A0A087Y9J3_POEFO Loading...

Serotransferrin

Involved in iron cellular uptake. Seems to be internalized and then recycled back to the cell membrane. Binds a single atom of iron per subunit. Could also bind zinc. Transferrins are iron binding transport proteins which bind Fe(3+) ion in association with the binding of an anion, usually bicarbonate.

AlphaFold DB , UniProt , Accession A0A087Y9J3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 721 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.3	Very low	44.2	Very low	234 Å²	234	149.8 Å²	149.8	100%	1.153	80%	0.804	S	S	*	*				0	77.5	0	-74.8	170.9	112.6	0	0	109.4
2	T	46.9	Very low	44	Very low	150 Å²	150	149.2 Å²	149.2	92%	0.92	80%	0.799	S	S	*	*			trans	-168.9	36.5	166.2	25.2	0	0	0	0	109
3	T	44	Very low	43.8	Very low	124 Å²	124	149 Å²	149	76%	0.761	80%	0.797	S	S	*	*			trans	-114.3	98.4	170.5	34.4	0	0	0	0	105.2
4	W	42.8	Very low	43.9	Very low	252 Å²	252	150 Å²	150	96%	0.955	80%	0.801	S	S	*	*	S	Bend	trans	156	19.7	160.1	-86.6	16.7	0	0	0	117.2
5	K	45.5	Very low	43.6	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	80%	0.795	S	S	*	*	S	Bend	trans	-123.3	2.9	174.9	-74.3	-164.2	177.1	-174.9	0	117.7
6	I	47.1	Very low	43.2	Very low	141 Å²	141	143.7 Å²	143.7	72%	0.723	79%	0.791	S	S	*	*	S	Bend	trans	-117.6	-11.2	-177.2	-55.6	-179.5	0	0	0	113.5	G8	I6-G8 VanDerWaalsContact C-N 3.33Å; I6-G8 PolarHBondContact O-N 3.13Å
7	V	44.2	Very low	42.9	Very low	123 Å²	123	143.5 Å²	143.5	75%	0.745	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-12.1	176.2	-175.1	0	0	0	0	112.7
8	G	40.7	Very low	42.8	Very low	60 Å²	60	146.1 Å²	146.1	62%	0.619	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-10.2	179.5	0	0	0	0	0	116	I6	I6-G8 VanDerWaalsContact C-N 3.33Å; I6-G8 PolarHBondContact O-N 3.13Å
9	A	42.9	Very low	42.8	Very low	65 Å²	65	143.4 Å²	143.4	54%	0.537	79%	0.789	S	S	.	*	S	Bend	trans	-108.3	-10.1	-172.5	0	0	0	0	0	114.7
10	L	41.2	Very low	43.2	Very low	153 Å²	153	143.9 Å²	143.9	80%	0.801	79%	0.785	S	S	*	*	S	Bend	trans	-104.5	1	177.5	-103.6	105.1	0	0	0	114.7
11	L	43.3	Very low	44.5	Very low	144 Å²	144	140.5 Å²	140.5	75%	0.754	76%	0.764	S	S	*	*	S	Bend	trans	-106.5	12	176.1	-101.8	149.9	0	0	0	113.6
12	L	42.1	Very low	46.3	Very low	142 Å²	142	132.1 Å²	132.1	74%	0.743	73%	0.726	S	S	*	*	S	Bend	trans	-124.1	16.3	178.5	-81.4	170	0	0	0	114.3
13	L	42	Very low	48.2	Very low	147 Å²	147	125 Å²	125	77%	0.77	68%	0.683	S	S	*	*	S	Bend	trans	-121.7	21.4	177.8	-77	174.5	0	0	0	115.3
14	L	44.1	Very low	50.4	Low	163 Å²	163	122.7 Å²	122.7	85%	0.853	66%	0.66	S	S	*	*	S	Bend	trans	-150	102.3	159.3	-78.4	167.7	0	0	0	105.6
15	P	39.4	Very low	52.7	Low	110 Å²	110	110.7 Å²	110.7	71%	0.714	61%	0.614	S	S	*	*	S	Bend		-138.1	102.7	50.3	35.1	-14.1	0	0	0	112.5
16	A	38.4	Very low	54.9	Low	89 Å²	89	101.2 Å²	101.2	74%	0.736	57%	0.573	S	S	*	*			trans	-136.1	41.3	173.8	0	0	0	0	0	112.1
17	V	37.1	Very low	57.1	Low	140 Å²	140	94.5 Å²	94.5	85%	0.848	54%	0.539	S	S	*	.			trans	-137.5	45.4	158	-163.4	0	0	0	0	108.7	C19	V17-C19 VanDerWaalsContact C-N 3.31Å; V17-C19 PolarHBondContact O-N 3.05Å
18	F	41.1	Very low	59.3	Low	191 Å²	191	90.9 Å²	90.9	84%	0.838	52%	0.517	S	S	*	.			trans	-84.1	91.8	150.4	-92.8	-83.4	0	0	0	105.4	Q20	F18-Q20 PolarHBondContact O-N 2.81Å
19	C	44	Very low	61.5	Low	95 Å²	95	89.8 Å²	89.8	64%	0.642	50%	0.5	S	S	*	.			trans	-51.3	107.9	168.1	-162.1	0	0	0	0	106.9	V17 Q21	V17-C19 VanDerWaalsContact C-N 3.31Å; V17-C19 PolarHBondContact O-N 3.05Å; C19-Q21 HydrophobicContact CB-CG 4.19Å; C19-Q21 PolarHBondContact O-N 3.29Å
20	Q	50.4	Low	63.8	Low	152 Å²	152	92.3 Å²	92.3	71%	0.71	50%	0.5	S	S	*	.			trans	-67.2	78.5	171.8	-96.3	179.5	-42.6	0	0	107.8	F18 T22	F18-Q20 PolarHBondContact O-N 2.81Å; Q20-T22 PolarHBondContact O-N 3.21Å
21	Q	70.3	Confident	66.1	Low	74 Å²	74	87.3 Å²	87.3	35%	0.346	48%	0.477	S	S	.	.			trans	-76.8	106.7	-179.8	-89.4	-173.4	-24.7	0	0	109	C19 P50 H279 H280	C19-Q21 HydrophobicContact CB-CG 4.19Å; C19-Q21 PolarHBondContact O-N 3.29Å; Q21-P50 WeakPolarHBondContact O-CB 3.27Å; Q21-H279 PolarHBondContact NE2-O 3.24Å; Q21-H280 VanDerWaalsContact CB-CE1 3.46Å; Q21-H280 WeakPolarHBondContact CB-CE1 3.37Å; Q21-H280 VanDerWaalsContact CD-ND1 3.27Å; Q21-H280 PolarHBondContact OE1-CE1 3.37Å; Q21-H280 VanDerWaalsContact OE1-CE1 3.3Å; Q21-H280 PolarHBondContact OE1-ND1 3.45Å
22	T	83.8	Confident	68.2	Low	58 Å²	58	81.4 Å²	81.4	36%	0.356	45%	0.446	S	S	.	.			trans	-74.8	133.7	175.2	-64.9	0	0	0	0	110.7	Q20 S51 S53	Q20-T22 PolarHBondContact O-N 3.21Å; T22-S51 CarbonylContact C-O 3.43Å; T22-S51 WeakPolarHBondContact CA-O 3.48Å; T22-S51 WeakPolarHBondContact CG2-O 3.42Å; T22-S51 PolarHBondContact OG1-OG 2.61Å; T22-S51 VanDerWaalsContact OG1-OG 3.13Å; T22-S53 WeakPolarHBondContact CG2-OG 3.39Å
23	I	87	Confident	70.7	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.8	173.1	-62.5	166.9	0	0	0	109.1	W25 P50 S51 I52 S53 D73 A74 I285 V288	I23-W25 PolarHBondContact O-N 3.33Å; I23-P50 HydrophobicContact CD1-CG 3.71Å; I23-P50 HydrophobicContact CG1-CG 3.88Å; I23-S51 PolarHBondContact N-O 2.64Å; I23-I52 HydrophobicContact CB-CG1 4.47Å; I23-I52 CarbonylContact O-C 3.59Å; I23-I52 WeakPolarHBondContact O-CA 3.36Å; I23-S53 PolarHBondContact O-N 3.33Å; I23-D73 HydrophobicContact CG2-CB 4.32Å; I23-A74 HydrophobicContact CG2-CB 4.12Å; I23-I285 HydrophobicContact CD1-CG1 4.06Å; I23-V288 HydrophobicContact CD1-CB 4.41Å; I23-V288 HydrophobicContact CD1-CG1 4.38Å; I23-V288 HydrophobicContact CD1-CG2 4.15Å
24	R	91.1	Very high	73.2	Confident	74 Å²	74	74.5 Å²	74.5	28%	0.279	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.6	175.5	-60.3	165.3	-66.1	167.6	1.8	110.2	S53 K70 E71 D73 A74	R24-S53 CarbonylContact C-O 3.58Å; R24-S53 WeakPolarHBondContact CA-O 3.42Å; R24-S53 WeakPolarHBondContact CA-OG 3.24Å; R24-S53 WeakPolarHBondContact CG-OG 3.46Å; R24-K70 PolarHBondContact NH1-O 2.87Å; R24-K70 PolarHBondContact NH2-O 3.32Å; R24-E71 WeakPolarHBondContact CD-O 3.48Å; R24-E71 VanDerWaalsContact NH1-C 3.3Å; R24-E71 PolarHBondContact NH1-O 3.03Å; R24-D73 VanDerWaalsContact CB-OD2 3.23Å; R24-D73 WeakPolarHBondContact CB-OD2 3.33Å; R24-D73 WeakPolarHBondContact CG-OD2 3.35Å; R24-D73 IonicContact CZ-OD1 3.49Å; R24-D73 IonicContact CZ-OD2 2.85Å; R24-D73 PolarHBondContact N-OD2 3.06Å; R24-D73 IonicContact NE-OD1 3.93Å; R24-D73 PolarHBondContact NE-OD1 3.27Å; R24-D73 IonicContact NE-OD2 3.64Å; R24-D73 PolarHBondContact NE-OD2 3Å; R24-D73 IonicContact NH2-OD1 3.51Å; R24-D73 PolarHBondContact NH2-OD1 3.27Å; R24-D73 IonicContact NH2-OD2 2.73Å; R24-D73 PolarHBondContact O-N 3.04Å; R24-A74 PolarHBondContact O-N 3.18Å; R24-A74 VanDerWaalsContact O-N 3.14Å
25	W	90.8	Very high	75.5	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.3	179.1	-160.5	-75.4	0	0	0	111.7	I23 I52 S53 C54 T55 A74 L273 V274 L289 F314	I23-W25 PolarHBondContact O-N 3.33Å; W25-I52 HydrophobicContact CB-CG2 3.98Å; W25-S53 PolarHBondContact N-O 3.12Å; W25-C54 CarbonylContact O-C 3.54Å; W25-C54 WeakPolarHBondContact O-CA 3.49Å; W25-T55 PolarHBondContact O-N 2.83Å; W25-A74 CarbonylContact C-O 3.4Å; W25-A74 WeakPolarHBondContact CA-O 3.36Å; W25-A74 HydrophobicContact CD2-CB 4.09Å; W25-A74 HydrophobicContact CE3-CB 3.74Å; W25-A74 HydrophobicContact CZ3-CB 4.29Å; W25-L273 HydrophobicContact CH2-CD1 4.03Å; W25-L273 HydrophobicContact CH2-CD2 4.15Å; W25-L273 HydrophobicContact CH2-CG 4.27Å; W25-L273 HydrophobicContact CZ2-CD1 3.86Å; W25-V274 HydrophobicContact CD2-CG2 4.48Å; W25-V274 HydrophobicContact CE3-CG2 4.29Å; W25-V274 HydrophobicContact CH2-CB 4.4Å; W25-V274 HydrophobicContact CH2-CG2 3.34Å; W25-V274 HydrophobicContact CZ2-CG2 3.5Å; W25-V274 VanDerWaalsContact CZ2-CG2 3.5Å; W25-V274 HydrophobicContact CZ3-CG2 3.74Å; W25-L289 HydrophobicContact CH2-CD1 4.48Å; W25-L289 HydrophobicContact CH2-CD2 4Å; W25-L289 HydrophobicContact CZ3-CD2 4.08Å; W25-F314 AromaticContact CH2-CE1 3.67Å; W25-F314 HydrophobicContact CH2-CE1 3.67Å; W25-F314 AromaticContact CH2-CZ 3.67Å; W25-F314 HydrophobicContact CH2-CZ 3.67Å; W25-F314 AromaticContact CZ2-CE1 3.65Å; W25-F314 HydrophobicContact CZ2-CE1 3.65Å; W25-F314 AromaticContact CZ2-CZ 3.74Å; W25-F314 HydrophobicContact CZ2-CZ 3.74Å
26	C	92.9	Very high	78.1	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.014	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.2	177.3	-155.5	0	0	0	0	111.6	T55 S57 C63 V72 A74 L75	C26-T55 CarbonylContact C-O 3.53Å; C26-T55 VanDerWaalsContact CA-O 3.27Å; C26-T55 WeakPolarHBondContact CA-O 3.46Å; C26-S57 PolarHBondContact SG-OG 3.06Å; C26-C63 HydrophobicContact CB-CB 3.7Å; C26-C63 WeakPolarHBondContact CB-SG 3.26Å; C26-C63 WeakPolarHBondContact SG-CA 3.47Å; C26-C63 WeakPolarHBondContact SG-CB 3.41Å; C26-C63 CovalentContact SG-SG 2.03Å; C26-C63 PolarHBondContact SG-SG 2.94Å; C26-V72 HydrophobicContact CB-CB 4.18Å; C26-V72 HydrophobicContact CB-CG1 3.99Å; C26-V72 HydrophobicContact CB-CG2 4.08Å; C26-A74 PolarHBondContact N-O 3.44Å; C26-L75 HydrophobicContact CB-CB 3.97Å
27	T	92.6	Very high	80.8	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	153.4	176	66.9	0	0	0	0	110.2	E32 Q33 C36 T55 K56 S57 L313	T27-E32 HydrophobicContact CG2-CG 3.97Å; T27-Q33 WeakPolarHBondContact OG1-CB 3.36Å; T27-Q33 PolarHBondContact OG1-OE1 3.09Å; T27-C36 HydrophobicContact CG2-CB 3.74Å; T27-T55 PolarHBondContact N-O 3.19Å; T27-K56 CarbonylContact O-C 3.53Å; T27-S57 PolarHBondContact O-N 2.95Å; T27-L313 HydrophobicContact CG2-CD2 3.98Å
28	V	89.4	Confident	83.5	Confident	48 Å²	48	57.4 Å²	57.4	29%	0.291	29%	0.287	S	S	.	.	S	Bend	trans	-115.2	-1.3	-174.3	-60.2	0	0	0	0	114	E32 S57 V60	V28-E32 WeakPolarHBondContact CG2-OE2 3.38Å; V28-E32 PolarHBondContact N-OE2 3.25Å; V28-S57 CarbonylContact C-O 3.59Å; V28-S57 WeakPolarHBondContact CA-O 3.39Å; V28-V60 HydrophobicContact CG1-CB 4.46Å; V28-V60 HydrophobicContact CG1-CG2 3.83Å; V28-V60 HydrophobicContact CG2-CG2 4.39Å
29	S	88.1	Confident	85.9	Confident	37 Å²	37	48.3 Å²	48.3	26%	0.259	25%	0.247	S	C	.	.	S	Bend	trans	-145.3	160.8	178.5	71.9	0	0	0	0	112.7	E32 Q33	S29-E32 PolarHBondContact O-N 2.81Å; S29-E32 WeakPolarHBondContact OG-CB 3.46Å; S29-E32 PolarHBondContact OG-N 3.42Å; S29-Q33 WeakPolarHBondContact O-CB 3.46Å; S29-Q33 PolarHBondContact O-N 2.78Å
30	E	90.8	Very high	88.1	Confident	117 Å²	117	44.8 Å²	44.8	55%	0.547	22%	0.224	S	C	.	.	H	α-helix	trans	-61.2	-45.7	175.1	-71.2	-66.3	168	0	0	113.1	E32 Q33 K34 K56	E30-E32 VanDerWaalsContact C-N 3.27Å; E30-E32 PolarHBondContact O-N 3.19Å; E30-Q33 PolarHBondContact O-N 3.38Å; E30-K34 PolarHBondContact O-N 3.34Å; E30-K56 VanDerWaalsContact CD-NZ 3.32Å; E30-K56 WeakPolarHBondContact OE1-CE 3.11Å; E30-K56 IonicContact OE1-NZ 2.83Å; E30-K56 PolarHBondContact OE1-NZ 2.98Å
31	P	89.8	Confident	90.1	Very high	49 Å²	49	43 Å²	43	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-39.4	174.9	-26.3	36.7	0	0	0	113	K34 K35 L312	P31-K34 PolarHBondContact O-N 2.67Å; P31-K35 WeakPolarHBondContact O-CB 3.23Å; P31-K35 PolarHBondContact O-N 2.86Å; P31-L312 HydrophobicContact CB-CD1 3.64Å; P31-L312 HydrophobicContact CB-CD2 4.02Å
32	E	87.6	Confident	91.1	Very high	19 Å²	19	40.1 Å²	40.1	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-71	-41.2	179.6	-170.7	177.9	-152	0	0	112.4	T27 V28 S29 E30 K34 K35 C36 L312 L313	T27-E32 HydrophobicContact CG2-CG 3.97Å; V28-E32 WeakPolarHBondContact CG2-OE2 3.38Å; V28-E32 PolarHBondContact N-OE2 3.25Å; S29-E32 PolarHBondContact O-N 2.81Å; S29-E32 WeakPolarHBondContact OG-CB 3.46Å; S29-E32 PolarHBondContact OG-N 3.42Å; E30-E32 VanDerWaalsContact C-N 3.27Å; E30-E32 PolarHBondContact O-N 3.19Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.44Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-C36 WeakPolarHBondContact O-CB 3.48Å; E32-C36 PolarHBondContact O-N 2.91Å; E32-L312 HydrophobicContact CB-CD2 4.3Å; E32-L313 HydrophobicContact CG-CD2 3.39Å; E32-L313 HydrophobicContact CG-CG 3.79Å; E32-L313 WeakPolarHBondContact OE1-CA 3.23Å; E32-L313 PolarHBondContact OE1-N 3.04Å
33	Q	94.1	Very high	91.3	Very high	18 Å²	18	37.3 Å²	37.3	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-44.6	173.2	-179.8	63.5	14	0	0	111.1	T27 S29 E30 C36 Q37 C54 K56	T27-Q33 WeakPolarHBondContact OG1-CB 3.36Å; T27-Q33 PolarHBondContact OG1-OE1 3.09Å; S29-Q33 WeakPolarHBondContact O-CB 3.46Å; S29-Q33 PolarHBondContact O-N 2.78Å; E30-Q33 PolarHBondContact O-N 3.38Å; Q33-C36 PolarHBondContact O-N 2.84Å; Q33-Q37 WeakPolarHBondContact O-CG 3.3Å; Q33-Q37 PolarHBondContact O-N 3.43Å; Q33-C54 PolarHBondContact NE2-O 3.44Å; Q33-K56 HydrophobicContact CB-CG 4.5Å; Q33-K56 HydrophobicContact CG-CB 4.28Å
