 L437 P438 P440 P650 H651 I652 M657 F658	F431-L654 HydrophobicContact CD1-CD1 4.32Å; A432-L654 HydrophobicContact CB-CD1 4.03Å; A432-L654 HydrophobicContact CB-CD2 4.18Å; L437-L654 HydrophobicContact CB-CD1 4.11Å; L437-L654 HydrophobicContact CD1-CB 4.24Å; L437-L654 HydrophobicContact CD1-CD1 3.92Å; P438-L654 HydrophobicContact CG-CD2 4.25Å; P438-L654 WeakPolarHBondContact O-CD2 3.37Å; P440-L654 HydrophobicContact CB-CD2 4.06Å; P650-L654 WeakPolarHBondContact O-CB 3.33Å; P650-L654 PolarHBondContact O-N 3.32Å; H651-L654 PolarHBondContact O-N 3.48Å; I652-L654 VanDerWaalsContact C-N 3.29Å; I652-L654 PolarHBondContact O-N 3.41Å; L654-M657 PolarHBondContact O-N 3.46Å; L654-F658 HydrophobicContact CD1-CD2 4.49Å; L654-F658 HydrophobicContact CD1-CE1 4.25Å; L654-F658 HydrophobicContact CD1-CE2 3.88Å; L654-F658 HydrophobicContact CD1-CZ 3.72Å; L654-F658 HydrophobicContact CD2-CE2 4.01Å; L654-F658 HydrophobicContact CD2-CZ 4.33Å; L654-F658 HydrophobicContact CG-CD2 4.14Å; L654-F658 HydrophobicContact CG-CE2 3.58Å; L654-F658 HydrophobicContact CG-CZ 3.95Å; L654-F658 WeakPolarHBondContact O-CD2 3.26Å; L654-F658 PolarHBondContact O-N 2.81Å
655	E	71.8	Confident	72.6	Confident	26 Å²	26	20 Å²	20	12%	0.121	11%	0.108	C	C	.	.	H	α-helix	trans	-68.2	-38	177.6	-178.1	59.7	-160.3	0	0	112.3	R419 H445 V449 H651 I652 I653 M657 F658 T659	R419-E655 IonicContact NH2-OE1 2.68Å; H445-E655 IonicContact CE1-OE2 3.3Å; H445-E655 IonicContact NE2-OE2 3.73Å; H445-E655 PolarHBondContact NE2-OE2 3.14Å; V449-E655 HydrophobicContact CG2-CB 4.2Å; V449-E655 HydrophobicContact CG2-CG 3.82Å; H651-E655 PolarHBondContact O-N 3.15Å; I652-E655 PolarHBondContact O-N 2.8Å; I653-E655 PolarHBondContact O-N 3.22Å; E655-M657 VanDerWaalsContact C-N 3.3Å; E655-M657 PolarHBondContact O-N 3.35Å; E655-F658 PolarHBondContact O-N 3.13Å; E655-T659 WeakPolarHBondContact O-CB 3.32Å; E655-T659 PolarHBondContact O-N 3.25Å; E655-T659 PolarHBondContact O-OG1 3.34Å
656	C	70	Confident	72.8	Confident	35 Å²	35	19.7 Å²	19.7	24%	0.236	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-45.7	172.4	-70.1	0	0	0	0	110.6	I652 I653 T659 F660 I720	I652-C656 PolarHBondContact O-N 2.82Å; I652-C656 PolarHBondContact O-SG 2.8Å; I653-C656 PolarHBondContact O-N 2.82Å; C656-T659 WeakPolarHBondContact O-CB 3.31Å; C656-T659 PolarHBondContact O-N 2.7Å; C656-F660 HydrophobicContact CB-CE2 4.41Å; C656-F660 WeakPolarHBondContact O-CD2 3.31Å; C656-F660 PolarHBondContact O-N 2.96Å; C656-I720 HydrophobicContact CB-CD1 4.23Å; C656-I720 HydrophobicContact CB-CG2 3.91Å
657	M	74.9	Confident	72.9	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-47.4	176	-68.5	175.6	73.9	0	0	111.4	F431 F435 L437 I653 L654 E655 T659 F660 H661 I684	F431-M657 HydrophobicContact CE1-CB 4.05Å; F431-M657 HydrophobicContact CE1-CE 3.97Å; F431-M657 HydrophobicContact CZ-CB 4.33Å; F431-M657 HydrophobicContact CZ-CE 3.88Å; F435-M657 HydrophobicContact CD1-CE 3.9Å; F435-M657 HydrophobicContact CD2-CE 3.7Å; F435-M657 HydrophobicContact CE1-CE 3.67Å; F435-M657 HydrophobicContact CE2-CE 3.47Å; F435-M657 VanDerWaalsContact CE2-CE 3.47Å; F435-M657 HydrophobicContact CG-CE 3.91Å; F435-M657 HydrophobicContact CZ-CE 3.45Å; F435-M657 VanDerWaalsContact CZ-CE 3.45Å; L437-M657 HydrophobicContact CD1-SD 3.72Å; I653-M657 HydrophobicContact CG2-SD 4.04Å; I653-M657 VanDerWaalsContact O-CG 3.28Å; I653-M657 WeakPolarHBondContact O-CG 3.46Å; I653-M657 PolarHBondContact O-N 3.28Å; L654-M657 PolarHBondContact O-N 3.46Å; E655-M657 VanDerWaalsContact C-N 3.3Å; E655-M657 PolarHBondContact O-N 3.35Å; M657-T659 VanDerWaalsContact C-N 3.26Å; M657-T659 PolarHBondContact O-N 3.16Å; M657-F660 PolarHBondContact O-N 2.66Å; M657-H661 WeakPolarHBondContact O-CB 3.38Å; M657-H661 PolarHBondContact O-CD2 2.88Å; M657-H661 PolarHBondContact O-N 3.18Å; M657-I684 HydrophobicContact CE-CD1 4.26Å; M657-I684 HydrophobicContact CE-CG2 4.45Å; M657-I684 HydrophobicContact CG-CD1 4.27Å; M657-I684 HydrophobicContact SD-CD1 4.07Å; M657-I684 HydrophobicContact SD-CG2 4.38Å
658	F	72.2	Confident	72.9	Confident	7 Å²	7	26 Å²	26	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-39.7	174.3	-72.1	-38.6	0	0	0	112.6	I422 R428 F431 P440 L654 E655 H661 S662	I422-F658 HydrophobicContact CG2-CD1 4.29Å; R428-F658 HydrophobicContact CB-CE1 4.15Å; R428-F658 HydrophobicContact CB-CZ 3.78Å; R428-F658 HydrophobicContact CG-CE1 4.19Å; R428-F658 HydrophobicContact CG-CZ 4.1Å; F431-F658 HydrophobicContact CB-CE1 4.23Å; F431-F658 HydrophobicContact CD1-CD1 4.05Å; F431-F658 AromaticContact CD1-CE1 3.54Å; F431-F658 HydrophobicContact CD1-CE1 3.54Å; F431-F658 HydrophobicContact CD1-CZ 4.37Å; F431-F658 HydrophobicContact CE1-CD1 4.32Å; F431-F658 HydrophobicContact CE1-CE1 4.22Å; F431-F658 HydrophobicContact CG-CE1 4.12Å; P440-F658 HydrophobicContact CB-CE2 3.61Å; P440-F658 HydrophobicContact CB-CZ 3.84Å; P440-F658 HydrophobicContact CG-CE2 4.44Å; P440-F658 HydrophobicContact CG-CZ 4.18Å; L654-F658 HydrophobicContact CD1-CD2 4.49Å; L654-F658 HydrophobicContact CD1-CE1 4.25Å; L654-F658 HydrophobicContact CD1-CE2 3.88Å; L654-F658 HydrophobicContact CD1-CZ 3.72Å; L654-F658 HydrophobicContact CD2-CE2 4.01Å; L654-F658 HydrophobicContact CD2-CZ 4.33Å; L654-F658 HydrophobicContact CG-CD2 4.14Å; L654-F658 HydrophobicContact CG-CE2 3.58Å; L654-F658 HydrophobicContact CG-CZ 3.95Å; L654-F658 WeakPolarHBondContact O-CD2 3.26Å; L654-F658 PolarHBondContact O-N 2.81Å; E655-F658 PolarHBondContact O-N 3.13Å; F658-H661 PolarHBondContact O-N 2.89Å; F658-S662 WeakPolarHBondContact O-CB 3.33Å; F658-S662 PolarHBondContact O-N 3.38Å; F658-S662 PolarHBondContact O-OG 3.47Å
659	T	66	Low	73.1	Confident	48 Å²	48	26 Å²	26	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-60	-50.1	178.2	-59.8	0	0	0	0	110.1	E655 C656 M657 S662 L663	E655-T659 WeakPolarHBondContact O-CB 3.32Å; E655-T659 PolarHBondContact O-N 3.25Å; E655-T659 PolarHBondContact O-OG1 3.34Å; C656-T659 WeakPolarHBondContact O-CB 3.31Å; C656-T659 PolarHBondContact O-N 2.7Å; M657-T659 VanDerWaalsContact C-N 3.26Å; M657-T659 PolarHBondContact O-N 3.16Å; T659-S662 PolarHBondContact O-N 3.28Å; T659-S662 PolarHBondContact O-OG 2.8Å; T659-L663 WeakPolarHBondContact O-CG 3.3Å; T659-L663 PolarHBondContact O-N 2.78Å
660	F	70.2	Confident	73.4	Confident	19 Å²	19	27.4 Å²	27.4	8%	0.083	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-40.8	178.2	-66	-56.5	0	0	0	113.6	C656 M657 S662 L663 Y673 L677 L680 I720 F723 S724	C656-F660 HydrophobicContact CB-CE2 4.41Å; C656-F660 WeakPolarHBondContact O-CD2 3.31Å; C656-F660 PolarHBondContact O-N 2.96Å; M657-F660 PolarHBondContact O-N 2.66Å; F660-S662 PolarHBondContact O-N 3.33Å; F660-L663 HydrophobicContact CD1-CD1 4.24Å; F660-L663 PolarHBondContact O-N 3.4Å; F660-Y673 VanDerWaalsContact C-OH 3.32Å; F660-Y673 WeakPolarHBondContact CA-OH 3.43Å; F660-Y673 PolarHBondContact O-OH 3.29Å; F660-L677 HydrophobicContact CB-CD1 3.85Å; F660-L680 HydrophobicContact CD2-CD2 4.45Å; F660-I720 HydrophobicContact CE2-CG2 3.94Å; F660-F723 HydrophobicContact CB-CE1 4.39Å; F660-F723 AromaticContact CD1-CD1 3.97Å; F660-F723 HydrophobicContact CD1-CD1 3.97Å; F660-F723 AromaticContact CD1-CE1 3.47Å; F660-F723 HydrophobicContact CD1-CE1 3.47Å; F660-F723 VanDerWaalsContact CD1-CE1 3.47Å; F660-F723 HydrophobicContact CD2-CD1 4.26Å; F660-F723 HydrophobicContact CD2-CE1 4.29Å; F660-F723 AromaticContact CE1-CD1 3.85Å; F660-F723 HydrophobicContact CE1-CD1 3.85Å; F660-F723 AromaticContact CE1-CE1 3.77Å; F660-F723 HydrophobicContact CE1-CE1 3.77Å; F660-F723 HydrophobicContact CE2-CD1 4.18Å; F660-F723 HydrophobicContact CG-CD1 4.19Å; F660-F723 AromaticContact CG-CE1 3.78Å; F660-F723 HydrophobicContact CG-CE1 3.78Å; F660-F723 AromaticContact CZ-CD1 3.99Å; F660-F723 HydrophobicContact CZ-CD1 3.99Å; F660-F723 HydrophobicContact CZ-CE1 4.33Å; F660-S724 VanDerWaalsContact CZ-OG 3.26Å; F660-S724 WeakPolarHBondContact CZ-OG 3.02Å
661	H	76.6	Confident	73.6	Confident	48 Å²	48	35.9 Å²	35.9	22%	0.222	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-28.6	175.9	-81.8	-92.5	0	0	0	111.8	I422 F431 M657 F658 L663 D681	I422-H661 HydrophobicContact CD1-CB 3.58Å; F431-H661 AromaticContact CE2-CD2 3.94Å; F431-H661 AromaticContact CE2-CE1 3.71Å; F431-H661 AromaticContact CE2-ND1 3.89Å; F431-H661 AromaticContact CE2-NE2 3.75Å; F431-H661 AromaticContact CZ-CD2 3.56Å; F431-H661 AromaticContact CZ-NE2 3.57Å; M657-H661 WeakPolarHBondContact O-CB 3.38Å; M657-H661 PolarHBondContact O-CD2 2.88Å; M657-H661 PolarHBondContact O-N 3.18Å; F658-H661 PolarHBondContact O-N 2.89Å; H661-L663 VanDerWaalsContact C-N 3.28Å; H661-L663 PolarHBondContact O-N 3.33Å; H661-D681 IonicContact CD2-OD1 3.53Å; H661-D681 IonicContact CE1-OD1 3.32Å; H661-D681 IonicContact CE1-OD2 3.92Å; H661-D681 PolarHBondContact CE1-OD2 3.5Å; H661-D681 IonicContact NE2-OD1 3.62Å; H661-D681 PolarHBondContact NE2-OD1 3.34Å; H661-D681 IonicContact NE2-OD2 2.78Å; H661-D681 PolarHBondContact NE2-OD2 2.92Å; H661-D681 VanDerWaalsContact NE2-OD2 3.15Å
662	S	65.7	Low	73.6	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-77.4	-13.5	-178.8	70.5	0	0	0	0	113.7	R419 Q420 F658 T659 F660 V664	R419-S662 CarbonylContact C-O 3.53Å; R419-S662 VanDerWaalsContact CA-O 3.31Å; R419-S662 WeakPolarHBondContact CA-O 3.5Å; R419-S662 WeakPolarHBondContact CG-OG 3.47Å; R419-S662 PolarHBondContact NE-OG 2.83Å; Q420-S662 PolarHBondContact N-O 3.42Å; Q420-S662 WeakPolarHBondContact O-CB 3.42Å; F658-S662 WeakPolarHBondContact O-CB 3.33Å; F658-S662 PolarHBondContact O-N 3.38Å; F658-S662 PolarHBondContact O-OG 3.47Å; T659-S662 PolarHBondContact O-N 3.28Å; T659-S662 PolarHBondContact O-OG 2.8Å; F660-S662 PolarHBondContact O-N 3.33Å; S662-V664 PolarHBondContact O-N 2.56Å
663	L	65.1	Low	74.1	Confident	34 Å²	34	36.2 Å²	36.2	18%	0.178	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.7	178.7	-67.6	171.5	0	0	0	110.3	W417 T659 F660 H661 P665 Y673 F727	W417-L663 HydrophobicContact CB-CD2 4.41Å; W417-L663 HydrophobicContact CE3-CB 4.33Å; T659-L663 WeakPolarHBondContact O-CG 3.3Å; T659-L663 PolarHBondContact O-N 2.78Å; F660-L663 HydrophobicContact CD1-CD1 4.24Å; F660-L663 PolarHBondContact O-N 3.4Å; H661-L663 VanDerWaalsContact C-N 3.28Å; H661-L663 PolarHBondContact O-N 3.33Å; L663-P665 WeakPolarHBondContact O-CD 3.37Å; L663-Y673 HydrophobicContact CB-CE1 4.35Å; L663-F727 HydrophobicContact CD1-CE1 4.19Å; L663-F727 HydrophobicContact CD1-CZ 3.93Å
664	V	69.3	Low	74.5	Confident	45 Å²	45	38.9 Å²	38.9	27%	0.273	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	103.8	167.9	-176.3	0	0	0	0	108.5	K418 Q420 S662	K418-V664 HydrophobicContact CB-CB 4.19Å; K418-V664 PolarHBondContact N-O 3.39Å; K418-V664 VanDerWaalsContact N-O 3.15Å; K418-V664 WeakPolarHBondContact O-CA 3.24Å; K418-V664 WeakPolarHBondContact O-CB 3.32Å; K418-V664 PolarHBondContact O-N 2.95Å; Q420-V664 HydrophobicContact CB-CG2 4Å; Q420-V664 HydrophobicContact CG-CG2 3.45Å; Q420-V664 VanDerWaalsContact CG-CG2 3.45Å; S662-V664 PolarHBondContact O-N 2.56Å
665	P	75.4	Confident	74.8	Confident	13 Å²	13	42.6 Å²	42.6	8%	0.084	23%	0.23	C	C	.	.			trans	-64.3	163	170.6	23.5	-32.8	0	0	0	112.2	W417 L663 L669 C670 Y673	W417-P665 HydrophobicContact CE3-CB 3.92Å; W417-P665 HydrophobicContact CH2-CB 3.89Å; W417-P665 HydrophobicContact CZ3-CB 3.41Å; W417-P665 VanDerWaalsContact CZ3-CB 3.41Å; W417-P665 HydrophobicContact CZ3-CG 4.27Å; L663-P665 WeakPolarHBondContact O-CD 3.37Å; P665-L669 HydrophobicContact CB-CB 4.01Å; P665-C670 HydrophobicContact CG-CB 4.38Å; P665-Y673 HydrophobicContact CB-CG 4.48Å; P665-Y673 HydrophobicContact CG-CD1 3.8Å; P665-Y673 HydrophobicContact CG-CG 4.07Å
666	H	75.5	Confident	75.1	Confident	34 Å²	34	42.1 Å²	42.1	16%	0.157	23%	0.228	C	C	.	.			trans	-56.1	144.4	164.2	-169.9	-96.4	0	0	0	111.4	E413 L414 R668 L669 C670	E413-H666 IonicContact OE1-CE1 3.95Å; E413-H666 PolarHBondContact OE1-CE1 2.78Å; E413-H666 IonicContact OE1-NE2 3.45Å; E413-H666 IonicContact OE2-NE2 3.42Å; L414-H666 HydrophobicContact CD2-CB 3.98Å; L414-H666 WeakPolarHBondContact CD2-ND1 3.45Å; H666-R668 PolarHBondContact O-N 2.85Å; H666-L669 WeakPolarHBondContact O-CA 3.28Å; H666-L669 PolarHBondContact O-N 3.25Å; H666-C670 PolarHBondContact O-N 3.06Å; H666-C670 VanDerWaalsContact O-N 3.16Å; H666-C670 PolarHBondContact O-SG 2.97Å
667	P	75.7	Confident	75.8	Confident	102 Å²	102	41.2 Å²	41.2	66%	0.662	22%	0.221	S	C	*	.	H	α-helix	trans	-47.7	-34.8	-176.9	-32.3	35.6	0	0	0	115.8	L669 C670	P667-L669 VanDerWaalsContact C-N 3.31Å; P667-L669 PolarHBondContact O-N 3.17Å; P667-C670 VanDerWaalsContact CA-SG 3.52Å
668	R	75.8	Confident	76.3	Confident	75 Å²	75	48.3 Å²	48.3	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-70.1	-27	179.2	-61.2	179.5	69.4	166.9	6.3	113.6	L414 H666 L746 D747 D749 L752	L414-R668 HydrophobicContact CD2-CB 4.38Å; H666-R668 PolarHBondContact O-N 2.85Å; R668-L746 PolarHBondContact NH1-O 2.65Å; R668-L746 PolarHBondContact NH2-O 2.68Å; R668-D747 IonicContact NH1-OD1 3.01Å; R668-D747 PolarHBondContact NH2-O 2.94Å; R668-D749 IonicContact CZ-OD1 3.72Å; R668-D749 IonicContact NE-OD1 2.81Å; R668-D749 PolarHBondContact NE-OD1 3.3Å; R668-D749 IonicContact NH2-OD1 3.58Å; R668-D749 PolarHBondContact NH2-OD1 3.43Å; R668-L752 HydrophobicContact CB-CD2 4.08Å
669	L	79.7	Confident	76.8	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-96.8	-15.7	-179.1	-64.6	175.2	0	0	0	112.8	L414 W417 P665 H666 P667 K671 W672 Y673 F730 I734 L752	L414-L669 HydrophobicContact CD2-CD1 3.99Å; L414-L669 HydrophobicContact CD2-CG 4.09Å; W417-L669 HydrophobicContact CH2-CD1 4.43Å; W417-L669 HydrophobicContact CZ2-CD1 4.1Å; P665-L669 HydrophobicContact CB-CB 4.01Å; H666-L669 WeakPolarHBondContact O-CA 3.28Å; H666-L669 PolarHBondContact O-N 3.25Å; P667-L669 VanDerWaalsContact C-N 3.31Å; P667-L669 PolarHBondContact O-N 3.17Å; L669-K671 VanDerWaalsContact C-N 3.29Å; L669-K671 PolarHBondContact O-N 3.34Å; L669-W672 PolarHBondContact O-N 3.14Å; L669-Y673 PolarHBondContact O-N 3.34Å; L669-F730 HydrophobicContact CD1-CE1 3.78Å; L669-F730 HydrophobicContact CD1-CZ 4.17Å; L669-F730 HydrophobicContact CD2-CE1 3.88Å; L669-F730 HydrophobicContact CD2-CZ 3.49Å; L669-F730 VanDerWaalsContact CD2-CZ 3.49Å; L669-F730 HydrophobicContact CG-CE1 4.44Å; L669-F730 HydrophobicContact CG-CZ 4.47Å; L669-I734 HydrophobicContact CD1-CD1 4.13Å; L669-L752 HydrophobicContact CD2-CD1 3.95Å; L669-L752 HydrophobicContact CD2-CD2 3.7Å; L669-L752 HydrophobicContact CD2-CG 3.87Å; L669-L752 HydrophobicContact CG-CD2 4.41Å
670	C	79.9	Confident	77.6	Confident	42 Å²	42	51.2 Å²	51.2	28%	0.284	26%	0.261	S	S	.	.	H	α-helix	trans	-48.2	-48.7	-179.2	-67.8	0	0	0	0	112.5	P665 H666 P667 W672 Y673 S674	P665-C670 HydrophobicContact CG-CB 4.38Å; H666-C670 PolarHBondContact O-N 3.06Å; H666-C670 VanDerWaalsContact O-N 3.16Å; H666-C670 PolarHBondContact O-SG 2.97Å; P667-C670 VanDerWaalsContact CA-SG 3.52Å; C670-W672 PolarHBondContact O-N 3.28Å; C670-Y673 PolarHBondContact O-N 3.47Å; C670-S674 WeakPolarHBondContact O-CB 3.26Å; C670-S674 PolarHBondContact O-N 3.12Å; C670-S674 PolarHBondContact O-OG 2.79Å
671	K	79.8	Confident	78.3	Confident	187 Å²	187	51.4 Å²	51.4	81%	0.813	26%	0.263	S	S	*	.	H	α-helix	trans	-61.5	-42.5	-179.4	-69.5	-177.6	179.4	176.7	0	113.1	L669 S675	L669-K671 VanDerWaalsContact C-N 3.29Å; L669-K671 PolarHBondContact O-N 3.34Å; K671-S675 VanDerWaalsContact O-CB 3.26Å; K671-S675 WeakPolarHBondContact O-CB 3.41Å; K671-S675 PolarHBondContact O-N 3.33Å; K671-S675 VanDerWaalsContact O-N 3.1Å
672	W	79.6	Confident	78.5	Confident	37 Å²	37	52.3 Å²	52.3	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-70.1	-49.2	179.5	171	75.8	0	0	0	110.9	L669 C670 S675 M676 F730 C756 N760	L669-W672 PolarHBondContact O-N 3.14Å; C670-W672 PolarHBondContact O-N 3.28Å; W672-S675 WeakPolarHBondContact O-CB 3.32Å; W672-S675 PolarHBondContact O-N 3Å; W672-M676 HydrophobicContact CZ2-CG 4.3Å; W672-M676 PolarHBondContact O-N 3.43Å; W672-F730 HydrophobicContact CE3-CD1 4.49Å; W672-F730 HydrophobicContact CE3-CE1 4.22Å; W672-F730 HydrophobicContact CE3-CZ 4.44Å; W672-F730 HydrophobicContact CH2-CB 3.92Å; W672-F730 AromaticContact CH2-CD1 3.71Å; W672-F730 HydrophobicContact CH2-CD1 3.71Å; W672-F730 HydrophobicContact CH2-CD2 4.16Å; W672-F730 HydrophobicContact CH2-CE1 4.23Å; W672-F730 AromaticContact CH2-CG 3.65Å; W672-F730 HydrophobicContact CH2-CG 3.65Å; W672-F730 HydrophobicContact CZ2-CD2 4.47Å; W672-F730 HydrophobicContact CZ2-CG 4.35Å; W672-F730 AromaticContact CZ3-CD1 3.57Å; W672-F730 HydrophobicContact CZ3-CD1 3.57Å; W672-F730 AromaticContact CZ3-CE1 3.7Å; W672-F730 HydrophobicContact CZ3-CE1 3.7Å; W672-F730 AromaticContact CZ3-CG 3.99Å; W672-F730 HydrophobicContact CZ3-CG 3.99Å; W672-F730 HydrophobicContact CZ3-CZ 4.25Å; W672-C756 HydrophobicContact CD2-CB 4.14Å; W672-C756 HydrophobicContact CG-CB 3.93Å; W672-N760 PolarHBondContact NE1-OD1 2.83Å
673	Y	82.1	Confident	79.3	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-47.2	-179.5	-173.7	-106.1	0	0	0	111.7	W417 F660 L663 P665 L669 C670 S675 M676 L677 F723 F727	W417-Y673 HydrophobicContact CH2-CD2 4.15Å; W417-Y673 AromaticContact CZ3-CD2 3.91Å; W417-Y673 HydrophobicContact CZ3-CD2 3.91Å; W417-Y673 HydrophobicContact CZ3-CE2 4.13Å; W417-Y673 HydrophobicContact CZ3-CG 4.14Å; F660-Y673 VanDerWaalsContact C-OH 3.32Å; F660-Y673 WeakPolarHBondContact CA-OH 3.43Å; F660-Y673 PolarHBondContact O-OH 3.29Å; L663-Y673 HydrophobicContact CB-CE1 4.35Å; P665-Y673 HydrophobicContact CB-CG 4.48Å; P665-Y673 HydrophobicContact CG-CD1 3.8Å; P665-Y673 HydrophobicContact CG-CG 4.07Å; L669-Y673 PolarHBondContact O-N 3.34Å; C670-Y673 PolarHBondContact O-N 3.47Å; Y673-S675 VanDerWaalsContact C-N 3.27Å; Y673-S675 PolarHBondContact O-N 3.41Å; Y673-M676 PolarHBondContact O-N 2.91Å; Y673-M676 VanDerWaalsContact O-N 3.11Å; Y673-L677 HydrophobicContact CE1-CD2 4.16Å; Y673-L677 VanDerWaalsContact O-CB 3.32Å; Y673-L677 WeakPolarHBondContact O-CB 3.43Å; Y673-L677 PolarHBondContact O-N 3.32Å; Y673-F723 HydrophobicContact CE2-CE1 4.38Å; Y673-F723 AromaticContact CE2-CZ 3.97Å; Y673-F723 HydrophobicContact CE2-CZ 3.97Å; Y673-F727 HydrophobicContact CD2-CD2 4.24Å; Y673-F727 AromaticContact CD2-CE2 3.98Å; Y673-F727 HydrophobicContact CD2-CE2 3.98Å; Y673-F727 AromaticContact CE2-CD2 3.84Å; Y673-F727 HydrophobicContact CE2-CD2 3.84Å; Y673-F727 AromaticContact CE2-CE2 3.59Å; Y673-F727 HydrophobicContact CE2-CE2 3.59Å
674	S	82.3	Confident	80	Confident	55 Å²	55	54 Å²	54	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-33.6	175.3	-59.1	0	0	0	0	112.4	C670 K678	C670-S674 WeakPolarHBondContact O-CB 3.26Å; C670-S674 PolarHBondContact O-N 3.12Å; C670-S674 PolarHBondContact O-OG 2.79Å; S674-K678 VanDerWaalsContact O-CB 3.28Å; S674-K678 WeakPolarHBondContact O-CB 3.43Å; S674-K678 WeakPolarHBondContact O-CG 3.48Å; S674-K678 PolarHBondContact O-N 3.11Å
675	S	83	Confident	80.5	Confident	78 Å²	78	52 Å²	52	55%	0.545	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-39.2	173.7	-176.7	0	0	0	0	111.9	K671 W672 Y673 K679	K671-S675 VanDerWaalsContact O-CB 3.26Å; K671-S675 WeakPolarHBondContact O-CB 3.41Å; K671-S675 PolarHBondContact O-N 3.33Å; K671-S675 VanDerWaalsContact O-N 3.1Å; W672-S675 WeakPolarHBondContact O-CB 3.32Å; W672-S675 PolarHBondContact O-N 3Å; Y673-S675 VanDerWaalsContact C-N 3.27Å; Y673-S675 PolarHBondContact O-N 3.41Å; S675-K679 WeakPolarHBondContact O-CB 3.49Å; S675-K679 PolarHBondContact O-N 2.75Å; S675-K679 VanDerWaalsContact O-N 3.16Å
676	M	79.1	Confident	80.5	Confident	16 Å²	16	54.6 Å²	54.6	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-43.4	178.2	-91.4	-58.5	-155.4	0	0	112	W672 Y673 K679 L680 F723 N760	W672-M676 HydrophobicContact CZ2-CG 4.3Å; W672-M676 PolarHBondContact O-N 3.43Å; Y673-M676 PolarHBondContact O-N 2.91Å; Y673-M676 VanDerWaalsContact O-N 3.11Å; M676-K679 WeakPolarHBondContact O-CB 3.46Å; M676-K679 PolarHBondContact O-N 3.43Å; M676-K679 VanDerWaalsContact O-N 3.14Å; M676-K679 HydrophobicContact SD-CD 4.5Å; M676-L680 PolarHBondContact O-N 2.94Å; M676-F723 HydrophobicContact CB-CE2 3.9Å; M676-N760 HydrophobicContact CE-CB 3.99Å; M676-N760 WeakPolarHBondContact CE-OD1 3.42Å
677	L	84	Confident	80.4	Confident	17 Å²	17	54.8 Å²	54.8	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-62.4	-44.1	175.9	-169.4	63.5	0	0	0	111.3	F660 Y673 K679 L680 D681 F723	F660-L677 HydrophobicContact CB-CD1 3.85Å; Y673-L677 HydrophobicContact CE1-CD2 4.16Å; Y673-L677 VanDerWaalsContact O-CB 3.32Å; Y673-L677 WeakPolarHBondContact O-CB 3.43Å; Y673-L677 PolarHBondContact O-N 3.32Å; L677-K679 VanDerWaalsContact C-N 3.26Å; L677-K679 PolarHBondContact O-N 2.75Å; L677-L680 HydrophobicContact CD1-CD2 4.32Å; L677-L680 WeakPolarHBondContact O-CB 3.25Å; L677-L680 PolarHBondContact O-N 3.18Å; L677-D681 WeakPolarHBondContact O-CB 3.42Å; L677-D681 PolarHBondContact O-N 3.25Å; L677-F723 HydrophobicContact CD1-CZ 4.47Å
678	K	84.7	Confident	80.3	Confident	151 Å²	151	50 Å²	50	66%	0.657	25%	0.245	S	C	*	.	H	α-helix	trans	-60.5	-35.4	173.2	-78.3	178.2	-178.2	-170.5	0	113	S674 Q682	S674-K678 VanDerWaalsContact O-CB 3.28Å; S674-K678 WeakPolarHBondContact O-CB 3.43Å; S674-K678 WeakPolarHBondContact O-CG 3.48Å; S674-K678 PolarHBondContact O-N 3.11Å; K678-Q682 VanDerWaalsContact O-CB 3.24Å; K678-Q682 WeakPolarHBondContact O-CB 3.44Å; K678-Q682 PolarHBondContact O-N 3Å
679	K	82.8	Confident	80	Confident	111 Å²	111	50.5 Å²	50.5	48%	0.483	25%	0.25	S	C	.	.	H	α-helix	trans	-68.5	-46.4	176.8	-173	-174.3	170	-156.6	0	110.6	S675 M676 L677 Q682 E683	S675-K679 WeakPolarHBondContact O-CB 3.49Å; S675-K679 PolarHBondContact O-N 2.75Å; S675-K679 VanDerWaalsContact O-N 3.16Å; M676-K679 WeakPolarHBondContact O-CB 3.46Å; M676-K679 PolarHBondContact O-N 3.43Å; M676-K679 VanDerWaalsContact O-N 3.14Å; M676-K679 HydrophobicContact SD-CD 4.5Å; L677-K679 VanDerWaalsContact C-N 3.26Å; L677-K679 PolarHBondContact O-N 2.75Å; K679-Q682 PolarHBondContact O-N 2.94Å; K679-E683 WeakPolarHBondContact CE-OE1 3.27Å; K679-E683 IonicContact NZ-OE1 3.66Å; K679-E683 WeakPolarHBondContact O-CG 3.42Å; K679-E683 PolarHBondContact O-N 3.04Å
680	L	83	Confident	79.4	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-56.2	-52.4	173.4	177	66.7	0	0	0	111	F660 M676 L677 Q682 E683 I684 I719 I720 F723	F660-L680 HydrophobicContact CD2-CD2 4.45Å; M676-L680 PolarHBondContact O-N 2.94Å; L677-L680 HydrophobicContact CD1-CD2 4.32Å; L677-L680 WeakPolarHBondContact O-CB 3.25Å; L677-L680 PolarHBondContact O-N 3.18Å; L680-Q682 VanDerWaalsContact C-N 3.26Å; L680-Q682 PolarHBondContact O-N 3.48Å; L680-E683 PolarHBondContact O-N 3.38Å; L680-I684 HydrophobicContact CD1-CD1 3.88Å; L680-I684 HydrophobicContact CD1-CG1 4.3Å; L680-I684 HydrophobicContact CG-CD1 3.89Å; L680-I684 VanDerWaalsContact O-CG1 3.3Å; L680-I684 WeakPolarHBondContact O-CG1 3.35Å; L680-I684 PolarHBondContact O-N 2.73Å; L680-I719 HydrophobicContact CD1-CG2 3.56Å; L680-I720 HydrophobicContact CD1-CG1 4.35Å; L680-F723 HydrophobicContact CB-CD2 4.03Å; L680-F723 HydrophobicContact CB-CE2 4.26Å; L680-F723 HydrophobicContact CD1-CB 4.15Å; L680-F723 HydrophobicContact CD1-CD2 4.48Å; L680-F723 HydrophobicContact CD1-CG 4.45Å; L680-F723 HydrophobicContact CD2-CB 4.31Å; L680-F723 HydrophobicContact CD2-CD1 4.09Å; L680-F723 HydrophobicContact CD2-CD2 3.9Å; L680-F723 HydrophobicContact CD2-CE1 4.39Å; L680-F723 HydrophobicContact CD2-CE2 4.16Å; L680-F723 HydrophobicContact CD2-CG 3.84Å; L680-F723 HydrophobicContact CD2-CZ 4.42Å; L680-F723 HydrophobicContact CG-CD2 4.36Å
681	D	84.9	Confident	78.3	Confident	23 Å²	23	55.2 Å²	55.2	12%	0.123	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-39.9	178.9	-69.5	-24.5	0	0	0	111.8	F435 H661 L677 Y685	F435-D681 HydrophobicContact CE1-CB 4.37Å; F435-D681 HydrophobicContact CZ-CB 4.01Å; H661-D681 IonicContact CD2-OD1 3.53Å; H661-D681 IonicContact CE1-OD1 3.32Å; H661-D681 IonicContact CE1-OD2 3.92Å; H661-D681 PolarHBondContact CE1-OD2 3.5Å; H661-D681 IonicContact NE2-OD1 3.62Å; H661-D681 PolarHBondContact NE2-OD1 3.34Å; H661-D681 IonicContact NE2-OD2 2.78Å; H661-D681 PolarHBondContact NE2-OD2 2.92Å; H661-D681 VanDerWaalsContact NE2-OD2 3.15Å; L677-D681 WeakPolarHBondContact O-CB 3.42Å; L677-D681 PolarHBondContact O-N 3.25Å; D681-Y685 WeakPolarHBondContact O-CB 3.36Å; D681-Y685 PolarHBondContact O-N 3.47Å
682	Q	81.8	Confident	77.3	Confident	68 Å²	68	48.1 Å²	48.1	32%	0.318	24%	0.243	S	C	.	.	H	α-helix	trans	-70.5	-41	178.9	-172.4	58.6	40.7	0	0	112.1	K678 K679 L680 Y685 D686	K678-Q682 VanDerWaalsContact O-CB 3.24Å; K678-Q682 WeakPolarHBondContact O-CB 3.44Å; K678-Q682 PolarHBondContact O-N 3Å; K679-Q682 PolarHBondContact O-N 2.94Å; L680-Q682 VanDerWaalsContact C-N 3.26Å; L680-Q682 PolarHBondContact O-N 3.48Å; Q682-Y685 PolarHBondContact O-N 3.2Å; Q682-D686 PolarHBondContact NE2-OD1 3.17Å; Q682-D686 PolarHBondContact NE2-OD2 3.4Å; Q682-D686 WeakPolarHBondContact O-CB 3.39Å; Q682-D686 VanDerWaalsContact O-CG 3.23Å; Q682-D686 PolarHBondContact O-N 3.37Å
683	E	81.5	Confident	75.8	Confident	70 Å²	70	49.9 Å²	49.9	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-63.3	-44	175.5	-75.1	175.6	175.3	0	0	111.3	K679 L680 D686 L687 I719	K679-E683 WeakPolarHBondContact CE-OE1 3.27Å; K679-E683 IonicContact NZ-OE1 3.66Å; K679-E683 WeakPolarHBondContact O-CG 3.42Å; K679-E683 PolarHBondContact O-N 3.04Å; L680-E683 PolarHBondContact O-N 3.38Å; E683-D686 PolarHBondContact O-N 3.46Å; E683-L687 WeakPolarHBondContact O-CG 3.41Å; E683-L687 PolarHBondContact O-N 3.37Å; E683-I719 HydrophobicContact CB-CD1 4.47Å
684	I	80.8	Confident	74	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-47.8	174.1	-66	174.5	0	0	0	110.4	F435 M657 L680 D686 L687 L688 I716 I720	F435-I684 HydrophobicContact CD1-CG2 4.17Å; F435-I684 HydrophobicContact CE1-CG2 4.4Å; M657-I684 HydrophobicContact CE-CD1 4.26Å; M657-I684 HydrophobicContact CE-CG2 4.45Å; M657-I684 HydrophobicContact CG-CD1 4.27Å; M657-I684 HydrophobicContact SD-CD1 4.07Å; M657-I684 HydrophobicContact SD-CG2 4.38Å; L680-I684 HydrophobicContact CD1-CD1 3.88Å; L680-I684 HydrophobicContact CD1-CG1 4.3Å; L680-I684 HydrophobicContact CG-CD1 3.89Å; L680-I684 VanDerWaalsContact O-CG1 3.3Å; L680-I684 WeakPolarHBondContact O-CG1 3.35Å; L680-I684 PolarHBondContact O-N 2.73Å; I684-D686 VanDerWaalsContact C-N 3.34Å; I684-D686 PolarHBondContact O-N 2.68Å; I684-L687 PolarHBondContact O-N 3.29Å; I684-L688 HydrophobicContact CG2-CD1 3.76Å; I684-L688 HydrophobicContact CG2-CG 4.41Å; I684-L688 WeakPolarHBondContact O-CB 3.18Å; I684-L688 VanDerWaalsContact O-CG 3.27Å; I684-L688 WeakPolarHBondContact O-CG 3.48Å; I684-L688 PolarHBondContact O-N 3.07Å; I684-I716 HydrophobicContact CD1-CG2 4.29Å; I684-I716 HydrophobicContact CG1-CG2 4.12Å; I684-I716 HydrophobicContact CG2-CG2 4.39Å; I684-I720 HydrophobicContact CD1-CD1 4.23Å; I684-I720 HydrophobicContact CD1-CG1 4.12Å
685	Y	78.1	Confident	72	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.02	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-41.4	179.2	-176.4	-91.6	0	0	0	112.1	K524 P525 L527 D681 Q682 L688 K689	K524-Y685 HydrophobicContact CD-CE1 4.47Å; K524-Y685 HydrophobicContact CD-CE2 4.37Å; P525-Y685 VanDerWaalsContact CD-OH 3.27Å; P525-Y685 WeakPolarHBondContact CD-OH 3.34Å; P525-Y685 WeakPolarHBondContact CG-OH 3.44Å; P525-Y685 PolarHBondContact O-OH 3.19Å; L527-Y685 HydrophobicContact CD1-CD2 3.38Å; L527-Y685 HydrophobicContact CD1-CE2 3.29Å; L527-Y685 HydrophobicContact CD1-CG 4.13Å; L527-Y685 HydrophobicContact CG-CD2 4.3Å; L527-Y685 HydrophobicContact CG-CE2 3.7Å; D681-Y685 WeakPolarHBondContact O-CB 3.36Å; D681-Y685 PolarHBondContact O-N 3.47Å; Q682-Y685 PolarHBondContact O-N 3.2Å; Y685-L688 PolarHBondContact O-N 3.37Å; Y685-K689 HydrophobicContact CE1-CB 4.45Å; Y685-K689 HydrophobicContact CE1-CD 3.88Å; Y685-K689 WeakPolarHBondContact O-CB 3.38Å; Y685-K689 PolarHBondContact O-N 2.87Å
686	D	76	Confident	69.9	Low	66 Å²	66	58.5 Å²	58.5	35%	0.353	31%	0.31	S	S	.	.	H	α-helix	trans	-67.7	-41	178.8	-73.9	-28.4	0	0	0	111.7	Q682 E683 I684 K689 I690	Q682-D686 PolarHBondContact NE2-OD1 3.17Å; Q682-D686 PolarHBondContact NE2-OD2 3.4Å; Q682-D686 WeakPolarHBondContact O-CB 3.39Å; Q682-D686 VanDerWaalsContact O-CG 3.23Å; Q682-D686 PolarHBondContact O-N 3.37Å; E683-D686 PolarHBondContact O-N 3.46Å; I684-D686 VanDerWaalsContact C-N 3.34Å; I684-D686 PolarHBondContact O-N 2.68Å; D686-K689 PolarHBondContact O-N 2.8Å; D686-I690 WeakPolarHBondContact O-CD1 3.44Å; D686-I690 WeakPolarHBondContact O-CG1 3.3Å; D686-I690 PolarHBondContact O-N 3.48Å
687	L	74.8	Confident	67.7	Low	38 Å²	38	64.8 Å²	64.8	20%	0.199	34%	0.344	C	S	.	.	H	α-helix	trans	-58.9	-47.9	171	-76.3	179.3	0	0	0	111.3	E683 I684 K689 I690 H691 D715 I716 I719	E683-L687 WeakPolarHBondContact O-CG 3.41Å; E683-L687 PolarHBondContact O-N 3.37Å; I684-L687 PolarHBondContact O-N 3.29Å; L687-K689 VanDerWaalsContact C-N 3.32Å; L687-K689 PolarHBondContact O-N 3.3Å; L687-I690 PolarHBondContact O-N 3.43Å; L687-H691 PolarHBondContact O-CD2 2.92Å; L687-H691 VanDerWaalsContact O-CD2 3.3Å; L687-D715 HydrophobicContact CD1-CB 4.3Å; L687-I716 HydrophobicContact CB-CG1 4.45Å; L687-I716 HydrophobicContact CD1-CG1 3.87Å; L687-I719 HydrophobicContact CD1-CD1 3.4Å; L687-I719 HydrophobicContact CG-CD1 4.47Å
688	L	72.7	Confident	65	Low	2 Å²	2	71.9 Å²	71.9	1%	0.01	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-35.8	178.6	-66.8	170.2	0	0	0	112.2	F435 L527 I684 Y685 H691 S692 F708 I716	F435-L688 HydrophobicContact CB-CD1 4.15Å; F435-L688 HydrophobicContact CD1-CD1 4.3Å; F435-L688 WeakPolarHBondContact O-CD1 3.41Å; L527-L688 HydrophobicContact CD1-CB 3.79Å; I684-L688 HydrophobicContact CG2-CD1 3.76Å; I684-L688 HydrophobicContact CG2-CG 4.41Å; I684-L688 WeakPolarHBondContact O-CB 3.18Å; I684-L688 VanDerWaalsContact O-CG 3.27Å; I684-L688 WeakPolarHBondContact O-CG 3.48Å; I684-L688 PolarHBondContact O-N 3.07Å; Y685-L688 PolarHBondContact O-N 3.37Å; L688-H691 PolarHBondContact O-N 3.41Å; L688-S692 PolarHBondContact O-N 2.94Å; L688-S692 VanDerWaalsContact O-N 3.07Å; L688-F708 HydrophobicContact CD2-CE1 3.79Å; L688-F708 HydrophobicContact CD2-CZ 4.29Å; L688-I716 HydrophobicContact CD2-CD1 3.78Å; L688-I716 HydrophobicContact CG-CD1 4.07Å
689	K	69.9	Low	62.4	Low	86 Å²	86	72.1 Å²	72.1	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-72.1	-39	178.6	-173	179.2	-177.3	178.5	0	113.8	L527 Y685 D686 L687 H691 S692 S693	L527-K689 HydrophobicContact CD2-CB 4.06Å; L527-K689 HydrophobicContact CD2-CG 4.41Å; Y685-K689 HydrophobicContact CE1-CB 4.45Å; Y685-K689 HydrophobicContact CE1-CD 3.88Å; Y685-K689 WeakPolarHBondContact O-CB 3.38Å; Y685-K689 PolarHBondContact O-N 2.87Å; D686-K689 PolarHBondContact O-N 2.8Å; L687-K689 VanDerWaalsContact C-N 3.32Å; L687-K689 PolarHBondContact O-N 3.3Å; K689-H691 PolarHBondContact O-N 3.16Å; K689-S692 WeakPolarHBondContact CA-OG 3.46Å; K689-S692 PolarHBondContact O-N 3.29Å; K689-S692 PolarHBondContact O-OG 3.35Å; K689-S692 VanDerWaalsContact O-OG 3.13Å; K689-S693 WeakPolarHBondContact O-CB 3.28Å; K689-S693 PolarHBondContact O-N 2.95Å; K689-S693 PolarHBondContact O-OG 2.92Å
690	I	66	Low	60	Low	88 Å²	88	71.8 Å²	71.8	45%	0.451	40%	0.395	S	S	.	.	H	α-helix	trans	-57.9	-35.2	176	-73.3	164.1	0	0	0	110.4	D686 L687 S693	D686-I690 WeakPolarHBondContact O-CD1 3.44Å; D686-I690 WeakPolarHBondContact O-CG1 3.3Å; D686-I690 PolarHBondContact O-N 3.48Å; L687-I690 PolarHBondContact O-N 3.43Å; I690-S693 PolarHBondContact O-OG 2.98Å
691	H	57.7	Low	57.7	Low	53 Å²	53	79 Å²	79	25%	0.245	44%	0.438	C	S	.	.	H	α-helix	trans	-83.2	-36	179.6	-76.7	-87.1	0	0	0	113.2	L687 L688 K689 S693 F708 T712	L687-H691 PolarHBondContact O-CD2 2.92Å; L687-H691 VanDerWaalsContact O-CD2 3.3Å; L688-H691 PolarHBondContact O-N 3.41Å; K689-H691 PolarHBondContact O-N 3.16Å; H691-S693 PolarHBondContact O-N 3.24Å; H691-F708 HydrophobicContact CB-CD1 3.83Å; H691-F708 HydrophobicContact CB-CE1 3.37Å; H691-F708 HydrophobicContact CB-CZ 3.83Å; H691-T712 PolarHBondContact CD2-OG1 3.34Å; H691-T712 PolarHBondContact CE1-OG1 3.1Å; H691-T712 VanDerWaalsContact CE1-OG1 3.23Å; H691-T712 PolarHBondContact NE2-OG1 3.33Å; H691-T712 VanDerWaalsContact NE2-OG1 3.11Å
692	S	57.8	Low	55.3	Low	38 Å²	38	82.7 Å²	82.7	27%	0.266	47%	0.467	S	S	.	.	H	α-helix	trans	-68.3	-32.2	174.8	70.8	0	0	0	0	113.6	L527 L688 K689 S695	L527-S692 VanDerWaalsContact CD2-OG 3.25Å; L527-S692 WeakPolarHBondContact CD2-OG 3.41Å; L688-S692 PolarHBondContact O-N 2.94Å; L688-S692 VanDerWaalsContact O-N 3.07Å; K689-S692 WeakPolarHBondContact CA-OG 3.46Å; K689-S692 PolarHBondContact O-N 3.29Å; K689-S692 PolarHBondContact O-OG 3.35Å; K689-S692 VanDerWaalsContact O-OG 3.13Å; S692-S695 WeakPolarHBondContact O-CB 3.44Å; S692-S695 PolarHBondContact O-OG 2.99Å
693	S	48.7	Very low	53	Low	75 Å²	75	87.9 Å²	87.9	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-82.7	-13.1	-176.3	59.3	0	0	0	0	115.6	K689 I690 H691 S695	K689-S693 WeakPolarHBondContact O-CB 3.28Å; K689-S693 PolarHBondContact O-N 2.95Å; K689-S693 PolarHBondContact O-OG 2.92Å; I690-S693 PolarHBondContact O-OG 2.98Å; H691-S693 PolarHBondContact O-N 3.24Å; S693-S695 PolarHBondContact O-N 3.47Å
694	K	44.3	Very low	50.4	Low	131 Å²	131	90.7 Å²	90.7	57%	0.57	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	8.3	170.7	-82	177.7	-179.5	168.7	0	113.7
695	S	40.8	Very low	47.9	Very low	105 Å²	105	95.9 Å²	95.9	73%	0.734	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-11.8	-178	66	0	0	0	0	116.2	S692 S693	S692-S695 WeakPolarHBondContact O-CB 3.44Å; S692-S695 PolarHBondContact O-OG 2.99Å; S693-S695 PolarHBondContact O-N 3.47Å
696	A	38.6	Very low	45.8	Very low	82 Å²	82	102.8 Å²	102.8	68%	0.678	57%	0.572	S	S	*	*	S	Bend	trans	-97.5	-22.1	-166.7	0	0	0	0	0	117.5
697	N	32	Very low	44.2	Very low	148 Å²	148	101.6 Å²	101.6	79%	0.791	57%	0.569	S	S	*	*	S	Bend	trans	-127.1	100	-177.4	-82.2	-14.9	0	0	0	110.4
698	M	28.5	Very low	43	Very low	165 Å²	165	101.9 Å²	101.9	81%	0.813	57%	0.568	S	S	*	*			trans	176.2	100.1	140.5	-92.5	-75.1	170.2	0	0	108.2	T700	M698-T700 PolarHBondContact O-N 3.08Å
699	D	29.5	Very low	42.2	Very low	156 Å²	156	104.2 Å²	104.2	83%	0.834	58%	0.584	S	S	*	*			trans	-53.4	115.7	158.3	-68.9	-49.7	0	0	0	109
700	T	32.2	Very low	41.6	Very low	105 Å²	105	103 Å²	103	64%	0.644	58%	0.581	S	S	*	*			trans	166.1	119.8	145.7	34	0	0	0	0	109.2	M698 S702	M698-T700 PolarHBondContact O-N 3.08Å; T700-S702 PolarHBondContact O-N 3.5Å
701	V	35.5	Very low	41.6	Very low	154 Å²	154	101.8 Å²	101.8	93%	0.933	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	32.4	-169.9	176.4	0	0	0	0	113.8
702	S	35.1	Very low	41.9	Very low	102 Å²	102	99.2 Å²	99.2	71%	0.713	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	6.3	-176.2	62.3	0	0	0	0	117.7	T700	T700-S702 PolarHBondContact O-N 3.5Å
703	K	31.9	Very low	42.5	Very low	176 Å²	176	98.6 Å²	98.6	77%	0.765	56%	0.561	S	S	*	*			trans	-148	42.1	171	-72.8	-168.1	177.4	177.3	0	113.9	T705	K703-T705 PolarHBondContact O-N 3.4Å
704	V	28.3	Very low	43.3	Very low	129 Å²	129	97.3 Å²	97.3	78%	0.782	55%	0.551	S	S	*	*			trans	-83.1	62.7	170	-169.8	0	0	0	0	109
705	T	28	Very low	44.6	Very low	110 Å²	110	94.1 Å²	94.1	68%	0.675	54%	0.54	S	S	*	.			trans	-107.2	81.7	165	49.4	0	0	0	0	106.1	K703	K703-T705 PolarHBondContact O-N 3.4Å
706	K	34.2	Very low	46.2	Very low	150 Å²	150	89.1 Å²	89.1	65%	0.652	51%	0.505	S	S	*	.			trans	-144.2	61	179.8	-68.5	-172.2	-175.8	172.4	0	110.1
707	S	41.7	Very low	47.6	Very low	41 Å²	41	87.8 Å²	87.8	29%	0.287	49%	0.487	S	S	.	.	S	Bend	trans	-73.9	165.4	158.6	60.3	0	0	0	0	110.7	D549 P709	D549-S707 VanDerWaalsContact CB-CB 3.46Å; D549-S707 WeakPolarHBondContact OD1-CB 3.36Å; D549-S707 PolarHBondContact OD1-OG 3.44Å; D549-S707 WeakPolarHBondContact OD2-CB 3.46Å; D549-S707 PolarHBondContact OD2-OG 3.42Å; S707-P709 WeakPolarHBondContact O-CD 3.46Å; S707-P709 VanDerWaalsContact O-N 3.16Å
708	F	49.8	Very low	49.3	Very low	44 Å²	44	86.6 Å²	86.6	19%	0.193	48%	0.476	C	S	.	.			trans	-56.9	115.9	173.1	-87.4	-92.5	0	0	0	109.5	A529 L688 H691 L710 T712 F713	A529-F708 HydrophobicContact CB-CE2 3.66Å; A529-F708 HydrophobicContact CB-CZ 3.59Å; A529-F708 WeakPolarHBondContact O-CE2 3.42Å; L688-F708 HydrophobicContact CD2-CE1 3.79Å; L688-F708 HydrophobicContact CD2-CZ 4.29Å; H691-F708 HydrophobicContact CB-CD1 3.83Å; H691-F708 HydrophobicContact CB-CE1 3.37Å; H691-F708 HydrophobicContact CB-CZ 3.83Å; F708-L710 PolarHBondContact O-N 3.22Å; F708-T712 HydrophobicContact CD1-CG2 4.17Å; F708-T712 HydrophobicContact CE1-CG2 4.42Å; F708-F713 HydrophobicContact CB-CE2 4.09Å; F708-F713 HydrophobicContact CB-CZ 4.46Å
709	P	55.8	Low	51.4	Low	51 Å²	51	80.2 Å²	80.2	33%	0.331	45%	0.445	S	S	.	.			trans	-66.3	136.7	174.8	27.5	-29.8	0	0	0	107.8	S707 S711 T712	S707-P709 WeakPolarHBondContact O-CD 3.46Å; S707-P709 VanDerWaalsContact O-N 3.16Å; P709-S711 WeakPolarHBondContact CB-OG 3.35Å; P709-S711 PolarHBondContact O-N 2.04Å; P709-T712 WeakPolarHBondContact O-CB 3.29Å; P709-T712 PolarHBondContact O-N 2.79Å; P709-T712 PolarHBondContact O-OG1 2.9Å
710	L	57.4	Low	53.3	Low	61 Å²	61	73.1 Å²	73.1	32%	0.319	41%	0.407	S	S	.	.	H	α-helix	trans	-42.2	-33.3	172	174	64	0	0	0	113.1	H646 L649 F708 T712 F713 C714	H646-L710 HydrophobicContact CB-CD1 3.91Å; H646-L710 VanDerWaalsContact CE1-CD2 3.49Å; H646-L710 WeakPolarHBondContact CE1-CD2 3.35Å; H646-L710 VanDerWaalsContact ND1-CD1 3.27Å; H646-L710 WeakPolarHBondContact ND1-CD1 3.43Å; L649-L710 HydrophobicContact CD2-CD1 3.92Å; F708-L710 PolarHBondContact O-N 3.22Å; L710-T712 VanDerWaalsContact C-N 3.28Å; L710-T712 PolarHBondContact O-N 3.42Å; L710-F713 PolarHBondContact O-N 3.15Å; L710-C714 PolarHBondContact O-N 2.87Å; L710-C714 VanDerWaalsContact O-N 3.11Å; L710-C714 PolarHBondContact O-SG 3.33Å
711	S	65	Low	54.7	Low	61 Å²	61	70.3 Å²	70.3	43%	0.427	39%	0.394	S	S	.	.	H	α-helix	trans	-53.1	-40.6	174.7	65	0	0	0	0	113.1	P709 F713 C714 D715	P709-S711 WeakPolarHBondContact CB-OG 3.35Å; P709-S711 PolarHBondContact O-N 2.04Å; S711-F713 VanDerWaalsContact C-N 3.32Å; S711-F713 PolarHBondContact O-N 3.46Å; S711-C714 CarbonylContact O-C 3.58Å; S711-C714 WeakPolarHBondContact O-CB 3.36Å; S711-C714 PolarHBondContact O-N 2.71Å; S711-C714 VanDerWaalsContact O-N 3.14Å; S711-D715 PolarHBondContact O-N 3.19Å