34	K	94.1	Very high	91.3	Very high	126 Å²	126	39.6 Å²	39.6	55%	0.548	20%	0.203	S	C	.	.	H	α-helix	trans	-63.2	-47	176.9	-171.9	174.3	178.6	169.8	0	111.8	E30 P31 E32 C36 Q37 D38 Y307	E30-K34 PolarHBondContact O-N 3.34Å; P31-K34 PolarHBondContact O-N 2.67Å; E32-K34 VanDerWaalsContact C-N 3.31Å; E32-K34 PolarHBondContact O-N 3.44Å; K34-C36 VanDerWaalsContact C-N 3.28Å; K34-C36 PolarHBondContact O-N 2.88Å; K34-Q37 PolarHBondContact O-N 3.23Å; K34-D38 PolarHBondContact O-N 3.25Å; K34-Y307 HydrophobicContact CB-CD1 4.4Å; K34-Y307 HydrophobicContact CB-CE1 4.49Å; K34-Y307 HydrophobicContact CD-CD1 4.39Å; K34-Y307 HydrophobicContact CD-CE1 4.47Å; K34-Y307 HydrophobicContact CG-CD1 4.26Å; K34-Y307 HydrophobicContact CG-CE1 4.07Å
35	K	93.1	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-39.3	175.7	-172.2	178.9	178.5	-178.5	0	111.8	P31 E32 D38 M39 F299 M301 S303 S304 Y307 L312 L313	P31-K35 WeakPolarHBondContact O-CB 3.23Å; P31-K35 PolarHBondContact O-N 2.86Å; E32-K35 PolarHBondContact O-N 3.07Å; K35-D38 PolarHBondContact O-N 3.17Å; K35-M39 VanDerWaalsContact O-CB 3.31Å; K35-M39 WeakPolarHBondContact O-CB 3.48Å; K35-M39 PolarHBondContact O-N 3.34Å; K35-F299 HydrophobicContact CG-CZ 4.18Å; K35-M301 WeakPolarHBondContact CE-O 3.39Å; K35-M301 PolarHBondContact NZ-O 2.9Å; K35-M301 VanDerWaalsContact NZ-O 3.11Å; K35-S303 WeakPolarHBondContact CE-O 2.81Å; K35-S303 PolarHBondContact NZ-O 2.93Å; K35-S303 VanDerWaalsContact NZ-O 3.12Å; K35-S304 PolarHBondContact NZ-OG 3Å; K35-S304 VanDerWaalsContact NZ-OG 3.14Å; K35-Y307 HydrophobicContact CB-CD1 4.05Å; K35-Y307 HydrophobicContact CB-CD2 4.16Å; K35-Y307 HydrophobicContact CB-CE1 3.94Å; K35-Y307 HydrophobicContact CB-CE2 4.05Å; K35-Y307 HydrophobicContact CB-CG 4.17Å; K35-Y307 HydrophobicContact CD-CD2 4.13Å; K35-Y307 HydrophobicContact CD-CE2 4.18Å; K35-Y307 HydrophobicContact CG-CD2 4.07Å; K35-Y307 HydrophobicContact CG-CE1 4.47Å; K35-Y307 HydrophobicContact CG-CE2 3.73Å; K35-L312 HydrophobicContact CD-CB 3.73Å; K35-L312 WeakPolarHBondContact CD-O 3.47Å; K35-L312 WeakPolarHBondContact CE-O 3.42Å; K35-L312 PolarHBondContact NZ-O 3.35Å; K35-L313 HydrophobicContact CB-CD1 4.16Å; K35-L313 HydrophobicContact CD-CD1 4.08Å; K35-L313 HydrophobicContact CD-CG 4.35Å; K35-L313 HydrophobicContact CG-CD1 3.83Å
36	C	93	Very high	90.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-42.3	177.2	-177.4	0	0	0	0	111.8	T27 E32 Q33 K34 M39 S40 C54 L313	T27-C36 HydrophobicContact CG2-CB 3.74Å; E32-C36 WeakPolarHBondContact O-CB 3.48Å; E32-C36 PolarHBondContact O-N 2.91Å; Q33-C36 PolarHBondContact O-N 2.84Å; K34-C36 VanDerWaalsContact C-N 3.28Å; K34-C36 PolarHBondContact O-N 2.88Å; C36-M39 WeakPolarHBondContact O-CB 3.33Å; C36-M39 PolarHBondContact O-N 2.88Å; C36-S40 WeakPolarHBondContact O-CB 3.48Å; C36-S40 PolarHBondContact O-N 2.77Å; C36-C54 HydrophobicContact CB-CB 3.77Å; C36-C54 WeakPolarHBondContact CB-SG 3.45Å; C36-C54 PolarHBondContact O-SG 2.79Å; C36-C54 WeakPolarHBondContact SG-CB 3.35Å; C36-C54 CovalentContact SG-SG 2.03Å; C36-C54 PolarHBondContact SG-SG 2.03Å; C36-L313 HydrophobicContact CB-CD1 4.1Å; C36-L313 HydrophobicContact CB-CD2 4.06Å
37	Q	95.3	Very high	90.6	Very high	93 Å²	93	51 Å²	51	44%	0.435	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-44.1	177.3	-72.1	171.1	-16.8	0	0	111.5	Q33 K34 M39 S40 Q41 C54	Q33-Q37 WeakPolarHBondContact O-CG 3.3Å; Q33-Q37 PolarHBondContact O-N 3.43Å; K34-Q37 PolarHBondContact O-N 3.23Å; Q37-M39 VanDerWaalsContact C-N 3.34Å; Q37-M39 PolarHBondContact O-N 2.95Å; Q37-S40 PolarHBondContact O-N 3.27Å; Q37-Q41 WeakPolarHBondContact O-CG 3.06Å; Q37-Q41 PolarHBondContact O-N 3.38Å; Q37-C54 HydrophobicContact CG-CB 4.29Å
38	D	94.1	Very high	90.2	Very high	50 Å²	50	51.3 Å²	51.3	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-40	176.2	-68	-15.4	0	0	0	111.5	K34 K35 Q41 A42 F299 Y307	K34-D38 PolarHBondContact O-N 3.25Å; K35-D38 PolarHBondContact O-N 3.17Å; D38-Q41 PolarHBondContact O-N 3.39Å; D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 2.89Å; D38-F299 HydrophobicContact CB-CE2 3.9Å; D38-Y307 WeakPolarHBondContact CB-OH 3.13Å; D38-Y307 WeakPolarHBondContact OD2-CE1 3.27Å; D38-Y307 PolarHBondContact OD2-OH 2.97Å
39	M	91.1	Very high	89.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-49.2	173.4	-175.6	176.7	70.4	0	0	111.5	K35 C36 Q37 Q41 A42 F43 I52 F299 M301 L313 F314	K35-M39 VanDerWaalsContact O-CB 3.31Å; K35-M39 WeakPolarHBondContact O-CB 3.48Å; K35-M39 PolarHBondContact O-N 3.34Å; C36-M39 WeakPolarHBondContact O-CB 3.33Å; C36-M39 PolarHBondContact O-N 2.88Å; Q37-M39 VanDerWaalsContact C-N 3.34Å; Q37-M39 PolarHBondContact O-N 2.95Å; M39-Q41 VanDerWaalsContact C-N 3.32Å; M39-Q41 PolarHBondContact O-N 2.98Å; M39-A42 PolarHBondContact O-N 3.11Å; M39-F43 HydrophobicContact CG-CD1 3.92Å; M39-F43 HydrophobicContact CG-CE1 3.38Å; M39-F43 HydrophobicContact CG-CZ 3.8Å; M39-F43 WeakPolarHBondContact O-CD1 3.04Å; M39-F43 PolarHBondContact O-N 2.89Å; M39-F43 HydrophobicContact SD-CE1 4.23Å; M39-F43 HydrophobicContact SD-CZ 4.09Å; M39-I52 HydrophobicContact CE-CD1 3.97Å; M39-I52 HydrophobicContact CE-CG2 4.49Å; M39-F299 HydrophobicContact CB-CD1 4.33Å; M39-F299 HydrophobicContact CB-CE1 3.5Å; M39-F299 VanDerWaalsContact CB-CE1 3.5Å; M39-F299 HydrophobicContact CB-CE2 4.41Å; M39-F299 HydrophobicContact CB-CZ 3.56Å; M39-F299 HydrophobicContact CG-CD1 4.25Å; M39-F299 HydrophobicContact CG-CE1 3.61Å; M39-F299 HydrophobicContact CG-CZ 4.21Å; M39-F299 HydrophobicContact SD-CE1 4.37Å; M39-M301 HydrophobicContact SD-CG 4.41Å; M39-L313 HydrophobicContact CE-CD1 4.1Å; M39-L313 HydrophobicContact SD-CD1 4.2Å; M39-F314 HydrophobicContact SD-CE2 3.7Å; M39-F314 HydrophobicContact SD-CZ 4.12Å
40	S	91.8	Very high	89.6	Confident	22 Å²	22	54.4 Å²	54.4	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-42.3	177.7	168.4	0	0	0	0	112.5	C36 Q37 F43 S44 I52	C36-S40 WeakPolarHBondContact O-CB 3.48Å; C36-S40 PolarHBondContact O-N 2.77Å; Q37-S40 PolarHBondContact O-N 3.27Å; S40-F43 PolarHBondContact O-N 3.25Å; S40-S44 WeakPolarHBondContact O-CB 3.41Å; S40-S44 PolarHBondContact O-N 3.48Å; S40-S44 PolarHBondContact O-OG 3.27Å; S40-I52 VanDerWaalsContact CB-O 3.29Å; S40-I52 WeakPolarHBondContact CB-O 3.33Å; S40-I52 PolarHBondContact OG-O 3.21Å
41	Q	91.5	Very high	89.4	Confident	113 Å²	113	50.3 Å²	50.3	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-42.5	176	-70.9	178.6	22	0	0	111.8	Q37 D38 M39 S44 K45	Q37-Q41 WeakPolarHBondContact O-CG 3.06Å; Q37-Q41 PolarHBondContact O-N 3.38Å; D38-Q41 PolarHBondContact O-N 3.39Å; M39-Q41 VanDerWaalsContact C-N 3.32Å; M39-Q41 PolarHBondContact O-N 2.98Å; Q41-S44 PolarHBondContact O-N 3.31Å; Q41-K45 WeakPolarHBondContact O-CG 3.42Å; Q41-K45 PolarHBondContact O-N 3.4Å
42	A	90.3	Very high	89.3	Confident	14 Å²	14	48.2 Å²	48.2	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-45.5	176.8	0	0	0	0	0	111.7	D38 M39 S44 K45 V46 F299	D38-A42 WeakPolarHBondContact O-CB 3.41Å; D38-A42 PolarHBondContact O-N 2.89Å; M39-A42 PolarHBondContact O-N 3.11Å; A42-S44 VanDerWaalsContact C-N 3.29Å; A42-S44 PolarHBondContact O-N 2.91Å; A42-K45 WeakPolarHBondContact O-CB 3.4Å; A42-K45 PolarHBondContact O-N 2.93Å; A42-K45 VanDerWaalsContact O-N 3.16Å; A42-V46 WeakPolarHBondContact O-CG2 3.29Å; A42-V46 PolarHBondContact O-N 3.31Å; A42-F299 HydrophobicContact CB-CB 3.47Å; A42-F299 VanDerWaalsContact CB-CB 3.47Å; A42-F299 HydrophobicContact CB-CD1 4.45Å; A42-F299 HydrophobicContact CB-CD2 4.33Å; A42-F299 HydrophobicContact CB-CG 3.85Å
43	F	88.7	Confident	89.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-41.2	178.7	-78.1	35.2	0	0	0	110.8	M39 S40 K45 V46 S47 I48 I52 V288 Q292 M301	M39-F43 HydrophobicContact CG-CD1 3.92Å; M39-F43 HydrophobicContact CG-CE1 3.38Å; M39-F43 HydrophobicContact CG-CZ 3.8Å; M39-F43 WeakPolarHBondContact O-CD1 3.04Å; M39-F43 PolarHBondContact O-N 2.89Å; M39-F43 HydrophobicContact SD-CE1 4.23Å; M39-F43 HydrophobicContact SD-CZ 4.09Å; S40-F43 PolarHBondContact O-N 3.25Å; F43-K45 VanDerWaalsContact C-N 3.34Å; F43-K45 PolarHBondContact O-N 2.8Å; F43-V46 WeakPolarHBondContact O-CG2 3.48Å; F43-V46 PolarHBondContact O-N 2.79Å; F43-S47 PolarHBondContact O-N 2.6Å; F43-I48 HydrophobicContact CB-CB 4.14Å; F43-I48 HydrophobicContact CB-CG2 4.48Å; F43-I48 HydrophobicContact CD2-CB 4.4Å; F43-I48 HydrophobicContact CD2-CD1 4.46Å; F43-I48 HydrophobicContact CD2-CG2 3.89Å; F43-I48 HydrophobicContact CG-CB 4.47Å; F43-I48 HydrophobicContact CG-CD1 4.27Å; F43-I48 HydrophobicContact CG-CG2 4.44Å; F43-I48 PolarHBondContact O-N 2.9Å; F43-I52 HydrophobicContact CD2-CD1 3.63Å; F43-I52 HydrophobicContact CD2-CG1 4.4Å; F43-I52 HydrophobicContact CE2-CD1 3.55Å; F43-I52 HydrophobicContact CZ-CD1 4.38Å; F43-V288 HydrophobicContact CD2-CG1 3.86Å; F43-V288 HydrophobicContact CE2-CG1 3.69Å; F43-Q292 HydrophobicContact CD1-CB 4.33Å; F43-Q292 HydrophobicContact CD1-CG 3.95Å; F43-Q292 HydrophobicContact CE1-CB 3.7Å; F43-Q292 VanDerWaalsContact CE1-CD 3.42Å; F43-Q292 HydrophobicContact CE1-CG 3.29Å; F43-Q292 HydrophobicContact CE2-CB 4.24Å; F43-Q292 HydrophobicContact CZ-CB 3.63Å; F43-Q292 HydrophobicContact CZ-CG 3.73Å; F43-M301 HydrophobicContact CZ-SD 4.16Å
44	S	86.4	Confident	89.6	Confident	48 Å²	48	49.7 Å²	49.7	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-35.5	177.5	-61.7	0	0	0	0	112.8	S40 Q41 A42 V46 S47	S40-S44 WeakPolarHBondContact O-CB 3.41Å; S40-S44 PolarHBondContact O-N 3.48Å; S40-S44 PolarHBondContact O-OG 3.27Å; Q41-S44 PolarHBondContact O-N 3.31Å; A42-S44 VanDerWaalsContact C-N 3.29Å; A42-S44 PolarHBondContact O-N 2.91Å; S44-V46 VanDerWaalsContact C-N 3.33Å; S44-V46 PolarHBondContact O-N 2.87Å; S44-S47 PolarHBondContact O-N 3.46Å
45	K	87.6	Confident	89.7	Confident	168 Å²	168	45.8 Å²	45.8	73%	0.73	25%	0.248	S	C	*	.	H	α-helix	trans	-65.6	-33.7	178.2	-74.7	174.2	-176.7	177.2	0	113	Q41 A42 F43	Q41-K45 WeakPolarHBondContact O-CG 3.42Å; Q41-K45 PolarHBondContact O-N 3.4Å; A42-K45 WeakPolarHBondContact O-CB 3.4Å; A42-K45 PolarHBondContact O-N 2.93Å; A42-K45 VanDerWaalsContact O-N 3.16Å; F43-K45 VanDerWaalsContact C-N 3.34Å; F43-K45 PolarHBondContact O-N 2.8Å
46	V	87.6	Confident	89.7	Confident	59 Å²	59	50 Å²	50	36%	0.358	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.5	177.6	-64.8	0	0	0	0	112.9	A42 F43 S44 I48	A42-V46 WeakPolarHBondContact O-CG2 3.29Å; A42-V46 PolarHBondContact O-N 3.31Å; F43-V46 WeakPolarHBondContact O-CG2 3.48Å; F43-V46 PolarHBondContact O-N 2.79Å; S44-V46 VanDerWaalsContact C-N 3.33Å; S44-V46 PolarHBondContact O-N 2.87Å; V46-I48 VanDerWaalsContact C-N 3.26Å; V46-I48 HydrophobicContact CG2-CD1 3.54Å; V46-I48 HydrophobicContact CG2-CG1 3.78Å; V46-I48 PolarHBondContact O-N 2.89Å
47	S	85.4	Confident	89.8	Confident	90 Å²	90	50.2 Å²	50.2	63%	0.629	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	27.2	177.8	-56	0	0	0	0	115.6	F43 S44 R49	F43-S47 PolarHBondContact O-N 2.6Å; S44-S47 PolarHBondContact O-N 3.46Å; S47-R49 PolarHBondContact O-N 3.14Å
48	I	84.3	Confident	89.5	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	28%	0.279	C	S	.	.			trans	-67.2	133.6	171.6	-67.6	167.1	0	0	0	109	F43 V46 V288 E291 Q292	F43-I48 HydrophobicContact CB-CB 4.14Å; F43-I48 HydrophobicContact CB-CG2 4.48Å; F43-I48 HydrophobicContact CD2-CB 4.4Å; F43-I48 HydrophobicContact CD2-CD1 4.46Å; F43-I48 HydrophobicContact CD2-CG2 3.89Å; F43-I48 HydrophobicContact CG-CB 4.47Å; F43-I48 HydrophobicContact CG-CD1 4.27Å; F43-I48 HydrophobicContact CG-CG2 4.44Å; F43-I48 PolarHBondContact O-N 2.9Å; V46-I48 VanDerWaalsContact C-N 3.26Å; V46-I48 HydrophobicContact CG2-CD1 3.54Å; V46-I48 HydrophobicContact CG2-CG1 3.78Å; V46-I48 PolarHBondContact O-N 2.89Å; I48-V288 HydrophobicContact CG2-CB 4.46Å; I48-V288 HydrophobicContact CG2-CG1 4.01Å; I48-V288 HydrophobicContact CG2-CG2 4.47Å; I48-E291 HydrophobicContact CD1-CB 4.41Å; I48-E291 HydrophobicContact CG1-CB 4.34Å; I48-Q292 HydrophobicContact CD1-CB 3.76Å; I48-Q292 HydrophobicContact CD1-CG 4.46Å
49	R	82.4	Confident	89.2	Confident	125 Å²	125	50.5 Å²	50.5	47%	0.472	28%	0.284	S	S	.	.	S	Bend	trans	-133.3	145.6	-177.8	-66.6	-65	-173.8	-134.4	2.1	110.7	S47 V288	S47-R49 PolarHBondContact O-N 3.14Å; R49-V288 WeakPolarHBondContact O-CG2 3.44Å