712	T	65.5	Low	55.8	Low	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-38.6	-178.8	-53.6	0	0	0	0	111.8	H691 F708 P709 L710 D715 I716	H691-T712 PolarHBondContact CD2-OG1 3.34Å; H691-T712 PolarHBondContact CE1-OG1 3.1Å; H691-T712 VanDerWaalsContact CE1-OG1 3.23Å; H691-T712 PolarHBondContact NE2-OG1 3.33Å; H691-T712 VanDerWaalsContact NE2-OG1 3.11Å; F708-T712 HydrophobicContact CD1-CG2 4.17Å; F708-T712 HydrophobicContact CE1-CG2 4.42Å; P709-T712 WeakPolarHBondContact O-CB 3.29Å; P709-T712 PolarHBondContact O-N 2.79Å; P709-T712 PolarHBondContact O-OG1 2.9Å; L710-T712 VanDerWaalsContact C-N 3.28Å; L710-T712 PolarHBondContact O-N 3.42Å; T712-D715 PolarHBondContact O-N 3.39Å; T712-I716 HydrophobicContact CG2-CD1 4.25Å; T712-I716 WeakPolarHBondContact O-CD1 3.36Å; T712-I716 VanDerWaalsContact O-CG1 3.23Å; T712-I716 WeakPolarHBondContact O-CG1 3.32Å; T712-I716 PolarHBondContact O-N 3.49Å
713	F	68.8	Low	57.4	Low	25 Å²	25	62.5 Å²	62.5	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-72.6	-33.4	176.1	-67.6	-62.3	0	0	0	111.9	L649 P650 I653 F708 L710 S711 I716 L717	L649-F713 HydrophobicContact CB-CB 4.42Å; L649-F713 HydrophobicContact CD2-CB 3.33Å; L649-F713 HydrophobicContact CD2-CG 4.4Å; L649-F713 HydrophobicContact CG-CB 3.82Å; P650-F713 HydrophobicContact CB-CE1 3.97Å; P650-F713 HydrophobicContact CB-CZ 4.19Å; P650-F713 HydrophobicContact CG-CD1 4.31Å; P650-F713 HydrophobicContact CG-CD2 4.45Å; P650-F713 HydrophobicContact CG-CE1 3.86Å; P650-F713 HydrophobicContact CG-CE2 4.02Å; P650-F713 HydrophobicContact CG-CZ 3.7Å; I653-F713 HydrophobicContact CD1-CB 3.93Å; I653-F713 HydrophobicContact CD1-CD1 3.59Å; I653-F713 HydrophobicContact CD1-CG 4.22Å; F708-F713 HydrophobicContact CB-CE2 4.09Å; F708-F713 HydrophobicContact CB-CZ 4.46Å; L710-F713 PolarHBondContact O-N 3.15Å; S711-F713 VanDerWaalsContact C-N 3.32Å; S711-F713 PolarHBondContact O-N 3.46Å; F713-I716 HydrophobicContact CD1-CD1 4.36Å; F713-I716 PolarHBondContact O-N 3.17Å; F713-L717 PolarHBondContact O-N 3.43Å
714	C	66.8	Low	58.8	Low	47 Å²	47	55.8 Å²	55.8	32%	0.318	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-45.2	170	-64.3	0	0	0	0	111.3	L710 S711 I716 L717 E718	L710-C714 PolarHBondContact O-N 2.87Å; L710-C714 VanDerWaalsContact O-N 3.11Å; L710-C714 PolarHBondContact O-SG 3.33Å; S711-C714 CarbonylContact O-C 3.58Å; S711-C714 WeakPolarHBondContact O-CB 3.36Å; S711-C714 PolarHBondContact O-N 2.71Å; S711-C714 VanDerWaalsContact O-N 3.14Å; C714-I716 VanDerWaalsContact C-N 3.31Å; C714-I716 PolarHBondContact O-N 3.35Å; C714-L717 WeakPolarHBondContact O-CB 3.41Å; C714-L717 PolarHBondContact O-N 3.19Å; C714-L717 VanDerWaalsContact O-N 3.13Å; C714-E718 WeakPolarHBondContact O-CG 3.33Å; C714-E718 PolarHBondContact O-N 2.88Å
715	D	71	Confident	60.1	Low	64 Å²	64	52.4 Å²	52.4	34%	0.342	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-42.1	176.5	-58	-26.2	0	0	0	110.7	L687 S711 T712 E718 I719	L687-D715 HydrophobicContact CD1-CB 4.3Å; S711-D715 PolarHBondContact O-N 3.19Å; T712-D715 PolarHBondContact O-N 3.39Å; D715-E718 PolarHBondContact O-N 3.21Å; D715-I719 WeakPolarHBondContact O-CG1 3.41Å; D715-I719 PolarHBondContact O-N 3.4Å
716	I	74.2	Confident	61.4	Low	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-44	174.9	-69.7	164	0	0	0	111	I653 I684 L687 L688 T712 F713 C714 E718 I719 I720	I653-I716 HydrophobicContact CB-CG2 4.48Å; I653-I716 HydrophobicContact CD1-CB 4.03Å; I653-I716 HydrophobicContact CD1-CG2 3.76Å; I653-I716 HydrophobicContact CG1-CG2 3.97Å; I653-I716 HydrophobicContact CG2-CG2 3.68Å; I684-I716 HydrophobicContact CD1-CG2 4.29Å; I684-I716 HydrophobicContact CG1-CG2 4.12Å; I684-I716 HydrophobicContact CG2-CG2 4.39Å; L687-I716 HydrophobicContact CB-CG1 4.45Å; L687-I716 HydrophobicContact CD1-CG1 3.87Å; L688-I716 HydrophobicContact CD2-CD1 3.78Å; L688-I716 HydrophobicContact CG-CD1 4.07Å; T712-I716 HydrophobicContact CG2-CD1 4.25Å; T712-I716 WeakPolarHBondContact O-CD1 3.36Å; T712-I716 VanDerWaalsContact O-CG1 3.23Å; T712-I716 WeakPolarHBondContact O-CG1 3.32Å; T712-I716 PolarHBondContact O-N 3.49Å; F713-I716 HydrophobicContact CD1-CD1 4.36Å; F713-I716 PolarHBondContact O-N 3.17Å; C714-I716 VanDerWaalsContact C-N 3.31Å; C714-I716 PolarHBondContact O-N 3.35Å; I716-E718 VanDerWaalsContact C-N 3.32Å; I716-E718 PolarHBondContact O-N 2.98Å; I716-I719 PolarHBondContact O-N 3.42Å; I716-I720 HydrophobicContact CG2-CD1 3.82Å; I716-I720 HydrophobicContact CG2-CG1 4.39Å; I716-I720 WeakPolarHBondContact O-CG1 3.47Å; I716-I720 PolarHBondContact O-N 2.82Å
717	L	69.5	Low	62.7	Low	54 Å²	54	42.2 Å²	42.2	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-37.7	175.9	-86.2	-163.3	0	0	0	112.6	L649 I652 I653 F713 C714 I719 I720 A721	L649-L717 HydrophobicContact CD1-CD1 3.27Å; L649-L717 HydrophobicContact CD1-CG 3.96Å; L649-L717 HydrophobicContact CG-CD1 4.25Å; L649-L717 HydrophobicContact CG-CG 4.5Å; I652-L717 HydrophobicContact CG2-CD2 4.4Å; I653-L717 HydrophobicContact CD1-CG 4.39Å; I653-L717 HydrophobicContact CG1-CD2 3.67Å; I653-L717 HydrophobicContact CG1-CG 4.07Å; F713-L717 PolarHBondContact O-N 3.43Å; C714-L717 WeakPolarHBondContact O-CB 3.41Å; C714-L717 PolarHBondContact O-N 3.19Å; C714-L717 VanDerWaalsContact O-N 3.13Å; L717-I719 VanDerWaalsContact C-N 3.35Å; L717-I720 PolarHBondContact O-N 2.87Å; L717-A721 VanDerWaalsContact O-CB 3.27Å; L717-A721 WeakPolarHBondContact O-CB 3.13Å; L717-A721 PolarHBondContact O-N 3.4Å
718	E	66.7	Low	63.3	Low	123 Å²	123	44 Å²	44	58%	0.575	24%	0.244	S	C	*	.	H	α-helix	trans	-60.4	-46.5	174.3	-75.7	-179.2	-175.7	0	0	110.3	C714 D715 I716 I720 A721 E722	C714-E718 WeakPolarHBondContact O-CG 3.33Å; C714-E718 PolarHBondContact O-N 2.88Å; D715-E718 PolarHBondContact O-N 3.21Å; I716-E718 VanDerWaalsContact C-N 3.32Å; I716-E718 PolarHBondContact O-N 2.98Å; E718-I720 VanDerWaalsContact C-N 3.34Å; E718-I720 PolarHBondContact O-N 2.83Å; E718-A721 PolarHBondContact O-N 3.46Å; E718-E722 WeakPolarHBondContact O-CB 3.25Å; E718-E722 VanDerWaalsContact O-CG 3.32Å; E718-E722 WeakPolarHBondContact O-CG 3.34Å; E718-E722 PolarHBondContact O-N 3.03Å
719	I	72.2	Confident	63.3	Low	31 Å²	31	43.4 Å²	43.4	16%	0.159	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-41.1	175.8	-65.6	169.5	0	0	0	111.7	L680 E683 L687 D715 I716 L717 E722 F723	L680-I719 HydrophobicContact CD1-CG2 3.56Å; E683-I719 HydrophobicContact CB-CD1 4.47Å; L687-I719 HydrophobicContact CD1-CD1 3.4Å; L687-I719 HydrophobicContact CG-CD1 4.47Å; D715-I719 WeakPolarHBondContact O-CG1 3.41Å; D715-I719 PolarHBondContact O-N 3.4Å; I716-I719 PolarHBondContact O-N 3.42Å; L717-I719 VanDerWaalsContact C-N 3.35Å; I719-E722 WeakPolarHBondContact O-CB 3.44Å; I719-E722 PolarHBondContact O-N 3.43Å; I719-F723 WeakPolarHBondContact O-CB 3.49Å; I719-F723 PolarHBondContact O-N 2.92Å
720	I	68.7	Low	63.4	Low	6 Å²	6	41 Å²	41	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-41.2	176.2	-72.7	172.7	0	0	0	110.9	I653 C656 F660 L680 I684 I716 L717 E718 F723 S724	I653-I720 HydrophobicContact CB-CD1 4.39Å; I653-I720 HydrophobicContact CG1-CD1 4.29Å; I653-I720 HydrophobicContact CG2-CD1 3.95Å; C656-I720 HydrophobicContact CB-CD1 4.23Å; C656-I720 HydrophobicContact CB-CG2 3.91Å; F660-I720 HydrophobicContact CE2-CG2 3.94Å; L680-I720 HydrophobicContact CD1-CG1 4.35Å; I684-I720 HydrophobicContact CD1-CD1 4.23Å; I684-I720 HydrophobicContact CD1-CG1 4.12Å; I716-I720 HydrophobicContact CG2-CD1 3.82Å; I716-I720 HydrophobicContact CG2-CG1 4.39Å; I716-I720 WeakPolarHBondContact O-CG1 3.47Å; I716-I720 PolarHBondContact O-N 2.82Å; L717-I720 PolarHBondContact O-N 2.87Å; E718-I720 VanDerWaalsContact C-N 3.34Å; E718-I720 PolarHBondContact O-N 2.83Å; I720-F723 PolarHBondContact O-N 2.97Å; I720-S724 WeakPolarHBondContact O-CB 3.49Å; I720-S724 PolarHBondContact O-N 3.16Å; I720-S724 PolarHBondContact O-OG 3.49Å
721	A	62.1	Low	63.3	Low	46 Å²	46	39.7 Å²	39.7	38%	0.38	22%	0.223	S	C	.	.	H	α-helix	trans	-65.1	-43.4	176.7	0	0	0	0	0	110.7	L717 E718 F723 S724 I725	L717-A721 VanDerWaalsContact O-CB 3.27Å; L717-A721 WeakPolarHBondContact O-CB 3.13Å; L717-A721 PolarHBondContact O-N 3.4Å; E718-A721 PolarHBondContact O-N 3.46Å; A721-F723 PolarHBondContact O-N 2.91Å; A721-S724 WeakPolarHBondContact O-CB 3.36Å; A721-S724 PolarHBondContact O-N 3.22Å; A721-S724 VanDerWaalsContact O-N 3.14Å; A721-I725 VanDerWaalsContact O-CG1 3.26Å; A721-I725 WeakPolarHBondContact O-CG1 3.47Å; A721-I725 PolarHBondContact O-N 3.39Å
722	E	59.8	Low	62.7	Low	78 Å²	78	39.2 Å²	39.2	36%	0.364	21%	0.214	S	C	.	.	H	α-helix	trans	-55.2	-49	172.1	-82	-167.2	179.7	0	0	111.8	E718 I719 S724 I725 Q726 I763	E718-E722 WeakPolarHBondContact O-CB 3.25Å; E718-E722 VanDerWaalsContact O-CG 3.32Å; E718-E722 WeakPolarHBondContact O-CG 3.34Å; E718-E722 PolarHBondContact O-N 3.03Å; I719-E722 WeakPolarHBondContact O-CB 3.44Å; I719-E722 PolarHBondContact O-N 3.43Å; E722-S724 VanDerWaalsContact C-N 3.34Å; E722-S724 PolarHBondContact O-N 3.2Å; E722-I725 PolarHBondContact O-N 3.03Å; E722-Q726 WeakPolarHBondContact O-CG 3.5Å; E722-Q726 PolarHBondContact O-N 3.09Å; E722-I763 HydrophobicContact CB-CD1 3.44Å; E722-I763 VanDerWaalsContact CB-CD1 3.44Å; E722-I763 HydrophobicContact CG-CD1 3.64Å
723	F	67.5	Low	62.1	Low	14 Å²	14	41.2 Å²	41.2	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-43.8	174.3	-178.4	-86.1	0	0	0	111.9	F660 Y673 M676 L677 L680 I719 I720 A721 I725 Q726 F727	F660-F723 HydrophobicContact CB-CE1 4.39Å; F660-F723 AromaticContact CD1-CD1 3.97Å; F660-F723 HydrophobicContact CD1-CD1 3.97Å; F660-F723 AromaticContact CD1-CE1 3.47Å; F660-F723 HydrophobicContact CD1-CE1 3.47Å; F660-F723 VanDerWaalsContact CD1-CE1 3.47Å; F660-F723 HydrophobicContact CD2-CD1 4.26Å; F660-F723 HydrophobicContact CD2-CE1 4.29Å; F660-F723 AromaticContact CE1-CD1 3.85Å; F660-F723 HydrophobicContact CE1-CD1 3.85Å; F660-F723 AromaticContact CE1-CE1 3.77Å; F660-F723 HydrophobicContact CE1-CE1 3.77Å; F660-F723 HydrophobicContact CE2-CD1 4.18Å; F660-F723 HydrophobicContact CG-CD1 4.19Å; F660-F723 AromaticContact CG-CE1 3.78Å; F660-F723 HydrophobicContact CG-CE1 3.78Å; F660-F723 AromaticContact CZ-CD1 3.99Å; F660-F723 HydrophobicContact CZ-CD1 3.99Å; F660-F723 HydrophobicContact CZ-CE1 4.33Å; Y673-F723 HydrophobicContact CE2-CE1 4.38Å; Y673-F723 AromaticContact CE2-CZ 3.97Å; Y673-F723 HydrophobicContact CE2-CZ 3.97Å; M676-F723 HydrophobicContact CB-CE2 3.9Å; L677-F723 HydrophobicContact CD1-CZ 4.47Å; L680-F723 HydrophobicContact CB-CD2 4.03Å; L680-F723 HydrophobicContact CB-CE2 4.26Å; L680-F723 HydrophobicContact CD1-CB 4.15Å; L680-F723 HydrophobicContact CD1-CD2 4.48Å; L680-F723 HydrophobicContact CD1-CG 4.45Å; L680-F723 HydrophobicContact CD2-CB 4.31Å; L680-F723 HydrophobicContact CD2-CD1 4.09Å; L680-F723 HydrophobicContact CD2-CD2 3.9Å; L680-F723 HydrophobicContact CD2-CE1 4.39Å; L680-F723 HydrophobicContact CD2-CE2 4.16Å; L680-F723 HydrophobicContact CD2-CG 3.84Å; L680-F723 HydrophobicContact CD2-CZ 4.42Å; L680-F723 HydrophobicContact CG-CD2 4.36Å; I719-F723 WeakPolarHBondContact O-CB 3.49Å; I719-F723 PolarHBondContact O-N 2.92Å; I720-F723 PolarHBondContact O-N 2.97Å; A721-F723 PolarHBondContact O-N 2.91Å; F723-I725 VanDerWaalsContact C-N 3.33Å; F723-I725 PolarHBondContact O-N 3.2Å; F723-Q726 PolarHBondContact O-N 2.85Å; F723-F727 VanDerWaalsContact O-CB 3.31Å; F723-F727 WeakPolarHBondContact O-CB 3.38Å; F723-F727 PolarHBondContact O-N 3.24Å
724	S	61.7	Low	61.3	Low	35 Å²	35	40 Å²	40	25%	0.245	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-39.3	178.7	-56.1	0	0	0	0	112.2	F660 I720 A721 E722 T728	F660-S724 VanDerWaalsContact CZ-OG 3.26Å; F660-S724 WeakPolarHBondContact CZ-OG 3.02Å; I720-S724 WeakPolarHBondContact O-CB 3.49Å; I720-S724 PolarHBondContact O-N 3.16Å; I720-S724 PolarHBondContact O-OG 3.49Å; A721-S724 WeakPolarHBondContact O-CB 3.36Å; A721-S724 PolarHBondContact O-N 3.22Å; A721-S724 VanDerWaalsContact O-N 3.14Å; E722-S724 VanDerWaalsContact C-N 3.34Å; E722-S724 PolarHBondContact O-N 3.2Å; S724-T728 VanDerWaalsContact O-CB 3.27Å; S724-T728 WeakPolarHBondContact O-CB 3.31Å; S724-T728 PolarHBondContact O-N 3.02Å; S724-T728 PolarHBondContact O-OG1 3.19Å
725	I	55.1	Low	60.5	Low	58 Å²	58	42.1 Å²	42.1	30%	0.297	22%	0.221	S	C	.	.	H	α-helix	trans	-65.8	-50	175	-69.6	163.6	0	0	0	109.4	A721 E722 F723 F727 T728 C729	A721-I725 VanDerWaalsContact O-CG1 3.26Å; A721-I725 WeakPolarHBondContact O-CG1 3.47Å; A721-I725 PolarHBondContact O-N 3.39Å; E722-I725 PolarHBondContact O-N 3.03Å; F723-I725 VanDerWaalsContact C-N 3.33Å; F723-I725 PolarHBondContact O-N 3.2Å; I725-F727 VanDerWaalsContact C-N 3.28Å; I725-F727 PolarHBondContact O-N 3.21Å; I725-T728 PolarHBondContact O-N 3.46Å; I725-C729 VanDerWaalsContact O-CB 3.28Å; I725-C729 WeakPolarHBondContact O-CB 3.4Å; I725-C729 PolarHBondContact O-N 2.84Å; I725-C729 PolarHBondContact O-SG 3.24Å
726	Q	56.1	Low	59.3	Low	24 Å²	24	40.3 Å²	40.3	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-44	177.2	-71.8	179.2	7.1	0	0	111.9	E722 F723 F730 I763	E722-Q726 WeakPolarHBondContact O-CG 3.5Å; E722-Q726 PolarHBondContact O-N 3.09Å; F723-Q726 PolarHBondContact O-N 2.85Å; Q726-F730 WeakPolarHBondContact O-CB 3.39Å; Q726-F730 PolarHBondContact O-N 3.37Å; Q726-I763 HydrophobicContact CG-CD1 3.86Å; Q726-I763 HydrophobicContact CG-CG1 3.95Å
727	F	60.3	Low	58	Low	22 Å²	22	41 Å²	41	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-48.6	178.4	-175.7	-102.1	0	0	0	112.3	W417 L663 Y673 F723 I725 C729 F730 N731	W417-F727 HydrophobicContact CD2-CE2 4.42Å; W417-F727 AromaticContact CD2-CZ 3.92Å; W417-F727 HydrophobicContact CD2-CZ 3.92Å; W417-F727 AromaticContact CE2-CZ 3.91Å; W417-F727 HydrophobicContact CE3-CE2 4.04Å; W417-F727 AromaticContact CE3-CZ 3.81Å; W417-F727 HydrophobicContact CE3-CZ 3.81Å; W417-F727 HydrophobicContact CH2-CD2 4.39Å; W417-F727 AromaticContact CH2-CE2 3.31Å; W417-F727 HydrophobicContact CH2-CE2 3.31Å; W417-F727 AromaticContact CH2-CZ 3.82Å; W417-F727 HydrophobicContact CH2-CZ 3.82Å; W417-F727 AromaticContact CZ2-CE2 3.72Å; W417-F727 HydrophobicContact CZ2-CE2 3.72Å; W417-F727 AromaticContact CZ2-CZ 3.89Å; W417-F727 HydrophobicContact CZ2-CZ 3.89Å; W417-F727 AromaticContact CZ3-CE2 3.44Å; W417-F727 HydrophobicContact CZ3-CE2 3.44Å; W417-F727 VanDerWaalsContact CZ3-CE2 3.44Å; W417-F727 AromaticContact CZ3-CZ 3.73Å; W417-F727 HydrophobicContact CZ3-CZ 3.73Å; L663-F727 HydrophobicContact CD1-CE1 4.19Å; L663-F727 HydrophobicContact CD1-CZ 3.93Å; Y673-F727 HydrophobicContact CD2-CD2 4.24Å; Y673-F727 AromaticContact CD2-CE2 3.98Å; Y673-F727 HydrophobicContact CD2-CE2 3.98Å; Y673-F727 AromaticContact CE2-CD2 3.84Å; Y673-F727 HydrophobicContact CE2-CD2 3.84Å; Y673-F727 AromaticContact CE2-CE2 3.59Å; Y673-F727 HydrophobicContact CE2-CE2 3.59Å; F723-F727 VanDerWaalsContact O-CB 3.31Å; F723-F727 WeakPolarHBondContact O-CB 3.38Å; F723-F727 PolarHBondContact O-N 3.24Å; I725-F727 VanDerWaalsContact C-N 3.28Å; I725-F727 PolarHBondContact O-N 3.21Å; F727-C729 VanDerWaalsContact C-N 3.35Å; F727-C729 PolarHBondContact O-N 3.05Å; F727-F730 WeakPolarHBondContact O-CB 3.45Å; F727-F730 PolarHBondContact O-N 3.11Å; F727-N731 WeakPolarHBondContact CE1-ND2 3.08Å; F727-N731 WeakPolarHBondContact CZ-ND2 3.43Å; F727-N731 PolarHBondContact O-N 3.19Å
728	T	55.1	Low	57	Low	79 Å²	79	40 Å²	40	49%	0.485	21%	0.211	S	C	.	.	H	α-helix	trans	-61	-44.3	176.8	-58	0	0	0	0	111.1	S724 I725 F730 N731 E732	S724-T728 VanDerWaalsContact O-CB 3.27Å; S724-T728 WeakPolarHBondContact O-CB 3.31Å; S724-T728 PolarHBondContact O-N 3.02Å; S724-T728 PolarHBondContact O-OG1 3.19Å; I725-T728 PolarHBondContact O-N 3.46Å; T728-F730 VanDerWaalsContact C-N 3.31Å; T728-F730 PolarHBondContact O-N 3.47Å; T728-N731 PolarHBondContact O-N 3.39Å; T728-E732 WeakPolarHBondContact O-CB 3.45Å; T728-E732 PolarHBondContact O-N 2.68Å
729	C	50.7	Low	56	Low	32 Å²	32	36.5 Å²	36.5	22%	0.216	20%	0.196	C	C	.	.	H	α-helix	trans	-60.2	-41.1	174.9	-72.7	0	0	0	0	112	I725 F727 E732 L733 V762	I725-C729 VanDerWaalsContact O-CB 3.28Å; I725-C729 WeakPolarHBondContact O-CB 3.4Å; I725-C729 PolarHBondContact O-N 2.84Å; I725-C729 PolarHBondContact O-SG 3.24Å; F727-C729 VanDerWaalsContact C-N 3.35Å; F727-C729 PolarHBondContact O-N 3.05Å; C729-E732 PolarHBondContact O-N 3.12Å; C729-L733 WeakPolarHBondContact O-CB 2.91Å; C729-L733 WeakPolarHBondContact O-CG 3.33Å; C729-L733 PolarHBondContact O-N 2.68Å; C729-V762 HydrophobicContact CB-CG2 4.28Å
730	F	58.1	Low	54.4	Low	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-47	176.3	-179.6	-108	0	0	0	112.3	W417 L669 W672 Q726 F727 T728 E732 L733 I734 L752 L755 C756	W417-F730 HydrophobicContact CZ2-CE1 4.44Å; L669-F730 HydrophobicContact CD1-CE1 3.78Å; L669-F730 HydrophobicContact CD1-CZ 4.17Å; L669-F730 HydrophobicContact CD2-CE1 3.88Å; L669-F730 HydrophobicContact CD2-CZ 3.49Å; L669-F730 VanDerWaalsContact CD2-CZ 3.49Å; L669-F730 HydrophobicContact CG-CE1 4.44Å; L669-F730 HydrophobicContact CG-CZ 4.47Å; W672-F730 HydrophobicContact CE3-CD1 4.49Å; W672-F730 HydrophobicContact CE3-CE1 4.22Å; W672-F730 HydrophobicContact CE3-CZ 4.44Å; W672-F730 HydrophobicContact CH2-CB 3.92Å; W672-F730 AromaticContact CH2-CD1 3.71Å; W672-F730 HydrophobicContact CH2-CD1 3.71Å; W672-F730 HydrophobicContact CH2-CD2 4.16Å; W672-F730 HydrophobicContact CH2-CE1 4.23Å; W672-F730 AromaticContact CH2-CG 3.65Å; W672-F730 HydrophobicContact CH2-CG 3.65Å; W672-F730 HydrophobicContact CZ2-CD2 4.47Å; W672-F730 HydrophobicContact CZ2-CG 4.35Å; W672-F730 AromaticContact CZ3-CD1 3.57Å; W672-F730 HydrophobicContact CZ3-CD1 3.57Å; W672-F730 AromaticContact CZ3-CE1 3.7Å; W672-F730 HydrophobicContact CZ3-CE1 3.7Å; W672-F730 AromaticContact CZ3-CG 3.99Å; W672-F730 HydrophobicContact CZ3-CG 3.99Å; W672-F730 HydrophobicContact CZ3-CZ 4.25Å; Q726-F730 WeakPolarHBondContact O-CB 3.39Å; Q726-F730 PolarHBondContact O-N 3.37Å; F727-F730 WeakPolarHBondContact O-CB 3.45Å; F727-F730 PolarHBondContact O-N 3.11Å; T728-F730 VanDerWaalsContact C-N 3.31Å; T728-F730 PolarHBondContact O-N 3.47Å; F730-E732 VanDerWaalsContact C-N 3.32Å; F730-E732 PolarHBondContact O-N 3.41Å; F730-L733 WeakPolarHBondContact O-CB 3.47Å; F730-L733 PolarHBondContact O-N 2.75Å; F730-L733 VanDerWaalsContact O-N 3.15Å; F730-I734 HydrophobicContact CD1-CD1 3.99Å; F730-I734 HydrophobicContact CE1-CD1 3.25Å; F730-I734 HydrophobicContact CE1-CG1 4.19Å; F730-I734 HydrophobicContact CE2-CD1 4.06Å; F730-I734 HydrophobicContact CE2-CG1 4.27Å; F730-I734 HydrophobicContact CZ-CD1 3.31Å; F730-I734 HydrophobicContact CZ-CG1 4Å; F730-I734 PolarHBondContact O-N 3.3Å; F730-L752 HydrophobicContact CZ-CD1 4.35Å; F730-L755 HydrophobicContact CE2-CB 4.05Å; F730-C756 HydrophobicContact CE2-CB 4.37Å; F730-C756 WeakPolarHBondContact CE2-SG 3.37Å