50	P	83.3	Confident	88.9	Confident	26 Å²	26	51.7 Å²	51.7	17%	0.169	29%	0.291	C	S	.	.	S	Bend	cis	-67.7	162	-5.1	23.9	-35.5	0	0	0	116.1	Q21 I23 V284 V288	Q21-P50 WeakPolarHBondContact O-CB 3.27Å; I23-P50 HydrophobicContact CD1-CG 3.71Å; I23-P50 HydrophobicContact CG1-CG 3.88Å; P50-V284 HydrophobicContact CG-CG1 3.63Å; P50-V288 VanDerWaalsContact CD-CG2 3.44Å; P50-V288 HydrophobicContact CG-CG2 4.03Å
51	S	85.6	Confident	88.7	Confident	30 Å²	30	54.6 Å²	54.6	21%	0.21	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-68.5	151	174.7	44.6	0	0	0	0	111.9	T22 I23	T22-S51 CarbonylContact C-O 3.43Å; T22-S51 WeakPolarHBondContact CA-O 3.48Å; T22-S51 WeakPolarHBondContact CG2-O 3.42Å; T22-S51 PolarHBondContact OG1-OG 2.61Å; T22-S51 VanDerWaalsContact OG1-OG 3.13Å; I23-S51 PolarHBondContact N-O 2.64Å
52	I	88.6	Confident	88.7	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.3	175.2	-61.5	176.3	0	0	0	109.3	I23 W25 M39 S40 F43 V288	I23-I52 HydrophobicContact CB-CG1 4.47Å; I23-I52 CarbonylContact O-C 3.59Å; I23-I52 WeakPolarHBondContact O-CA 3.36Å; W25-I52 HydrophobicContact CB-CG2 3.98Å; M39-I52 HydrophobicContact CE-CD1 3.97Å; M39-I52 HydrophobicContact CE-CG2 4.49Å; S40-I52 VanDerWaalsContact CB-O 3.29Å; S40-I52 WeakPolarHBondContact CB-O 3.33Å; S40-I52 PolarHBondContact OG-O 3.21Å; F43-I52 HydrophobicContact CD2-CD1 3.63Å; F43-I52 HydrophobicContact CD2-CG1 4.4Å; F43-I52 HydrophobicContact CE2-CD1 3.55Å; F43-I52 HydrophobicContact CZ-CD1 4.38Å; I52-V288 HydrophobicContact CD1-CG1 4.08Å; I52-V288 HydrophobicContact CG1-CG1 4.41Å
53	S	93.1	Very high	88.7	Confident	42 Å²	42	51.2 Å²	51.2	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.5	165.8	65.1	0	0	0	0	109.8	T22 I23 R24 W25	T22-S53 WeakPolarHBondContact CG2-OG 3.39Å; I23-S53 PolarHBondContact O-N 3.33Å; R24-S53 CarbonylContact C-O 3.58Å; R24-S53 WeakPolarHBondContact CA-O 3.42Å; R24-S53 WeakPolarHBondContact CA-OG 3.24Å; R24-S53 WeakPolarHBondContact CG-OG 3.46Å; W25-S53 PolarHBondContact N-O 3.12Å
54	C	94.8	Very high	88.7	Confident	25 Å²	25	51.2 Å²	51.2	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.7	-170.7	-55.3	0	0	0	0	111	W25 Q33 C36 Q37	W25-C54 CarbonylContact O-C 3.54Å; W25-C54 WeakPolarHBondContact O-CA 3.49Å; Q33-C54 PolarHBondContact NE2-O 3.44Å; C36-C54 HydrophobicContact CB-CB 3.77Å; C36-C54 WeakPolarHBondContact CB-SG 3.45Å; C36-C54 PolarHBondContact O-SG 2.79Å; C36-C54 WeakPolarHBondContact SG-CB 3.35Å; C36-C54 CovalentContact SG-SG 2.03Å; C36-C54 PolarHBondContact SG-SG 2.03Å; Q37-C54 HydrophobicContact CG-CB 4.29Å
55	T	95.1	Very high	88.8	Confident	45 Å²	45	53.6 Å²	53.6	28%	0.276	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.9	179.8	-61.2	0	0	0	0	109.8	W25 C26 T27 K66 V72	W25-T55 PolarHBondContact O-N 2.83Å; C26-T55 CarbonylContact C-O 3.53Å; C26-T55 VanDerWaalsContact CA-O 3.27Å; C26-T55 WeakPolarHBondContact CA-O 3.46Å; T27-T55 PolarHBondContact N-O 3.19Å; T55-K66 HydrophobicContact CG2-CD 4.46Å; T55-V72 HydrophobicContact CG2-CG1 3.95Å
56	K	94.4	Very high	89	Confident	88 Å²	88	47.9 Å²	47.9	38%	0.383	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	143.5	177.4	-168.1	-172.6	173.6	-152	0	111.9	T27 E30 Q33 K66	T27-K56 CarbonylContact O-C 3.53Å; E30-K56 VanDerWaalsContact CD-NZ 3.32Å; E30-K56 WeakPolarHBondContact OE1-CE 3.11Å; E30-K56 IonicContact OE1-NZ 2.83Å; E30-K56 PolarHBondContact OE1-NZ 2.98Å; Q33-K56 HydrophobicContact CB-CG 4.5Å; Q33-K56 HydrophobicContact CG-CB 4.28Å; K56-K66 PolarHBondContact O-NZ 3.28Å; K56-K66 VanDerWaalsContact O-NZ 3.09Å
57	S	93.8	Very high	88.9	Confident	4 Å²	4	45.2 Å²	45.2	3%	0.028	25%	0.251	C	S	.	.			trans	-134.6	159.1	168.9	-60.4	0	0	0	0	110.5	C26 T27 V28 C63 K66	C26-S57 PolarHBondContact SG-OG 3.06Å; T27-S57 PolarHBondContact O-N 2.95Å; V28-S57 CarbonylContact C-O 3.59Å; V28-S57 WeakPolarHBondContact CA-O 3.39Å; S57-C63 VanDerWaalsContact CB-SG 3.58Å; S57-K66 WeakPolarHBondContact OG-CD 3.44Å; S57-K66 WeakPolarHBondContact OG-CE 3.43Å; S57-K66 PolarHBondContact OG-NZ 2.75Å
58	P	88.9	Confident	88.9	Confident	106 Å²	106	44.8 Å²	44.8	69%	0.688	24%	0.239	S	C	*	.	S	Bend	trans	-77.3	-26.9	-178.8	25.8	-27.6	0	0	0	113.5	D62	P58-D62 HydrophobicContact CG-CB 4.43Å; P58-D62 WeakPolarHBondContact CG-OD2 3.43Å
59	A	88.4	Confident	89.1	Confident	43 Å²	43	51 Å²	51	36%	0.355	27%	0.265	S	S	.	.	S	Bend	trans	-147	169.5	174.3	0	0	0	0	0	112.8	Q61 D62 C63	A59-Q61 VanDerWaalsContact C-N 3.28Å; A59-Q61 PolarHBondContact O-N 2.84Å; A59-D62 WeakPolarHBondContact CB-OD2 3.45Å; A59-D62 PolarHBondContact N-OD2 2.87Å; A59-D62 VanDerWaalsContact N-OD2 3.09Å; A59-D62 WeakPolarHBondContact O-CB 3.24Å; A59-D62 PolarHBondContact O-N 3.01Å; A59-C63 PolarHBondContact O-N 3.42Å
60	V	85.3	Confident	89.3	Confident	26 Å²	26	49.3 Å²	49.3	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-37.5	177.2	176.3	0	0	0	0	111.5	V28 D62 C63 I64 L75 M77 E81	V28-V60 HydrophobicContact CG1-CB 4.46Å; V28-V60 HydrophobicContact CG1-CG2 3.83Å; V28-V60 HydrophobicContact CG2-CG2 4.39Å; V60-D62 VanDerWaalsContact C-N 3.33Å; V60-D62 PolarHBondContact O-N 3.4Å; V60-C63 WeakPolarHBondContact O-CB 3.34Å; V60-C63 PolarHBondContact O-N 3.23Å; V60-C63 VanDerWaalsContact O-N 3.13Å; V60-I64 HydrophobicContact CG1-CD1 3.88Å; V60-I64 HydrophobicContact CG1-CG1 4.43Å; V60-I64 WeakPolarHBondContact O-CG1 3.3Å; V60-I64 PolarHBondContact O-N 2.86Å; V60-L75 HydrophobicContact CG1-CD1 3.99Å; V60-M77 HydrophobicContact CG1-CG 4.05Å; V60-M77 HydrophobicContact CG1-SD 4.36Å; V60-E81 HydrophobicContact CG1-CB 4.49Å
61	Q	86.9	Confident	89.6	Confident	82 Å²	82	52.4 Å²	52.4	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-62.7	-37.3	177.5	-71.4	-62.1	-21.3	0	0	112.8	A59 C63 I64 Q65	A59-Q61 VanDerWaalsContact C-N 3.28Å; A59-Q61 PolarHBondContact O-N 2.84Å; Q61-C63 VanDerWaalsContact C-N 3.35Å; Q61-I64 WeakPolarHBondContact O-CB 3.36Å; Q61-I64 PolarHBondContact O-N 3.06Å; Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.81Å
62	D	91.2	Very high	89.8	Confident	56 Å²	56	51 Å²	51	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-39.6	173.8	-56.9	-81.8	0	0	0	111.3	P58 A59 V60 I64 Q65 K66	P58-D62 HydrophobicContact CG-CB 4.43Å; P58-D62 WeakPolarHBondContact CG-OD2 3.43Å; A59-D62 WeakPolarHBondContact CB-OD2 3.45Å; A59-D62 PolarHBondContact N-OD2 2.87Å; A59-D62 VanDerWaalsContact N-OD2 3.09Å; A59-D62 WeakPolarHBondContact O-CB 3.24Å; A59-D62 PolarHBondContact O-N 3.01Å; V60-D62 VanDerWaalsContact C-N 3.33Å; V60-D62 PolarHBondContact O-N 3.4Å; D62-I64 VanDerWaalsContact C-N 3.31Å; D62-I64 PolarHBondContact O-N 2.86Å; D62-Q65 PolarHBondContact O-N 3.06Å; D62-K66 WeakPolarHBondContact O-CB 3.49Å; D62-K66 VanDerWaalsContact O-CG 3.28Å; D62-K66 WeakPolarHBondContact O-CG 3.46Å; D62-K66 PolarHBondContact O-N 2.85Å
63	C	90.7	Very high	89.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-39.6	172.6	-74.7	0	0	0	0	112	C26 S57 A59 V60 Q61 K66 L67 L75	C26-C63 HydrophobicContact CB-CB 3.7Å; C26-C63 WeakPolarHBondContact CB-SG 3.26Å; C26-C63 WeakPolarHBondContact SG-CA 3.47Å; C26-C63 WeakPolarHBondContact SG-CB 3.41Å; C26-C63 CovalentContact SG-SG 2.03Å; C26-C63 PolarHBondContact SG-SG 2.94Å; S57-C63 VanDerWaalsContact CB-SG 3.58Å; A59-C63 PolarHBondContact O-N 3.42Å; V60-C63 WeakPolarHBondContact O-CB 3.34Å; V60-C63 PolarHBondContact O-N 3.23Å; V60-C63 VanDerWaalsContact O-N 3.13Å; Q61-C63 VanDerWaalsContact C-N 3.35Å; C63-K66 PolarHBondContact O-N 3.17Å; C63-L67 VanDerWaalsContact O-CB 3.31Å; C63-L67 WeakPolarHBondContact O-CB 3.42Å; C63-L67 PolarHBondContact O-N 3.12Å; C63-L75 HydrophobicContact CB-CB 4.49Å; C63-L75 HydrophobicContact CB-CD1 3.71Å; C63-L75 HydrophobicContact CB-CD2 4.41Å; C63-L75 HydrophobicContact CB-CG 4.44Å
64	I	88.3	Confident	89.4	Confident	1 Å²	1	49 Å²	49	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-44.6	176.4	-67.4	157.9	0	0	0	110.8	V60 Q61 D62 K66 L67 Q68 M77 A85 A89	V60-I64 HydrophobicContact CG1-CD1 3.88Å; V60-I64 HydrophobicContact CG1-CG1 4.43Å; V60-I64 WeakPolarHBondContact O-CG1 3.3Å; V60-I64 PolarHBondContact O-N 2.86Å; Q61-I64 WeakPolarHBondContact O-CB 3.36Å; Q61-I64 PolarHBondContact O-N 3.06Å; D62-I64 VanDerWaalsContact C-N 3.31Å; D62-I64 PolarHBondContact O-N 2.86Å; I64-K66 VanDerWaalsContact C-N 3.35Å; I64-K66 PolarHBondContact O-N 3.22Å; I64-L67 WeakPolarHBondContact O-CB 3.41Å; I64-L67 PolarHBondContact O-N 2.83Å; I64-Q68 WeakPolarHBondContact O-CG 3.04Å; I64-Q68 PolarHBondContact O-N 3.28Å; I64-M77 HydrophobicContact CD1-CE 4.45Å; I64-M77 HydrophobicContact CD1-SD 4.47Å; I64-M77 HydrophobicContact CG1-SD 4.32Å; I64-A85 HydrophobicContact CD1-CB 3.32Å; I64-A85 HydrophobicContact CG1-CB 4.07Å; I64-A89 HydrophobicContact CG2-CB 3.41Å; I64-A89 VanDerWaalsContact CG2-CB 3.41Å
65	Q	89.4	Confident	89.1	Confident	98 Å²	98	48 Å²	48	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-42.8	175.1	-71.5	-177.7	-0.4	0	0	111.9	Q61 D62 L67 Q68 K69	Q61-Q65 WeakPolarHBondContact O-CG 3.39Å; Q61-Q65 PolarHBondContact O-N 2.81Å; D62-Q65 PolarHBondContact O-N 3.06Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 2.78Å; Q65-Q68 PolarHBondContact O-N 2.91Å; Q65-K69 WeakPolarHBondContact O-CG 3.5Å; Q65-K69 PolarHBondContact O-N 3.42Å
66	K	90.7	Very high	88.5	Confident	47 Å²	47	47.1 Å²	47.1	20%	0.204	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-36.8	174.5	-73.6	-175.6	-179.4	172.2	0	111.9	T55 K56 S57 D62 C63 I64 K69 K70 E71 V72	T55-K66 HydrophobicContact CG2-CD 4.46Å; K56-K66 PolarHBondContact O-NZ 3.28Å; K56-K66 VanDerWaalsContact O-NZ 3.09Å; S57-K66 WeakPolarHBondContact OG-CD 3.44Å; S57-K66 WeakPolarHBondContact OG-CE 3.43Å; S57-K66 PolarHBondContact OG-NZ 2.75Å; D62-K66 WeakPolarHBondContact O-CB 3.49Å; D62-K66 VanDerWaalsContact O-CG 3.28Å; D62-K66 WeakPolarHBondContact O-CG 3.46Å; D62-K66 PolarHBondContact O-N 2.85Å; C63-K66 PolarHBondContact O-N 3.17Å; I64-K66 VanDerWaalsContact C-N 3.35Å; I64-K66 PolarHBondContact O-N 3.22Å; K66-K69 CarbonylContact O-C 3.57Å; K66-K69 PolarHBondContact O-N 3.02Å; K66-K70 PolarHBondContact O-N 2.94Å; K66-K70 VanDerWaalsContact O-N 3.14Å; K66-E71 HydrophobicContact CB-CB 4.01Å; K66-E71 HydrophobicContact CG-CB 4.32Å; K66-E71 WeakPolarHBondContact CG-OE2 3.37Å; K66-E71 PolarHBondContact O-N 3.08Å; K66-V72 HydrophobicContact CB-CG1 4.18Å; K66-V72 HydrophobicContact CB-CG2 3.85Å; K66-V72 HydrophobicContact CD-CG1 4.37Å; K66-V72 PolarHBondContact O-N 3.43Å
67	L	85.9	Confident	87.7	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-45.4	176	-175.1	69.6	0	0	0	110.4	C63 I64 Q65 K69 K70 V72 L75 F91 L275	C63-L67 VanDerWaalsContact O-CB 3.31Å; C63-L67 WeakPolarHBondContact O-CB 3.42Å; C63-L67 PolarHBondContact O-N 3.12Å; I64-L67 WeakPolarHBondContact O-CB 3.41Å; I64-L67 PolarHBondContact O-N 2.83Å; Q65-L67 VanDerWaalsContact C-N 3.3Å; Q65-L67 PolarHBondContact O-N 2.78Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.49Å; L67-K70 PolarHBondContact O-N 3.27Å; L67-K70 VanDerWaalsContact O-N 3.1Å; L67-V72 HydrophobicContact CB-CG2 3.98Å; L67-V72 HydrophobicContact CD1-CG2 4.27Å; L67-L75 HydrophobicContact CD2-CD2 3.88Å; L67-F91 HydrophobicContact CD2-CB 4.34Å; L67-L275 WeakPolarHBondContact CD1-O 3.32Å; L67-L275 HydrophobicContact CD2-CB 4.07Å
68	Q	85.4	Confident	86.8	Confident	81 Å²	81	45.1 Å²	45.1	38%	0.379	24%	0.235	S	C	.	.	H	α-helix	trans	-62.8	-38	175.5	-70	179.8	-52.5	0	0	112.9	I64 Q65 K70 T88 A89	I64-Q68 WeakPolarHBondContact O-CG 3.04Å; I64-Q68 PolarHBondContact O-N 3.28Å; Q65-Q68 PolarHBondContact O-N 2.91Å; Q68-K70 PolarHBondContact O-N 2.86Å; Q68-T88 PolarHBondContact NE2-O 3.33Å; Q68-A89 HydrophobicContact CG-CB 3.9Å; Q68-A89 VanDerWaalsContact NE2-CA 3.26Å; Q68-A89 VanDerWaalsContact NE2-CB 3.25Å
69	K	88.7	Confident	86	Confident	136 Å²	136	40.5 Å²	40.5	59%	0.591	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	0.3	176.2	-68.6	175.1	-176.7	175.3	0	113.6	Q65 K66 L67 E71	Q65-K69 WeakPolarHBondContact O-CG 3.5Å; Q65-K69 PolarHBondContact O-N 3.42Å; K66-K69 CarbonylContact O-C 3.57Å; K66-K69 PolarHBondContact O-N 3.02Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.49Å; K69-E71 HydrophobicContact CB-CG 4Å; K69-E71 WeakPolarHBondContact CD-OE1 3.43Å; K69-E71 PolarHBondContact O-N 3.3Å
70	K	86.4	Confident	85.4	Confident	90 Å²	90	40.2 Å²	40.2	39%	0.391	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	29.7	-175.4	-51.4	178.4	174.8	-172.2	0	113.1	R24 K66 L67 Q68	R24-K70 PolarHBondContact NH1-O 2.87Å; R24-K70 PolarHBondContact NH2-O 3.32Å; K66-K70 PolarHBondContact O-N 2.94Å; K66-K70 VanDerWaalsContact O-N 3.14Å; L67-K70 PolarHBondContact O-N 3.27Å; L67-K70 VanDerWaalsContact O-N 3.1Å; Q68-K70 PolarHBondContact O-N 2.86Å