731	N	55.1	Low	53.3	Low	34 Å²	34	42 Å²	42	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-42.5	175.7	-80.1	-26.6	0	0	0	111.8	W417 F727 T728 I734 Y735	W417-N731 PolarHBondContact NE1-OD1 3.48Å; F727-N731 WeakPolarHBondContact CE1-ND2 3.08Å; F727-N731 WeakPolarHBondContact CZ-ND2 3.43Å; F727-N731 PolarHBondContact O-N 3.19Å; T728-N731 PolarHBondContact O-N 3.39Å; N731-I734 PolarHBondContact O-N 3.27Å; N731-Y735 VanDerWaalsContact O-CB 3.24Å; N731-Y735 WeakPolarHBondContact O-CB 3.39Å; N731-Y735 PolarHBondContact O-N 3.3Å
732	E	51.1	Low	52.5	Low	51 Å²	51	43.5 Å²	43.5	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-41.2	173.8	-81.2	-72.1	156.4	0	0	112	R345 T728 C729 F730 Y735 N736	R345-E732 IonicContact NH1-OE2 3.72Å; T728-E732 WeakPolarHBondContact O-CB 3.45Å; T728-E732 PolarHBondContact O-N 2.68Å; C729-E732 PolarHBondContact O-N 3.12Å; F730-E732 VanDerWaalsContact C-N 3.32Å; F730-E732 PolarHBondContact O-N 3.41Å; E732-Y735 PolarHBondContact O-N 3.08Å; E732-N736 WeakPolarHBondContact O-CB 3.48Å; E732-N736 PolarHBondContact O-N 3.09Å; E732-N736 PolarHBondContact O-ND2 2.91Å
733	L	52.6	Low	52.3	Low	42 Å²	42	42.1 Å²	42.1	22%	0.22	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-46.8	176.3	-74.6	166.3	0	0	0	111.5	C729 F730 N736 V737 L755 L758	C729-L733 WeakPolarHBondContact O-CB 2.91Å; C729-L733 WeakPolarHBondContact O-CG 3.33Å; C729-L733 PolarHBondContact O-N 2.68Å; F730-L733 WeakPolarHBondContact O-CB 3.47Å; F730-L733 PolarHBondContact O-N 2.75Å; F730-L733 VanDerWaalsContact O-N 3.15Å; L733-N736 PolarHBondContact O-N 3.15Å; L733-V737 VanDerWaalsContact O-CG2 3.29Å; L733-V737 WeakPolarHBondContact O-CG2 3.04Å; L733-V737 PolarHBondContact O-N 2.83Å; L733-L755 HydrophobicContact CB-CD2 4.34Å; L733-L758 HydrophobicContact CD1-CB 4.44Å; L733-L758 HydrophobicContact CD1-CD2 3.78Å; L733-L758 HydrophobicContact CD2-CD2 3.81Å; L733-L758 HydrophobicContact CG-CD2 4.47Å
734	I	53.7	Low	51.9	Low	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.8	-50.9	174.9	-72.1	-178.3	0	0	0	110.3	L414 L415 L669 F730 N731 N736 V737 I738 L746 L752 L755	L414-I734 HydrophobicContact CB-CD1 4.41Å; L414-I734 HydrophobicContact CB-CG2 4.23Å; L415-I734 HydrophobicContact CD2-CB 4.12Å; L415-I734 HydrophobicContact CD2-CG2 3.62Å; L415-I734 HydrophobicContact CG-CG2 3.8Å; L669-I734 HydrophobicContact CD1-CD1 4.13Å; F730-I734 HydrophobicContact CD1-CD1 3.99Å; F730-I734 HydrophobicContact CE1-CD1 3.25Å; F730-I734 HydrophobicContact CE1-CG1 4.19Å; F730-I734 HydrophobicContact CE2-CD1 4.06Å; F730-I734 HydrophobicContact CE2-CG1 4.27Å; F730-I734 HydrophobicContact CZ-CD1 3.31Å; F730-I734 HydrophobicContact CZ-CG1 4Å; F730-I734 PolarHBondContact O-N 3.3Å; N731-I734 PolarHBondContact O-N 3.27Å; I734-N736 PolarHBondContact O-N 2.92Å; I734-V737 PolarHBondContact O-N 2.67Å; I734-I738 HydrophobicContact CG2-CD1 3.55Å; I734-I738 HydrophobicContact CG2-CG1 4.43Å; I734-I738 WeakPolarHBondContact O-CD1 3.3Å; I734-I738 WeakPolarHBondContact O-CG1 3.45Å; I734-I738 PolarHBondContact O-N 3.03Å; I734-L746 HydrophobicContact CG1-CD2 4.45Å; I734-L746 HydrophobicContact CG2-CD1 4.09Å; I734-L752 HydrophobicContact CD1-CD1 4.45Å; I734-L755 HydrophobicContact CG1-CD1 4.39Å
735	Y	50.1	Low	51.4	Low	90 Å²	90	49.2 Å²	49.2	35%	0.353	25%	0.248	S	C	.	.	H	α-helix	trans	-56.6	-41.8	179.1	-175.2	-106.1	0	0	0	111.5	L415 N731 E732 V737 I738 L739	L415-Y735 HydrophobicContact CD1-CD2 3.67Å; L415-Y735 HydrophobicContact CD1-CG 4.49Å; N731-Y735 VanDerWaalsContact O-CB 3.24Å; N731-Y735 WeakPolarHBondContact O-CB 3.39Å; N731-Y735 PolarHBondContact O-N 3.3Å; E732-Y735 PolarHBondContact O-N 3.08Å; Y735-V737 PolarHBondContact O-N 2.97Å; Y735-I738 PolarHBondContact O-N 3.4Å; Y735-L739 HydrophobicContact CD1-CD1 3.59Å; Y735-L739 HydrophobicContact CD1-CG 4.13Å; Y735-L739 HydrophobicContact CE1-CD1 3.16Å; Y735-L739 HydrophobicContact CE1-CD2 4.38Å; Y735-L739 HydrophobicContact CE1-CG 3.82Å; Y735-L739 HydrophobicContact CE2-CG 4.45Å; Y735-L739 HydrophobicContact CG-CD1 4.48Å; Y735-L739 WeakPolarHBondContact O-CB 3.35Å; Y735-L739 WeakPolarHBondContact O-CG 3.4Å; Y735-L739 PolarHBondContact O-N 2.78Å
736	N	45.2	Very low	51.5	Low	26 Å²	26	46.4 Å²	46.4	14%	0.139	23%	0.234	C	C	.	.	H	α-helix	trans	-65.4	-37.2	176.4	-79.4	-51	0	0	0	113.4	R342 E732 L733 I734 C740	R342-N736 PolarHBondContact NH1-OD1 3.49Å; R342-N736 VanDerWaalsContact NH2-CG 3.31Å; R342-N736 PolarHBondContact NH2-OD1 2.78Å; E732-N736 WeakPolarHBondContact O-CB 3.48Å; E732-N736 PolarHBondContact O-N 3.09Å; E732-N736 PolarHBondContact O-ND2 2.91Å; L733-N736 PolarHBondContact O-N 3.15Å; I734-N736 PolarHBondContact O-N 2.92Å; N736-C740 WeakPolarHBondContact O-CB 3.27Å; N736-C740 PolarHBondContact O-N 2.84Å; N736-C740 PolarHBondContact O-SG 3.46Å
737	V	47.2	Very low	52	Low	17 Å²	17	49.8 Å²	49.8	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-67.6	-42	175.3	172.6	0	0	0	0	110.6	L733 I734 Y735 C740 Y742 L746 F751 L755	L733-V737 VanDerWaalsContact O-CG2 3.29Å; L733-V737 WeakPolarHBondContact O-CG2 3.04Å; L733-V737 PolarHBondContact O-N 2.83Å; I734-V737 PolarHBondContact O-N 2.67Å; Y735-V737 PolarHBondContact O-N 2.97Å; V737-C740 PolarHBondContact O-N 2.84Å; V737-Y742 WeakPolarHBondContact CG1-O 3.46Å; V737-Y742 PolarHBondContact O-N 3.03Å; V737-Y742 VanDerWaalsContact O-N 3.14Å; V737-L746 HydrophobicContact CB-CD1 4.32Å; V737-L746 HydrophobicContact CB-CD2 4.15Å; V737-L746 HydrophobicContact CB-CG 4.3Å; V737-L746 HydrophobicContact CG1-CD1 3.99Å; V737-L746 HydrophobicContact CG1-CD2 3.82Å; V737-L746 HydrophobicContact CG1-CG 3.61Å; V737-F751 HydrophobicContact CG1-CE1 3.88Å; V737-F751 HydrophobicContact CG1-CZ 4.44Å; V737-F751 HydrophobicContact CG2-CE1 3.84Å; V737-F751 HydrophobicContact CG2-CZ 3.92Å; V737-L755 HydrophobicContact CG2-CD1 4.16Å
738	I	47.5	Very low	52.4	Low	32 Å²	32	51 Å²	51	16%	0.164	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-47.1	176.7	-65	155.1	0	0	0	110.8	H412 L415 I734 Y735 C740 D741 L746	H412-I738 HydrophobicContact CB-CD1 3.23Å; H412-I738 HydrophobicContact CB-CG1 3.7Å; H412-I738 HydrophobicContact CB-CG2 4.17Å; L415-I738 HydrophobicContact CD1-CD1 3.35Å; L415-I738 HydrophobicContact CG-CD1 3.68Å; I734-I738 HydrophobicContact CG2-CD1 3.55Å; I734-I738 HydrophobicContact CG2-CG1 4.43Å; I734-I738 WeakPolarHBondContact O-CD1 3.3Å; I734-I738 WeakPolarHBondContact O-CG1 3.45Å; I734-I738 PolarHBondContact O-N 3.03Å; Y735-I738 PolarHBondContact O-N 3.4Å; I738-C740 PolarHBondContact O-N 2.98Å; I738-D741 PolarHBondContact O-N 3.01Å; I738-L746 HydrophobicContact CD1-CD1 4.03Å; I738-L746 HydrophobicContact CG1-CD1 3.47Å; I738-L746 VanDerWaalsContact CG1-CD1 3.47Å
739	L	45.2	Very low	53	Low	50 Å²	50	51.8 Å²	51.8	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-25.9	179.9	-80.9	-178.3	0	0	0	114	K338 Y735 D741	K338-L739 PolarHBondContact NZ-O 3.32Å; Y735-L739 HydrophobicContact CD1-CD1 3.59Å; Y735-L739 HydrophobicContact CD1-CG 4.13Å; Y735-L739 HydrophobicContact CE1-CD1 3.16Å; Y735-L739 HydrophobicContact CE1-CD2 4.38Å; Y735-L739 HydrophobicContact CE1-CG 3.82Å; Y735-L739 HydrophobicContact CE2-CG 4.45Å; Y735-L739 HydrophobicContact CG-CD1 4.48Å; Y735-L739 WeakPolarHBondContact O-CB 3.35Å; Y735-L739 WeakPolarHBondContact O-CG 3.4Å; Y735-L739 PolarHBondContact O-N 2.78Å; L739-D741 VanDerWaalsContact C-N 3.28Å
740	C	39.3	Very low	53.7	Low	31 Å²	31	57 Å²	57	21%	0.209	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	10.9	177.4	-70.7	0	0	0	0	113.3	N736 V737 I738 Y742	N736-C740 WeakPolarHBondContact O-CB 3.27Å; N736-C740 PolarHBondContact O-N 2.84Å; N736-C740 PolarHBondContact O-SG 3.46Å; V737-C740 PolarHBondContact O-N 2.84Å; I738-C740 PolarHBondContact O-N 2.98Å; C740-Y742 HydrophobicContact CB-CD2 3.36Å; C740-Y742 HydrophobicContact CB-CE2 3.73Å; C740-Y742 HydrophobicContact CB-CG 4.43Å; C740-Y742 WeakPolarHBondContact O-CD2 3.38Å; C740-Y742 PolarHBondContact O-N 3.3Å
741	D	45.9	Very low	53.6	Low	121 Å²	121	59.1 Å²	59.1	65%	0.647	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	27.2	-176.5	-60.4	-30.7	0	0	0	113.5	I738 L739 S743	I738-D741 PolarHBondContact O-N 3.01Å; L739-D741 VanDerWaalsContact C-N 3.28Å; D741-S743 VanDerWaalsContact C-N 3.35Å
742	Y	44.9	Very low	53.9	Low	77 Å²	77	57.8 Å²	57.8	30%	0.302	29%	0.291	S	S	.	.			trans	-99.1	28	173.6	-65.6	-64.5	0	0	0	111.6	V737 C740 Y744 M745	V737-Y742 WeakPolarHBondContact CG1-O 3.46Å; V737-Y742 PolarHBondContact O-N 3.03Å; V737-Y742 VanDerWaalsContact O-N 3.14Å; C740-Y742 HydrophobicContact CB-CD2 3.36Å; C740-Y742 HydrophobicContact CB-CE2 3.73Å; C740-Y742 HydrophobicContact CB-CG 4.43Å; C740-Y742 WeakPolarHBondContact O-CD2 3.38Å; C740-Y742 PolarHBondContact O-N 3.3Å; Y742-Y744 AromaticContact CD1-CE1 3.75Å; Y742-Y744 HydrophobicContact CD1-CE1 3.75Å; Y742-Y744 AromaticContact CD1-CZ 3.69Å; Y742-Y744 VanDerWaalsContact CD1-OH 3.27Å; Y742-Y744 WeakPolarHBondContact CD1-OH 3.42Å; Y742-Y744 WeakPolarHBondContact CE1-OH 2.94Å; Y742-Y744 PolarHBondContact O-N 2.86Å; Y742-M745 HydrophobicContact CD1-CG 4.28Å; Y742-M745 HydrophobicContact CD1-SD 3.84Å; Y742-M745 HydrophobicContact CG-SD 4.14Å; Y742-M745 WeakPolarHBondContact O-CA 3.5Å; Y742-M745 WeakPolarHBondContact O-CB 3.45Å; Y742-M745 PolarHBondContact O-N 3.47Å
743	S	55.2	Low	54.3	Low	49 Å²	49	59.8 Å²	59.8	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-52	-39.8	176.5	51.6	0	0	0	0	111.8	D741 M745 L746 D747	D741-S743 VanDerWaalsContact C-N 3.35Å; S743-M745 PolarHBondContact O-N 2.69Å; S743-M745 VanDerWaalsContact O-N 3.09Å; S743-L746 WeakPolarHBondContact O-CA 3.26Å; S743-L746 VanDerWaalsContact O-CB 3.29Å; S743-L746 WeakPolarHBondContact O-CB 3.39Å; S743-L746 PolarHBondContact O-N 2.9Å; S743-D747 PolarHBondContact O-N 2.82Å
744	Y	59.5	Low	54.7	Low	136 Å²	136	63.1 Å²	63.1	53%	0.533	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-22.3	174.9	71.4	-93.4	0	0	0	114.4	Y742 D747	Y742-Y744 AromaticContact CD1-CE1 3.75Å; Y742-Y744 HydrophobicContact CD1-CE1 3.75Å; Y742-Y744 AromaticContact CD1-CZ 3.69Å; Y742-Y744 VanDerWaalsContact CD1-OH 3.27Å; Y742-Y744 WeakPolarHBondContact CD1-OH 3.42Å; Y742-Y744 WeakPolarHBondContact CE1-OH 2.94Å; Y742-Y744 PolarHBondContact O-N 2.86Å; Y744-D747 WeakPolarHBondContact O-CB 3.35Å; Y744-D747 PolarHBondContact O-N 3.18Å
745	M	51.3	Low	54.7	Low	62 Å²	62	63.4 Å²	63.4	31%	0.305	32%	0.318	S	S	.	.	H	α-helix	trans	-78	-30.6	174.2	-63.3	-165.5	72.6	0	0	111.6	Y742 S743 D747 S748 F751	Y742-M745 HydrophobicContact CD1-CG 4.28Å; Y742-M745 HydrophobicContact CD1-SD 3.84Å; Y742-M745 HydrophobicContact CG-SD 4.14Å; Y742-M745 WeakPolarHBondContact O-CA 3.5Å; Y742-M745 WeakPolarHBondContact O-CB 3.45Å; Y742-M745 PolarHBondContact O-N 3.47Å; S743-M745 PolarHBondContact O-N 2.69Å; S743-M745 VanDerWaalsContact O-N 3.09Å; M745-D747 PolarHBondContact O-N 2.81Å; M745-S748 WeakPolarHBondContact O-CB 3.33Å; M745-S748 PolarHBondContact O-N 2.95Å; M745-F751 HydrophobicContact CB-CD1 3.81Å; M745-F751 HydrophobicContact CB-CE1 3.97Å; M745-F751 HydrophobicContact CB-CG 4.19Å; M745-F751 HydrophobicContact CB-CZ 4.48Å; M745-F751 HydrophobicContact CE-CD2 3.8Å; M745-F751 HydrophobicContact CE-CE2 3.87Å; M745-F751 HydrophobicContact CE-CG 4.31Å; M745-F751 HydrophobicContact CE-CZ 4.44Å; M745-F751 WeakPolarHBondContact O-CB 3.02Å; M745-F751 WeakPolarHBondContact O-CD1 3.5Å
746	L	56.9	Low	55.2	Low	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-19.4	171.7	-61.5	172.5	0	0	0	111.7	L414 R668 I734 V737 I738 S743 S748 F751 L752 L755	L414-L746 HydrophobicContact CD1-CB 3.63Å; L414-L746 HydrophobicContact CD1-CD1 4.14Å; L414-L746 HydrophobicContact CD1-CD2 4.38Å; L414-L746 HydrophobicContact CD1-CG 4.26Å; R668-L746 PolarHBondContact NH1-O 2.65Å; R668-L746 PolarHBondContact NH2-O 2.68Å; I734-L746 HydrophobicContact CG1-CD2 4.45Å; I734-L746 HydrophobicContact CG2-CD1 4.09Å; V737-L746 HydrophobicContact CB-CD1 4.32Å; V737-L746 HydrophobicContact CB-CD2 4.15Å; V737-L746 HydrophobicContact CB-CG 4.3Å; V737-L746 HydrophobicContact CG1-CD1 3.99Å; V737-L746 HydrophobicContact CG1-CD2 3.82Å; V737-L746 HydrophobicContact CG1-CG 3.61Å; I738-L746 HydrophobicContact CD1-CD1 4.03Å; I738-L746 HydrophobicContact CG1-CD1 3.47Å; I738-L746 VanDerWaalsContact CG1-CD1 3.47Å; S743-L746 WeakPolarHBondContact O-CA 3.26Å; S743-L746 VanDerWaalsContact O-CB 3.29Å; S743-L746 WeakPolarHBondContact O-CB 3.39Å; S743-L746 PolarHBondContact O-N 2.9Å; L746-S748 PolarHBondContact O-N 3.05Å; L746-F751 HydrophobicContact CD2-CD1 4.33Å; L746-F751 HydrophobicContact CD2-CE1 4.18Å; L746-L752 HydrophobicContact CD2-CD1 4.32Å; L746-L755 HydrophobicContact CD2-CD1 3.69Å
747	D	66.7	Low	55.7	Low	94 Å²	94	64.6 Å²	64.6	50%	0.503	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.4	169.5	-63.5	-35.6	0	0	0	113.7	R668 S743 Y744 M745	R668-D747 IonicContact NH1-OD1 3.01Å; R668-D747 PolarHBondContact NH2-O 2.94Å; S743-D747 PolarHBondContact O-N 2.82Å; Y744-D747 WeakPolarHBondContact O-CB 3.35Å; Y744-D747 PolarHBondContact O-N 3.18Å; M745-D747 PolarHBondContact O-N 2.81Å
748	S	69.3	Low	55.8	Low	48 Å²	48	67 Å²	67	34%	0.336	34%	0.337	S	S	.	.			trans	-89.9	117.6	173.8	-175.5	0	0	0	0	111.9	M745 L746 I750 F751 L752	M745-S748 WeakPolarHBondContact O-CB 3.33Å; M745-S748 PolarHBondContact O-N 2.95Å; L746-S748 PolarHBondContact O-N 3.05Å; S748-I750 PolarHBondContact O-N 3.33Å; S748-I750 PolarHBondContact OG-N 3Å; S748-F751 PolarHBondContact O-N 2.84Å; S748-F751 VanDerWaalsContact O-N 3.11Å; S748-L752 PolarHBondContact O-N 3.47Å
749	D	68.1	Low	56.2	Low	96 Å²	96	65.5 Å²	65.5	51%	0.513	33%	0.329	S	S	.	.	H	α-helix	trans	-59.8	-27.8	173.3	-69.6	-23	0	0	0	112.5	R668 N753	R668-D749 IonicContact CZ-OD1 3.72Å; R668-D749 IonicContact NE-OD1 2.81Å; R668-D749 PolarHBondContact NE-OD1 3.3Å; R668-D749 IonicContact NH2-OD1 3.58Å; R668-D749 PolarHBondContact NH2-OD1 3.43Å; D749-N753 WeakPolarHBondContact O-CB 3.05Å; D749-N753 PolarHBondContact O-N 3.12Å; D749-N753 PolarHBondContact O-ND2 2.51Å
750	I	64.1	Low	56.7	Low	142 Å²	142	65.8 Å²	65.8	73%	0.728	33%	0.33	S	S	*	.	H	α-helix	trans	-66.7	-45.6	176.8	-61.5	171.8	0	0	0	110.1	S748 F754	S748-I750 PolarHBondContact O-N 3.33Å; S748-I750 PolarHBondContact OG-N 3Å; I750-F754 PolarHBondContact O-N 3.46Å
751	F	56.1	Low	57.1	Low	43 Å²	43	69.5 Å²	69.5	19%	0.189	34%	0.344	C	S	.	.	H	α-helix	trans	-71.2	-40.8	179.6	-176.2	-103.1	0	0	0	111.6	V737 M745 L746 S748 N753 F754 L755	V737-F751 HydrophobicContact CG1-CE1 3.88Å; V737-F751 HydrophobicContact CG1-CZ 4.44Å; V737-F751 HydrophobicContact CG2-CE1 3.84Å; V737-F751 HydrophobicContact CG2-CZ 3.92Å; M745-F751 HydrophobicContact CB-CD1 3.81Å; M745-F751 HydrophobicContact CB-CE1 3.97Å; M745-F751 HydrophobicContact CB-CG 4.19Å; M745-F751 HydrophobicContact CB-CZ 4.48Å; M745-F751 HydrophobicContact CE-CD2 3.8Å; M745-F751 HydrophobicContact CE-CE2 3.87Å; M745-F751 HydrophobicContact CE-CG 4.31Å; M745-F751 HydrophobicContact CE-CZ 4.44Å; M745-F751 WeakPolarHBondContact O-CB 3.02Å; M745-F751 WeakPolarHBondContact O-CD1 3.5Å; L746-F751 HydrophobicContact CD2-CD1 4.33Å; L746-F751 HydrophobicContact CD2-CE1 4.18Å; S748-F751 PolarHBondContact O-N 2.84Å; S748-F751 VanDerWaalsContact O-N 3.11Å; F751-N753 VanDerWaalsContact C-N 3.35Å; F751-N753 PolarHBondContact O-N 3.3Å; F751-F754 HydrophobicContact CD2-CD1 4.48Å; F751-F754 HydrophobicContact CE2-CD1 4.4Å; F751-F754 WeakPolarHBondContact O-CA 3.44Å; F751-F754 WeakPolarHBondContact O-CB 3.17Å; F751-F754 PolarHBondContact O-N 3.48Å; F751-F754 VanDerWaalsContact O-N 3.07Å; F751-L755 HydrophobicContact CD1-CD1 4.16Å; F751-L755 HydrophobicContact CD1-CG 4.34Å; F751-L755 HydrophobicContact CE1-CD1 3.7Å; F751-L755 HydrophobicContact CE1-CD2 4.25Å; F751-L755 HydrophobicContact CE1-CG 3.97Å; F751-L755 HydrophobicContact CZ-CD1 4.36Å; F751-L755 HydrophobicContact CZ-CD2 4.08Å; F751-L755 HydrophobicContact CZ-CG 4.26Å; F751-L755 PolarHBondContact O-N 3.42Å
752	L	61.6	Low	57.1	Low	6 Å²	6	65.2 Å²	65.2	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-45.4	174.1	-165.4	63.5	0	0	0	111.2	L414 R668 L669 F730 I734 L746 S748 F754 L755 C756	L414-L752 HydrophobicContact CD1-CD1 4.24Å; R668-L752 HydrophobicContact CB-CD2 4.08Å; L669-L752 HydrophobicContact CD2-CD1 3.95Å; L669-L752 HydrophobicContact CD2-CD2 3.7Å; L669-L752 HydrophobicContact CD2-CG 3.87Å; L669-L752 HydrophobicContact CG-CD2 4.41Å; F730-L752 HydrophobicContact CZ-CD1 4.35Å; I734-L752 HydrophobicContact CD1-CD1 4.45Å; L746-L752 HydrophobicContact CD2-CD1 4.32Å; S748-L752 PolarHBondContact O-N 3.47Å; L752-F754 VanDerWaalsContact C-N 3.26Å; L752-F754 PolarHBondContact O-N 3.21Å; L752-L755 PolarHBondContact O-N 3.14Å; L752-C756 PolarHBondContact O-N 3.01Å; L752-C756 PolarHBondContact O-SG 3.05Å
753	N	59.8	Low	56.8	Low	93 Å²	93	62.4 Å²	62.4	50%	0.497	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-33.5	173.3	-81.8	-47.7	0	0	0	112.9	D749 F751 K757	D749-N753 WeakPolarHBondContact O-CB 3.05Å; D749-N753 PolarHBondContact O-N 3.12Å; D749-N753 PolarHBondContact O-ND2 2.51Å; F751-N753 VanDerWaalsContact C-N 3.35Å; F751-N753 PolarHBondContact O-N 3.3Å; N753-K757 VanDerWaalsContact O-CG 3.32Å; N753-K757 WeakPolarHBondContact O-CG 3.47Å; N753-K757 PolarHBondContact O-N 3.47Å
754	F	61.4	Low	55.7	Low	113 Å²	113	65 Å²	65	50%	0.496	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-46.1	173.5	169.6	-98.2	0	0	0	111.6	I750 F751 L752 C756 K757 L758	I750-F754 PolarHBondContact O-N 3.46Å; F751-F754 HydrophobicContact CD2-CD1 4.48Å; F751-F754 HydrophobicContact CE2-CD1 4.4Å; F751-F754 WeakPolarHBondContact O-CA 3.44Å; F751-F754 WeakPolarHBondContact O-CB 3.17Å; F751-F754 PolarHBondContact O-N 3.48Å; F751-F754 VanDerWaalsContact O-N 3.07Å; L752-F754 VanDerWaalsContact C-N 3.26Å; L752-F754 PolarHBondContact O-N 3.21Å; F754-C756 VanDerWaalsContact C-N 3.34Å; F754-C756 PolarHBondContact O-N 3.18Å; F754-K757 PolarHBondContact O-N 2.86Å; F754-L758 HydrophobicContact CZ-CD1 4.13Å; F754-L758 WeakPolarHBondContact O-CB 2.94Å; F754-L758 PolarHBondContact O-N 2.93Å
755	L	52.7	Low	54.3	Low	6 Å²	6	63.1 Å²	63.1	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-43.4	175.2	-65.3	-178.8	0	0	0	111.9	F730 L733 I734 V737 L746 F751 L752 K757 L758 S759	F730-L755 HydrophobicContact CE2-CB 4.05Å; L733-L755 HydrophobicContact CB-CD2 4.34Å; I734-L755 HydrophobicContact CG1-CD1 4.39Å; V737-L755 HydrophobicContact CG2-CD1 4.16Å; L746-L755 HydrophobicContact CD2-CD1 3.69Å; F751-L755 HydrophobicContact CD1-CD1 4.16Å; F751-L755 HydrophobicContact CD1-CG 4.34Å; F751-L755 HydrophobicContact CE1-CD1 3.7Å; F751-L755 HydrophobicContact CE1-CD2 4.25Å; F751-L755 HydrophobicContact CE1-CG 3.97Å; F751-L755 HydrophobicContact CZ-CD1 4.36Å; F751-L755 HydrophobicContact CZ-CD2 4.08Å; F751-L755 HydrophobicContact CZ-CG 4.26Å; F751-L755 PolarHBondContact O-N 3.42Å; L752-L755 PolarHBondContact O-N 3.14Å; L755-K757 VanDerWaalsContact C-N 3.32Å; L755-K757 PolarHBondContact O-N 3.16Å; L755-L758 WeakPolarHBondContact O-CB 3.33Å; L755-L758 PolarHBondContact O-N 2.83Å; L755-L758 VanDerWaalsContact O-N 3.16Å; L755-S759 PolarHBondContact O-N 3.04Å; L755-S759 PolarHBondContact O-OG 2.77Å
756	C	60.9	Low	53.3	Low	4 Å²	4	62.3 Å²	62.3	3%	0.027	32%	0.316	C	S	.	.	H	α-helix	trans	-60	-39.4	174.4	-70.1	0	0	0	0	112.3	W672 F730 L752 F754 S759 N760	W672-C756 HydrophobicContact CD2-CB 4.14Å; W672-C756 HydrophobicContact CG-CB 3.93Å; F730-C756 HydrophobicContact CE2-CB 4.37Å; F730-C756 WeakPolarHBondContact CE2-SG 3.37Å; L752-C756 PolarHBondContact O-N 3.01Å; L752-C756 PolarHBondContact O-SG 3.05Å; F754-C756 VanDerWaalsContact C-N 3.34Å; F754-C756 PolarHBondContact O-N 3.18Å; C756-S759 PolarHBondContact O-OG 2.87Å; C756-N760 PolarHBondContact O-N 2.93Å; C756-N760 PolarHBondContact O-ND2 2.84Å; C756-N760 PolarHBondContact O-OD1 3.49Å
757	K	56.9	Low	51.9	Low	137 Å²	137	68.4 Å²	68.4	60%	0.596	35%	0.349	S	S	*	.	H	α-helix	trans	-69.4	-38.4	174.2	-75.7	175.5	-178.8	-178.6	0	111.6	N753 F754 L755 N760 H761	N753-K757 VanDerWaalsContact O-CG 3.32Å; N753-K757 WeakPolarHBondContact O-CG 3.47Å; N753-K757 PolarHBondContact O-N 3.47Å; F754-K757 PolarHBondContact O-N 2.86Å; L755-K757 VanDerWaalsContact C-N 3.32Å; L755-K757 PolarHBondContact O-N 3.16Å; K757-N760 WeakPolarHBondContact O-CB 3.43Å; K757-N760 PolarHBondContact O-N 2.79Å; K757-H761 PolarHBondContact O-CD2 3.16Å; K757-H761 PolarHBondContact O-N 2.73Å
758	L	49	Very low	50	Low	68 Å²	68	69.9 Å²	69.9	36%	0.356	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-46.4	179.4	-162.1	89.1	0	0	0	111.1	L733 F754 L755 N760 H761 V762	L733-L758 HydrophobicContact CD1-CB 4.44Å; L733-L758 HydrophobicContact CD1-CD2 3.78Å; L733-L758 HydrophobicContact CD2-CD2 3.81Å; L733-L758 HydrophobicContact CG-CD2 4.47Å; F754-L758 HydrophobicContact CZ-CD1 4.13Å; F754-L758 WeakPolarHBondContact O-CB 2.94Å; F754-L758 PolarHBondContact O-N 2.93Å; L755-L758 WeakPolarHBondContact O-CB 3.33Å; L755-L758 PolarHBondContact O-N 2.83Å; L755-L758 VanDerWaalsContact O-N 3.16Å; L758-N760 VanDerWaalsContact C-N 3.3Å; L758-N760 PolarHBondContact O-N 2.77Å; L758-H761 PolarHBondContact O-N 2.85Å; L758-V762 PolarHBondContact O-N 3.17Å
759	S	54.5	Low	48.3	Very low	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-40.4	177.4	56.1	0	0	0	0	111.9	L755 C756 H761 V762	L755-S759 PolarHBondContact O-N 3.04Å; L755-S759 PolarHBondContact O-OG 2.77Å; C756-S759 PolarHBondContact O-OG 2.87Å; S759-H761 PolarHBondContact O-N 2.88Å; S759-V762 PolarHBondContact O-N 2.68Å
760	N	55.9	Low	46.4	Very low	55 Å²	55	70.3 Å²	70.3	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-25.4	175.7	-59.8	-2.3	0	0	0	113.4	W672 M676 C756 K757 L758	W672-N760 PolarHBondContact NE1-OD1 2.83Å; M676-N760 HydrophobicContact CE-CB 3.99Å; M676-N760 WeakPolarHBondContact CE-OD1 3.42Å; C756-N760 PolarHBondContact O-N 2.93Å; C756-N760 PolarHBondContact O-ND2 2.84Å; C756-N760 PolarHBondContact O-OD1 3.49Å; K757-N760 WeakPolarHBondContact O-CB 3.43Å; K757-N760 PolarHBondContact O-N 2.79Å; L758-N760 VanDerWaalsContact C-N 3.3Å; L758-N760 PolarHBondContact O-N 2.77Å
761	H	49.3	Very low	44.7	Very low	109 Å²	109	66.6 Å²	66.6	51%	0.505	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.3	-178.9	-71.5	-57.8	0	0	0	113.8	K757 L758 S759 I763 L764 L765	K757-H761 PolarHBondContact O-CD2 3.16Å; K757-H761 PolarHBondContact O-N 2.73Å; L758-H761 PolarHBondContact O-N 2.85Å; S759-H761 PolarHBondContact O-N 2.88Å; H761-I763 VanDerWaalsContact C-N 3.33Å; H761-I763 PolarHBondContact O-N 2.86Å; H761-L764 WeakPolarHBondContact O-CA 3.49Å; H761-L764 VanDerWaalsContact O-CB 3.24Å; H761-L764 WeakPolarHBondContact O-CB 3.01Å; H761-L764 PolarHBondContact O-N 2.93Å; H761-L765 PolarHBondContact O-N 3.21Å
762	V	45.9	Very low	43.2	Very low	31 Å²	31	72.8 Å²	72.8	19%	0.188	39%	0.387	C	S	.	.	H	α-helix	trans	-63.8	-37.1	-178.8	175.6	0	0	0	0	112	C729 L758 S759 L764 L765 E766	C729-V762 HydrophobicContact CB-CG2 4.28Å; L758-V762 PolarHBondContact O-N 3.17Å; S759-V762 PolarHBondContact O-N 2.68Å; V762-L764 PolarHBondContact O-N 3.33Å; V762-L765 CarbonylContact O-C 3.5Å; V762-L765 WeakPolarHBondContact O-CA 3.2Å; V762-L765 VanDerWaalsContact O-CB 3.31Å; V762-L765 WeakPolarHBondContact O-CB 3.22Å; V762-L765 PolarHBondContact O-N 3.1Å; V762-E766 PolarHBondContact O-N 3.35Å
763	I	38.5	Very low	41.6	Very low	19 Å²	19	75.5 Å²	75.5	10%	0.097	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-31	175.3	-56.3	-173.5	0	0	0	111.1	E722 Q726 H761 L765 E766 N767	E722-I763 HydrophobicContact CB-CD1 3.44Å; E722-I763 VanDerWaalsContact CB-CD1 3.44Å; E722-I763 HydrophobicContact CG-CD1 3.64Å; Q726-I763 HydrophobicContact CG-CD1 3.86Å; Q726-I763 HydrophobicContact CG-CG1 3.95Å; H761-I763 VanDerWaalsContact C-N 3.33Å; H761-I763 PolarHBondContact O-N 2.86Å; I763-L765 VanDerWaalsContact C-N 3.31Å; I763-E766 PolarHBondContact O-N 3.34Å; I763-N767 WeakPolarHBondContact O-CB 3.4Å; I763-N767 PolarHBondContact O-N 3.04Å
764	L	31.8	Very low	39.9	Very low	103 Å²	103	74.7 Å²	74.7	54%	0.539	40%	0.403	S	S	.	.	H	α-helix	trans	-69.2	-32.7	174	-138.1	150.3	0	0	0	110.8	H761 V762 I768	H761-L764 WeakPolarHBondContact O-CA 3.49Å; H761-L764 VanDerWaalsContact O-CB 3.24Å; H761-L764 WeakPolarHBondContact O-CB 3.01Å; H761-L764 PolarHBondContact O-N 2.93Å; V762-L764 PolarHBondContact O-N 3.33Å; L764-I768 HydrophobicContact CD2-CD1 3.65Å; L764-I768 HydrophobicContact CD2-CG1 4.39Å; L764-I768 WeakPolarHBondContact O-CB 3.44Å; L764-I768 WeakPolarHBondContact O-CD1 3.41Å; L764-I768 WeakPolarHBondContact O-CG1 3.22Å; L764-I768 PolarHBondContact O-N 3.23Å; L764-I768 VanDerWaalsContact O-N 3.16Å
765	L	28.7	Very low	38.2	Very low	97 Å²	97	77.1 Å²	77.1	51%	0.508	41%	0.409	S	S	.	.	H	α-helix	trans	-70.9	-40.1	171.5	-75.1	158.2	0	0	0	111.9	H761 V762 I763 I768 T769	H761-L765 PolarHBondContact O-N 3.21Å; V762-L765 CarbonylContact O-C 3.5Å; V762-L765 WeakPolarHBondContact O-CA 3.2Å; V762-L765 VanDerWaalsContact O-CB 3.31Å; V762-L765 WeakPolarHBondContact O-CB 3.22Å; V762-L765 PolarHBondContact O-N 3.1Å; I763-L765 VanDerWaalsContact C-N 3.31Å; L765-I768 PolarHBondContact O-N 2.67Å; L765-T769 WeakPolarHBondContact O-CB 3.29Å; L765-T769 WeakPolarHBondContact O-CG2 3.46Å; L765-T769 PolarHBondContact O-N 3.37Å; L765-T769 PolarHBondContact O-OG1 3.47Å
766	E	30.2	Very low	36.9	Very low	44 Å²	44	79.5 Å²	79.5	21%	0.206	43%	0.427	C	S	.	.	H	α-helix	trans	-70.4	-37.4	179.5	-154.4	166.3	-156.1	0	0	112.3	V762 I763 I768 T769 G770	V762-E766 PolarHBondContact O-N 3.35Å; I763-E766 PolarHBondContact O-N 3.34Å; E766-I768 VanDerWaalsContact C-N 3.3Å; E766-I768 PolarHBondContact O-N 3.41Å; E766-T769 PolarHBondContact O-N 3.25Å; E766-G770 WeakPolarHBondContact O-CA 3.29Å; E766-G770 PolarHBondContact O-N 3.27Å
767	N	28.5	Very low	35.2	Very low	128 Å²	128	84.1 Å²	84.1	68%	0.684	46%	0.457	S	S	*	.	H	α-helix	trans	-70.4	-24.1	170.4	-78.8	-27.4	0	0	0	113.1	I763	I763-N767 WeakPolarHBondContact O-CB 3.4Å; I763-N767 PolarHBondContact O-N 3.04Å
768	I	27.3	Very low	33.7	Very low	125 Å²	125	81.7 Å²	81.7	64%	0.641	46%	0.457	S	S	*	.	H	α-helix	trans	-79.9	-32.2	172.2	-72.7	167.9	0	0	0	111.3	L764 L765 E766	L764-I768 HydrophobicContact CD2-CD1 3.65Å; L764-I768 HydrophobicContact CD2-CG1 4.39Å; L764-I768 WeakPolarHBondContact O-CB 3.44Å; L764-I768 WeakPolarHBondContact O-CD1 3.41Å; L764-I768 WeakPolarHBondContact O-CG1 3.22Å; L764-I768 PolarHBondContact O-N 3.23Å; L764-I768 VanDerWaalsContact O-N 3.16Å; L765-I768 PolarHBondContact O-N 2.67Å; E766-I768 VanDerWaalsContact C-N 3.3Å; E766-I768 PolarHBondContact O-N 3.41Å
769	T	32.9	Very low	32.6	Very low	85 Å²	85	83.9 Å²	83.9	52%	0.521	47%	0.468	S	S	.	.	H	α-helix	trans	-102.6	-17.1	-173.7	60.4	0	0	0	0	115.1	L765 E766 Q771	L765-T769 WeakPolarHBondContact O-CB 3.29Å; L765-T769 WeakPolarHBondContact O-CG2 3.46Å; L765-T769 PolarHBondContact O-N 3.37Å; L765-T769 PolarHBondContact O-OG1 3.47Å; E766-T769 PolarHBondContact O-N 3.25Å; T769-Q771 PolarHBondContact O-N 2.69Å
770	G	28.2	Very low	31.6	Very low	69 Å²	69	85.5 Å²	85.5	71%	0.711	49%	0.485	S	S	*	.			trans	67.4	25.2	168.2	0	0	0	0	0	116.8	E766	E766-G770 WeakPolarHBondContact O-CA 3.29Å; E766-G770 PolarHBondContact O-N 3.27Å
771	Q	28.8	Very low	30.7	Very low	64 Å²	64	83.7 Å²	83.7	30%	0.299	48%	0.48	S	S	.	.			trans	-128.2	119.8	-175	-68.9	175.6	14.1	0	0	113.2	C353 T769 N773	C353-Q771 PolarHBondContact SG-NE2 2.99Å; T769-Q771 PolarHBondContact O-N 2.69Å; Q771-N773 PolarHBondContact O-N 2.97Å
772	L	24.7	Very low	30.2	Very low	172 Å²	172	78.9 Å²	78.9	90%	0.901	46%	0.457	S	S	*	.			trans	-71.4	105.2	170.4	-85.1	119	0	0	0	110.5	S774	L772-S774 PolarHBondContact O-N 3.39Å
773	N	27.7	Very low	30.1	Very low	63 Å²	63	78.4 Å²	78.4	34%	0.337	45%	0.453	S	S	.	.			trans	-81	107.3	-178.7	-74.4	-56.5	0	0	0	111.7	Q771 W775	Q771-N773 PolarHBondContact O-N 2.97Å; N773-W775 VanDerWaalsContact O-CD1 3.31Å
774	S	24.9	Very low	30.5	Very low	76 Å²	76	80.8 Å²	80.8	53%	0.531	47%	0.471	S	S	.	.			trans	-85.2	121.7	165.3	49.2	0	0	0	0	110.2	K352 L772	K352-S774 WeakPolarHBondContact CE-O 3.05Å; K352-S774 PolarHBondContact NZ-O 3.14Å; K352-S774 PolarHBondContact NZ-OG 3.48Å; L772-S774 PolarHBondContact O-N 3.39Å
775	W	24.1	Very low	31.1	Very low	165 Å²	165	79.2 Å²	79.2	63%	0.625	46%	0.463	S	S	*	.			trans	-93.4	132.8	-176.2	-72.6	56.1	0	0	0	110.3	N773	N773-W775 VanDerWaalsContact O-CD1 3.31Å
776	S	25.7	Very low	31.6	Very low	56 Å²	56	79.2 Å²	79.2	39%	0.392	47%	0.469	S	S	.	.			trans	-144.3	149.3	162.6	67.9	0	0	0	0	111	K348	K348-S776 WeakPolarHBondContact CD-O 3.41Å; K348-S776 WeakPolarHBondContact CE-O 3.49Å; K348-S776 WeakPolarHBondContact CE-OG 3.39Å; K348-S776 VanDerWaalsContact NZ-C 3.34Å; K348-S776 PolarHBondContact NZ-O 3.5Å; K348-S776 PolarHBondContact NZ-OG 2.7Å
777	P	24.8	Very low	31.9	Very low	101 Å²	101	81.5 Å²	81.5	66%	0.656	48%	0.483	S	S	*	.			trans	-116.5	93.4	-167.6	32.7	-14.1	0	0	0	111.3
778	S	26.7	Very low	32	Very low	86 Å²	86	78.9 Å²	78.9	60%	0.601	47%	0.472	S	S	*	.			trans	-168.3	127.1	165.8	51.5	0	0	0	0	108.8
779	L	25.8	Very low	32	Very low	113 Å²	113	79.1 Å²	79.1	59%	0.592	48%	0.479	S	S	*	.			trans	169	117.4	151.8	-90.2	155.3	0	0	0	106.4	Q344	Q344-L779 PolarHBondContact NE2-O 2.77Å; Q344-L779 PolarHBondContact OE1-O 2.92Å
780	G	32.6	Very low	31.7	Very low	34 Å²	34	80.9 Å²	80.9	35%	0.351	49%	0.49	S	S	.	.			trans	-65	154.7	175.3	0	0	0	0	0	111.8	Q344 W782	Q344-G780 PolarHBondContact NE2-O 2.76Å; G780-W782 PolarHBondContact O-N 3.41Å; G780-W782 VanDerWaalsContact O-O 3.06Å
781	G	38.7	Very low	31.4	Very low	18 Å²	18	84 Å²	84	19%	0.186	50%	0.495	C	S	.	.	S	Bend	trans	-37.1	4.4	-158	0	0	0	0	0	123.5	Q344	Q344-G781 VanDerWaalsContact NE2-N 3.19Å
782	W	38.6	Very low	31.2	Very low	7 Å²	7	85.7 Å²	85.7	3%	0.027	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	141.9	166.6	-70.5	87.1	0	0	0	111.3	F109 N295 A297 Q326 L327 Q328 Q344 G780	F109-W782 HydrophobicContact CB-CZ2 4Å; F109-W782 VanDerWaalsContact CB-NE1 3.27Å; F109-W782 PolarHBondContact O-NE1 2.87Å; N295-W782 HydrophobicContact CB-CH2 4.12Å; A297-W782 HydrophobicContact CB-CE3 4.1Å; A297-W782 HydrophobicContact CB-CH2 3.72Å; A297-W782 HydrophobicContact CB-CZ3 3.36Å; Q326-W782 HydrophobicContact CB-CB 4.24Å; Q326-W782 HydrophobicContact CB-CD2 4.26Å; Q326-W782 HydrophobicContact CB-CE3 3.55Å; Q326-W782 HydrophobicContact CB-CZ3 4.32Å; L327-W782 CarbonylContact O-C 3.55Å; L327-W782 WeakPolarHBondContact O-CA 3.4Å; Q328-W782 HydrophobicContact CB-CD2 3.52Å; Q328-W782 HydrophobicContact CB-CE3 3.4Å; Q328-W782 VanDerWaalsContact CB-CE3 3.4Å; Q328-W782 HydrophobicContact CB-CG 4.3Å; Q328-W782 HydrophobicContact CB-CH2 3.52Å; Q328-W782 HydrophobicContact CB-CZ2 3.62Å; Q328-W782 HydrophobicContact CB-CZ3 3.39Å; Q328-W782 VanDerWaalsContact CD-CE2 3.46Å; Q328-W782 HydrophobicContact CG-CD2 4.35Å; Q328-W782 HydrophobicContact CG-CH2 4.36Å; Q328-W782 HydrophobicContact CG-CZ2 4.06Å; Q344-W782 PolarHBondContact NE2-O 2.89Å; G780-W782 PolarHBondContact O-N 3.41Å; G780-W782 VanDerWaalsContact O-O 3.06Å
783	I	44	Very low	31.1	Very low	21 Å²	21	83.8 Å²	83.8	11%	0.108	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.1	179.1	-61.4	169.2	0	0	0	108.4	Q326 L327 I343 Q344 F347	Q326-I783 CarbonylContact C-O 3.56Å; Q326-I783 WeakPolarHBondContact CA-O 3.41Å; L327-I783 HydrophobicContact CB-CB 4.49Å; L327-I783 PolarHBondContact N-O 2.94Å; L327-I783 PolarHBondContact O-N 3.37Å; I343-I783 HydrophobicContact CB-CD1 4.3Å; I343-I783 HydrophobicContact CG2-CD1 3.49Å; I343-I783 VanDerWaalsContact CG2-CD1 3.49Å; Q344-I783 HydrophobicContact CB-CG1 4.5Å; Q344-I783 HydrophobicContact CG-CD1 3.95Å; Q344-I783 HydrophobicContact CG-CG1 3.53Å; F347-I783 HydrophobicContact CB-CD1 4.41Å; F347-I783 HydrophobicContact CB-CG2 4Å; F347-I783 HydrophobicContact CD1-CG2 4.45Å; F347-I783 HydrophobicContact CD2-CD1 3.53Å; F347-I783 HydrophobicContact CD2-CG2 4.37Å; F347-I783 HydrophobicContact CE2-CD1 4.03Å; F347-I783 HydrophobicContact CG-CD1 4.2Å; F347-I783 HydrophobicContact CG-CG2 4.04Å
784	S	46	Very low	30.9	Very low	69 Å²	69	85 Å²	85	48%	0.483	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.8	174.7	-174.2	0	0	0	0	111.2	C325	C325-S784 WeakPolarHBondContact O-CA 3.43Å
785	L	43.3	Very low	30.8	Very low	71 Å²	71	87.3 Å²	87.3	37%	0.372	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	107.4	170.2	-68.4	161.7	0	0	0	107.7	L296 C325	L296-L785 HydrophobicContact CD1-CD1 4.22Å; C325-L785 HydrophobicContact CB-CB 3.85Å; C325-L785 HydrophobicContact CB-CD1 4.01Å; C325-L785 HydrophobicContact CB-CG 4.5Å; C325-L785 PolarHBondContact O-N 3.05Å
786	P	41.1	Very low	30.8	Very low	97 Å²	97	86.3 Å²	86.3	63%	0.63	56%	0.558	S	S	*	*			trans	-69.2	143.8	-179.5	25.8	-31.7	0	0	0	112.2
787	N	34.8	Very low	30.7	Very low	91 Å²	91	90.3 Å²	90.3	49%	0.487	58%	0.58	S	S	.	*			trans	-102.3	71.4	175.4	-76.7	-21.6	0	0	0	110.2	A322 P323 T789	A322-N787 PolarHBondContact O-ND2 2.91Å; P323-N787 PolarHBondContact O-ND2 3.03Å; N787-T789 PolarHBondContact O-N 3.26Å; N787-T789 VanDerWaalsContact O-N 3.09Å
788	T	32	Very low	30.7	Very low	74 Å²	74	93.2 Å²	93.2	45%	0.454	59%	0.589	S	S	.	*			trans	-78.4	94.3	172.8	40	0	0	0	0	109.9
789	T	26.4	Very low	30.6	Very low	130 Å²	130	93.4 Å²	93.4	80%	0.798	60%	0.595	S	S	*	*			trans	-99.2	68.7	160.5	39.5	0	0	0	0	108.1	N787 T791	N787-T789 PolarHBondContact O-N 3.26Å; N787-T789 VanDerWaalsContact O-N 3.09Å; T789-T791 PolarHBondContact O-N 3.06Å; T789-T791 VanDerWaalsContact O-N 3.09Å
790	T	26.5	Very low	30.6	Very low	122 Å²	122	95.2 Å²	95.2	75%	0.748	61%	0.605	S	S	*	*			trans	-69.5	107.8	174.9	19.8	0	0	0	0	109.5	A792	T790-A792 PolarHBondContact O-N 3.5Å
791	T	23.4	Very low	30.2	Very low	133 Å²	133	97.5 Å²	97.5	82%	0.816	63%	0.629	S	S	*	*			trans	-68.9	112.9	175.9	23.8	0	0	0	0	109.3	T789 T793	T789-T791 PolarHBondContact O-N 3.06Å; T789-T791 VanDerWaalsContact O-N 3.09Å; T791-T793 PolarHBondContact O-N 2.98Å
792	A	23.9	Very low	29.7	Very low	100 Å²	100	103.8 Å²	103.8	83%	0.826	66%	0.658	S	S	*	*			trans	-60.9	121.7	172.3	0	0	0	0	0	111.5	T790	T790-A792 PolarHBondContact O-N 3.5Å
793	T	23.1	Very low	29.1	Very low	132 Å²	132	112.1 Å²	112.1	81%	0.81	70%	0.7	S	S	*	*			trans	-124.2	102	153	40.8	0	0	0	0	106.1	T791	T791-T793 PolarHBondContact O-N 2.98Å
794	A	22.4	Very low	28.4	Very low	89 Å²	89	120.9 Å²	120.9	74%	0.736	74%	0.737	S	S	*	*				61.9	115.5	109.6	0	0	0	0	0	111.4
795	T	23	Very low	27.8	Very low	125 Å²	125	121.8 Å²	121.8	77%	0.767	73%	0.734	S	S	*	*			cis	-172.2	131.3	39.3	39.5	0	0	0	0	108.1
796	T	25	Very low	27.3	Very low	143 Å²	143	122.1 Å²	122.1	88%	0.877	74%	0.739	S	S	*	*			trans	-167.4	115.1	142.6	12	0	0	0	0	109.4	I798	T796-I798 PolarHBondContact O-N 2.68Å
797	T	22.5	Very low	27	Very low	141 Å²	141	119.6 Å²	119.6	87%	0.865	72%	0.718	S	S	*	*			trans	-59.8	110.5	172.9	40.1	0	0	0	0	111.8
798	I	26	Very low	27	Very low	162 Å²	162	124.2 Å²	124.2	83%	0.831	73%	0.729	S	S	*	*			trans	-135.6	118.6	148.7	-59.7	-177.2	0	0	0	108	T796 N800	T796-I798 PolarHBondContact O-N 2.68Å; I798-N800 PolarHBondContact O-N 3.29Å
799	A	23.7	Very low	27.2	Very low	89 Å²	89	123.9 Å²	123.9	74%	0.736	73%	0.725	S	S	*	*			trans	-61.1	107.6	175.5	0	0	0	0	0	110.6
800	N	25.4	Very low	27.7	Very low	151 Å²	151	122.3 Å²	122.3	81%	0.807	71%	0.709	S	S	*	*			trans	178.3	112.3	138.6	-89.9	-20.3	0	0	0	106.4	I798 N802	I798-N800 PolarHBondContact O-N 3.29Å; N800-N802 PolarHBondContact O-N 3.36Å
801	G	25.5	Very low	28.1	Very low	82 Å²	82	121.3 Å²	121.3	85%	0.845	70%	0.698	S	S	*	*			trans	-65	92.6	-170.4	0	0	0	0	0	112.4
802	N	26.4	Very low	28.7	Very low	150 Å²	150	119 Å²	119	80%	0.802	68%	0.681	S	S	*	*			trans	-128.4	99.5	154.9	-78.2	-19	0	0	0	105.7	N800 K804	N800-N802 PolarHBondContact O-N 3.36Å; N802-K804 PolarHBondContact O-N 2.96Å
803	M	26.1	Very low	29.2	Very low	183 Å²	183	119.2 Å²	119.2	90%	0.901	66%	0.663	S	S	*	*			trans	-48.9	125.2	168	-78.9	-128.1	158.8	0	0	108.3	E805	M803-E805 PolarHBondContact O-N 3.28Å
804	K	31	Very low	29.8	Very low	204 Å²	204	118.5 Å²	118.5	89%	0.887	65%	0.649	S	S	*	*			trans	-62.4	109.8	173.2	-72.8	-176.3	175.7	-175.8	0	107.2	N802	N802-K804 PolarHBondContact O-N 2.96Å
805	E	32.5	Very low	30.3	Very low	89 Å²	89	117.3 Å²	117.3	42%	0.416	63%	0.629	S	S	.	*			trans	-62.4	132.3	-179.4	-70.3	-177.3	140.2	0	0	110.2	M803 D809 M810 K813	M803-E805 PolarHBondContact O-N 3.28Å; E805-D809 HydrophobicContact CB-CB 3.95Å; E805-D809 HydrophobicContact CG-CB 4.47Å; E805-M810 HydrophobicContact CB-CG 4.44Å; E805-K813 VanDerWaalsContact OE1-CD 3.28Å; E805-K813 WeakPolarHBondContact OE1-CD 3.28Å; E805-K813 WeakPolarHBondContact OE1-CE 2.95Å; E805-K813 IonicContact OE1-NZ 3.53Å; E805-K813 PolarHBondContact OE1-NZ 2.86Å; E805-K813 VanDerWaalsContact OE2-CD 3.29Å; E805-K813 WeakPolarHBondContact OE2-CD 3.46Å; E805-K813 WeakPolarHBondContact OE2-CE 3.33Å; E805-K813 IonicContact OE2-NZ 3.73Å; E805-K813 PolarHBondContact OE2-NZ 3.47Å
806	T	33.3	Very low	30.7	Very low	77 Å²	77	114.4 Å²	114.4	47%	0.472	61%	0.606	S	S	.	*			trans	-70.3	158.8	179.4	59.8	0	0	0	0	110.9	R808 D809 M810	T806-R808 PolarHBondContact O-N 2.88Å; T806-R808 VanDerWaalsContact O-N 3.14Å; T806-D809 PolarHBondContact N-OD2 3.43Å; T806-D809 VanDerWaalsContact N-OD2 3.16Å; T806-D809 CarbonylContact O-C 3.53Å; T806-D809 VanDerWaalsContact O-CA 3.31Å; T806-D809 WeakPolarHBondContact O-CA 3.01Å; T806-D809 WeakPolarHBondContact O-CB 3.39Å; T806-D809 PolarHBondContact O-N 2.87Å; T806-D809 PolarHBondContact OG1-N 3.48Å; T806-D809 PolarHBondContact OG1-OD2 2.98Å; T806-M810 PolarHBondContact O-N 3.34Å
807	E	33.7	Very low	30.9	Very low	44 Å²	44	113.9 Å²	113.9	21%	0.206	60%	0.595	C	S	.	*	H	α-helix	trans	-48.8	-39.9	174.4	-133	-174.8	-178.3	0	0	112.2	E354 M810 I811	E354-E807 VanDerWaalsContact CD-OE2 3.29Å; E354-E807 VanDerWaalsContact CG-CD 3.44Å; E354-E807 HydrophobicContact CG-CG 3.87Å; E354-E807 WeakPolarHBondContact CG-OE1 3.13Å; E354-E807 WeakPolarHBondContact OE1-CB 3.39Å; E354-E807 VanDerWaalsContact OE1-CD 3.32Å; E807-M810 PolarHBondContact O-N 3.44Å; E807-I811 WeakPolarHBondContact O-CG1 3.28Å; E807-I811 PolarHBondContact O-N 3.47Å