71	E	90.1	Very high	85.1	Confident	90 Å²	90	42.3 Å²	42.3	42%	0.421	21%	0.21	S	C	.	.	S	Bend	trans	-85.9	-26.5	175.4	-68.7	176.6	-155.2	0	0	112.3	R24 K66 K69	R24-E71 WeakPolarHBondContact CD-O 3.48Å; R24-E71 VanDerWaalsContact NH1-C 3.3Å; R24-E71 PolarHBondContact NH1-O 3.03Å; K66-E71 HydrophobicContact CB-CB 4.01Å; K66-E71 HydrophobicContact CG-CB 4.32Å; K66-E71 WeakPolarHBondContact CG-OE2 3.37Å; K66-E71 PolarHBondContact O-N 3.08Å; K69-E71 HydrophobicContact CB-CG 4Å; K69-E71 WeakPolarHBondContact CD-OE1 3.43Å; K69-E71 PolarHBondContact O-N 3.3Å
72	V	90.2	Very high	84.7	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.192	C	C	.	.			trans	-127.1	158.2	170.3	-60.7	0	0	0	0	109.3	C26 T55 K66 L67	C26-V72 HydrophobicContact CB-CB 4.18Å; C26-V72 HydrophobicContact CB-CG1 3.99Å; C26-V72 HydrophobicContact CB-CG2 4.08Å; T55-V72 HydrophobicContact CG2-CG1 3.95Å; K66-V72 HydrophobicContact CB-CG1 4.18Å; K66-V72 HydrophobicContact CB-CG2 3.85Å; K66-V72 HydrophobicContact CD-CG1 4.37Å; K66-V72 PolarHBondContact O-N 3.43Å; L67-V72 HydrophobicContact CB-CG2 3.98Å; L67-V72 HydrophobicContact CD1-CG2 4.27Å
73	D	86.4	Confident	84.3	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.032	18%	0.18	C	C	.	.	S	Bend	trans	-105.2	-23.9	-179.5	-54.9	-53.8	0	0	0	111.7	I23 R24 L275 M276 H280	I23-D73 HydrophobicContact CG2-CB 4.32Å; R24-D73 VanDerWaalsContact CB-OD2 3.23Å; R24-D73 WeakPolarHBondContact CB-OD2 3.33Å; R24-D73 WeakPolarHBondContact CG-OD2 3.35Å; R24-D73 IonicContact CZ-OD1 3.49Å; R24-D73 IonicContact CZ-OD2 2.85Å; R24-D73 PolarHBondContact N-OD2 3.06Å; R24-D73 IonicContact NE-OD1 3.93Å; R24-D73 PolarHBondContact NE-OD1 3.27Å; R24-D73 IonicContact NE-OD2 3.64Å; R24-D73 PolarHBondContact NE-OD2 3Å; R24-D73 IonicContact NH2-OD1 3.51Å; R24-D73 PolarHBondContact NH2-OD1 3.27Å; R24-D73 IonicContact NH2-OD2 2.73Å; R24-D73 PolarHBondContact O-N 3.04Å; D73-L275 VanDerWaalsContact O-O 3.05Å; D73-M276 WeakPolarHBondContact O-CG 3.41Å; D73-H280 IonicContact OD1-NE2 2.61Å
74	A	86.9	Confident	84	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-150.6	143.7	-167.9	0	0	0	0	0	113.1	I23 R24 W25 C26 V274 I285	I23-A74 HydrophobicContact CG2-CB 4.12Å; R24-A74 PolarHBondContact O-N 3.18Å; R24-A74 VanDerWaalsContact O-N 3.14Å; W25-A74 CarbonylContact C-O 3.4Å; W25-A74 WeakPolarHBondContact CA-O 3.36Å; W25-A74 HydrophobicContact CD2-CB 4.09Å; W25-A74 HydrophobicContact CE3-CB 3.74Å; W25-A74 HydrophobicContact CZ3-CB 4.29Å; C26-A74 PolarHBondContact N-O 3.44Å; A74-V274 HydrophobicContact CB-CB 4.22Å; A74-V274 HydrophobicContact CB-CG1 3.2Å; A74-V274 HydrophobicContact CB-CG2 3.89Å; A74-I285 HydrophobicContact CB-CD1 4.3Å
75	L	87.9	Confident	83.8	Confident	4 Å²	4	39 Å²	39	2%	0.021	19%	0.194	C	C	.	.			trans	-149.8	157.4	159.7	75.9	146.1	0	0	0	112.1	C26 V60 C63 L67 M77 V274	C26-L75 HydrophobicContact CB-CB 3.97Å; V60-L75 HydrophobicContact CG1-CD1 3.99Å; C63-L75 HydrophobicContact CB-CB 4.49Å; C63-L75 HydrophobicContact CB-CD1 3.71Å; C63-L75 HydrophobicContact CB-CD2 4.41Å; C63-L75 HydrophobicContact CB-CG 4.44Å; L67-L75 HydrophobicContact CD2-CD2 3.88Å; L75-M77 HydrophobicContact CD1-CG 3.51Å; L75-M77 HydrophobicContact CD1-SD 3.52Å; L75-M77 VanDerWaalsContact CD1-SD 3.52Å; L75-M77 HydrophobicContact CD2-SD 4.13Å; L75-M77 HydrophobicContact CG-CG 3.98Å; L75-M77 HydrophobicContact CG-SD 3.8Å; L75-V274 VanDerWaalsContact C-CG2 3.4Å; L75-V274 VanDerWaalsContact O-CA 3.29Å; L75-V274 WeakPolarHBondContact O-CA 3.18Å; L75-V274 WeakPolarHBondContact O-CG2 3.25Å
76	S	82.7	Confident	83.6	Confident	26 Å²	26	36.2 Å²	36.2	18%	0.182	18%	0.182	C	C	.	.			trans	-93.1	139.5	174.2	-170.9	0	0	0	0	111.5	L273 L313	S76-L273 WeakPolarHBondContact OG-CD1 3.24Å; S76-L313 WeakPolarHBondContact CB-O 3.45Å; S76-L313 PolarHBondContact OG-O 3.27Å
77	M	78.3	Confident	83.2	Confident	6 Å²	6	39.4 Å²	39.4	3%	0.03	20%	0.196	C	C	.	.			trans	-149.4	132.5	-175	-72.8	166.5	47	0	0	111.6	V60 I64 L75 E81 I82 A85 F91 S272 L275	V60-M77 HydrophobicContact CG1-CG 4.05Å; V60-M77 HydrophobicContact CG1-SD 4.36Å; I64-M77 HydrophobicContact CD1-CE 4.45Å; I64-M77 HydrophobicContact CD1-SD 4.47Å; I64-M77 HydrophobicContact CG1-SD 4.32Å; L75-M77 HydrophobicContact CD1-CG 3.51Å; L75-M77 HydrophobicContact CD1-SD 3.52Å; L75-M77 VanDerWaalsContact CD1-SD 3.52Å; L75-M77 HydrophobicContact CD2-SD 4.13Å; L75-M77 HydrophobicContact CG-CG 3.98Å; L75-M77 HydrophobicContact CG-SD 3.8Å; M77-E81 HydrophobicContact CB-CB 3.91Å; M77-E81 HydrophobicContact CE-CB 4.1Å; M77-E81 VanDerWaalsContact CE-O 3.31Å; M77-E81 WeakPolarHBondContact CE-O 3.39Å; M77-E81 HydrophobicContact CG-CB 4.18Å; M77-I82 HydrophobicContact CB-CD1 4.48Å; M77-I82 HydrophobicContact CB-CG1 3.79Å; M77-I82 HydrophobicContact CE-CB 4.16Å; M77-I82 HydrophobicContact CE-CG1 3.75Å; M77-I82 VanDerWaalsContact CE-N 3.31Å; M77-I82 WeakPolarHBondContact O-CD1 3.36Å; M77-A85 HydrophobicContact CE-CB 3.36Å; M77-F91 HydrophobicContact CE-CZ 4.46Å; M77-S272 CarbonylContact C-O 3.59Å; M77-S272 PolarHBondContact N-O 2.92Å; M77-L275 HydrophobicContact CE-CD1 4.1Å; M77-L275 HydrophobicContact SD-CD1 3.95Å
78	S	73.6	Confident	83.1	Confident	44 Å²	44	43.3 Å²	43.3	31%	0.308	22%	0.22	S	C	.	.			trans	-59.3	159.2	167.8	65.9	0	0	0	0	111.9	S80 E81 I82	S78-S80 PolarHBondContact O-N 3.36Å; S78-S80 VanDerWaalsContact O-N 3.11Å; S78-E81 WeakPolarHBondContact CB-OE2 3.18Å; S78-E81 PolarHBondContact N-OE2 3.28Å; S78-E81 PolarHBondContact O-N 3.29Å; S78-E81 VanDerWaalsContact OG-CD 3.3Å; S78-E81 WeakPolarHBondContact OG-CG 3.4Å; S78-E81 PolarHBondContact OG-N 3.13Å; S78-E81 PolarHBondContact OG-OE2 2.95Å; S78-I82 WeakPolarHBondContact O-CG1 3.26Å; S78-I82 PolarHBondContact O-N 2.99Å
79	G	72.9	Confident	83	Confident	8 Å²	8	39.9 Å²	39.9	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-54.5	-32.9	175.2	0	0	0	0	0	113.6	Y83 M333	G79-Y83 WeakPolarHBondContact O-CB 3.29Å; G79-Y83 PolarHBondContact O-N 2.84Å; G79-M333 VanDerWaalsContact O-CE 3.31Å; G79-M333 WeakPolarHBondContact O-CE 3.35Å
80	S	75.1	Confident	82.7	Confident	38 Å²	38	39 Å²	39	27%	0.266	21%	0.212	S	C	.	.	H	α-helix	trans	-70.3	-39.7	175.3	-69.8	0	0	0	0	112.8	S78 Y83 N84	S78-S80 PolarHBondContact O-N 3.36Å; S78-S80 VanDerWaalsContact O-N 3.11Å; S80-Y83 PolarHBondContact O-N 3.17Å; S80-N84 PolarHBondContact O-N 2.91Å; S80-N84 PolarHBondContact O-ND2 3.23Å
81	E	79.1	Confident	82.5	Confident	70 Å²	70	35.1 Å²	35.1	33%	0.327	20%	0.195	S	C	.	.	H	α-helix	trans	-67.3	-40.6	174.6	-72.6	159.7	146.4	0	0	110.9	V60 M77 S78 Y83 N84 A85	V60-E81 HydrophobicContact CG1-CB 4.49Å; M77-E81 HydrophobicContact CB-CB 3.91Å; M77-E81 HydrophobicContact CE-CB 4.1Å; M77-E81 VanDerWaalsContact CE-O 3.31Å; M77-E81 WeakPolarHBondContact CE-O 3.39Å; M77-E81 HydrophobicContact CG-CB 4.18Å; S78-E81 WeakPolarHBondContact CB-OE2 3.18Å; S78-E81 PolarHBondContact N-OE2 3.28Å; S78-E81 PolarHBondContact O-N 3.29Å; S78-E81 VanDerWaalsContact OG-CD 3.3Å; S78-E81 WeakPolarHBondContact OG-CG 3.4Å; S78-E81 PolarHBondContact OG-N 3.13Å; S78-E81 PolarHBondContact OG-OE2 2.95Å; E81-Y83 PolarHBondContact O-N 3.09Å; E81-N84 PolarHBondContact O-N 3.41Å; E81-A85 WeakPolarHBondContact O-CB 3.45Å; E81-A85 PolarHBondContact O-N 3.12Å
82	I	79.9	Confident	82.1	Confident	1 Å²	1	36 Å²	36	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-50	173	-66.6	168.5	0	0	0	110.2	M77 S78 N84 A85 M86 F91 M93 P329 W332 M333	M77-I82 HydrophobicContact CB-CD1 4.48Å; M77-I82 HydrophobicContact CB-CG1 3.79Å; M77-I82 HydrophobicContact CE-CB 4.16Å; M77-I82 HydrophobicContact CE-CG1 3.75Å; M77-I82 VanDerWaalsContact CE-N 3.31Å; M77-I82 WeakPolarHBondContact O-CD1 3.36Å; S78-I82 WeakPolarHBondContact O-CG1 3.26Å; S78-I82 PolarHBondContact O-N 2.99Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 3.2Å; I82-A85 PolarHBondContact O-N 2.84Å; I82-M86 HydrophobicContact CG2-CE 4.36Å; I82-M86 WeakPolarHBondContact O-CG 3.46Å; I82-M86 PolarHBondContact O-N 3.16Å; I82-F91 HydrophobicContact CG2-CE2 4.05Å; I82-F91 HydrophobicContact CG2-CZ 4.25Å; I82-M93 HydrophobicContact CD1-CE 3.75Å; I82-M93 HydrophobicContact CD1-SD 4.34Å; I82-P329 HydrophobicContact CG2-CB 4.15Å; I82-W332 HydrophobicContact CD1-CE3 4.1Å; I82-W332 HydrophobicContact CD1-CH2 3.89Å; I82-W332 HydrophobicContact CD1-CZ3 3.42Å; I82-W332 VanDerWaalsContact CD1-CZ3 3.42Å; I82-W332 HydrophobicContact CG2-CE3 4.49Å; I82-W332 HydrophobicContact CG2-CZ3 4.38Å; I82-M333 HydrophobicContact CB-SD 4.34Å; I82-M333 HydrophobicContact CG2-SD 3.84Å
83	Y	82.8	Confident	81.5	Confident	9 Å²	9	35.9 Å²	35.9	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-55.7	-46.6	176.3	177.2	-92	0	0	0	112.9	G79 S80 E81 M86 Y338 R341 K342 D345	G79-Y83 WeakPolarHBondContact O-CB 3.29Å; G79-Y83 PolarHBondContact O-N 2.84Å; S80-Y83 PolarHBondContact O-N 3.17Å; E81-Y83 PolarHBondContact O-N 3.09Å; Y83-M86 HydrophobicContact CD2-CE 4.26Å; Y83-Y338 AromaticContact CD2-CD2 3.99Å; Y83-Y338 HydrophobicContact CD2-CD2 3.99Å; Y83-Y338 HydrophobicContact CD2-CE2 4.25Å; Y83-Y338 AromaticContact CE2-CD2 3.98Å; Y83-Y338 HydrophobicContact CE2-CD2 3.98Å; Y83-Y338 AromaticContact CE2-CE2 3.98Å; Y83-Y338 HydrophobicContact CE2-CE2 3.98Å; Y83-R341 HydrophobicContact CD2-CB 3.72Å; Y83-R341 HydrophobicContact CD2-CG 4.43Å; Y83-R341 HydrophobicContact CE1-CB 4.42Å; Y83-R341 HydrophobicContact CE2-CB 3.55Å; Y83-R341 HydrophobicContact CG-CB 4.26Å; Y83-K342 VanDerWaalsContact OH-CA 3.22Å; Y83-K342 WeakPolarHBondContact OH-CA 3.05Å; Y83-K342 PolarHBondContact OH-N 3.17Å; Y83-D345 HydrophobicContact CE1-CB 3.87Å; Y83-D345 WeakPolarHBondContact CE1-OD2 3.17Å; Y83-D345 VanDerWaalsContact CZ-OD2 3.28Å; Y83-D345 WeakPolarHBondContact OH-CB 3.04Å; Y83-D345 PolarHBondContact OH-OD2 3.39Å
84	N	83.9	Confident	81.1	Confident	59 Å²	59	35.9 Å²	35.9	32%	0.316	20%	0.197	S	C	.	.	H	α-helix	trans	-69.8	-37.2	179.5	-72	-28.6	0	0	0	112.8	S80 E81 I82 M86 K87	S80-N84 PolarHBondContact O-N 2.91Å; S80-N84 PolarHBondContact O-ND2 3.23Å; E81-N84 PolarHBondContact O-N 3.41Å; I82-N84 VanDerWaalsContact C-N 3.34Å; I82-N84 PolarHBondContact O-N 3.2Å; N84-M86 VanDerWaalsContact C-N 3.33Å; N84-K87 VanDerWaalsContact O-CB 3.32Å; N84-K87 WeakPolarHBondContact O-CB 3.18Å; N84-K87 WeakPolarHBondContact O-CG 3.08Å; N84-K87 PolarHBondContact O-N 3.46Å
85	A	84.6	Confident	80.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.2	-34.6	179.1	0	0	0	0	0	112	I64 M77 E81 I82 K87 T88 A89 F91	I64-A85 HydrophobicContact CD1-CB 3.32Å; I64-A85 HydrophobicContact CG1-CB 4.07Å; M77-A85 HydrophobicContact CE-CB 3.36Å; E81-A85 WeakPolarHBondContact O-CB 3.45Å; E81-A85 PolarHBondContact O-N 3.12Å; I82-A85 PolarHBondContact O-N 2.84Å; A85-K87 PolarHBondContact O-N 3.32Å; A85-K87 VanDerWaalsContact O-N 3.1Å; A85-T88 PolarHBondContact O-N 3.22Å; A85-T88 VanDerWaalsContact O-N 3.09Å; A85-T88 PolarHBondContact O-OG1 2.69Å; A85-A89 PolarHBondContact O-N 3.06Å; A85-F91 HydrophobicContact CB-CE1 3.43Å; A85-F91 VanDerWaalsContact CB-CE1 3.43Å; A85-F91 HydrophobicContact CB-CZ 3.71Å
86	M	84.1	Confident	80.1	Confident	40 Å²	40	36.1 Å²	36.1	20%	0.197	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.6	175.6	-77.6	-169.3	-75.8	0	0	113.4	I82 Y83 N84 T88 A89 F91 P329 V330 M333 Y338	I82-M86 HydrophobicContact CG2-CE 4.36Å; I82-M86 WeakPolarHBondContact O-CG 3.46Å; I82-M86 PolarHBondContact O-N 3.16Å; Y83-M86 HydrophobicContact CD2-CE 4.26Å; N84-M86 VanDerWaalsContact C-N 3.33Å; M86-T88 VanDerWaalsContact C-N 3.33Å; M86-A89 WeakPolarHBondContact CA-O 3.45Å; M86-F91 HydrophobicContact CB-CZ 4.47Å; M86-F91 HydrophobicContact CG-CE1 4.42Å; M86-F91 HydrophobicContact CG-CE2 4.07Å; M86-F91 HydrophobicContact CG-CZ 3.65Å; M86-P329 HydrophobicContact CG-CB 4.02Å; M86-P329 HydrophobicContact SD-CB 3.54Å; M86-P329 VanDerWaalsContact SD-CB 3.54Å; M86-P329 HydrophobicContact SD-CG 4.5Å; M86-V330 HydrophobicContact CE-CG2 4.47Å; M86-V330 HydrophobicContact SD-CG2 3.64Å; M86-M333 HydrophobicContact CE-SD 3.53Å; M86-M333 VanDerWaalsContact CE-SD 3.53Å; M86-Y338 HydrophobicContact CE-CD2 3.78Å; M86-Y338 HydrophobicContact CE-CE2 3.93Å; M86-Y338 HydrophobicContact SD-CE2 4.41Å