808	R	34.4	Very low	31.2	Very low	189 Å²	189	111 Å²	111	71%	0.713	57%	0.574	S	S	*	*	H	α-helix	trans	-62.7	-43.4	171.8	-173.7	-173.5	175.4	166.2	0.1	112	T806 M810 I811 L812	T806-R808 PolarHBondContact O-N 2.88Å; T806-R808 VanDerWaalsContact O-N 3.14Å; R808-M810 VanDerWaalsContact C-N 3.33Å; R808-I811 PolarHBondContact O-N 3.39Å; R808-L812 HydrophobicContact CG-CD1 3.8Å; R808-L812 HydrophobicContact CG-CG 4.33Å; R808-L812 WeakPolarHBondContact O-CB 3.23Å; R808-L812 WeakPolarHBondContact O-CG 3.24Å; R808-L812 PolarHBondContact O-N 2.98Å
809	D	38	Very low	31.6	Very low	67 Å²	67	107.4 Å²	107.4	36%	0.358	55%	0.553	S	S	.	*	H	α-helix	trans	-67.2	-33.3	176.9	-64.8	-41.4	0	0	0	111.8	E805 T806 L812 K813	E805-D809 HydrophobicContact CB-CB 3.95Å; E805-D809 HydrophobicContact CG-CB 4.47Å; T806-D809 PolarHBondContact N-OD2 3.43Å; T806-D809 VanDerWaalsContact N-OD2 3.16Å; T806-D809 CarbonylContact O-C 3.53Å; T806-D809 VanDerWaalsContact O-CA 3.31Å; T806-D809 WeakPolarHBondContact O-CA 3.01Å; T806-D809 WeakPolarHBondContact O-CB 3.39Å; T806-D809 PolarHBondContact O-N 2.87Å; T806-D809 PolarHBondContact OG1-N 3.48Å; T806-D809 PolarHBondContact OG1-OD2 2.98Å; D809-L812 CarbonylContact O-C 3.51Å; D809-K813 WeakPolarHBondContact O-CA 3.27Å; D809-K813 WeakPolarHBondContact O-CB 3.36Å; D809-K813 PolarHBondContact O-N 3.43Å
810	M	35.7	Very low	31.8	Very low	97 Å²	97	107.8 Å²	107.8	48%	0.478	54%	0.543	S	S	.	.	H	α-helix	trans	-71.3	-43.1	173.6	-75.4	-168.3	-72.8	0	0	111.9	E805 T806 E807 R808 L812 K813 F814	E805-M810 HydrophobicContact CB-CG 4.44Å; T806-M810 PolarHBondContact O-N 3.34Å; E807-M810 PolarHBondContact O-N 3.44Å; R808-M810 VanDerWaalsContact C-N 3.33Å; M810-L812 VanDerWaalsContact C-N 3.34Å; M810-K813 PolarHBondContact O-N 3.32Å; M810-F814 WeakPolarHBondContact O-CB 3.22Å; M810-F814 PolarHBondContact O-N 2.96Å
811	I	35.2	Very low	31.8	Very low	101 Å²	101	110.5 Å²	110.5	52%	0.518	55%	0.547	S	S	.	.	H	α-helix	trans	-62.5	-44.3	171.9	-68.4	167.3	0	0	0	109.6	E807 R808 F814 L815	E807-I811 WeakPolarHBondContact O-CG1 3.28Å; E807-I811 PolarHBondContact O-N 3.47Å; R808-I811 PolarHBondContact O-N 3.39Å; I811-F814 PolarHBondContact O-N 3.41Å; I811-L815 HydrophobicContact CG2-CD1 3.88Å; I811-L815 HydrophobicContact CG2-CG 4.44Å; I811-L815 WeakPolarHBondContact O-CB 3.39Å; I811-L815 WeakPolarHBondContact O-CD1 3.34Å; I811-L815 WeakPolarHBondContact O-CG 3.37Å; I811-L815 PolarHBondContact O-N 2.92Å
812	L	35.4	Very low	31.8	Very low	84 Å²	84	110.8 Å²	110.8	44%	0.44	54%	0.536	S	S	.	.	H	α-helix	trans	-67.5	-34.7	176.4	-75.4	170	0	0	0	112.4	R808 D809 M810 L815 K816	R808-L812 HydrophobicContact CG-CD1 3.8Å; R808-L812 HydrophobicContact CG-CG 4.33Å; R808-L812 WeakPolarHBondContact O-CB 3.23Å; R808-L812 WeakPolarHBondContact O-CG 3.24Å; R808-L812 PolarHBondContact O-N 2.98Å; D809-L812 CarbonylContact O-C 3.51Å; M810-L812 VanDerWaalsContact C-N 3.34Å; L812-L815 HydrophobicContact CD2-CD1 4.46Å; L812-K816 WeakPolarHBondContact O-CB 3.15Å; L812-K816 PolarHBondContact O-N 2.85Å
813	K	36.1	Very low	31.7	Very low	105 Å²	105	109.7 Å²	109.7	46%	0.457	53%	0.529	S	S	.	.	H	α-helix	trans	-74.3	-36.4	173.9	-101.9	-174.1	163	-177.3	0	112.1	E805 D809 M810 K816 M817	E805-K813 VanDerWaalsContact OE1-CD 3.28Å; E805-K813 WeakPolarHBondContact OE1-CD 3.28Å; E805-K813 WeakPolarHBondContact OE1-CE 2.95Å; E805-K813 IonicContact OE1-NZ 3.53Å; E805-K813 PolarHBondContact OE1-NZ 2.86Å; E805-K813 VanDerWaalsContact OE2-CD 3.29Å; E805-K813 WeakPolarHBondContact OE2-CD 3.46Å; E805-K813 WeakPolarHBondContact OE2-CE 3.33Å; E805-K813 IonicContact OE2-NZ 3.73Å; E805-K813 PolarHBondContact OE2-NZ 3.47Å; D809-K813 WeakPolarHBondContact O-CA 3.27Å; D809-K813 WeakPolarHBondContact O-CB 3.36Å; D809-K813 PolarHBondContact O-N 3.43Å; M810-K813 PolarHBondContact O-N 3.32Å; K813-K816 CarbonylContact O-C 3.49Å; K813-K816 PolarHBondContact O-N 3.39Å; K813-M817 WeakPolarHBondContact O-CA 3.27Å; K813-M817 WeakPolarHBondContact O-CB 3.45Å; K813-M817 PolarHBondContact O-N 2.84Å
814	F	34.5	Very low	31.6	Very low	117 Å²	117	106.2 Å²	106.2	51%	0.513	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-45.2	174.7	-176.1	-103.7	0	0	0	109.3	M810 I811 M817 L818	M810-F814 WeakPolarHBondContact O-CB 3.22Å; M810-F814 PolarHBondContact O-N 2.96Å; I811-F814 PolarHBondContact O-N 3.41Å; F814-M817 HydrophobicContact CD2-CE 4.25Å; F814-M817 PolarHBondContact O-N 3.25Å; F814-L818 HydrophobicContact CD1-CD1 3.84Å; F814-L818 HydrophobicContact CE1-CD1 3.67Å; F814-L818 HydrophobicContact CZ-CD1 4.26Å; F814-L818 WeakPolarHBondContact O-CB 3.31Å; F814-L818 WeakPolarHBondContact O-CD1 3.29Å; F814-L818 VanDerWaalsContact O-CG 3.23Å; F814-L818 WeakPolarHBondContact O-CG 3.3Å; F814-L818 PolarHBondContact O-N 3.37Å
815	L	32.2	Very low	31.4	Very low	63 Å²	63	104 Å²	104	33%	0.33	52%	0.518	S	S	.	.	H	α-helix	trans	-54.4	-52.8	166.2	-73.7	169.8	0	0	0	110.3	I811 L812 M817 L818 F819	I811-L815 HydrophobicContact CG2-CD1 3.88Å; I811-L815 HydrophobicContact CG2-CG 4.44Å; I811-L815 WeakPolarHBondContact O-CB 3.39Å; I811-L815 WeakPolarHBondContact O-CD1 3.34Å; I811-L815 WeakPolarHBondContact O-CG 3.37Å; I811-L815 PolarHBondContact O-N 2.92Å; L812-L815 HydrophobicContact CD2-CD1 4.46Å; L815-M817 PolarHBondContact O-N 2.98Å; L815-L818 WeakPolarHBondContact O-CB 3.42Å; L815-L818 PolarHBondContact O-N 2.84Å; L815-F819 HydrophobicContact CB-CD2 4.39Å; L815-F819 HydrophobicContact CB-CE2 3.81Å; L815-F819 HydrophobicContact CD2-CE2 4.29Å; L815-F819 HydrophobicContact CD2-CZ 4.42Å; L815-F819 WeakPolarHBondContact O-CD2 3.42Å; L815-F819 WeakPolarHBondContact O-CE2 3.39Å; L815-F819 WeakPolarHBondContact O-CG 3.19Å; L815-F819 PolarHBondContact O-N 3.49Å; L815-F819 VanDerWaalsContact O-N 3.14Å
816	K	31.5	Very low	31.1	Very low	65 Å²	65	108 Å²	108	28%	0.283	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-35.1	-179	-161.8	-170.3	-179.3	-166.2	0	114.4	L812 K813 F819 D820 I840	L812-K816 WeakPolarHBondContact O-CB 3.15Å; L812-K816 PolarHBondContact O-N 2.85Å; K813-K816 CarbonylContact O-C 3.49Å; K813-K816 PolarHBondContact O-N 3.39Å; K816-F819 CarbonylContact O-C 3.57Å; K816-F819 WeakPolarHBondContact O-CA 3.45Å; K816-F819 WeakPolarHBondContact O-CB 3.28Å; K816-F819 PolarHBondContact O-N 3.43Å; K816-D820 PolarHBondContact O-N 2.8Å; K816-I840 HydrophobicContact CD-CD1 3.72Å; K816-I840 HydrophobicContact CD-CG1 4.21Å; K816-I840 HydrophobicContact CD-CG2 3.89Å; K816-I840 VanDerWaalsContact CE-CD1 3.47Å; K816-I840 VanDerWaalsContact CE-CG1 3.49Å; K816-I840 VanDerWaalsContact CE-CG2 3.42Å; K816-I840 HydrophobicContact CG-CG2 4.13Å; K816-I840 VanDerWaalsContact NZ-CG1 3.26Å
817	M	29.3	Very low	30.7	Very low	131 Å²	131	112.2 Å²	112.2	65%	0.645	56%	0.555	S	S	*	*	H	α-helix	trans	-73.1	-31.8	177.6	-172.6	-177.8	73.4	0	0	111	K813 F814 L815 F819	K813-M817 WeakPolarHBondContact O-CA 3.27Å; K813-M817 WeakPolarHBondContact O-CB 3.45Å; K813-M817 PolarHBondContact O-N 2.84Å; F814-M817 HydrophobicContact CD2-CE 4.25Å; F814-M817 PolarHBondContact O-N 3.25Å; L815-M817 PolarHBondContact O-N 2.98Å; M817-F819 PolarHBondContact O-N 2.88Å
818	L	28.7	Very low	30.1	Very low	80 Å²	80	118 Å²	118	42%	0.419	59%	0.587	S	S	.	*	H	α-helix	trans	-65.3	-26.3	165.7	-71.3	162	0	0	0	111.7	F814 L815	F814-L818 HydrophobicContact CD1-CD1 3.84Å; F814-L818 HydrophobicContact CE1-CD1 3.67Å; F814-L818 HydrophobicContact CZ-CD1 4.26Å; F814-L818 WeakPolarHBondContact O-CB 3.31Å; F814-L818 WeakPolarHBondContact O-CD1 3.29Å; F814-L818 VanDerWaalsContact O-CG 3.23Å; F814-L818 WeakPolarHBondContact O-CG 3.3Å; F814-L818 PolarHBondContact O-N 3.37Å; L815-L818 WeakPolarHBondContact O-CB 3.42Å; L815-L818 PolarHBondContact O-N 2.84Å
819	F	35.9	Very low	29.7	Very low	88 Å²	88	113 Å²	113	39%	0.386	58%	0.582	S	S	.	*	H	α-helix	trans	-95.1	-25.7	-176.9	-61.2	-51.1	0	0	0	115.7	L815 K816 M817 S822	L815-F819 HydrophobicContact CB-CD2 4.39Å; L815-F819 HydrophobicContact CB-CE2 3.81Å; L815-F819 HydrophobicContact CD2-CE2 4.29Å; L815-F819 HydrophobicContact CD2-CZ 4.42Å; L815-F819 WeakPolarHBondContact O-CD2 3.42Å; L815-F819 WeakPolarHBondContact O-CE2 3.39Å; L815-F819 WeakPolarHBondContact O-CG 3.19Å; L815-F819 PolarHBondContact O-N 3.49Å; L815-F819 VanDerWaalsContact O-N 3.14Å; K816-F819 CarbonylContact O-C 3.57Å; K816-F819 WeakPolarHBondContact O-CA 3.45Å; K816-F819 WeakPolarHBondContact O-CB 3.28Å; K816-F819 PolarHBondContact O-N 3.43Å; M817-F819 PolarHBondContact O-N 2.88Å; F819-S822 PolarHBondContact O-OG 2.9Å
820	D	26.6	Very low	29	Very low	97 Å²	97	116.8 Å²	116.8	52%	0.519	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-13.6	-171	-90.6	-14.3	0	0	0	114.8	K816 S822	K816-D820 PolarHBondContact O-N 2.8Å; D820-S822 PolarHBondContact O-N 2.85Å
821	K	25.7	Very low	28.5	Very low	208 Å²	208	116 Å²	116	90%	0.904	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	6.9	178.8	-84.7	-163.9	177.4	-177.8	0	115
822	S	25.2	Very low	27.8	Very low	87 Å²	87	120.2 Å²	120.2	61%	0.608	64%	0.641	S	S	*	*			trans	-131.3	69.8	-177.7	55.6	0	0	0	0	112.1	F819 D820	F819-S822 PolarHBondContact O-OG 2.9Å; D820-S822 PolarHBondContact O-N 2.85Å
823	I	24.9	Very low	27.3	Very low	128 Å²	128	119.8 Å²	119.8	66%	0.656	66%	0.658	S	S	*	*			trans	-123.1	97	162	-54.5	176.8	0	0	0	108.3
824	P	24.2	Very low	26.6	Very low	110 Å²	110	123.7 Å²	123.7	71%	0.714	68%	0.675	S	S	*	*			trans	-67.2	134.1	162	-13.6	29.1	0	0	0	109.7	E826	P824-E826 PolarHBondContact O-N 3.3Å
825	N	27.3	Very low	26.2	Very low	157 Å²	157	127.8 Å²	127.8	84%	0.84	69%	0.692	S	S	*	*	S	Bend	trans	-67.4	24.3	-172.9	-83.5	-26	0	0	0	116.4
826	E	25.9	Very low	25.6	Very low	174 Å²	174	132.6 Å²	132.6	81%	0.813	71%	0.713	S	S	*	*			trans	-126.8	79.8	-176.7	-70.4	179.1	-179.8	0	0	110	P824	P824-E826 PolarHBondContact O-N 3.3Å
827	L	23.7	Very low	25.3	Very low	164 Å²	164	138.9 Å²	138.9	86%	0.859	74%	0.741	S	S	*	*			trans	-168	52.5	151.8	-96.6	154	0	0	0	109.5	S829	L827-S829 PolarHBondContact O-N 3.43Å
828	N	22	Very low	25	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	75%	0.747	S	S	*	*			trans	-77.8	86.9	154.7	-87	-26.4	0	0	0	108.4
829	S	25.6	Very low	24.8	Very low	86 Å²	86	139.6 Å²	139.6	60%	0.601	76%	0.76	S	S	*	*			trans	-168.6	99.9	153.3	45	0	0	0	0	113.3	L827	L827-S829 PolarHBondContact O-N 3.43Å
830	T	22.9	Very low	24.3	Very low	146 Å²	146	140.6 Å²	140.6	90%	0.896	77%	0.769	S	S	*	*			trans	58.4	107.1	136.8	58.9	0	0	0	0	119.5
831	G	25.4	Very low	24.3	Very low	79 Å²	79	141.3 Å²	141.3	81%	0.814	78%	0.778	S	S	*	*			trans	175.8	68.8	159.6	0	0	0	0	0	113.2	G833	G831-G833 PolarHBondContact O-N 3.37Å
832	E	21.5	Very low	24.2	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	77%	0.773	S	S	*	*			trans	-55.4	119.7	175.7	-66.1	-175.8	134.4	0	0	112.4
833	G	25.4	Very low	24.4	Very low	76 Å²	76	142.2 Å²	142.2	78%	0.784	79%	0.786	S	S	*	*			trans	-138.6	75.4	167.3	0	0	0	0	0	109.8	G831 F835	G831-G833 PolarHBondContact O-N 3.37Å; G833-F835 PolarHBondContact O-N 2.79Å
834	K	20.9	Very low	24.7	Very low	187 Å²	187	145.1 Å²	145.1	81%	0.813	79%	0.789	S	S	*	*			trans	-56.1	116.7	175.5	-76.3	171.8	176.6	167.3	0	110.8
835	F	25.2	Very low	24.9	Very low	202 Å²	202	144.2 Å²	144.2	89%	0.886	78%	0.778	S	S	*	*				-149	127.5	128.7	-139	-93.9	0	0	0	111.7	G833	G833-F835 PolarHBondContact O-N 2.79Å
836	Q	19.7	Very low	25.1	Very low	165 Å²	165	140.4 Å²	140.4	77%	0.771	76%	0.762	S	S	*	*			trans	-83.9	137.7	-178.9	-68.9	166.7	-33.1	0	0	110
837	F	25.1	Very low	25.7	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.864	76%	0.763	S	S	*	*				-147.4	131.8	104.4	-98.3	-81.5	0	0	0	108.1
838	T	24	Very low	26	Very low	126 Å²	126	137.7 Å²	137.7	77%	0.773	76%	0.761	S	S	*	*	S	Bend	trans	-50.7	143.5	-177.4	48.5	0	0	0	0	113
839	S	23.4	Very low	26.7	Very low	99 Å²	99	139.9 Å²	139.9	69%	0.692	76%	0.757	S	S	*	*	S	Bend	cis	-153.9	127.5	10.6	46.1	0	0	0	0	110.2
840	I	26.3	Very low	27.2	Very low	110 Å²	110	140.9 Å²	140.9	56%	0.564	76%	0.761	S	S	*	*	S	Bend	trans	105.7	126.2	168.7	-56.4	141.3	0	0	0	114.1	K816	K816-I840 HydrophobicContact CD-CD1 3.72Å; K816-I840 HydrophobicContact CD-CG1 4.21Å; K816-I840 HydrophobicContact CD-CG2 3.89Å; K816-I840 VanDerWaalsContact CE-CD1 3.47Å; K816-I840 VanDerWaalsContact CE-CG1 3.49Å; K816-I840 VanDerWaalsContact CE-CG2 3.42Å; K816-I840 HydrophobicContact CG-CG2 4.13Å; K816-I840 VanDerWaalsContact NZ-CG1 3.26Å
841	P	26	Very low	28.1	Very low	111 Å²	111	135.8 Å²	135.8	72%	0.721	73%	0.73	S	S	*	*			trans	-93.6	153.2	-144.5	36.2	-32.1	0	0	0	114.2
842	Q	24.2	Very low	29.3	Very low	171 Å²	171	135.7 Å²	135.7	80%	0.799	71%	0.71	S	S	*	*			trans	-55.8	135.9	164	-60.4	165.2	-35.1	0	0	111.5
843	T	27.8	Very low	30.9	Very low	144 Å²	144	130.2 Å²	130.2	88%	0.883	69%	0.687	S	S	*	*				-156	62.8	129.7	42.2	0	0	0	0	107.2
844	W	31.6	Very low	32.5	Very low	188 Å²	188	135.7 Å²	135.7	71%	0.712	68%	0.684	S	S	*	*			trans	-90.9	122.2	175.9	-59.1	79.4	0	0	0	107.5
845	L	30	Very low	35	Very low	91 Å²	91	129.9 Å²	129.9	48%	0.476	66%	0.657	S	S	.	*	S	Bend	trans	98.8	125.4	166.8	-51.5	153.6	0	0	0	114.9	P850 V851	L845-P850 HydrophobicContact CD1-CB 4.45Å; L845-V851 HydrophobicContact CD1-CB 4.17Å; L845-V851 HydrophobicContact CD1-CG2 4.05Å; L845-V851 HydrophobicContact CD2-CG2 3.93Å
846	P	31.1	Very low	37.6	Very low	77 Å²	77	120.2 Å²	120.2	50%	0.5	62%	0.615	S	S	.	*			trans	-61.1	162.1	168	27.3	-31.9	0	0	0	110.3	D848	P846-D848 PolarHBondContact O-N 2.89Å
847	P	37.3	Very low	40.4	Very low	131 Å²	131	113 Å²	113	85%	0.851	58%	0.581	S	S	*	*	S	Bend	trans	-66.3	2.6	-163.9	25.1	-33.5	0	0	0	116.3	R849	P847-R849 PolarHBondContact O-N 2.82Å
848	D	31.5	Very low	43	Very low	151 Å²	151	107.5 Å²	107.5	81%	0.807	56%	0.555	S	S	*	*	S	Bend	trans	-82.5	81	175.1	-68.2	-30.1	0	0	0	111.2	P846	P846-D848 PolarHBondContact O-N 2.89Å
849	R	35.6	Very low	45.9	Very low	210 Å²	210	101.5 Å²	101.5	79%	0.792	52%	0.519	S	S	*	.			trans	46.8	122.3	177.5	-84.1	-168.4	-169.8	-172.6	5.4	117	P847 V851	P847-R849 PolarHBondContact O-N 2.82Å; R849-V851 PolarHBondContact O-N 2.93Å
850	P	37.3	Very low	48.8	Very low	107 Å²	107	97.1 Å²	97.1	70%	0.695	49%	0.487	S	S	*	.			trans	-59.6	139.8	176.4	25.6	-33.4	0	0	0	112	L845 D852	L845-P850 HydrophobicContact CD1-CB 4.45Å; P850-D852 PolarHBondContact O-N 3.45Å
851	V	41.9	Very low	51.6	Low	39 Å²	39	91.9 Å²	91.9	24%	0.236	46%	0.461	C	S	.	.			trans	-65.5	101.8	170.6	179.5	0	0	0	0	107.8	L262 P263 L845 R849 L853	L262-V851 HydrophobicContact CD2-CG1 4.5Å; P263-V851 HydrophobicContact CG-CG2 3.45Å; P263-V851 VanDerWaalsContact CG-CG2 3.45Å; L845-V851 HydrophobicContact CD1-CB 4.17Å; L845-V851 HydrophobicContact CD1-CG2 4.05Å; L845-V851 HydrophobicContact CD2-CG2 3.93Å; R849-V851 PolarHBondContact O-N 2.93Å; V851-L853 HydrophobicContact CG1-CD2 4.08Å; V851-L853 HydrophobicContact CG1-CG 4.38Å; V851-L853 PolarHBondContact O-N 3.05Å; V851-L853 VanDerWaalsContact O-N 3.09Å
852	D	49.8	Very low	54.3	Low	77 Å²	77	87.1 Å²	87.1	41%	0.412	43%	0.429	S	S	.	.			trans	-77.1	95.1	174.6	-170.2	10.2	0	0	0	110.2	P850 R854 R855	P850-D852 PolarHBondContact O-N 3.45Å; D852-R854 PolarHBondContact O-N 3.41Å; D852-R854 WeakPolarHBondContact OD1-CA 3.46Å; D852-R854 WeakPolarHBondContact OD1-CB 3.41Å; D852-R854 WeakPolarHBondContact OD1-CD 3.23Å; D852-R854 WeakPolarHBondContact OD1-CG 3.06Å; D852-R854 PolarHBondContact OD1-N 2.91Å; D852-R855 PolarHBondContact O-N 3.35Å
853	L	55.1	Low	57.2	Low	76 Å²	76	79 Å²	79	40%	0.398	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-3.9	171.1	-66.5	177.6	0	0	0	112.7	Y260 L262 V851 R855	Y260-L853 HydrophobicContact CD1-CD2 4.25Å; Y260-L853 WeakPolarHBondContact CE1-O 3.42Å; Y260-L853 HydrophobicContact CG-CD2 4.31Å; L262-L853 HydrophobicContact CD2-CD2 4.06Å; V851-L853 HydrophobicContact CG1-CD2 4.08Å; V851-L853 HydrophobicContact CG1-CG 4.38Å; V851-L853 PolarHBondContact O-N 3.05Å; V851-L853 VanDerWaalsContact O-N 3.09Å; L853-R855 PolarHBondContact O-N 3.32Å
854	R	59.6	Low	59.7	Low	191 Å²	191	75.4 Å²	75.4	72%	0.721	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.8	172.3	-54.8	168.3	-178	175.7	1.5	111.7	D852	D852-R854 PolarHBondContact O-N 3.41Å; D852-R854 WeakPolarHBondContact OD1-CA 3.46Å; D852-R854 WeakPolarHBondContact OD1-CB 3.41Å; D852-R854 WeakPolarHBondContact OD1-CD 3.23Å; D852-R854 WeakPolarHBondContact OD1-CG 3.06Å; D852-R854 PolarHBondContact OD1-N 2.91Å
855	R	72.4	Confident	61.9	Low	64 Å²	64	66.5 Å²	66.5	24%	0.242	33%	0.328	C	S	.	.	S	Bend	trans	-128.7	113	-177.2	-160.7	164.4	-170.8	168.2	0.7	112.9	W314 D852 L853 Y888	W314-R855 HydrophobicContact CH2-CG 4.44Å; W314-R855 HydrophobicContact CZ2-CG 4.17Å; D852-R855 PolarHBondContact O-N 3.35Å; L853-R855 PolarHBondContact O-N 3.32Å; R855-Y888 VanDerWaalsContact CD-CE1 3.41Å; R855-Y888 HydrophobicContact CG-CD1 3.95Å; R855-Y888 HydrophobicContact CG-CE1 3.9Å; R855-Y888 VanDerWaalsContact NE-CE1 3.3Å; R855-Y888 VanDerWaalsContact NE-CE2 3.27Å; R855-Y888 PolarHBondContact NE-OH 2.96Å; R855-Y888 PolarHBondContact NH1-OH 3.44Å
856	P	79.6	Confident	63.8	Low	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.			trans	-72.5	161.8	-179.8	30.9	-35.3	0	0	0	112.7	F258 Y260 W314 E859	F258-P856 HydrophobicContact CB-CB 3.81Å; F258-P856 HydrophobicContact CB-CG 4.03Å; F258-P856 HydrophobicContact CD1-CG 3.89Å; F258-P856 HydrophobicContact CG-CB 4.46Å; F258-P856 HydrophobicContact CG-CG 4.14Å; Y260-P856 HydrophobicContact CD1-CB 3.98Å; Y260-P856 HydrophobicContact CE1-CB 3.7Å; Y260-P856 HydrophobicContact CE1-CG 4.43Å; W314-P856 HydrophobicContact CB-CG 4.25Å; P856-E859 HydrophobicContact CG-CG 3.66Å
857	N	78.3	Confident	65.5	Low	12 Å²	12	63.8 Å²	63.8	6%	0.064	31%	0.307	C	S	.	.	S	Bend	trans	-84.4	-36.4	172.7	-73.7	94.4	0	0	0	111.5	I259 R261 Y887 Y888 K890	I259-N857 PolarHBondContact O-N 2.97Å; R261-N857 HydrophobicContact CB-CB 4.4Å; R261-N857 WeakPolarHBondContact CB-OD1 3.34Å; R261-N857 PolarHBondContact N-OD1 3.04Å; N857-Y887 VanDerWaalsContact O-CD2 3.3Å; N857-Y887 WeakPolarHBondContact O-CD2 3.38Å; N857-Y888 PolarHBondContact O-N 3.46Å; N857-K890 PolarHBondContact OD1-NZ 3.18Å
858	Y	81	Confident	66.6	Low	83 Å²	83	62.4 Å²	62.4	33%	0.325	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.3	172.8	-58.9	-98.4	0	0	0	110.2	F258 I259 E885 L886 Y887	F258-Y858 WeakPolarHBondContact CA-O 3.47Å; I259-Y858 HydrophobicContact CB-CD2 4.44Å; I259-Y858 PolarHBondContact N-O 3.21Å; I259-Y858 PolarHBondContact O-N 3.38Å; I259-Y858 VanDerWaalsContact O-N 3.09Å; Y858-E885 HydrophobicContact CD1-CG 4.26Å; Y858-E885 VanDerWaalsContact CD1-OE1 3.3Å; Y858-E885 WeakPolarHBondContact CD1-OE1 3.47Å; Y858-L886 CarbonylContact C-O 3.33Å; Y858-L886 VanDerWaalsContact CA-O 3.28Å; Y858-L886 WeakPolarHBondContact CA-O 3.35Å; Y858-Y887 AromaticContact CD1-CD2 3.78Å; Y858-Y887 HydrophobicContact CD1-CD2 3.78Å; Y858-Y887 HydrophobicContact CD1-CG 4.39Å; Y858-Y887 HydrophobicContact CD2-CD2 4.28Å; Y858-Y887 AromaticContact CE1-CD2 3.33Å; Y858-Y887 HydrophobicContact CE1-CD2 3.33Å; Y858-Y887 HydrophobicContact CE1-CE2 4.13Å; Y858-Y887 AromaticContact CE1-CG 3.95Å; Y858-Y887 HydrophobicContact CE1-CG 3.95Å; Y858-Y887 AromaticContact CE2-CD2 3.88Å; Y858-Y887 HydrophobicContact CE2-CD2 3.88Å; Y858-Y887 AromaticContact CE2-CE2 4Å; Y858-Y887 HydrophobicContact CE2-CE2 4Å; Y858-Y887 HydrophobicContact CG-CD2 4.23Å; Y858-Y887 AromaticContact CZ-CD2 3.37Å; Y858-Y887 AromaticContact CZ-CE2 3.69Å
859	E	84.6	Confident	67.9	Low	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.5	169.4	-50.9	176.7	-154.7	0	0	108.4	F258 W314 P856 Y861 E885 L886 Y895	F258-E859 HydrophobicContact CD1-CB 3.99Å; F258-E859 HydrophobicContact CD1-CG 3.87Å; F258-E859 HydrophobicContact CE1-CB 4.08Å; F258-E859 HydrophobicContact CE1-CG 4.07Å; W314-E859 PolarHBondContact NE1-OE1 3.35Å; P856-E859 HydrophobicContact CG-CG 3.66Å; E859-Y861 HydrophobicContact CB-CE2 3.71Å; E859-Y861 PolarHBondContact OE2-OH 2.93Å; E859-E885 CarbonylContact O-C 3.56Å; E859-E885 WeakPolarHBondContact O-CA 3.4Å; E859-L886 HydrophobicContact CB-CB 4.18Å; E859-L886 PolarHBondContact N-O 3.03Å; E859-L886 PolarHBondContact O-N 3.5Å; E859-Y895 WeakPolarHBondContact OE1-CE1 3.39Å; E859-Y895 PolarHBondContact OE1-OH 3.18Å
860	L	82.9	Confident	68.8	Low	7 Å²	7	57.3 Å²	57.3	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.2	179.9	-69.4	75	0	0	0	108.4	F109 A256 R257 I259 Y883 I884 E885	F109-L860 HydrophobicContact CD1-CD2 4.38Å; F109-L860 HydrophobicContact CE1-CD2 3.31Å; F109-L860 HydrophobicContact CZ-CD2 3.58Å; A256-L860 CarbonylContact C-O 3.59Å; A256-L860 WeakPolarHBondContact CA-O 3.27Å; R257-L860 HydrophobicContact CB-CB 4.19Å; R257-L860 PolarHBondContact N-O 2.66Å; R257-L860 PolarHBondContact O-N 3.26Å; I259-L860 HydrophobicContact CD1-CD1 3.79Å; I259-L860 HydrophobicContact CD1-CD2 4.48Å; I259-L860 HydrophobicContact CG1-CD1 4.08Å; L860-Y883 HydrophobicContact CB-CE2 4.5Å; L860-Y883 HydrophobicContact CD2-CE2 4.14Å; L860-Y883 WeakPolarHBondContact CD2-OH 3.3Å; L860-Y883 HydrophobicContact CG-CE2 4.48Å; L860-I884 CarbonylContact C-O 3.54Å; L860-I884 VanDerWaalsContact CA-O 3.27Å; L860-I884 WeakPolarHBondContact CA-O 3.45Å; L860-E885 HydrophobicContact CD1-CG 4.4Å; L860-E885 HydrophobicContact CG-CB 4.47Å; L860-E885 HydrophobicContact CG-CG 4.23Å
861	Y	85.2	Confident	69.4	Low	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.3	177.1	-55.2	-74.9	0	0	0	110.3	L228 L231 S255 A256 F258 S313 E859 Y883 I884 L886	L228-Y861 HydrophobicContact CD1-CE1 4.23Å; L228-Y861 HydrophobicContact CD2-CD1 3.55Å; L228-Y861 HydrophobicContact CD2-CE1 3.78Å; L228-Y861 HydrophobicContact CD2-CG 4.1Å; L228-Y861 HydrophobicContact CG-CD1 4.28Å; L228-Y861 HydrophobicContact CG-CE1 3.99Å; L231-Y861 HydrophobicContact CD1-CD2 4.06Å; L231-Y861 HydrophobicContact CD1-CE2 4.42Å; S255-Y861 CarbonylContact O-C 3.49Å; S255-Y861 WeakPolarHBondContact O-CA 3.15Å; A256-Y861 HydrophobicContact CB-CD1 3.75Å; A256-Y861 HydrophobicContact CB-CE1 3.85Å; F258-Y861 HydrophobicContact CE1-CE1 4.05Å; F258-Y861 AromaticContact CE1-CZ 3.97Å; F258-Y861 WeakPolarHBondContact CE1-OH 3.49Å; F258-Y861 HydrophobicContact CZ-CE1 4.28Å; S313-Y861 WeakPolarHBondContact CB-OH 3.29Å; S313-Y861 PolarHBondContact OG-OH 2.84Å; E859-Y861 HydrophobicContact CB-CE2 3.71Å; E859-Y861 PolarHBondContact OE2-OH 2.93Å; Y861-Y883 CarbonylContact O-C 3.57Å; Y861-Y883 WeakPolarHBondContact O-CA 3.21Å; Y861-I884 HydrophobicContact CD2-CG2 4.46Å; Y861-I884 PolarHBondContact N-O 3.25Å; Y861-I884 PolarHBondContact O-N 3.2Å; Y861-L886 HydrophobicContact CE2-CD1 4.13Å
862	I	83.4	Confident	69.7	Low	11 Å²	11	61 Å²	61	6%	0.056	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.8	172.4	-62.5	164	0	0	0	107.5	F118 I254 S255 R881 L882 Y883	F118-I862 HydrophobicContact CE1-CD1 4.22Å; F118-I862 HydrophobicContact CE2-CD1 4.26Å; F118-I862 HydrophobicContact CZ-CD1 3.6Å; I254-I862 CarbonylContact C-O 3.58Å; I254-I862 VanDerWaalsContact CA-O 3.32Å; I254-I862 WeakPolarHBondContact CA-O 3.35Å; S255-I862 PolarHBondContact N-O 3.41Å; S255-I862 PolarHBondContact O-N 3.3Å; I862-R881 HydrophobicContact CG2-CG 4.25Å; I862-L882 CarbonylContact C-O 3.49Å; I862-L882 WeakPolarHBondContact CA-O 3.05Å; I862-Y883 HydrophobicContact CG1-CD2 3.94Å
863	F	84.4	Confident	69.6	Low	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.7	172.8	-68.9	-102.7	0	0	0	107.8	L228 L231 K232 F235 L252 I254 R881 L882 I884	L228-F863 HydrophobicContact CD2-CE2 4.28Å; L228-F863 HydrophobicContact CD2-CZ 3.66Å; L231-F863 HydrophobicContact CB-CE1 4.42Å; L231-F863 HydrophobicContact CB-CE2 4.02Å; L231-F863 HydrophobicContact CB-CZ 3.59Å; L231-F863 HydrophobicContact CD1-CE2 4.39Å; K232-F863 HydrophobicContact CB-CE1 4.08Å; F235-F863 HydrophobicContact CD1-CB 4.24Å; F235-F863 HydrophobicContact CD1-CD1 4.49Å; F235-F863 HydrophobicContact CD2-CB 4.49Å; F235-F863 HydrophobicContact CE1-CB 4.23Å; F235-F863 HydrophobicContact CE2-CB 4.48Å; F235-F863 HydrophobicContact CG-CB 4.36Å; F235-F863 HydrophobicContact CZ-CB 4.35Å; L252-F863 HydrophobicContact CD1-CB 4.19Å; L252-F863 HydrophobicContact CD1-CD1 4.09Å; L252-F863 HydrophobicContact CD2-CD1 3.81Å; L252-F863 HydrophobicContact CD2-CE1 4.19Å; L252-F863 HydrophobicContact CG-CD1 4.23Å; I254-F863 HydrophobicContact CD1-CD1 4.23Å; I254-F863 HydrophobicContact CD1-CE1 3.75Å; I254-F863 HydrophobicContact CD1-CZ 4.49Å; I254-F863 HydrophobicContact CG1-CD1 3.96Å; I254-F863 HydrophobicContact CG1-CE1 3.94Å; I254-F863 HydrophobicContact CG2-CE1 4.4Å; I254-F863 HydrophobicContact CG2-CZ 4.38Å; F863-R881 CarbonylContact O-C 3.58Å; F863-R881 WeakPolarHBondContact O-CA 3.39Å; F863-L882 HydrophobicContact CB-CB 4.14Å; F863-L882 PolarHBondContact N-O 2.73Å; F863-L882 PolarHBondContact O-N 3.04Å; F863-I884 HydrophobicContact CD2-CD1 4.08Å; F863-I884 HydrophobicContact CE2-CD1 3.83Å
864	Y	81.2	Confident	69.2	Low	68 Å²	68	61.5 Å²	61.5	27%	0.267	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.5	178.5	-177.9	-98.6	0	0	0	110.4	D253 E866 S879 R881	D253-Y864 PolarHBondContact N-O 2.67Å; D253-Y864 PolarHBondContact O-N 2.72Å; Y864-E866 HydrophobicContact CE1-CG 3.86Å; Y864-E866 WeakPolarHBondContact OH-CG 3.45Å; Y864-E866 PolarHBondContact OH-OE1 3Å; Y864-S879 VanDerWaalsContact OH-CB 3.31Å; Y864-S879 WeakPolarHBondContact OH-CB 3.35Å; Y864-S879 PolarHBondContact OH-OG 3.37Å; Y864-R881 HydrophobicContact CD2-CB 4.49Å
865	T	77.4	Confident	68.7	Low	1 Å²	1	55.8 Å²	55.8	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.1	172.4	-169.8	0	0	0	0	110.7	F235 L239 K251 H880	F235-T865 HydrophobicContact CE1-CG2 3.6Å; F235-T865 HydrophobicContact CZ-CG2 3.78Å; L239-T865 HydrophobicContact CD1-CG2 3.7Å; L239-T865 HydrophobicContact CD2-CG2 4.38Å; K251-T865 PolarHBondContact O-OG1 2.87Å; T865-H880 HydrophobicContact CG2-CB 4.07Å; T865-H880 PolarHBondContact N-O 3.33Å; T865-H880 PolarHBondContact O-N 3.28Å
866	E	71	Confident	68.2	Low	82 Å²	82	54 Å²	54	38%	0.383	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.7	168.7	-70.8	-179.8	-171.9	0	0	109.4	Y864 P868	Y864-E866 HydrophobicContact CE1-CG 3.86Å; Y864-E866 WeakPolarHBondContact OH-CG 3.45Å; Y864-E866 PolarHBondContact OH-OE1 3Å; E866-P868 WeakPolarHBondContact O-CD 3.26Å
867	L	65.6	Low	67.1	Low	29 Å²	29	56.2 Å²	56.2	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.8	173.7	-68.9	178	0	0	0	109.1	L239 P250 Y869 R876 G878	L239-L867 HydrophobicContact CD2-CD1 4.26Å; P250-L867 HydrophobicContact CB-CD2 4.15Å; P250-L867 HydrophobicContact CG-CD2 4.43Å; L867-Y869 VanDerWaalsContact C-N 3.3Å; L867-Y869 PolarHBondContact O-N 3.04Å; L867-R876 HydrophobicContact CD1-CB 4.08Å; L867-G878 PolarHBondContact N-O 3.39Å
868	P	60.5	Low	66.3	Low	102 Å²	102	57 Å²	57	66%	0.662	29%	0.293	S	S	*	.	S	Bend	trans	-74.5	-19.8	-177.1	27.6	-33.9	0	0	0	113.6	E866	E866-P868 WeakPolarHBondContact O-CD 3.26Å
869	Y	58	Low	65.6	Low	182 Å²	182	53.8 Å²	53.8	71%	0.714	28%	0.283	S	S	*	.	S	Bend	trans	-134.5	144.4	-176.7	-59.6	-71.7	0	0	0	110.1	L867 N871	L867-Y869 VanDerWaalsContact C-N 3.3Å; L867-Y869 PolarHBondContact O-N 3.04Å; Y869-N871 PolarHBondContact O-N 3.49Å
870	P	54.7	Low	65.2	Low	73 Å²	73	53.8 Å²	53.8	47%	0.474	28%	0.283	S	S	.	.			trans	-64.3	133.3	173.8	27.6	-28.4	0	0	0	108.7	L877	P870-L877 HydrophobicContact CB-CD1 4.14Å; P870-L877 HydrophobicContact CB-CD2 4.33Å; P870-L877 HydrophobicContact CB-CG 3.94Å; P870-L877 HydrophobicContact CG-CD1 4.32Å; P870-L877 HydrophobicContact CG-CG 4.45Å
871	N	51.3	Low	65	Low	39 Å²	39	54.7 Å²	54.7	21%	0.209	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-63.3	139.8	171.3	-177.5	-8.6	0	0	0	109.2	G240 Y869 L873 T874	G240-N871 PolarHBondContact O-ND2 3.09Å; Y869-N871 PolarHBondContact O-N 3.49Å; N871-L873 PolarHBondContact O-N 3.46Å; N871-L873 VanDerWaalsContact O-N 3.09Å; N871-L873 PolarHBondContact OD1-N 3.42Å; N871-L873 VanDerWaalsContact OD1-N 3.17Å; N871-T874 PolarHBondContact N-O 2.89Å; N871-T874 CarbonylContact O-C 3.44Å; N871-T874 PolarHBondContact O-N 3.4Å; N871-T874 VanDerWaalsContact O-N 3.08Å
872	Q	47.9	Very low	64.9	Low	185 Å²	185	54.8 Å²	54.8	86%	0.864	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-24.9	177	-72.3	-175.4	-10.8	0	0	113.1
873	L	46.4	Very low	64.8	Low	131 Å²	131	54.4 Å²	54.4	69%	0.686	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-18	-180	-66.9	170.3	0	0	0	113.5	N871	N871-L873 PolarHBondContact O-N 3.46Å; N871-L873 VanDerWaalsContact O-N 3.09Å; N871-L873 PolarHBondContact OD1-N 3.42Å; N871-L873 VanDerWaalsContact OD1-N 3.17Å
874	T	46.8	Very low	64.8	Low	32 Å²	32	54.4 Å²	54.4	20%	0.196	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-159.8	137.5	-169.6	57.4	0	0	0	0	111.5	N871 R876	N871-T874 PolarHBondContact N-O 2.89Å; N871-T874 CarbonylContact O-C 3.44Å; N871-T874 PolarHBondContact O-N 3.4Å; N871-T874 VanDerWaalsContact O-N 3.08Å; T874-R876 VanDerWaalsContact CB-NE 3.35Å; T874-R876 PolarHBondContact O-N 3.47Å; T874-R876 WeakPolarHBondContact OG1-CD 3.33Å; T874-R876 VanDerWaalsContact OG1-CG 3.26Å; T874-R876 WeakPolarHBondContact OG1-CG 3.25Å; T874-R876 PolarHBondContact OG1-NE 3.09Å; T874-R876 VanDerWaalsContact OG1-NE 3.15Å
875	S	50.7	Low	64.9	Low	71 Å²	71	53.4 Å²	53.4	50%	0.497	28%	0.282	S	S	.	.			trans	-67.4	41.4	176	21.3	0	0	0	0	114.7	L877 D907	S875-L877 PolarHBondContact O-N 3.31Å; S875-D907 WeakPolarHBondContact CB-OD2 3.36Å; S875-D907 PolarHBondContact OG-OD2 3.11Å
876	R	60.8	Low	65.2	Low	26 Å²	26	53.4 Å²	53.4	10%	0.098	28%	0.282	C	S	.	.			trans	-85.9	96.5	-175.8	-65.7	176	-170.9	175.5	-7.6	110.6	K238 L239 L867 T874 T908	K238-R876 PolarHBondContact O-NH1 3.45Å; L239-R876 PolarHBondContact O-NH1 2.97Å; L867-R876 HydrophobicContact CD1-CB 4.08Å; T874-R876 VanDerWaalsContact CB-NE 3.35Å; T874-R876 PolarHBondContact O-N 3.47Å; T874-R876 WeakPolarHBondContact OG1-CD 3.33Å; T874-R876 VanDerWaalsContact OG1-CG 3.26Å; T874-R876 WeakPolarHBondContact OG1-CG 3.25Å; T874-R876 PolarHBondContact OG1-NE 3.09Å; T874-R876 VanDerWaalsContact OG1-NE 3.15Å; R876-T908 HydrophobicContact CG-CG2 4.36Å
877	L	57.7	Low	65.7	Low	47 Å²	47	52 Å²	52	25%	0.246	27%	0.274	C	S	.	.			trans	-119.7	148.8	173.6	-81.7	167.9	0	0	0	110.1	L208 P870 S875	L208-L877 HydrophobicContact CD1-CB 3.59Å; L208-L877 HydrophobicContact CD2-CB 3.94Å; L208-L877 HydrophobicContact CG-CB 4.43Å; P870-L877 HydrophobicContact CB-CD1 4.14Å; P870-L877 HydrophobicContact CB-CD2 4.33Å; P870-L877 HydrophobicContact CB-CG 3.94Å; P870-L877 HydrophobicContact CG-CD1 4.32Å; P870-L877 HydrophobicContact CG-CG 4.45Å; S875-L877 PolarHBondContact O-N 3.31Å
878	G	61.7	Low	66.4	Low	28 Å²	28	51.1 Å²	51.1	29%	0.289	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	101.7	-172.7	173.3	0	0	0	0	0	115	L867 H880	L867-G878 PolarHBondContact N-O 3.39Å; G878-H880 PolarHBondContact O-CE1 3.22Å; G878-H880 PolarHBondContact O-ND1 3.04Å
879	S	66.1	Low	67.2	Low	15 Å²	15	46.8 Å²	46.8	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.5	-178.7	-45.7	0	0	0	0	110.8	Y864	Y864-S879 VanDerWaalsContact OH-CB 3.31Å; Y864-S879 WeakPolarHBondContact OH-CB 3.35Å; Y864-S879 PolarHBondContact OH-OG 3.37Å
880	H	74.8	Confident	67.8	Low	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.7	177	-62.4	74.9	0	0	0	109	F235 L239 T865 G878 S903 F904	F235-H880 HydrophobicContact CZ-CB 4.28Å; L239-H880 HydrophobicContact CD2-CB 3.99Å; T865-H880 HydrophobicContact CG2-CB 4.07Å; T865-H880 PolarHBondContact N-O 3.33Å; T865-H880 PolarHBondContact O-N 3.28Å; G878-H880 PolarHBondContact O-CE1 3.22Å; G878-H880 PolarHBondContact O-ND1 3.04Å; H880-S903 WeakPolarHBondContact CA-O 3.46Å; H880-F904 HydrophobicContact CB-CD1 4.28Å; H880-F904 AromaticContact CD2-CD1 3.72Å
881	R	79.2	Confident	68.5	Low	25 Å²	25	46.4 Å²	46.4	9%	0.094	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.7	-177.9	-171.9	178.6	176.6	142.5	-3.2	110.7	F118 W119 I862 F863 Y864 G902 S903	F118-R881 PolarHBondContact O-NH2 3.24Å; W119-R881 PolarHBondContact O-NE 3.05Å; I862-R881 HydrophobicContact CG2-CG 4.25Å; F863-R881 CarbonylContact O-C 3.58Å; F863-R881 WeakPolarHBondContact O-CA 3.39Å; Y864-R881 HydrophobicContact CD2-CB 4.49Å; R881-G902 CarbonylContact O-C 3.6Å; R881-G902 WeakPolarHBondContact O-CA 3.31Å; R881-S903 WeakPolarHBondContact CB-OG 3.43Å; R881-S903 PolarHBondContact N-O 2.92Å; R881-S903 VanDerWaalsContact N-O 3.08Å; R881-S903 PolarHBondContact O-N 2.81Å
882	L	82.8	Confident	69.6	Low	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113.4	170.8	174.2	63.2	0	0	0	109.6	F235 I862 F863 I884 A901 F904 F910	F235-L882 HydrophobicContact CB-CD2 4.25Å; F235-L882 HydrophobicContact CD2-CB 3.69Å; F235-L882 HydrophobicContact CD2-CD2 3.69Å; F235-L882 HydrophobicContact CD2-CG 4.35Å; F235-L882 HydrophobicContact CE2-CB 3.63Å; F235-L882 HydrophobicContact CE2-CD2 4.48Å; F235-L882 HydrophobicContact CG-CD2 4.34Å; I862-L882 CarbonylContact C-O 3.49Å; I862-L882 WeakPolarHBondContact CA-O 3.05Å; F863-L882 HydrophobicContact CB-CB 4.14Å; F863-L882 PolarHBondContact N-O 2.73Å; F863-L882 PolarHBondContact O-N 3.04Å; L882-I884 HydrophobicContact CD1-CG1 4.18Å; L882-I884 HydrophobicContact CD2-CD1 3.83Å; L882-I884 HydrophobicContact CD2-CG1 4.23Å; L882-I884 HydrophobicContact CG-CD1 3.98Å; L882-I884 HydrophobicContact CG-CG1 3.82Å; L882-A901 CarbonylContact C-O 3.51Å; L882-F904 HydrophobicContact CB-CZ 4.22Å; L882-F904 HydrophobicContact CD1-CZ 4.49Å; L882-F910 HydrophobicContact CD1-CE1 3.73Å; L882-F910 HydrophobicContact CD1-CE2 4.49Å; L882-F910 HydrophobicContact CD1-CZ 3.46Å; L882-F910 VanDerWaalsContact CD1-CZ 3.46Å; L882-F910 HydrophobicContact CD2-CZ 3.89Å; L882-F910 HydrophobicContact CG-CZ 4.25Å
883	Y	82.5	Confident	70.9	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.9	167.7	175.3	-90.4	0	0	0	110	F118 W119 L860 Y861 I862 E885 L899 M900 A901	F118-Y883 HydrophobicContact CD1-CD2 4.4Å; F118-Y883 HydrophobicContact CD1-CE2 4.16Å; F118-Y883 AromaticContact CE1-CD2 3.96Å; F118-Y883 HydrophobicContact CE1-CD2 3.96Å; F118-Y883 AromaticContact CE1-CE2 3.62Å; F118-Y883 HydrophobicContact CE1-CE2 3.62Å; W119-Y883 HydrophobicContact CB-CG 4.44Å; W119-Y883 AromaticContact CD1-CD1 3.29Å; W119-Y883 AromaticContact CD1-CD2 3.89Å; W119-Y883 AromaticContact CD1-CE1 3.34Å; W119-Y883 AromaticContact CD1-CE2 3.94Å; W119-Y883 AromaticContact CD1-CG 3.57Å; W119-Y883 AromaticContact CD1-CZ 3.65Å; W119-Y883 HydrophobicContact CD2-CD1 4.4Å; W119-Y883 AromaticContact CE2-CE1 3.85Å; W119-Y883 AromaticContact CG-CD1 3.87Å; W119-Y883 HydrophobicContact CG-CD1 3.87Å; W119-Y883 HydrophobicContact CG-CE1 4.25Å; W119-Y883 HydrophobicContact CG-CG 4.16Å; W119-Y883 AromaticContact NE1-CD1 3.47Å; W119-Y883 AromaticContact NE1-CE1 3.04Å; W119-Y883 AromaticContact NE1-CZ 3.43Å; L860-Y883 HydrophobicContact CB-CE2 4.5Å; L860-Y883 HydrophobicContact CD2-CE2 4.14Å; L860-Y883 WeakPolarHBondContact CD2-OH 3.3Å; L860-Y883 HydrophobicContact CG-CE2 4.48Å; Y861-Y883 CarbonylContact O-C 3.57Å; Y861-Y883 WeakPolarHBondContact O-CA 3.21Å; I862-Y883 HydrophobicContact CG1-CD2 3.94Å; Y883-E885 HydrophobicContact CE1-CB 3.7Å; Y883-E885 PolarHBondContact OH-OE2 3.37Å; Y883-L899 HydrophobicContact CD1-CD2 3.91Å; Y883-L899 HydrophobicContact CE1-CD2 3.7Å; Y883-M900 CarbonylContact O-C 3.46Å; Y883-M900 WeakPolarHBondContact O-CA 3.38Å; Y883-A901 WeakPolarHBondContact CA-O 3.5Å; Y883-A901 HydrophobicContact CD1-CB 4.32Å; Y883-A901 PolarHBondContact N-O 2.99Å; Y883-A901 PolarHBondContact O-N 3.3Å
884	I	84	Confident	72.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.2	-179.8	-55.6	-178.6	0	0	0	108.3	L231 L860 Y861 F863 L882 L886 L898 L899 M900	L231-I884 HydrophobicContact CB-CD1 4.28Å; L231-I884 HydrophobicContact CD1-CD1 3.83Å; L231-I884 HydrophobicContact CD1-CG2 4.38Å; L231-I884 HydrophobicContact CD2-CD1 3.58Å; L231-I884 HydrophobicContact CG-CD1 4.09Å; L860-I884 CarbonylContact C-O 3.54Å; L860-I884 VanDerWaalsContact CA-O 3.27Å; L860-I884 WeakPolarHBondContact CA-O 3.45Å; Y861-I884 HydrophobicContact CD2-CG2 4.46Å; Y861-I884 PolarHBondContact N-O 3.25Å; Y861-I884 PolarHBondContact O-N 3.2Å; F863-I884 HydrophobicContact CD2-CD1 4.08Å; F863-I884 HydrophobicContact CE2-CD1 3.83Å; L882-I884 HydrophobicContact CD1-CG1 4.18Å; L882-I884 HydrophobicContact CD2-CD1 3.83Å; L882-I884 HydrophobicContact CD2-CG1 4.23Å; L882-I884 HydrophobicContact CG-CD1 3.98Å; L882-I884 HydrophobicContact CG-CG1 3.82Å; I884-L886 HydrophobicContact CG2-CG 4.49Å; I884-L898 HydrophobicContact CG2-CD1 3.62Å; I884-L899 CarbonylContact C-O 3.54Å; I884-L899 WeakPolarHBondContact CA-O 3.31Å; I884-M900 HydrophobicContact CG1-CG 4.43Å
885	E	82.6	Confident	74.2	Confident	47 Å²	47	39.9 Å²	39.9	22%	0.22	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.3	171.5	179.9	-179.3	158.8	0	0	109.9	Y858 E859 L860 Y883 L898 L899	Y858-E885 HydrophobicContact CD1-CG 4.26Å; Y858-E885 VanDerWaalsContact CD1-OE1 3.3Å; Y858-E885 WeakPolarHBondContact CD1-OE1 3.47Å; E859-E885 CarbonylContact O-C 3.56Å; E859-E885 WeakPolarHBondContact O-CA 3.4Å; L860-E885 HydrophobicContact CD1-CG 4.4Å; L860-E885 HydrophobicContact CG-CB 4.47Å; L860-E885 HydrophobicContact CG-CG 4.23Å; Y883-E885 HydrophobicContact CE1-CB 3.7Å; Y883-E885 PolarHBondContact OH-OE2 3.37Å; E885-L898 WeakPolarHBondContact O-CA 3.11Å; E885-L899 HydrophobicContact CB-CB 4.27Å; E885-L899 PolarHBondContact N-O 3.11Å; E885-L899 PolarHBondContact O-N 3.43Å
886	L	83.9	Confident	75.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.7	174	-71	170.6	0	0	0	109.2	I221 Y858 E859 Y861 I884 Y895 L898	I221-L886 HydrophobicContact CG2-CD2 4.49Å; Y858-L886 CarbonylContact C-O 3.33Å; Y858-L886 VanDerWaalsContact CA-O 3.28Å; Y858-L886 WeakPolarHBondContact CA-O 3.35Å; E859-L886 HydrophobicContact CB-CB 4.18Å; E859-L886 PolarHBondContact N-O 3.03Å; E859-L886 PolarHBondContact O-N 3.5Å; Y861-L886 HydrophobicContact CE2-CD1 4.13Å; I884-L886 HydrophobicContact CG2-CG 4.49Å; L886-Y895 HydrophobicContact CB-CD1 3.79Å; L886-Y895 HydrophobicContact CB-CE1 3.86Å; L886-Y895 HydrophobicContact CD1-CD1 4.43Å; L886-Y895 HydrophobicContact CD1-CE1 4.09Å; L886-Y895 HydrophobicContact CD2-CD1 4.25Å; L886-Y895 HydrophobicContact CD2-CG 4.47Å; L886-Y895 HydrophobicContact CG-CD1 4.41Å; L886-Y895 HydrophobicContact CG-CE1 4.47Å; L886-L898 HydrophobicContact CD2-CB 4.06Å; L886-L898 HydrophobicContact CD2-CD1 3.57Å; L886-L898 HydrophobicContact CD2-CG 4.32Å; L886-L898 HydrophobicContact CG-CD1 4.25Å