87	K	82.5	Confident	79.8	Confident	114 Å²	114	35.2 Å²	35.2	50%	0.496	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.3	177.8	-58.4	178.5	178.1	-176.4	0	112.7	N84 A85 D345	N84-K87 VanDerWaalsContact O-CB 3.32Å; N84-K87 WeakPolarHBondContact O-CB 3.18Å; N84-K87 WeakPolarHBondContact O-CG 3.08Å; N84-K87 PolarHBondContact O-N 3.46Å; A85-K87 PolarHBondContact O-N 3.32Å; A85-K87 VanDerWaalsContact O-N 3.1Å; K87-D345 WeakPolarHBondContact CE-OD2 3.39Å; K87-D345 IonicContact NZ-OD1 3.67Å; K87-D345 PolarHBondContact NZ-OD1 2.92Å; K87-D345 IonicContact NZ-OD2 2.77Å; K87-D345 PolarHBondContact NZ-OD2 2.86Å
88	T	82.8	Confident	79.6	Confident	85 Å²	85	35.1 Å²	35.1	52%	0.521	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	-13.2	-171.9	56.4	0	0	0	0	112.9	Q68 A85 M86	Q68-T88 PolarHBondContact NE2-O 3.33Å; A85-T88 PolarHBondContact O-N 3.22Å; A85-T88 VanDerWaalsContact O-N 3.09Å; A85-T88 PolarHBondContact O-OG1 2.69Å; M86-T88 VanDerWaalsContact C-N 3.33Å
89	A	83.8	Confident	79.6	Confident	9 Å²	9	36 Å²	36	7%	0.074	19%	0.19	C	C	.	.			trans	-145.3	147.2	-176.3	0	0	0	0	0	113.8	I64 Q68 A85 M86 F91	I64-A89 HydrophobicContact CG2-CB 3.41Å; I64-A89 VanDerWaalsContact CG2-CB 3.41Å; Q68-A89 HydrophobicContact CG-CB 3.9Å; Q68-A89 VanDerWaalsContact NE2-CA 3.26Å; Q68-A89 VanDerWaalsContact NE2-CB 3.25Å; A85-A89 PolarHBondContact O-N 3.06Å; M86-A89 WeakPolarHBondContact CA-O 3.45Å; A89-F91 HydrophobicContact CB-CD1 4.02Å; A89-F91 HydrophobicContact CB-CE1 4.28Å
90	T	82.7	Confident	78.8	Confident	119 Å²	119	42 Å²	42	73%	0.73	22%	0.221	S	C	*	.			trans	-99.7	135.6	167.8	-49.4	0	0	0	0	109	F277	T90-F277 VanDerWaalsContact O-CE2 3.24Å; T90-F277 WeakPolarHBondContact O-CE2 3.35Å
91	F	82.3	Confident	77.9	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.035	25%	0.248	C	C	.	.			trans	-158.5	166.8	-178.9	46.8	-109.7	0	0	0	110.6	L67 M77 I82 A85 M86 A89 L275 P329	L67-F91 HydrophobicContact CD2-CB 4.34Å; M77-F91 HydrophobicContact CE-CZ 4.46Å; I82-F91 HydrophobicContact CG2-CE2 4.05Å; I82-F91 HydrophobicContact CG2-CZ 4.25Å; A85-F91 HydrophobicContact CB-CE1 3.43Å; A85-F91 VanDerWaalsContact CB-CE1 3.43Å; A85-F91 HydrophobicContact CB-CZ 3.71Å; M86-F91 HydrophobicContact CB-CZ 4.47Å; M86-F91 HydrophobicContact CG-CE1 4.42Å; M86-F91 HydrophobicContact CG-CE2 4.07Å; M86-F91 HydrophobicContact CG-CZ 3.65Å; A89-F91 HydrophobicContact CB-CD1 4.02Å; A89-F91 HydrophobicContact CB-CE1 4.28Å; F91-L275 HydrophobicContact CB-CB 4.03Å; F91-L275 HydrophobicContact CB-CD1 4.3Å; F91-L275 HydrophobicContact CB-CD2 4.05Å; F91-L275 HydrophobicContact CB-CG 4.35Å; F91-L275 HydrophobicContact CD1-CD1 4.1Å; F91-L275 HydrophobicContact CD2-CB 4.25Å; F91-L275 HydrophobicContact CD2-CD1 3.11Å; F91-L275 HydrophobicContact CD2-CD2 3.17Å; F91-L275 HydrophobicContact CD2-CG 3.63Å; F91-L275 HydrophobicContact CE1-CD1 4.19Å; F91-L275 HydrophobicContact CE2-CD1 3.16Å; F91-L275 HydrophobicContact CE2-CD2 3.83Å; F91-L275 HydrophobicContact CE2-CG 4.09Å; F91-L275 HydrophobicContact CG-CB 4.22Å; F91-L275 HydrophobicContact CG-CD1 3.57Å; F91-L275 HydrophobicContact CG-CD2 3.9Å; F91-L275 HydrophobicContact CG-CG 4.09Å; F91-L275 HydrophobicContact CZ-CD1 3.73Å; F91-P329 HydrophobicContact CD2-CB 4.3Å; F91-P329 HydrophobicContact CD2-CG 3.42Å; F91-P329 VanDerWaalsContact CD2-CG 3.42Å; F91-P329 HydrophobicContact CE2-CB 3.75Å; F91-P329 HydrophobicContact CE2-CG 3.38Å; F91-P329 WeakPolarHBondContact O-CD 3.3Å; F91-P329 WeakPolarHBondContact O-CG 3.48Å
92	K	81.8	Confident	76.6	Confident	108 Å²	108	44.1 Å²	44.1	47%	0.47	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	135.6	-178.9	-62.1	179.2	-179.9	171.9	0	112.8	L275 M276 N327	K92-L275 WeakPolarHBondContact O-CA 3.45Å; K92-L275 WeakPolarHBondContact O-CD2 3.27Å; K92-M276 PolarHBondContact O-N 3.49Å; K92-N327 CarbonylContact C-O 3.55Å; K92-N327 VanDerWaalsContact CA-O 3.29Å; K92-N327 WeakPolarHBondContact CA-O 3.25Å
93	M	78.1	Confident	75.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.1	176.4	-56.7	-56.4	-60.3	0	0	111.3	I82 L275 Q282 V324 N327 P329 W332	I82-M93 HydrophobicContact CD1-CE 3.75Å; I82-M93 HydrophobicContact CD1-SD 4.34Å; M93-L275 HydrophobicContact CB-CD2 4.49Å; M93-L275 HydrophobicContact CG-CD2 4.27Å; M93-L275 VanDerWaalsContact N-CD2 3.33Å; M93-L275 HydrophobicContact SD-CD2 3.42Å; M93-L275 WeakPolarHBondContact SD-CD2 3.49Å; M93-L275 HydrophobicContact SD-CG 4.23Å; M93-Q282 PolarHBondContact O-NE2 3.44Å; M93-V324 HydrophobicContact CB-CB 4.17Å; M93-V324 HydrophobicContact CB-CG1 3.8Å; M93-V324 HydrophobicContact CB-CG2 3.96Å; M93-V324 HydrophobicContact CG-CG1 4.45Å; M93-N327 PolarHBondContact N-O 3.5Å; M93-P329 HydrophobicContact CG-CB 4.46Å; M93-P329 HydrophobicContact CG-CG 4.36Å; M93-P329 HydrophobicContact SD-CB 4.21Å; M93-P329 HydrophobicContact SD-CG 4.3Å; M93-W332 HydrophobicContact CE-CD2 3.57Å; M93-W332 HydrophobicContact CE-CE3 3.67Å; M93-W332 HydrophobicContact CE-CG 4.09Å; M93-W332 HydrophobicContact CE-CH2 4.49Å; M93-W332 HydrophobicContact CE-CZ2 4.39Å; M93-W332 HydrophobicContact CE-CZ3 4.14Å; M93-W332 HydrophobicContact CG-CB 3.8Å; M93-W332 HydrophobicContact CG-CD2 4.27Å; M93-W332 HydrophobicContact CG-CG 3.86Å; M93-W332 HydrophobicContact SD-CD2 4.21Å; M93-W332 HydrophobicContact SD-CE3 4.08Å; M93-W332 HydrophobicContact SD-CG 4.42Å
94	A	77.4	Confident	73.6	Confident	5 Å²	5	49 Å²	49	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-33.6	176.6	0	0	0	0	0	114.2	V274 Q282 I285	A94-V274 WeakPolarHBondContact CA-O 3.25Å; A94-V274 WeakPolarHBondContact CB-O 3.49Å; A94-V274 PolarHBondContact N-O 2.79Å; A94-Q282 HydrophobicContact CB-CB 4.44Å; A94-I285 HydrophobicContact CB-CB 4.38Å; A94-I285 HydrophobicContact CB-CG2 4.34Å
95	A	78	Confident	72.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	151.9	179.9	0	0	0	0	0	112.1	L273 F286 L289 V324	A95-L273 CarbonylContact O-C 3.55Å; A95-L273 WeakPolarHBondContact O-CA 3.46Å; A95-L273 PolarHBondContact O-N 3.04Å; A95-F286 HydrophobicContact CB-CD2 4.06Å; A95-L289 HydrophobicContact CB-CD1 4.49Å; A95-V324 VanDerWaalsContact CA-CG2 3.48Å; A95-V324 VanDerWaalsContact N-CG2 3.32Å
96	S	76.9	Confident	70.6	Confident	9 Å²	9	47.4 Å²	47.4	6%	0.063	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.5	174.6	-168.5	0	0	0	0	111.3	S272 F321 E322	S96-S272 WeakPolarHBondContact CA-OG 3.17Å; S96-S272 WeakPolarHBondContact CB-OG 3.5Å; S96-S272 PolarHBondContact OG-OG 2.62Å; S96-F321 CarbonylContact O-C 3.56Å; S96-F321 VanDerWaalsContact O-CA 3.27Å; S96-F321 WeakPolarHBondContact O-CA 3.19Å; S96-E322 PolarHBondContact N-O 3.13Å; S96-E322 PolarHBondContact O-N 3.24Å
97	E	75.8	Confident	69.5	Low	7 Å²	7	48.2 Å²	48.2	3%	0.033	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	134	176.5	-74.2	-178.2	89	0	0	110.9	N271 L273 F314 S315 T318 F321	E97-N271 HydrophobicContact CB-CB 3.48Å; E97-N271 VanDerWaalsContact CB-CB 3.48Å; E97-N271 HydrophobicContact CG-CB 4.22Å; E97-N271 WeakPolarHBondContact OE2-CB 3.49Å; E97-L273 HydrophobicContact CG-CB 4.5Å; E97-F314 WeakPolarHBondContact OE1-CB 3.36Å; E97-S315 PolarHBondContact OE1-N 3.25Å; E97-T318 HydrophobicContact CB-CG2 3.79Å; E97-T318 HydrophobicContact CG-CG2 3.85Å; E97-T318 WeakPolarHBondContact OE1-CB 2.85Å; E97-T318 PolarHBondContact OE1-OG1 2.85Å; E97-F321 HydrophobicContact CG-CD1 4.01Å; E97-F321 HydrophobicContact CG-CE1 3.65Å
98	S	73.9	Confident	68.6	Low	4 Å²	4	42.8 Å²	42.8	3%	0.028	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.6	-177	179.3	0	0	0	0	112.2	T319 K320 E322	S98-T319 PolarHBondContact O-N 2.83Å; S98-T319 PolarHBondContact O-OG1 3.12Å; S98-T319 VanDerWaalsContact O-OG1 3.09Å; S98-K320 PolarHBondContact N-O 3.15Å; S98-K320 PolarHBondContact O-N 3.15Å; S98-K320 VanDerWaalsContact OG-CE 3.27Å; S98-K320 WeakPolarHBondContact OG-CE 3.42Å; S98-E322 PolarHBondContact OG-OE1 3.28Å
99	K	73.4	Confident	67.7	Low	62 Å²	62	38.9 Å²	38.9	27%	0.27	23%	0.228	S	C	.	.			trans	-117.2	146.4	-176.8	-51.7	-173.9	-179	174.9	0	109.8	G101 N271 L317 T319	K99-G101 PolarHBondContact O-N 3.46Å; K99-N271 WeakPolarHBondContact CE-ND2 3.45Å; K99-L317 HydrophobicContact CD-CB 3.85Å; K99-L317 VanDerWaalsContact CE-CB 3.43Å; K99-L317 WeakPolarHBondContact CG-O 3.11Å; K99-L317 VanDerWaalsContact NZ-CD1 3.29Å; K99-T319 VanDerWaalsContact C-OG1 3.31Å; K99-T319 VanDerWaalsContact CA-OG1 3.31Å; K99-T319 WeakPolarHBondContact CA-OG1 3.13Å
100	N	55.9	Low	67	Low	136 Å²	136	38.9 Å²	38.9	73%	0.727	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	122.8	-177.7	-89.4	-19.8	0	0	0	112.7	T319	N100-T319 HydrophobicContact CB-CG2 4.17Å; N100-T319 PolarHBondContact N-OG1 2.94Å
101	G	55.7	Low	66.3	Low	82 Å²	82	33.6 Å²	33.6	85%	0.845	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.4	0.3	164.9	0	0	0	0	0	117.2	K99	K99-G101 PolarHBondContact O-N 3.46Å
102	D	52	Low	65.7	Low	70 Å²	70	33.3 Å²	33.3	37%	0.374	20%	0.195	S	C	.	.	S	Bend	trans	-146.5	152.7	172.4	-116	-31.8	0	0	0	109.3	L225	D102-L225 HydrophobicContact CB-CD2 4.31Å; D102-L225 WeakPolarHBondContact OD2-CD2 3.05Å
103	T	51.1	Low	65	Low	82 Å²	82	30.5 Å²	30.5	50%	0.503	18%	0.183	S	C	.	.			trans	-53.9	147.6	163.4	44.6	0	0	0	0	108.6	S105	T103-S105 WeakPolarHBondContact CB-OG 3.4Å; T103-S105 PolarHBondContact O-N 3.1Å; T103-S105 PolarHBondContact OG1-OG 3.24Å
104	S	49.9	Very low	64.5	Low	30 Å²	30	35.5 Å²	35.5	21%	0.21	20%	0.204	C	C	.	.	S	Bend	trans	-64.6	30.8	-175.7	49.2	0	0	0	0	115
105	S	54.9	Low	64.3	Low	15 Å²	15	39.8 Å²	39.8	11%	0.105	23%	0.234	C	C	.	.			trans	-155.4	152.9	-152.4	61	0	0	0	0	112	T103 S267	T103-S105 WeakPolarHBondContact CB-OG 3.4Å; T103-S105 PolarHBondContact O-N 3.1Å; T103-S105 PolarHBondContact OG1-OG 3.24Å; S105-S267 VanDerWaalsContact CB-CA 3.45Å; S105-S267 WeakPolarHBondContact CB-OG 3.41Å
106	Y	50.8	Low	63.9	Low	10 Å²	10	43.4 Å²	43.4	4%	0.039	25%	0.253	C	S	.	.			trans	-131.8	154	170.5	68.5	-94.9	0	0	0	111.6	T137 A138 H223 L266 E268	Y106-T137 WeakPolarHBondContact OH-CB 3.48Å; Y106-T137 VanDerWaalsContact OH-CG2 3.24Å; Y106-T137 WeakPolarHBondContact OH-CG2 3.47Å; Y106-A138 HydrophobicContact CE2-CB 4.09Å; Y106-H223 WeakPolarHBondContact CB-CE1 3.45Å; Y106-H223 VanDerWaalsContact CB-ND1 3.35Å; Y106-H223 WeakPolarHBondContact CB-ND1 3.43Å; Y106-H223 AromaticContact CD1-CE1 3.69Å; Y106-H223 AromaticContact CD2-CE1 3.63Å; Y106-H223 AromaticContact CD2-ND1 3.13Å; Y106-H223 WeakPolarHBondContact CD2-ND1 3.17Å; Y106-H223 AromaticContact CE2-ND1 3.89Å; Y106-H223 AromaticContact CG-CE1 3.22Å; Y106-H223 AromaticContact CG-ND1 3.24Å; Y106-L266 CarbonylContact O-C 3.49Å; Y106-E268 HydrophobicContact CD1-CB 4.31Å; Y106-E268 HydrophobicContact CE1-CB 3.61Å; Y106-E268 HydrophobicContact CE1-CG 4.34Å; Y106-E268 WeakPolarHBondContact CE1-OE2 3.5Å; Y106-E268 PolarHBondContact OH-OE2 3.16Å
107	Y	59.1	Low	63.5	Low	57 Å²	57	47.1 Å²	47.1	22%	0.224	28%	0.28	C	S	.	.			trans	-88.3	127	177	-56.6	-100.6	0	0	0	110	V224 W264 S265	Y107-V224 PolarHBondContact O-N 3.17Å; Y107-W264 WeakPolarHBondContact CD1-O 3.35Å; Y107-S265 WeakPolarHBondContact CE1-OG 3.36Å
108	A	64	Low	63.6	Low	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	129.1	158.6	0	0	0	0	0	107.7	A138 M142 T221 W264	A108-A138 HydrophobicContact CB-CB 4Å; A108-M142 HydrophobicContact CB-CB 3.88Å; A108-M142 HydrophobicContact CB-CG 4.08Å; A108-T221 HydrophobicContact CB-CG2 4.45Å; A108-W264 HydrophobicContact CB-CE3 4.43Å; A108-W264 WeakPolarHBondContact O-CB 3.38Å
109	V	63.6	Low	63.8	Low	3 Å²	3	51.4 Å²	51.4	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	137.7	-177.6	-57.2	0	0	0	0	112.3	V111 T221 K222 V224 V258 L260	V109-V111 HydrophobicContact CG2-CG2 4.04Å; V109-T221 VanDerWaalsContact C-CG2 3.47Å; V109-T221 CarbonylContact O-C 3.6Å; V109-T221 WeakPolarHBondContact O-CA 3.38Å; V109-T221 WeakPolarHBondContact O-CG2 3.36Å; V109-K222 HydrophobicContact CG2-CB 4.23Å; V109-K222 WeakPolarHBondContact CG2-O 3.28Å; V109-K222 PolarHBondContact N-O 1.98Å; V109-K222 PolarHBondContact O-N 2.89Å; V109-V224 HydrophobicContact CB-CG2 4.17Å; V109-V224 HydrophobicContact CG1-CG2 3.55Å; V109-V224 HydrophobicContact CG2-CG2 3.44Å; V109-V224 VanDerWaalsContact CG2-CG2 3.44Å; V109-V258 HydrophobicContact CB-CG1 3.81Å; V109-V258 HydrophobicContact CG1-CG1 4.4Å; V109-V258 HydrophobicContact CG2-CG1 3.84Å; V109-L260 HydrophobicContact CB-CD2 4.4Å; V109-L260 HydrophobicContact CG1-CD2 3.5Å