887	Y	82.6	Confident	76.4	Confident	54 Å²	54	41.2 Å²	41.2	21%	0.212	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.2	169.7	176.3	-115.7	0	0	0	110.4	N857 Y858 D889 Y895 K896 N897	N857-Y887 VanDerWaalsContact O-CD2 3.3Å; N857-Y887 WeakPolarHBondContact O-CD2 3.38Å; Y858-Y887 AromaticContact CD1-CD2 3.78Å; Y858-Y887 HydrophobicContact CD1-CD2 3.78Å; Y858-Y887 HydrophobicContact CD1-CG 4.39Å; Y858-Y887 HydrophobicContact CD2-CD2 4.28Å; Y858-Y887 AromaticContact CE1-CD2 3.33Å; Y858-Y887 HydrophobicContact CE1-CD2 3.33Å; Y858-Y887 HydrophobicContact CE1-CE2 4.13Å; Y858-Y887 AromaticContact CE1-CG 3.95Å; Y858-Y887 HydrophobicContact CE1-CG 3.95Å; Y858-Y887 AromaticContact CE2-CD2 3.88Å; Y858-Y887 HydrophobicContact CE2-CD2 3.88Å; Y858-Y887 AromaticContact CE2-CE2 4Å; Y858-Y887 HydrophobicContact CE2-CE2 4Å; Y858-Y887 HydrophobicContact CG-CD2 4.23Å; Y858-Y887 AromaticContact CZ-CD2 3.37Å; Y858-Y887 AromaticContact CZ-CE2 3.69Å; Y887-D889 HydrophobicContact CE1-CB 4.08Å; Y887-Y895 WeakPolarHBondContact O-CA 3.2Å; Y887-K896 HydrophobicContact CD1-CB 4Å; Y887-K896 HydrophobicContact CE1-CB 4.43Å; Y887-K896 HydrophobicContact CE1-CD 4.43Å; Y887-K896 PolarHBondContact O-N 2.91Å; Y887-N897 PolarHBondContact N-O 3.01Å
888	Y	80.4	Confident	77.6	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.035	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	118	175	-178.8	-102.9	0	0	0	111	R855 N857 K890 S893 Y895	R855-Y888 VanDerWaalsContact CD-CE1 3.41Å; R855-Y888 HydrophobicContact CG-CD1 3.95Å; R855-Y888 HydrophobicContact CG-CE1 3.9Å; R855-Y888 VanDerWaalsContact NE-CE1 3.3Å; R855-Y888 VanDerWaalsContact NE-CE2 3.27Å; R855-Y888 PolarHBondContact NE-OH 2.96Å; R855-Y888 PolarHBondContact NH1-OH 3.44Å; N857-Y888 PolarHBondContact O-N 3.46Å; Y888-K890 HydrophobicContact CD1-CG 4.21Å; Y888-K890 HydrophobicContact CE1-CG 4.03Å; Y888-S893 WeakPolarHBondContact CE2-O 3.28Å; Y888-S893 WeakPolarHBondContact OH-CA 3.42Å; Y888-S893 WeakPolarHBondContact OH-CB 3.4Å; Y888-S893 PolarHBondContact OH-O 3.28Å; Y888-Y895 HydrophobicContact CD2-CD1 4.19Å; Y888-Y895 HydrophobicContact CD2-CE1 4.2Å; Y888-Y895 HydrophobicContact CD2-CG 4.45Å; Y888-Y895 HydrophobicContact CG-CE1 4.48Å
889	D	77.4	Confident	78.5	Confident	11 Å²	11	38.6 Å²	38.6	6%	0.059	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.2	174.8	174.5	36.6	0	0	0	111.4	Y887 Q891 S892 S893 N894 K896	Y887-D889 HydrophobicContact CE1-CB 4.08Å; D889-Q891 PolarHBondContact O-N 3.09Å; D889-Q891 PolarHBondContact OD1-N 2.8Å; D889-Q891 VanDerWaalsContact OD1-N 3.12Å; D889-S892 WeakPolarHBondContact CB-OG 3.17Å; D889-S892 WeakPolarHBondContact OD2-CB 3.39Å; D889-S892 PolarHBondContact OD2-N 2.94Å; D889-S892 PolarHBondContact OD2-OG 3.43Å; D889-S893 WeakPolarHBondContact O-CA 3.26Å; D889-S893 PolarHBondContact O-N 2.89Å; D889-N894 PolarHBondContact N-O 3.19Å; D889-K896 HydrophobicContact CB-CB 4.5Å; D889-K896 HydrophobicContact CB-CD 3.57Å; D889-K896 HydrophobicContact CB-CG 3.76Å; D889-K896 WeakPolarHBondContact OD2-CE 3.41Å; D889-K896 IonicContact OD2-NZ 3.08Å; D889-K896 PolarHBondContact OD2-NZ 3.26Å
890	K	69.7	Low	79.2	Confident	71 Å²	71	39 Å²	39	31%	0.309	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.4	178.9	-67.4	-177.8	176.2	177.4	0	112.9	N857 Y888	N857-K890 PolarHBondContact OD1-NZ 3.18Å; Y888-K890 HydrophobicContact CD1-CG 4.21Å; Y888-K890 HydrophobicContact CE1-CG 4.03Å
891	Q	70.1	Confident	79.3	Confident	176 Å²	176	38.9 Å²	38.9	82%	0.822	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-52.1	-179.5	-66.1	-177.3	-8.8	0	0	111.7	D889 S893	D889-Q891 PolarHBondContact O-N 3.09Å; D889-Q891 PolarHBondContact OD1-N 2.8Å; D889-Q891 VanDerWaalsContact OD1-N 3.12Å; Q891-S893 VanDerWaalsContact C-N 3.28Å; Q891-S893 PolarHBondContact O-N 2.91Å
892	S	73.8	Confident	79.2	Confident	57 Å²	57	37.7 Å²	37.7	40%	0.399	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11.4	177.1	54.8	0	0	0	0	114.1	D889 N894	D889-S892 WeakPolarHBondContact CB-OG 3.17Å; D889-S892 WeakPolarHBondContact OD2-CB 3.39Å; D889-S892 PolarHBondContact OD2-N 2.94Å; D889-S892 PolarHBondContact OD2-OG 3.43Å; S892-N894 PolarHBondContact O-N 3.04Å
893	S	74.9	Confident	78.9	Confident	62 Å²	62	38.1 Å²	38.1	43%	0.434	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	25.8	-173.3	-61	0	0	0	0	115	Y888 D889 Q891	Y888-S893 WeakPolarHBondContact CE2-O 3.28Å; Y888-S893 WeakPolarHBondContact OH-CA 3.42Å; Y888-S893 WeakPolarHBondContact OH-CB 3.4Å; Y888-S893 PolarHBondContact OH-O 3.28Å; D889-S893 WeakPolarHBondContact O-CA 3.26Å; D889-S893 PolarHBondContact O-N 2.89Å; Q891-S893 VanDerWaalsContact C-N 3.28Å; Q891-S893 PolarHBondContact O-N 2.91Å
894	N	79.9	Confident	78.5	Confident	108 Å²	108	38 Å²	38	58%	0.578	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.4	179.2	-98.7	-8.8	0	0	0	111.3	D889 S892 K896	D889-N894 PolarHBondContact N-O 3.19Å; S892-N894 PolarHBondContact O-N 3.04Å; N894-K896 PolarHBondContact O-N 2.65Å
895	Y	82.1	Confident	77.7	Confident	24 Å²	24	38.3 Å²	38.3	9%	0.094	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.8	166.1	-63.3	-78.2	0	0	0	108.3	I221 T226 E859 L886 Y887 Y888	I221-Y895 VanDerWaalsContact CD1-CB 3.42Å; T226-Y895 HydrophobicContact CG2-CD2 3.63Å; T226-Y895 HydrophobicContact CG2-CE2 3.72Å; E859-Y895 WeakPolarHBondContact OE1-CE1 3.39Å; E859-Y895 PolarHBondContact OE1-OH 3.18Å; L886-Y895 HydrophobicContact CB-CD1 3.79Å; L886-Y895 HydrophobicContact CB-CE1 3.86Å; L886-Y895 HydrophobicContact CD1-CD1 4.43Å; L886-Y895 HydrophobicContact CD1-CE1 4.09Å; L886-Y895 HydrophobicContact CD2-CD1 4.25Å; L886-Y895 HydrophobicContact CD2-CG 4.47Å; L886-Y895 HydrophobicContact CG-CD1 4.41Å; L886-Y895 HydrophobicContact CG-CE1 4.47Å; Y887-Y895 WeakPolarHBondContact O-CA 3.2Å; Y888-Y895 HydrophobicContact CD2-CD1 4.19Å; Y888-Y895 HydrophobicContact CD2-CE1 4.2Å; Y888-Y895 HydrophobicContact CD2-CG 4.45Å; Y888-Y895 HydrophobicContact CG-CE1 4.48Å
896	K	79.4	Confident	76.7	Confident	87 Å²	87	39.3 Å²	39.3	38%	0.378	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-41.4	179.4	-85.2	-171.6	170.3	162.8	0	112.1	G219 Y887 D889 N894	G219-K896 PolarHBondContact N-O 2.78Å; Y887-K896 HydrophobicContact CD1-CB 4Å; Y887-K896 HydrophobicContact CE1-CB 4.43Å; Y887-K896 HydrophobicContact CE1-CD 4.43Å; Y887-K896 PolarHBondContact O-N 2.91Å; D889-K896 HydrophobicContact CB-CB 4.5Å; D889-K896 HydrophobicContact CB-CD 3.57Å; D889-K896 HydrophobicContact CB-CG 3.76Å; D889-K896 WeakPolarHBondContact OD2-CE 3.41Å; D889-K896 IonicContact OD2-NZ 3.08Å; D889-K896 PolarHBondContact OD2-NZ 3.26Å; N894-K896 PolarHBondContact O-N 2.65Å
897	N	79.2	Confident	75.3	Confident	38 Å²	38	43.2 Å²	43.2	20%	0.203	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.8	-174	-54.9	-19	0	0	0	109.6	R216 I217 Y887	R216-N897 PolarHBondContact NH2-ND2 3.16Å; I217-N897 WeakPolarHBondContact O-CA 3.41Å; Y887-N897 PolarHBondContact N-O 3.01Å
898	L	83.1	Confident	73.8	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.9	167.9	165.8	63.5	0	0	0	106.8	I217 I221 C225 I884 E885 L886 M900	I217-L898 HydrophobicContact CB-CB 4.44Å; I217-L898 HydrophobicContact CD1-CD2 4.31Å; I217-L898 PolarHBondContact N-O 3.02Å; I217-L898 PolarHBondContact O-N 3.47Å; I221-L898 HydrophobicContact CD1-CB 3.75Å; I221-L898 HydrophobicContact CG1-CB 3.94Å; I221-L898 HydrophobicContact CG2-CB 4.44Å; I221-L898 HydrophobicContact CG2-CD2 4.18Å; C225-L898 HydrophobicContact CB-CD2 3.85Å; I884-L898 HydrophobicContact CG2-CD1 3.62Å; E885-L898 WeakPolarHBondContact O-CA 3.11Å; L886-L898 HydrophobicContact CD2-CB 4.06Å; L886-L898 HydrophobicContact CD2-CD1 3.57Å; L886-L898 HydrophobicContact CD2-CG 4.32Å; L886-L898 HydrophobicContact CG-CD1 4.25Å; L898-M900 HydrophobicContact CD1-CG 3.77Å; L898-M900 HydrophobicContact CD1-SD 4.33Å; L898-M900 HydrophobicContact CD2-CE 4.17Å; L898-M900 HydrophobicContact CD2-CG 4.34Å; L898-M900 HydrophobicContact CD2-SD 4.01Å; L898-M900 HydrophobicContact CG-CG 3.96Å; L898-M900 HydrophobicContact CG-SD 4.29Å
899	L	79.3	Confident	72.4	Confident	15 Å²	15	49 Å²	49	8%	0.079	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.7	169.6	-175.1	136.7	0	0	0	108.7	W119 C215 R216 Y883 I884 E885	W119-L899 HydrophobicContact CD2-CD2 4.21Å; W119-L899 HydrophobicContact CH2-CD1 3.46Å; W119-L899 VanDerWaalsContact CH2-CD1 3.46Å; W119-L899 HydrophobicContact CH2-CD2 3.67Å; W119-L899 HydrophobicContact CH2-CG 4.15Å; W119-L899 HydrophobicContact CZ2-CD1 3.64Å; W119-L899 HydrophobicContact CZ2-CD2 3.21Å; W119-L899 HydrophobicContact CZ2-CG 4.05Å; W119-L899 HydrophobicContact CZ3-CD1 4.41Å; W119-L899 HydrophobicContact CZ3-CD2 4.31Å; C215-L899 WeakPolarHBondContact O-CA 3.45Å; R216-L899 HydrophobicContact CB-CD1 4.36Å; Y883-L899 HydrophobicContact CD1-CD2 3.91Å; Y883-L899 HydrophobicContact CE1-CD2 3.7Å; I884-L899 CarbonylContact C-O 3.54Å; I884-L899 WeakPolarHBondContact CA-O 3.31Å; E885-L899 HydrophobicContact CB-CB 4.27Å; E885-L899 PolarHBondContact N-O 3.11Å; E885-L899 PolarHBondContact O-N 3.43Å
900	M	81.4	Confident	71	Confident	23 Å²	23	49.4 Å²	49.4	11%	0.113	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	132	176.5	-68.6	-175.8	-59.6	0	0	107.6	S214 C215 I217 Y883 I884 L898 F911	S214-M900 CarbonylContact C-O 3.52Å; S214-M900 VanDerWaalsContact CA-O 3.23Å; S214-M900 WeakPolarHBondContact CA-O 3.48Å; C215-M900 PolarHBondContact N-O 3.31Å; C215-M900 PolarHBondContact O-N 2.94Å; I217-M900 HydrophobicContact CD1-CE 3.89Å; Y883-M900 CarbonylContact O-C 3.46Å; Y883-M900 WeakPolarHBondContact O-CA 3.38Å; I884-M900 HydrophobicContact CG1-CG 4.43Å; L898-M900 HydrophobicContact CD1-CG 3.77Å; L898-M900 HydrophobicContact CD1-SD 4.33Å; L898-M900 HydrophobicContact CD2-CE 4.17Å; L898-M900 HydrophobicContact CD2-CG 4.34Å; L898-M900 HydrophobicContact CD2-SD 4.01Å; L898-M900 HydrophobicContact CG-CG 3.96Å; L898-M900 HydrophobicContact CG-SD 4.29Å; M900-F911 HydrophobicContact CB-CE1 4.3Å; M900-F911 HydrophobicContact CB-CZ 3.74Å; M900-F911 HydrophobicContact CE-CE1 3.78Å; M900-F911 HydrophobicContact CE-CZ 4.3Å
901	A	78	Confident	69.5	Low	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.8	174.6	0	0	0	0	0	108.8	W119 F120 T213 L882 Y883	W119-A901 HydrophobicContact CB-CB 3.64Å; W119-A901 HydrophobicContact CD2-CB 3.88Å; W119-A901 HydrophobicContact CE3-CB 3.87Å; W119-A901 HydrophobicContact CG-CB 3.85Å; F120-A901 HydrophobicContact CE1-CB 4.12Å; T213-A901 CarbonylContact O-C 3.57Å; T213-A901 VanDerWaalsContact O-CA 3.22Å; T213-A901 WeakPolarHBondContact O-CA 3.47Å; L882-A901 CarbonylContact C-O 3.51Å; Y883-A901 WeakPolarHBondContact CA-O 3.5Å; Y883-A901 HydrophobicContact CD1-CB 4.32Å; Y883-A901 PolarHBondContact N-O 2.99Å; Y883-A901 PolarHBondContact O-N 3.3Å
902	G	76.7	Confident	69.5	Low	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	158.7	176.8	0	0	0	0	0	114.1	F120 T213 R881	F120-G902 WeakPolarHBondContact CE1-O 3.29Å; T213-G902 PolarHBondContact N-O 2.88Å; T213-G902 PolarHBondContact O-N 3.16Å; R881-G902 CarbonylContact O-C 3.6Å; R881-G902 WeakPolarHBondContact O-CA 3.31Å
903	S	76.4	Confident	69.3	Low	11 Å²	11	45.5 Å²	45.5	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.6	173.5	56.9	0	0	0	0	108.4	F120 D211 F212 H880 R881	F120-S903 PolarHBondContact O-OG 2.84Å; D211-S903 WeakPolarHBondContact O-CA 3.37Å; F212-S903 VanDerWaalsContact CE1-CB 3.49Å; H880-S903 WeakPolarHBondContact CA-O 3.46Å; R881-S903 WeakPolarHBondContact CB-OG 3.43Å; R881-S903 PolarHBondContact N-O 2.92Å; R881-S903 VanDerWaalsContact N-O 3.08Å; R881-S903 PolarHBondContact O-N 2.81Å
904	F	74.1	Confident	69	Low	2 Å²	2	44.6 Å²	44.6	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.2	-175.8	-58.5	-92.9	0	0	0	110.1	I210 D211 F235 H880 L882 H906 T908 F910	I210-F904 CarbonylContact C-O 3.57Å; I210-F904 WeakPolarHBondContact CA-O 3.48Å; D211-F904 PolarHBondContact N-O 2.88Å; D211-F904 PolarHBondContact O-N 2.69Å; F235-F904 HydrophobicContact CD2-CE1 4.26Å; F235-F904 HydrophobicContact CD2-CZ 4.49Å; F235-F904 AromaticContact CE2-CE1 3.73Å; F235-F904 HydrophobicContact CE2-CE1 3.73Å; F235-F904 HydrophobicContact CE2-CZ 4.12Å; H880-F904 HydrophobicContact CB-CD1 4.28Å; H880-F904 AromaticContact CD2-CD1 3.72Å; L882-F904 HydrophobicContact CB-CZ 4.22Å; L882-F904 HydrophobicContact CD1-CZ 4.49Å; F904-H906 PolarHBondContact O-N 2.87Å; F904-T908 HydrophobicContact CB-CG2 3.97Å; F904-T908 WeakPolarHBondContact CB-OG1 3.29Å; F904-T908 HydrophobicContact CD1-CG2 4.42Å; F904-F910 HydrophobicContact CD1-CD2 4.3Å; F904-F910 HydrophobicContact CD2-CB 4.15Å; F904-F910 HydrophobicContact CD2-CD2 4.05Å; F904-F910 AromaticContact CD2-CG 3.97Å; F904-F910 HydrophobicContact CD2-CG 3.97Å; F904-F910 AromaticContact CE1-CD2 3.74Å; F904-F910 HydrophobicContact CE1-CD2 3.74Å; F904-F910 AromaticContact CE1-CE2 3.79Å; F904-F910 HydrophobicContact CE1-CE2 3.79Å; F904-F910 HydrophobicContact CE2-CB 4.13Å; F904-F910 AromaticContact CE2-CD1 3.74Å; F904-F910 HydrophobicContact CE2-CD1 3.74Å; F904-F910 AromaticContact CE2-CD2 3.39Å; F904-F910 HydrophobicContact CE2-CD2 3.39Å; F904-F910 AromaticContact CE2-CE1 3.99Å; F904-F910 HydrophobicContact CE2-CE1 3.99Å; F904-F910 AromaticContact CE2-CE2 3.67Å; F904-F910 HydrophobicContact CE2-CE2 3.67Å; F904-F910 AromaticContact CE2-CG 3.44Å; F904-F910 HydrophobicContact CE2-CG 3.44Å; F904-F910 VanDerWaalsContact CE2-CG 3.44Å; F904-F910 AromaticContact CE2-CZ 3.97Å; F904-F910 HydrophobicContact CE2-CZ 3.97Å; F904-F910 HydrophobicContact CG-CD2 4.48Å; F904-F910 HydrophobicContact CZ-CD1 4.25Å; F904-F910 AromaticContact CZ-CD2 3.26Å; F904-F910 HydrophobicContact CZ-CD2 3.26Å; F904-F910 HydrophobicContact CZ-CE1 4.17Å; F904-F910 AromaticContact CZ-CE2 3.16Å; F904-F910 HydrophobicContact CZ-CE2 3.16Å; F904-F910 AromaticContact CZ-CG 3.85Å; F904-F910 HydrophobicContact CZ-CG 3.85Å; F904-F910 AromaticContact CZ-CZ 3.66Å; F904-F910 HydrophobicContact CZ-CZ 3.66Å
905	S	67.9	Low	68.3	Low	6 Å²	6	40.8 Å²	40.8	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	138.6	168.9	61.3	0	0	0	0	110.3	N209 D907 T908	N209-S905 CarbonylContact O-C 3.51Å; N209-S905 WeakPolarHBondContact O-CA 3.43Å; S905-D907 PolarHBondContact O-N 2.81Å; S905-T908 PolarHBondContact O-N 2.97Å; S905-T908 PolarHBondContact O-OG1 3.28Å
906	H	60.1	Low	67.5	Low	68 Å²	68	41.9 Å²	41.9	32%	0.315	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-22.8	-175.1	-175.1	-76.7	0	0	0	115.8	E149 N209 D211 F904 T908	E149-H906 IonicContact OE1-NE2 3.99Å; N209-H906 HydrophobicContact CB-CB 3.56Å; N209-H906 WeakPolarHBondContact O-CB 3.45Å; N209-H906 PolarHBondContact O-N 3.35Å; D211-H906 IonicContact OD1-CD2 2.68Å; D211-H906 PolarHBondContact OD1-CD2 3.3Å; D211-H906 IonicContact OD1-CG 2.9Å; D211-H906 WeakPolarHBondContact OD2-CA 3.42Å; D211-H906 IonicContact OD2-CD2 3.11Å; D211-H906 IonicContact OD2-CG 3.15Å; F904-H906 PolarHBondContact O-N 2.87Å; H906-T908 PolarHBondContact O-N 2.73Å; H906-T908 VanDerWaalsContact O-N 3.16Å
907	D	55.9	Low	66.7	Low	82 Å²	82	38.9 Å²	38.9	44%	0.439	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	7.5	174.1	-60	-38	0	0	0	114.8	S875 S905	S875-D907 WeakPolarHBondContact CB-OD2 3.36Å; S875-D907 PolarHBondContact OG-OD2 3.11Å; S905-D907 PolarHBondContact O-N 2.81Å
908	T	51.1	Low	65.8	Low	12 Å²	12	38.9 Å²	38.9	7%	0.074	19%	0.188	C	C	.	.			trans	-99.2	112	174.9	57.8	0	0	0	0	111.6	R876 F904 S905 H906 F910	R876-T908 HydrophobicContact CG-CG2 4.36Å; F904-T908 HydrophobicContact CB-CG2 3.97Å; F904-T908 WeakPolarHBondContact CB-OG1 3.29Å; F904-T908 HydrophobicContact CD1-CG2 4.42Å; S905-T908 PolarHBondContact O-N 2.97Å; S905-T908 PolarHBondContact O-OG1 3.28Å; H906-T908 PolarHBondContact O-N 2.73Å; H906-T908 VanDerWaalsContact O-N 3.16Å; T908-F910 VanDerWaalsContact C-N 3.25Å; T908-F910 PolarHBondContact O-N 2.84Å
909	Q	49.7	Very low	64.5	Low	173 Å²	173	41.6 Å²	41.6	81%	0.808	20%	0.201	S	C	*	.			trans	-73	83.4	160.3	-69.5	-179.3	-9.4	0	0	109.2	K238	K238-Q909 PolarHBondContact NZ-O 3.42Å
910	F	48.1	Very low	63.2	Low	18 Å²	18	43.8 Å²	43.8	8%	0.079	21%	0.211	C	C	.	.			trans	-77.1	-44.8	179	-161.7	-100.5	0	0	0	111.8	K238 L882 F904 T908	K238-F910 HydrophobicContact CB-CD2 4.11Å; K238-F910 HydrophobicContact CB-CE2 4.03Å; K238-F910 HydrophobicContact CG-CD2 4.2Å; K238-F910 HydrophobicContact CG-CE2 4.07Å; K238-F910 PolarHBondContact NZ-O 2.76Å; L882-F910 HydrophobicContact CD1-CE1 3.73Å; L882-F910 HydrophobicContact CD1-CE2 4.49Å; L882-F910 HydrophobicContact CD1-CZ 3.46Å; L882-F910 VanDerWaalsContact CD1-CZ 3.46Å; L882-F910 HydrophobicContact CD2-CZ 3.89Å; L882-F910 HydrophobicContact CG-CZ 4.25Å; F904-F910 HydrophobicContact CD1-CD2 4.3Å; F904-F910 HydrophobicContact CD2-CB 4.15Å; F904-F910 HydrophobicContact CD2-CD2 4.05Å; F904-F910 AromaticContact CD2-CG 3.97Å; F904-F910 HydrophobicContact CD2-CG 3.97Å; F904-F910 AromaticContact CE1-CD2 3.74Å; F904-F910 HydrophobicContact CE1-CD2 3.74Å; F904-F910 AromaticContact CE1-CE2 3.79Å; F904-F910 HydrophobicContact CE1-CE2 3.79Å; F904-F910 HydrophobicContact CE2-CB 4.13Å; F904-F910 AromaticContact CE2-CD1 3.74Å; F904-F910 HydrophobicContact CE2-CD1 3.74Å; F904-F910 AromaticContact CE2-CD2 3.39Å; F904-F910 HydrophobicContact CE2-CD2 3.39Å; F904-F910 AromaticContact CE2-CE1 3.99Å; F904-F910 HydrophobicContact CE2-CE1 3.99Å; F904-F910 AromaticContact CE2-CE2 3.67Å; F904-F910 HydrophobicContact CE2-CE2 3.67Å; F904-F910 AromaticContact CE2-CG 3.44Å; F904-F910 HydrophobicContact CE2-CG 3.44Å; F904-F910 VanDerWaalsContact CE2-CG 3.44Å; F904-F910 AromaticContact CE2-CZ 3.97Å; F904-F910 HydrophobicContact CE2-CZ 3.97Å; F904-F910 HydrophobicContact CG-CD2 4.48Å; F904-F910 HydrophobicContact CZ-CD1 4.25Å; F904-F910 AromaticContact CZ-CD2 3.26Å; F904-F910 HydrophobicContact CZ-CD2 3.26Å; F904-F910 HydrophobicContact CZ-CE1 4.17Å; F904-F910 AromaticContact CZ-CE2 3.16Å; F904-F910 HydrophobicContact CZ-CE2 3.16Å; F904-F910 AromaticContact CZ-CG 3.85Å; F904-F910 HydrophobicContact CZ-CG 3.85Å; F904-F910 AromaticContact CZ-CZ 3.66Å; F904-F910 HydrophobicContact CZ-CZ 3.66Å; T908-F910 VanDerWaalsContact C-N 3.25Å; T908-F910 PolarHBondContact O-N 2.84Å
911	F	39.5	Very low	61.6	Low	131 Å²	131	45.7 Å²	45.7	58%	0.575	22%	0.22	S	C	*	.			trans	-108.5	0	-176.7	-79.3	-71.1	0	0	0	115.2	T213 C215 M900	T213-F911 HydrophobicContact CG2-CD2 4.48Å; T213-F911 VanDerWaalsContact OG1-CD2 3.28Å; T213-F911 WeakPolarHBondContact OG1-CD2 3.48Å; T213-F911 WeakPolarHBondContact OG1-CE2 3.46Å; C215-F911 HydrophobicContact CB-CD1 3.48Å; C215-F911 VanDerWaalsContact CB-CD1 3.48Å; C215-F911 HydrophobicContact CB-CD2 4.42Å; C215-F911 HydrophobicContact CB-CE1 3.04Å; C215-F911 HydrophobicContact CB-CE2 4.04Å; C215-F911 HydrophobicContact CB-CG 4.16Å; C215-F911 HydrophobicContact CB-CZ 3.36Å; M900-F911 HydrophobicContact CB-CE1 4.3Å; M900-F911 HydrophobicContact CB-CZ 3.74Å; M900-F911 HydrophobicContact CE-CE1 3.78Å; M900-F911 HydrophobicContact CE-CZ 4.3Å

Retrieved 911 of 911 residues in 691.5 ms (Link to these results)

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