110	A	70.1	Confident	63.9	Low	9 Å²	9	50.7 Å²	50.7	7%	0.074	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.6	171.8	0	0	0	0	0	111.4	F220 F259	A110-F220 CarbonylContact C-O 3.59Å; A110-F220 WeakPolarHBondContact CA-O 3.34Å; A110-F259 HydrophobicContact CB-CB 4.4Å; A110-F259 PolarHBondContact O-N 3.13Å
111	V	68.1	Low	64.8	Low	8 Å²	8	45.7 Å²	45.7	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.2	-171.5	-174.3	0	0	0	0	109.4	V109 L219 F220 K222 Y256 V258	V109-V111 HydrophobicContact CG2-CG2 4.04Å; V111-L219 CarbonylContact O-C 3.47Å; V111-L219 WeakPolarHBondContact O-CA 3.36Å; V111-F220 HydrophobicContact CB-CB 4.42Å; V111-F220 PolarHBondContact N-O 2.92Å; V111-F220 PolarHBondContact O-N 2.9Å; V111-K222 HydrophobicContact CG2-CB 4.33Å; V111-Y256 HydrophobicContact CG1-CD1 4.16Å; V111-Y256 HydrophobicContact CG1-CG 4.41Å; V111-V258 HydrophobicContact CG2-CG2 4.38Å
112	V	68.4	Low	65.9	Low	3 Å²	3	45 Å²	45	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.1	177.8	-52.2	0	0	0	0	110.6	I119 L219 Y256 Q257 F259	V112-I119 HydrophobicContact CG1-CG2 4.35Å; V112-L219 HydrophobicContact CB-CD1 4.21Å; V112-L219 HydrophobicContact CG1-CD1 3.24Å; V112-L219 HydrophobicContact CG1-CG 3.68Å; V112-Y256 CarbonylContact O-C 3.4Å; V112-Y256 VanDerWaalsContact O-CA 3.26Å; V112-Y256 WeakPolarHBondContact O-CA 3.29Å; V112-Q257 HydrophobicContact CG2-CB 3.85Å; V112-Q257 HydrophobicContact CG2-CG 4.36Å; V112-Q257 PolarHBondContact N-O 3.33Å; V112-Q257 PolarHBondContact O-N 2.94Å; V112-F259 HydrophobicContact CB-CE2 4.19Å; V112-F259 HydrophobicContact CG1-CD2 3.95Å; V112-F259 HydrophobicContact CG1-CE2 3.56Å; V112-F259 HydrophobicContact CG2-CD2 4.32Å; V112-F259 HydrophobicContact CG2-CE2 3.49Å; V112-F259 VanDerWaalsContact CG2-CE2 3.49Å; V112-F259 HydrophobicContact CG2-CZ 4.13Å
113	K	67.3	Low	67.3	Low	49 Å²	49	44.4 Å²	44.4	21%	0.213	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.2	169.8	-72.5	-179.4	169.7	180	0	109.7	S115 N116 Q217 Y255 Y256	K113-S115 PolarHBondContact O-N 3.44Å; K113-N116 WeakPolarHBondContact O-CA 3.46Å; K113-N116 PolarHBondContact O-N 2.99Å; K113-Q217 WeakPolarHBondContact CD-O 3.19Å; K113-Q217 WeakPolarHBondContact CE-O 3.2Å; K113-Q217 PolarHBondContact NZ-O 2.76Å; K113-Y255 CarbonylContact C-O 3.57Å; K113-Y256 HydrophobicContact CG-CD1 4.01Å; K113-Y256 HydrophobicContact CG-CE1 3.73Å
114	K	68.9	Low	68.9	Low	104 Å²	104	41 Å²	41	45%	0.452	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-61.7	-26.3	175	-74.3	-163.8	-164	167.9	0	113.3	N116 S117 K254 Y255 Y256 Q257	K114-N116 PolarHBondContact O-N 3.34Å; K114-N116 VanDerWaalsContact O-N 3.12Å; K114-S117 PolarHBondContact O-N 3.14Å; K114-K254 WeakPolarHBondContact CD-O 3.19Å; K114-K254 WeakPolarHBondContact CE-O 3.13Å; K114-K254 PolarHBondContact NZ-O 2.58Å; K114-Y255 PolarHBondContact N-O 3.27Å; K114-Y256 WeakPolarHBondContact CE-O 3.18Å; K114-Y256 VanDerWaalsContact CG-C 3.47Å; K114-Q257 HydrophobicContact CG-CB 4.11Å
115	S	72.1	Confident	70.7	Confident	96 Å²	96	45.9 Å²	45.9	67%	0.671	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-58.5	-20.7	171.7	62.2	0	0	0	0	112.4	K113	K113-S115 PolarHBondContact O-N 3.44Å
116	N	69.6	Low	72.4	Confident	75 Å²	75	47.3 Å²	47.3	40%	0.401	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-110.9	49	179.2	-59.8	-13.1	0	0	0	110.7	K113 K114 A118 I119	K113-N116 WeakPolarHBondContact O-CA 3.46Å; K113-N116 PolarHBondContact O-N 2.99Å; K114-N116 PolarHBondContact O-N 3.34Å; K114-N116 VanDerWaalsContact O-N 3.12Å; N116-A118 PolarHBondContact O-N 2.83Å; N116-A118 VanDerWaalsContact O-N 3.09Å; N116-I119 HydrophobicContact CB-CD1 3.77Å; N116-I119 HydrophobicContact CB-CG1 4.14Å; N116-I119 PolarHBondContact O-N 3.36Å
117	S	69.8	Low	74.2	Confident	88 Å²	88	50.9 Å²	50.9	62%	0.615	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.5	-177.2	56.5	0	0	0	0	114.5	K114 I119	K114-S117 PolarHBondContact O-N 3.14Å; S117-I119 VanDerWaalsContact C-N 3.3Å
118	A	78.1	Confident	75.5	Confident	76 Å²	76	53.1 Å²	53.1	63%	0.628	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.4	175.1	0	0	0	0	0	113.3	N116 N120 N123	N116-A118 PolarHBondContact O-N 2.83Å; N116-A118 VanDerWaalsContact O-N 3.09Å; A118-N120 PolarHBondContact O-ND2 3.34Å; A118-N123 PolarHBondContact O-ND2 3.13Å
119	I	77	Confident	76.7	Confident	24 Å²	24	53.2 Å²	53.2	12%	0.123	30%	0.299	C	S	.	.			trans	-73.9	131.3	179.2	-57.7	177.1	0	0	0	109.1	V112 N116 S117 N123 L124 L219 F259	V112-I119 HydrophobicContact CG1-CG2 4.35Å; N116-I119 HydrophobicContact CB-CD1 3.77Å; N116-I119 HydrophobicContact CB-CG1 4.14Å; N116-I119 PolarHBondContact O-N 3.36Å; S117-I119 VanDerWaalsContact C-N 3.3Å; I119-N123 WeakPolarHBondContact CA-OD1 2.98Å; I119-L124 HydrophobicContact CG2-CD2 3.72Å; I119-L219 HydrophobicContact CB-CD1 4.48Å; I119-L219 HydrophobicContact CD1-CD1 4.07Å; I119-L219 HydrophobicContact CG2-CD1 3.53Å; I119-F259 WeakPolarHBondContact O-CZ 3.07Å
120	N	75.7	Confident	77.6	Confident	48 Å²	48	53.2 Å²	53.2	26%	0.257	30%	0.299	S	S	.	.			trans	-144.8	174.9	172.3	66.7	81.4	0	0	0	109.9	A118 N122 N123 F259	A118-N120 PolarHBondContact O-ND2 3.34Å; N120-N122 PolarHBondContact O-N 2.93Å; N120-N122 VanDerWaalsContact OD1-CB 3.29Å; N120-N122 WeakPolarHBondContact OD1-CB 3.46Å; N120-N122 PolarHBondContact OD1-N 2.95Å; N120-N122 PolarHBondContact OD1-ND2 2.83Å; N120-N123 PolarHBondContact N-OD1 3.04Å; N120-N123 PolarHBondContact ND2-ND2 3.39Å; N120-N123 PolarHBondContact O-N 2.89Å; N120-N123 VanDerWaalsContact O-N 3.09Å; N120-N123 PolarHBondContact O-OD1 3.41Å; N120-F259 HydrophobicContact CB-CE1 4.02Å; N120-F259 HydrophobicContact CB-CZ 4.09Å
121	I	75.7	Confident	78.2	Confident	31 Å²	31	53.1 Å²	53.1	16%	0.159	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29.8	-176	-167.8	60.7	0	0	0	113.6	N123 L124 Y146 L147 F152 W264	I121-N123 PolarHBondContact O-N 2.84Å; I121-L124 HydrophobicContact CD1-CD1 3.81Å; I121-Y146 HydrophobicContact CD1-CD1 4.4Å; I121-Y146 HydrophobicContact CD1-CE1 3.99Å; I121-Y146 HydrophobicContact CG1-CE1 3.87Å; I121-L147 HydrophobicContact CD1-CD2 4.11Å; I121-F152 HydrophobicContact CG1-CE2 4.27Å; I121-W264 HydrophobicContact CD1-CZ2 3.98Å
122	N	77.1	Confident	78.5	Confident	68 Å²	68	52.8 Å²	52.8	36%	0.364	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-84.8	-7	-175.3	-48.7	-66.9	0	0	0	113.7	N120 R436	N120-N122 PolarHBondContact O-N 2.93Å; N120-N122 VanDerWaalsContact OD1-CB 3.29Å; N120-N122 WeakPolarHBondContact OD1-CB 3.46Å; N120-N122 PolarHBondContact OD1-N 2.95Å; N120-N122 PolarHBondContact OD1-ND2 2.83Å; N122-R436 PolarHBondContact ND2-NH1 3.11Å; N122-R436 VanDerWaalsContact ND2-NH1 3.15Å
123	N	81.7	Confident	79	Confident	57 Å²	57	52.6 Å²	52.6	31%	0.305	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-129	31.5	-176.8	72.2	8.8	0	0	0	113.4	A118 I119 N120 I121 K125 K127	A118-N123 PolarHBondContact O-ND2 3.13Å; I119-N123 WeakPolarHBondContact CA-OD1 2.98Å; N120-N123 PolarHBondContact N-OD1 3.04Å; N120-N123 PolarHBondContact ND2-ND2 3.39Å; N120-N123 PolarHBondContact O-N 2.89Å; N120-N123 VanDerWaalsContact O-N 3.09Å; N120-N123 PolarHBondContact O-OD1 3.41Å; I121-N123 PolarHBondContact O-N 2.84Å; N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K127 VanDerWaalsContact O-CE 3.28Å; N123-K127 WeakPolarHBondContact O-CE 3.32Å; N123-K127 WeakPolarHBondContact O-CG 3.44Å
124	L	85.6	Confident	80	Confident	11 Å²	11	52.2 Å²	52.2	6%	0.058	29%	0.293	C	S	.	.			trans	-75.7	-19.8	177	-64	-172.6	0	0	0	113.8	I119 I121 G126 K127 L147 F167 F168 L219	I119-L124 HydrophobicContact CG2-CD2 3.72Å; I121-L124 HydrophobicContact CD1-CD1 3.81Å; L124-G126 PolarHBondContact O-N 2.03Å; L124-K127 VanDerWaalsContact O-CB 3.23Å; L124-K127 WeakPolarHBondContact O-CB 3.43Å; L124-K127 WeakPolarHBondContact O-CG 3.43Å; L124-K127 PolarHBondContact O-N 2.93Å; L124-L147 HydrophobicContact CD1-CD2 4.35Å; L124-F167 HydrophobicContact CB-CE1 3.74Å; L124-F167 HydrophobicContact CB-CZ 3.93Å; L124-F168 HydrophobicContact CB-CE1 4.14Å; L124-L219 HydrophobicContact CD1-CD2 4.46Å; L124-L219 HydrophobicContact CD2-CD1 4.01Å; L124-L219 HydrophobicContact CD2-CD2 3.67Å
125	K	87.9	Confident	80.6	Confident	131 Å²	131	49.8 Å²	49.8	57%	0.57	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	133.1	176.6	-168.2	170.7	-177.5	171	0	110.5	N123 K127 F167	N123-K125 VanDerWaalsContact C-N 3.34Å; K125-K127 PolarHBondContact O-N 3.49Å; K125-F167 CarbonylContact C-O 3.37Å; K125-F167 WeakPolarHBondContact CA-O 3.15Å; K125-F167 HydrophobicContact CB-CD2 4.13Å; K125-F167 HydrophobicContact CB-CE2 3.69Å; K125-F167 HydrophobicContact CB-CZ 4.05Å; K125-F167 HydrophobicContact CD-CD2 4.46Å; K125-F167 HydrophobicContact CD-CE2 4.49Å; K125-F167 HydrophobicContact CG-CD2 4.06Å; K125-F167 HydrophobicContact CG-CE2 4.11Å
126	G	89	Confident	80.9	Confident	46 Å²	46	47.9 Å²	47.9	47%	0.474	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	3.5	-176.2	0	0	0	0	0	114.8	L124 F167 S169	L124-G126 PolarHBondContact O-N 2.03Å; G126-F167 PolarHBondContact N-O 3.36Å; G126-S169 VanDerWaalsContact O-CB 3.31Å; G126-S169 WeakPolarHBondContact O-CB 3.42Å; G126-S169 PolarHBondContact O-OG 3.38Å
127	K	88.6	Confident	80.9	Confident	85 Å²	85	45.2 Å²	45.2	37%	0.37	26%	0.261	S	S	.	.			trans	-82.7	173.6	173.9	-55.2	-55.7	179.7	-169	0	111	N123 L124 K125 F168 S169	N123-K127 VanDerWaalsContact O-CE 3.28Å; N123-K127 WeakPolarHBondContact O-CE 3.32Å; N123-K127 WeakPolarHBondContact O-CG 3.44Å; L124-K127 VanDerWaalsContact O-CB 3.23Å; L124-K127 WeakPolarHBondContact O-CB 3.43Å; L124-K127 WeakPolarHBondContact O-CG 3.43Å; L124-K127 PolarHBondContact O-N 2.93Å; K125-K127 PolarHBondContact O-N 3.49Å; K127-F168 CarbonylContact O-C 3.31Å; K127-F168 WeakPolarHBondContact O-CA 3.38Å; K127-F168 WeakPolarHBondContact O-CB 3.22Å; K127-S169 VanDerWaalsContact C-OG 3.31Å; K127-S169 PolarHBondContact O-N 2.5Å; K127-S169 PolarHBondContact O-OG 3.26Å
128	K	88.1	Confident	80.8	Confident	103 Å²	103	41 Å²	41	45%	0.448	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142	172.4	-73.3	-179.3	-177.2	-178.7	0	109.2	S169 A170 L188 T218 L219	K128-S169 WeakPolarHBondContact CG-OG 3.35Å; K128-A170 VanDerWaalsContact CA-O 3.27Å; K128-A170 WeakPolarHBondContact CA-O 3.47Å; K128-A170 HydrophobicContact CG-CB 4.38Å; K128-L188 HydrophobicContact CB-CD1 3.84Å; K128-L188 HydrophobicContact CD-CD1 4.17Å; K128-L188 HydrophobicContact CD-CD2 4.09Å; K128-L188 HydrophobicContact CG-CD1 4.11Å; K128-T218 HydrophobicContact CB-CG2 3.55Å; K128-T218 HydrophobicContact CD-CG2 4.48Å; K128-L219 WeakPolarHBondContact O-CB 3.15Å
129	S	87.7	Confident	80.5	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.3	-178	69.6	0	0	0	0	112.6	H131 A170 S171 C172	S129-H131 VanDerWaalsContact CB-NE2 3.32Å; S129-H131 WeakPolarHBondContact CB-NE2 3.27Å; S129-H131 PolarHBondContact OG-CD2 2.96Å; S129-H131 PolarHBondContact OG-NE2 3.35Å; S129-A170 PolarHBondContact N-O 3.01Å; S129-A170 VanDerWaalsContact N-O 3.12Å; S129-S171 CarbonylContact O-C 3.59Å; S129-S171 WeakPolarHBondContact O-CA 3.42Å; S129-S171 WeakPolarHBondContact OG-CB 3.45Å; S129-S171 PolarHBondContact OG-OG 2.68Å; S129-C172 PolarHBondContact O-N 2.71Å; S129-C172 VanDerWaalsContact O-N 3.1Å
130	C	82.4	Confident	80.9	Confident	3 Å²	3	37 Å²	37	2%	0.02	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.2	177.5	-70.7	0	0	0	0	110.7	N216 T218 L219 F220	C130-N216 PolarHBondContact SG-ND2 3.02Å; C130-T218 PolarHBondContact SG-O 3.18Å; C130-L219 PolarHBondContact N-O 3.37Å; C130-F220 HydrophobicContact CB-CD1 3.28Å; C130-F220 HydrophobicContact CB-CE1 2.94Å; C130-F220 HydrophobicContact CB-CG 4.47Å; C130-F220 HydrophobicContact CB-CZ 3.97Å; C130-F220 WeakPolarHBondContact SG-CE1 3.48Å
131	H	84.5	Confident	81.2	Confident	7 Å²	7	35.1 Å²	35.1	3%	0.032	19%	0.189	C	C	.	.			trans	-131.8	149	-164.4	-60.4	-101.3	0	0	0	109.8	S129 G133 G139 C172 I173 P174	S129-H131 VanDerWaalsContact CB-NE2 3.32Å; S129-H131 WeakPolarHBondContact CB-NE2 3.27Å; S129-H131 PolarHBondContact OG-CD2 2.96Å; S129-H131 PolarHBondContact OG-NE2 3.35Å; H131-G133 PolarHBondContact O-N 2.98Å; H131-G139 VanDerWaalsContact CB-O 3.31Å; H131-G139 WeakPolarHBondContact CB-O 3.32Å; H131-G139 PolarHBondContact ND1-O 2.91Å; H131-C172 PolarHBondContact N-O 3.48Å; H131-I173 HydrophobicContact CB-CB 4.43Å; H131-I173 HydrophobicContact CB-CG1 4.07Å; H131-I173 HydrophobicContact CB-CG2 4.22Å; H131-I173 VanDerWaalsContact CD2-CG1 3.49Å; H131-I173 WeakPolarHBondContact CD2-CG1 3.36Å; H131-P174 WeakPolarHBondContact O-CD 3.25Å
132	T	74.1	Confident	81.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-69.3	-17.6	-179.4	63.3	0	0	0	0	113.5	R136 G139 Y208 S209 Y210 A213	T132-R136 WeakPolarHBondContact O-CD 3.18Å; T132-G139 VanDerWaalsContact OG1-CA 3.28Å; T132-G139 WeakPolarHBondContact OG1-CA 3.28Å; T132-G139 PolarHBondContact OG1-N 3.49Å; T132-Y208 WeakPolarHBondContact O-CD2 3.27Å; T132-Y208 WeakPolarHBondContact O-CE2 3.47Å; T132-S209 PolarHBondContact O-N 3.42Å; T132-S209 VanDerWaalsContact O-N 3.12Å; T132-Y210 HydrophobicContact CG2-CD1 3.63Å; T132-Y210 HydrophobicContact CG2-CE1 3.95Å; T132-Y210 HydrophobicContact CG2-CG 4.37Å; T132-A213 HydrophobicContact CG2-CB 4.36Å
133	G	78.1	Confident	81.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.			trans	147.4	150.8	-179	0	0	0	0	0	112.2	H131 R136 W140 P174	H131-G133 PolarHBondContact O-N 2.98Å; G133-R136 WeakPolarHBondContact O-CB 3.12Å; G133-R136 PolarHBondContact O-N 2.86Å; G133-W140 WeakPolarHBondContact O-CB 3.48Å; G133-P174 CarbonylContact C-O 3.58Å; G133-P174 WeakPolarHBondContact CA-O 3.38Å
134	K	87.9	Confident	82.2	Confident	41 Å²	41	28.2 Å²	28.2	18%	0.178	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.5	175.9	-169.5	179.9	-176.5	-178.4	0	109.8	R136 W140 I173 P174 G175 A176 E178 D181	K134-R136 PolarHBondContact O-N 3.45Å; K134-R136 VanDerWaalsContact O-N 3.14Å; K134-W140 HydrophobicContact CG-CD2 4.35Å; K134-W140 HydrophobicContact CG-CE3 4.46Å; K134-W140 HydrophobicContact CG-CH2 4.27Å; K134-W140 HydrophobicContact CG-CZ2 4.13Å; K134-W140 HydrophobicContact CG-CZ3 4.43Å; K134-I173 HydrophobicContact CB-CG2 4.2Å; K134-P174 PolarHBondContact N-O 3.1Å; K134-G175 VanDerWaalsContact CD-O 3.29Å; K134-G175 WeakPolarHBondContact CD-O 3.47Å; K134-A176 HydrophobicContact CD-CB 4.33Å; K134-E178 IonicContact NZ-OE2 2.8Å; K134-E178 PolarHBondContact NZ-OE2 2.97Å; K134-D181 VanDerWaalsContact NZ-CG 3.26Å; K134-D181 IonicContact NZ-OD1 3.66Å; K134-D181 PolarHBondContact NZ-OD1 2.83Å; K134-D181 IonicContact NZ-OD2 2.79Å; K134-D181 PolarHBondContact NZ-OD2 3Å
135	G	82.6	Confident	82.4	Confident	52 Å²	52	27.7 Å²	27.7	54%	0.536	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-8.4	-179.2	0	0	0	0	0	116.3	W140	G135-W140 VanDerWaalsContact N-CD1 3.29Å; G135-W140 VanDerWaalsContact N-CG 3.32Å
136	R	77.4	Confident	82.4	Confident	56 Å²	56	22.4 Å²	22.4	21%	0.211	13%	0.127	C	C	.	.			trans	-77.8	143.6	178.5	-62.7	-171.7	65.8	168.1	0.3	112	T132 G133 K134 W140 T141 S209	T132-R136 WeakPolarHBondContact O-CD 3.18Å; G133-R136 WeakPolarHBondContact O-CB 3.12Å; G133-R136 PolarHBondContact O-N 2.86Å; K134-R136 PolarHBondContact O-N 3.45Å; K134-R136 VanDerWaalsContact O-N 3.14Å; R136-W140 WeakPolarHBondContact O-CA 3.49Å; R136-W140 VanDerWaalsContact O-CB 3.25Å; R136-W140 WeakPolarHBondContact O-CB 3.23Å; R136-W140 PolarHBondContact O-N 2.74Å; R136-T141 PolarHBondContact O-N 3.39Å; R136-S209 VanDerWaalsContact NH1-CA 3.32Å; R136-S209 PolarHBondContact NH1-OG 2.93Å; R136-S209 VanDerWaalsContact NH1-OG 3.12Å
137	T	70.9	Confident	82.4	Confident	19 Å²	19	20.4 Å²	20.4	12%	0.117	11%	0.106	C	C	.	.	I	π-helix	trans	-58.7	-65.4	-174.2	-54.4	0	0	0	0	113.5	Y106 G139 T141 M142 E268	Y106-T137 WeakPolarHBondContact OH-CB 3.48Å; Y106-T137 VanDerWaalsContact OH-CG2 3.24Å; Y106-T137 WeakPolarHBondContact OH-CG2 3.47Å; T137-G139 PolarHBondContact O-N 2.95Å; T137-T141 PolarHBondContact O-N 2.83Å; T137-M142 HydrophobicContact CG2-CG 3.63Å; T137-M142 HydrophobicContact CG2-SD 4.07Å; T137-M142 WeakPolarHBondContact O-CB 3.02Å; T137-M142 VanDerWaalsContact O-CG 3.29Å; T137-M142 WeakPolarHBondContact O-CG 3.34Å; T137-M142 PolarHBondContact O-N 3.24Å; T137-E268 HydrophobicContact CG2-CB 4.14Å; T137-E268 HydrophobicContact CG2-CG 4.31Å; T137-E268 PolarHBondContact OG1-OE1 2.95Å; T137-E268 PolarHBondContact OG1-OE2 3.36Å
138	A	67.6	Low	82.6	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-68.1	-31.8	-175.3	0	0	0	0	0	114.3	Y106 A108 P143 Y210 T221	Y106-A138 HydrophobicContact CE2-CB 4.09Å; A108-A138 HydrophobicContact CB-CB 4Å; A138-P143 VanDerWaalsContact O-CD 3.26Å; A138-P143 WeakPolarHBondContact O-CD 3.21Å; A138-Y210 HydrophobicContact CB-CE1 3.9Å; A138-T221 WeakPolarHBondContact O-CB 3.36Å; A138-T221 WeakPolarHBondContact O-CG2 3.17Å
139	G	70.9	Confident	82.8	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-92.2	-20.3	-175.2	0	0	0	0	0	114.5	H131 T132 T137	H131-G139 VanDerWaalsContact CB-O 3.31Å; H131-G139 WeakPolarHBondContact CB-O 3.32Å; H131-G139 PolarHBondContact ND1-O 2.91Å; T132-G139 VanDerWaalsContact OG1-CA 3.28Å; T132-G139 WeakPolarHBondContact OG1-CA 3.28Å; T132-G139 PolarHBondContact OG1-N 3.49Å; T137-G139 PolarHBondContact O-N 2.95Å
140	W	84.6	Confident	82.8	Confident	16 Å²	16	13 Å²	13	6%	0.061	7%	0.074	C	C	.	.	I	π-helix	trans	-131.4	-66	-173.8	177.4	-90.7	0	0	0	111.2	G133 K134 G135 R136 M142 P143 L144 I160 P161 V164 I173 M344	G133-W140 WeakPolarHBondContact O-CB 3.48Å; K134-W140 HydrophobicContact CG-CD2 4.35Å; K134-W140 HydrophobicContact CG-CE3 4.46Å; K134-W140 HydrophobicContact CG-CH2 4.27Å; K134-W140 HydrophobicContact CG-CZ2 4.13Å; K134-W140 HydrophobicContact CG-CZ3 4.43Å; G135-W140 VanDerWaalsContact N-CD1 3.29Å; G135-W140 VanDerWaalsContact N-CG 3.32Å; R136-W140 WeakPolarHBondContact O-CA 3.49Å; R136-W140 VanDerWaalsContact O-CB 3.25Å; R136-W140 WeakPolarHBondContact O-CB 3.23Å; R136-W140 PolarHBondContact O-N 2.74Å; W140-M142 PolarHBondContact O-N 2.79Å; W140-P143 WeakPolarHBondContact O-CD 3.27Å; W140-L144 HydrophobicContact CD2-CD1 3.49Å; W140-L144 VanDerWaalsContact CD2-CD1 3.49Å; W140-L144 HydrophobicContact CE3-CD1 3.43Å; W140-L144 VanDerWaalsContact CE3-CD1 3.43Å; W140-L144 HydrophobicContact CG-CD1 4.08Å; W140-L144 HydrophobicContact CH2-CD1 3.99Å; W140-L144 HydrophobicContact CZ2-CD1 4.05Å; W140-L144 HydrophobicContact CZ3-CD1 3.68Å; W140-L144 WeakPolarHBondContact O-CB 3.48Å; W140-L144 VanDerWaalsContact O-CG 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.18Å; W140-L144 PolarHBondContact O-N 3.16Å; W140-I160 HydrophobicContact CH2-CG2 4.35Å; W140-I160 HydrophobicContact CZ2-CG2 3.78Å; W140-P161 HydrophobicContact CH2-CG 4.38Å; W140-V164 HydrophobicContact CH2-CG2 4.35Å; W140-V164 HydrophobicContact CZ3-CG2 4.48Å; W140-I173 HydrophobicContact CE3-CD1 4.2Å; W140-I173 HydrophobicContact CE3-CG2 3.6Å; W140-I173 HydrophobicContact CZ3-CD1 3.65Å; W140-I173 HydrophobicContact CZ3-CG2 3.6Å; W140-M344 HydrophobicContact CG-CE 4.46Å
141	T	83.6	Confident	83.1	Confident	8 Å²	8	13.5 Å²	13.5	5%	0.049	8%	0.079	C	C	.	.	I	π-helix	trans	-59.7	-50.6	-171.9	-51.2	0	0	0	0	112.6	R136 T137 G145 V340 M344	R136-T141 PolarHBondContact O-N 3.39Å; T137-T141 PolarHBondContact O-N 2.83Å; T141-G145 WeakPolarHBondContact O-CA 3.19Å; T141-G145 PolarHBondContact O-N 3.16Å; T141-V340 VanDerWaalsContact O-CG1 3.3Å; T141-V340 WeakPolarHBondContact O-CG1 3.26Å; T141-M344 HydrophobicContact CG2-CB 4.39Å; T141-M344 HydrophobicContact CG2-CG 4.12Å
142	M	81.4	Confident	83.3	Confident	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-67	-55.8	-176.9	-62.1	-47.9	-51.3	0	0	113.5	A108 T137 W140 Y146 L266 Y337 V340	A108-M142 HydrophobicContact CB-CB 3.88Å; A108-M142 HydrophobicContact CB-CG 4.08Å; T137-M142 HydrophobicContact CG2-CG 3.63Å; T137-M142 HydrophobicContact CG2-SD 4.07Å; T137-M142 WeakPolarHBondContact O-CB 3.02Å; T137-M142 VanDerWaalsContact O-CG 3.29Å; T137-M142 WeakPolarHBondContact O-CG 3.34Å; T137-M142 PolarHBondContact O-N 3.24Å; W140-M142 PolarHBondContact O-N 2.79Å; M142-Y146 VanDerWaalsContact O-CB 3.24Å; M142-Y146 WeakPolarHBondContact O-CB 3.29Å; M142-Y146 PolarHBondContact O-N 2.85Å; M142-L266 HydrophobicContact CE-CB 3.2Å; M142-L266 HydrophobicContact CE-CD1 3.08Å; M142-L266 HydrophobicContact CE-CD2 4.02Å; M142-L266 HydrophobicContact CE-CG 3.56Å; M142-L266 HydrophobicContact SD-CB 4.41Å; M142-Y337 HydrophobicContact CE-CD2 3.97Å; M142-Y337 HydrophobicContact CE-CE2 4.45Å; M142-Y337 HydrophobicContact SD-CD2 3.6Å; M142-Y337 HydrophobicContact SD-CE2 3.49Å; M142-Y337 WeakPolarHBondContact SD-CE2 3.43Å; M142-V340 HydrophobicContact CE-CB 4.28Å; M142-V340 HydrophobicContact CE-CG1 3.8Å; M142-V340 HydrophobicContact CE-CG2 4.27Å; M142-V340 HydrophobicContact SD-CG1 3.98Å
143	P	83.4	Confident	84.1	Confident	9 Å²	9	16.4 Å²	16.4	6%	0.058	9%	0.092	C	C	.	.	H	α-helix	trans	-66.9	-41.3	-176.6	25.3	-34.8	0	0	0	112.6	A138 W140 L147 T221 W264	A138-P143 VanDerWaalsContact O-CD 3.26Å; A138-P143 WeakPolarHBondContact O-CD 3.21Å; W140-P143 WeakPolarHBondContact O-CD 3.27Å; P143-L147 VanDerWaalsContact O-CG 3.25Å; P143-L147 WeakPolarHBondContact O-CG 3.27Å; P143-L147 PolarHBondContact O-N 3.37Å; P143-L147 VanDerWaalsContact O-N 3.13Å; P143-T221 HydrophobicContact CB-CG2 4.41Å; P143-T221 HydrophobicContact CG-CG2 4.38Å; P143-W264 HydrophobicContact CB-CH2 3.93Å; P143-W264 HydrophobicContact CB-CZ3 4.06Å
144	L	90.4	Very high	84.7	Confident	1 Å²	1	17.8 Å²	17.8	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-74.8	-43.7	-178.2	-59	-179	0	0	0	111.3	W140 Y146 L147 I148 M153 I160 V164 F168 M344	W140-L144 HydrophobicContact CD2-CD1 3.49Å; W140-L144 VanDerWaalsContact CD2-CD1 3.49Å; W140-L144 HydrophobicContact CE3-CD1 3.43Å; W140-L144 VanDerWaalsContact CE3-CD1 3.43Å; W140-L144 HydrophobicContact CG-CD1 4.08Å; W140-L144 HydrophobicContact CH2-CD1 3.99Å; W140-L144 HydrophobicContact CZ2-CD1 4.05Å; W140-L144 HydrophobicContact CZ3-CD1 3.68Å; W140-L144 WeakPolarHBondContact O-CB 3.48Å; W140-L144 VanDerWaalsContact O-CG 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.18Å; W140-L144 PolarHBondContact O-N 3.16Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 3.48Å; L144-L147 PolarHBondContact O-N 3.26Å; L144-L147 VanDerWaalsContact O-N 3.12Å; L144-I148 VanDerWaalsContact O-CG1 3.26Å; L144-I148 WeakPolarHBondContact O-CG1 3.28Å; L144-I148 PolarHBondContact O-N 3.14Å; L144-M153 HydrophobicContact CB-CE 4.16Å; L144-M153 HydrophobicContact CD2-CE 4.08Å; L144-I160 HydrophobicContact CD1-CG2 4.34Å; L144-V164 HydrophobicContact CD1-CG2 3.5Å; L144-V164 VanDerWaalsContact CD1-CG2 3.5Å; L144-V164 HydrophobicContact CD2-CG2 3.78Å; L144-V164 HydrophobicContact CG-CG2 4.22Å; L144-F168 HydrophobicContact CD2-CE2 4.27Å; L144-M344 HydrophobicContact CB-CE 4.21Å; L144-M344 HydrophobicContact CB-SD 3.79Å
145	G	90.4	Very high	84.9	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-37.1	177.5	0	0	0	0	0	111.7	T141 I148 D149 M344	T141-G145 WeakPolarHBondContact O-CA 3.19Å; T141-G145 PolarHBondContact O-N 3.16Å; G145-I148 PolarHBondContact O-N 3.22Å; G145-D149 WeakPolarHBondContact O-CB 3.36Å; G145-D149 PolarHBondContact O-N 3.39Å; G145-M344 VanDerWaalsContact CA-CG 3.47Å; G145-M344 VanDerWaalsContact CA-SD 3.58Å; G145-M344 PolarHBondContact N-SD 2.93Å
146	Y	86.9	Confident	85.2	Confident	20 Å²	20	16.3 Å²	16.3	8%	0.078	8%	0.082	C	C	.	.	H	α-helix	trans	-63.8	-46.8	172	175.7	-97.7	0	0	0	112.1	I121 M142 L144 I148 D149 Q150 F152 Y263 W264	I121-Y146 HydrophobicContact CD1-CD1 4.4Å; I121-Y146 HydrophobicContact CD1-CE1 3.99Å; I121-Y146 HydrophobicContact CG1-CE1 3.87Å; M142-Y146 VanDerWaalsContact O-CB 3.24Å; M142-Y146 WeakPolarHBondContact O-CB 3.29Å; M142-Y146 PolarHBondContact O-N 2.85Å; L144-Y146 VanDerWaalsContact C-N 3.27Å; L144-Y146 PolarHBondContact O-N 3.48Å; Y146-I148 VanDerWaalsContact C-N 3.27Å; Y146-I148 PolarHBondContact O-N 3.1Å; Y146-D149 PolarHBondContact O-N 3.17Å; Y146-Q150 HydrophobicContact CD1-CG 4.32Å; Y146-Q150 HydrophobicContact CD2-CG 3.72Å; Y146-Q150 HydrophobicContact CE1-CG 4.05Å; Y146-Q150 HydrophobicContact CE2-CG 3.4Å; Y146-Q150 HydrophobicContact CG-CG 4.18Å; Y146-Q150 VanDerWaalsContact O-CB 3.26Å; Y146-Q150 WeakPolarHBondContact O-CB 3.16Å; Y146-Q150 WeakPolarHBondContact O-CG 3.22Å; Y146-Q150 PolarHBondContact O-N 2.93Å; Y146-F152 HydrophobicContact CE1-CD2 4.26Å; Y146-F152 AromaticContact CE1-CE2 3.93Å; Y146-F152 HydrophobicContact CE1-CE2 3.93Å; Y146-Y263 HydrophobicContact CE2-CD2 4.49Å; Y146-Y263 HydrophobicContact CE2-CG 4.08Å; Y146-W264 HydrophobicContact CD1-CH2 4.36Å; Y146-W264 AromaticContact CD1-CZ2 3.78Å; Y146-W264 HydrophobicContact CD1-CZ2 3.78Å; Y146-W264 HydrophobicContact CE1-CZ2 4.14Å; Y146-W264 HydrophobicContact CG-CZ2 4.34Å
147	L	90.1	Very high	85.6	Confident	5 Å²	5	14.5 Å²	14.5	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-37.3	178.6	-69.4	172.3	0	0	0	112.1	I121 L124 P143 L144 G151 F152 M153 F167 F168	I121-L147 HydrophobicContact CD1-CD2 4.11Å; L124-L147 HydrophobicContact CD1-CD2 4.35Å; P143-L147 VanDerWaalsContact O-CG 3.25Å; P143-L147 WeakPolarHBondContact O-CG 3.27Å; P143-L147 PolarHBondContact O-N 3.37Å; P143-L147 VanDerWaalsContact O-N 3.13Å; L144-L147 PolarHBondContact O-N 3.26Å; L144-L147 VanDerWaalsContact O-N 3.12Å; L147-G151 PolarHBondContact O-N 3.25Å; L147-F152 HydrophobicContact CB-CB 4.39Å; L147-F152 HydrophobicContact CD2-CB 3.83Å; L147-F152 HydrophobicContact CD2-CD2 3.87Å; L147-F152 HydrophobicContact CD2-CG 4.25Å; L147-F152 WeakPolarHBondContact O-CA 3.4Å; L147-F152 PolarHBondContact O-N 3.04Å; L147-M153 HydrophobicContact CB-CB 3.83Å; L147-M153 PolarHBondContact O-N 2.78Å; L147-F167 HydrophobicContact CD1-CE1 4Å; L147-F168 HydrophobicContact CD1-CE2 4.39Å; L147-F168 HydrophobicContact CD1-CZ 4.07Å
148	I	92.4	Very high	86.3	Confident	3 Å²	3	14.1 Å²	14.1	2%	0.015	8%	0.079	C	C	.	.	H	α-helix	trans	-70.2	-50	176.7	-62.9	163	0	0	0	110.8	L144 G145 Y146 Q150 G151 M153 V155 I160 A343 M344 H625	L144-I148 VanDerWaalsContact O-CG1 3.26Å; L144-I148 WeakPolarHBondContact O-CG1 3.28Å; L144-I148 PolarHBondContact O-N 3.14Å; G145-I148 PolarHBondContact O-N 3.22Å; Y146-I148 VanDerWaalsContact C-N 3.27Å; Y146-I148 PolarHBondContact O-N 3.1Å; I148-Q150 VanDerWaalsContact C-N 3.26Å; I148-Q150 PolarHBondContact O-N 2.96Å; I148-G151 PolarHBondContact O-N 2.92Å; I148-M153 WeakPolarHBondContact CA-O 3.08Å; I148-M153 HydrophobicContact CD1-CE 3.72Å; I148-M153 HydrophobicContact CG1-CE 3.46Å; I148-M153 VanDerWaalsContact CG1-CE 3.46Å; I148-V155 HydrophobicContact CD1-CG2 3.62Å; I148-V155 HydrophobicContact CG1-CG2 3.8Å; I148-I160 HydrophobicContact CD1-CG1 4.5Å; I148-A343 HydrophobicContact CB-CB 4.13Å; I148-A343 HydrophobicContact CG2-CB 3.9Å; I148-M344 HydrophobicContact CD1-SD 3.9Å; I148-H625 HydrophobicContact CG2-CB 4.05Å
149	D	91.2	Very high	87.4	Confident	6 Å²	6	17.6 Å²	17.6	3%	0.032	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-39.2	-177.8	-177.4	68.6	0	0	0	112.4	G145 Y146 G151 N339 A343 H625 K675	G145-D149 WeakPolarHBondContact O-CB 3.36Å; G145-D149 PolarHBondContact O-N 3.39Å; Y146-D149 PolarHBondContact O-N 3.17Å; D149-G151 VanDerWaalsContact C-N 3.26Å; D149-G151 PolarHBondContact O-N 3.38Å; D149-N339 WeakPolarHBondContact OD1-CB 3.16Å; D149-A343 HydrophobicContact CB-CB 4.17Å; D149-H625 IonicContact OD1-CE1 3.63Å; D149-K675 WeakPolarHBondContact OD1-CE 3.49Å; D149-K675 IonicContact OD1-NZ 3.47Å; D149-K675 PolarHBondContact OD1-NZ 3.03Å; D149-K675 IonicContact OD2-NZ 2.85Å; D149-K675 PolarHBondContact OD2-NZ 3.2Å
150	Q	87.6	Confident	88.4	Confident	27 Å²	27	18.3 Å²	18.3	13%	0.126	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.1	179.5	-61.7	-63	-68.5	0	0	113.6	Y146 I148 F152 D673	Y146-Q150 HydrophobicContact CD1-CG 4.32Å; Y146-Q150 HydrophobicContact CD2-CG 3.72Å; Y146-Q150 HydrophobicContact CE1-CG 4.05Å; Y146-Q150 HydrophobicContact CE2-CG 3.4Å; Y146-Q150 HydrophobicContact CG-CG 4.18Å; Y146-Q150 VanDerWaalsContact O-CB 3.26Å; Y146-Q150 WeakPolarHBondContact O-CB 3.16Å; Y146-Q150 WeakPolarHBondContact O-CG 3.22Å; Y146-Q150 PolarHBondContact O-N 2.93Å; I148-Q150 VanDerWaalsContact C-N 3.26Å; I148-Q150 PolarHBondContact O-N 2.96Å; Q150-F152 VanDerWaalsContact C-N 3.26Å; Q150-F152 HydrophobicContact CB-CD2 3.56Å; Q150-F152 HydrophobicContact CB-CE2 3.56Å; Q150-F152 HydrophobicContact CB-CG 4.32Å; Q150-F152 HydrophobicContact CB-CZ 4.3Å; Q150-F152 HydrophobicContact CG-CD2 4.44Å; Q150-F152 HydrophobicContact CG-CE2 4.17Å; Q150-F152 PolarHBondContact O-N 3.46Å; Q150-D673 PolarHBondContact NE2-OD1 2.03Å
151	G	89	Confident	88.9	Confident	12 Å²	12	18.4 Å²	18.4	12%	0.124	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	16.5	-177.3	0	0	0	0	0	114.4	L147 I148 D149 Y628	L147-G151 PolarHBondContact O-N 3.25Å; I148-G151 PolarHBondContact O-N 2.92Å; D149-G151 VanDerWaalsContact C-N 3.26Å; D149-G151 PolarHBondContact O-N 3.38Å; G151-Y628 PolarHBondContact O-OH 3.1Å
152	F	88	Confident	89.3	Confident	67 Å²	67	22.9 Å²	22.9	29%	0.294	12%	0.122	S	C	.	.	S	Bend	trans	-75	-36.5	172.6	-63.7	-48.4	0	0	0	111.7	I121 Y146 L147 Q150 F167	I121-F152 HydrophobicContact CG1-CE2 4.27Å; Y146-F152 HydrophobicContact CE1-CD2 4.26Å; Y146-F152 AromaticContact CE1-CE2 3.93Å; Y146-F152 HydrophobicContact CE1-CE2 3.93Å; L147-F152 HydrophobicContact CB-CB 4.39Å; L147-F152 HydrophobicContact CD2-CB 3.83Å; L147-F152 HydrophobicContact CD2-CD2 3.87Å; L147-F152 HydrophobicContact CD2-CG 4.25Å; L147-F152 WeakPolarHBondContact O-CA 3.4Å; L147-F152 PolarHBondContact O-N 3.04Å; Q150-F152 VanDerWaalsContact C-N 3.26Å; Q150-F152 HydrophobicContact CB-CD2 3.56Å; Q150-F152 HydrophobicContact CB-CE2 3.56Å; Q150-F152 HydrophobicContact CB-CG 4.32Å; Q150-F152 HydrophobicContact CB-CZ 4.3Å; Q150-F152 HydrophobicContact CG-CD2 4.44Å; Q150-F152 HydrophobicContact CG-CE2 4.17Å; Q150-F152 PolarHBondContact O-N 3.46Å; F152-F167 WeakPolarHBondContact O-CE2 3.31Å
153	M	91.6	Very high	89.9	Confident	2 Å²	2	23 Å²	23	1%	0.01	12%	0.124	C	C	.	.	S	Bend	trans	-121.1	131.8	177.5	-176.6	172.9	75.9	0	0	109.4	L144 L147 I148 V155 V164 F167	L144-M153 HydrophobicContact CB-CE 4.16Å; L144-M153 HydrophobicContact CD2-CE 4.08Å; L147-M153 HydrophobicContact CB-CB 3.83Å; L147-M153 PolarHBondContact O-N 2.78Å; I148-M153 WeakPolarHBondContact CA-O 3.08Å; I148-M153 HydrophobicContact CD1-CE 3.72Å; I148-M153 HydrophobicContact CG1-CE 3.46Å; I148-M153 VanDerWaalsContact CG1-CE 3.46Å; M153-V155 HydrophobicContact CE-CG2 4.45Å; M153-V164 HydrophobicContact CE-CG2 4.12Å; M153-V164 HydrophobicContact SD-CG2 4.23Å; M153-F167 HydrophobicContact CB-CD2 3.85Å; M153-F167 HydrophobicContact CB-CE2 4.2Å; M153-F167 HydrophobicContact CB-CG 4.12Å; M153-F167 HydrophobicContact CG-CB 3.77Å; M153-F167 HydrophobicContact CG-CD2 3.94Å; M153-F167 HydrophobicContact CG-CG 3.85Å; M153-F167 HydrophobicContact SD-CB 3.64Å; M153-F167 HydrophobicContact SD-CD1 4.23Å; M153-F167 HydrophobicContact SD-CG 3.91Å
154	S	91.8	Very high	90.4	Very high	28 Å²	28	22.6 Å²	22.6	20%	0.196	12%	0.121	C	C	.	.			trans	-97.6	146.5	176.1	57.6	0	0	0	0	110.8	D632	S154-D632 WeakPolarHBondContact CB-OD2 3.32Å; S154-D632 PolarHBondContact OG-OD2 2.88Å
155	V	90.5	Very high	90.6	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.042	13%	0.128	C	C	.	.			trans	-130.1	115.7	176	176.3	0	0	0	0	108.6	I148 M153 I160	I148-V155 HydrophobicContact CD1-CG2 3.62Å; I148-V155 HydrophobicContact CG1-CG2 3.8Å; M153-V155 HydrophobicContact CE-CG2 4.45Å; V155-I160 HydrophobicContact CG1-CG1 4.1Å; V155-I160 HydrophobicContact CG2-CG1 4.42Å
156	M	90	Very high	90.7	Very high	55 Å²	55	27.5 Å²	27.5	27%	0.271	15%	0.15	S	C	.	.	S	Bend	trans	-92.1	136.6	176.1	-170.6	-179.1	73.5	0	0	109.4	C158 D159 L380 T381 R633	M156-C158 PolarHBondContact O-N 3.34Å; M156-D159 PolarHBondContact O-N 3.02Å; M156-D159 VanDerWaalsContact O-N 3.16Å; M156-L380 HydrophobicContact CE-CD2 4.36Å; M156-L380 HydrophobicContact SD-CB 4.14Å; M156-L380 HydrophobicContact SD-CD2 3.77Å; M156-T381 WeakPolarHBondContact CG-O 3.19Å; M156-R633 HydrophobicContact SD-CB 4.06Å; M156-R633 HydrophobicContact SD-CG 3.91Å
157	G	84.6	Confident	91	Very high	18 Å²	18	27.3 Å²	27.3	19%	0.186	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	22.5	173.3	0	0	0	0	0	115.5	D159 I351	G157-D159 PolarHBondContact O-N 2.78Å; G157-D159 VanDerWaalsContact O-N 3.17Å; G157-I351 VanDerWaalsContact CA-CD1 3.42Å
158	C	87	Confident	91.1	Very high	12 Å²	12	27.5 Å²	27.5	8%	0.081	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	15.2	-171.4	-59.7	0	0	0	0	115.1	M156 I160 C346 T347 I351	M156-C158 PolarHBondContact O-N 3.34Å; C158-I160 PolarHBondContact O-N 3.47Å; C158-C346 VanDerWaalsContact CA-SG 3.58Å; C158-C346 HydrophobicContact CB-CB 3.66Å; C158-C346 WeakPolarHBondContact CB-O 3.42Å; C158-C346 WeakPolarHBondContact CB-SG 3.3Å; C158-C346 VanDerWaalsContact SG-CA 3.59Å; C158-C346 WeakPolarHBondContact SG-CB 3.26Å; C158-C346 CovalentContact SG-SG 2.02Å; C158-C346 PolarHBondContact SG-SG 3.37Å; C158-T347 PolarHBondContact SG-N 2.78Å; C158-T347 VanDerWaalsContact SG-N 3.45Å; C158-T347 PolarHBondContact SG-O 3.09Å; C158-I351 HydrophobicContact CB-CD1 4.13Å; C158-I351 WeakPolarHBondContact SG-CD1 3.25Å
159	D	90.3	Very high	91.1	Very high	72 Å²	72	30.3 Å²	30.3	39%	0.385	17%	0.171	S	C	.	.			trans	-83.8	79.7	178.1	-171.3	-15.7	0	0	0	110.8	M156 G157 P161 K162 G163	M156-D159 PolarHBondContact O-N 3.02Å; M156-D159 VanDerWaalsContact O-N 3.16Å; G157-D159 PolarHBondContact O-N 2.78Å; G157-D159 VanDerWaalsContact O-N 3.17Å; D159-P161 WeakPolarHBondContact OD1-CD 3.3Å; D159-K162 HydrophobicContact CB-CB 3.99Å; D159-K162 PolarHBondContact O-N 3.34Å; D159-K162 VanDerWaalsContact OD1-CB 3.26Å; D159-K162 WeakPolarHBondContact OD1-CB 3.23Å; D159-K162 PolarHBondContact OD1-N 3.38Å; D159-K162 VanDerWaalsContact OD2-CB 3.24Å; D159-K162 WeakPolarHBondContact OD2-CB 3.27Å; D159-G163 PolarHBondContact O-N 3.15Å
160	I	92.3	Very high	91.2	Very high	15 Å²	15	30.2 Å²	30.2	8%	0.077	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-47.8	-179.3	-62.1	171.8	0	0	0	111.6	W140 L144 I148 V155 C158 K162 G163 V164 M344	W140-I160 HydrophobicContact CH2-CG2 4.35Å; W140-I160 HydrophobicContact CZ2-CG2 3.78Å; L144-I160 HydrophobicContact CD1-CG2 4.34Å; I148-I160 HydrophobicContact CD1-CG1 4.5Å; V155-I160 HydrophobicContact CG1-CG1 4.1Å; V155-I160 HydrophobicContact CG2-CG1 4.42Å; C158-I160 PolarHBondContact O-N 3.47Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 2.8Å; I160-G163 PolarHBondContact O-N 3.01Å; I160-G163 VanDerWaalsContact O-N 3.08Å; I160-V164 HydrophobicContact CG2-CG2 4.26Å; I160-V164 WeakPolarHBondContact O-CG2 3.06Å; I160-V164 PolarHBondContact O-N 2.97Å; I160-M344 HydrophobicContact CD1-CE 3.82Å; I160-M344 WeakPolarHBondContact CD1-O 3.49Å; I160-M344 HydrophobicContact CD1-SD 4.01Å; I160-M344 HydrophobicContact CG2-CE 4.01Å; I160-M344 HydrophobicContact CG2-SD 4.44Å
161	P	93.8	Very high	91.3	Very high	18 Å²	18	29 Å²	29	12%	0.117	17%	0.165	C	C	.	.	H	α-helix	trans	-52.1	-44.4	174.8	-28.3	36.8	0	0	0	113.2	W140 D159 V164 A165 D181 L185	W140-P161 HydrophobicContact CH2-CG 4.38Å; D159-P161 WeakPolarHBondContact OD1-CD 3.3Å; P161-V164 PolarHBondContact O-N 3.03Å; P161-A165 PolarHBondContact O-N 3.44Å; P161-D181 WeakPolarHBondContact CB-OD1 3.42Å; P161-D181 WeakPolarHBondContact CG-OD1 3.48Å; P161-L185 HydrophobicContact CB-CD1 3.73Å
162	K	92.9	Very high	91.5	Very high	102 Å²	102	28.4 Å²	28.4	44%	0.443	16%	0.159	S	C	.	.	H	α-helix	trans	-66.7	-39.9	175.9	-170.2	65.9	174.4	-174.3	0	112.9	D159 I160 V164 A165 N166 P182	D159-K162 HydrophobicContact CB-CB 3.99Å; D159-K162 PolarHBondContact O-N 3.34Å; D159-K162 VanDerWaalsContact OD1-CB 3.26Å; D159-K162 WeakPolarHBondContact OD1-CB 3.23Å; D159-K162 PolarHBondContact OD1-N 3.38Å; D159-K162 VanDerWaalsContact OD2-CB 3.24Å; D159-K162 WeakPolarHBondContact OD2-CB 3.27Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 2.8Å; K162-V164 VanDerWaalsContact C-N 3.35Å; K162-V164 PolarHBondContact O-N 3.15Å; K162-A165 PolarHBondContact O-N 3.49Å; K162-N166 PolarHBondContact O-N 3.2Å; K162-N166 PolarHBondContact O-ND2 3.29Å; K162-P182 HydrophobicContact CD-CG 4.02Å
163	G	93.2	Very high	91.7	Very high	4 Å²	4	25.2 Å²	25.2	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-47	173.5	0	0	0	0	0	112.4	D159 I160 A165 N166 F167	D159-G163 PolarHBondContact O-N 3.15Å; I160-G163 PolarHBondContact O-N 3.01Å; I160-G163 VanDerWaalsContact O-N 3.08Å; G163-A165 VanDerWaalsContact C-N 3.35Å; G163-A165 PolarHBondContact O-N 2.95Å; G163-N166 PolarHBondContact O-N 3.4Å; G163-F167 WeakPolarHBondContact O-CB 3.44Å; G163-F167 PolarHBondContact O-N 3.14Å
164	V	94.1	Very high	91.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-44.6	176.3	178.3	0	0	0	0	111.2	W140 L144 M153 I160 P161 K162 N166 F167 F168 I173 L185	W140-V164 HydrophobicContact CH2-CG2 4.35Å; W140-V164 HydrophobicContact CZ3-CG2 4.48Å; L144-V164 HydrophobicContact CD1-CG2 3.5Å; L144-V164 VanDerWaalsContact CD1-CG2 3.5Å; L144-V164 HydrophobicContact CD2-CG2 3.78Å; L144-V164 HydrophobicContact CG-CG2 4.22Å; M153-V164 HydrophobicContact CE-CG2 4.12Å; M153-V164 HydrophobicContact SD-CG2 4.23Å; I160-V164 HydrophobicContact CG2-CG2 4.26Å; I160-V164 WeakPolarHBondContact O-CG2 3.06Å; I160-V164 PolarHBondContact O-N 2.97Å; P161-V164 PolarHBondContact O-N 3.03Å; K162-V164 VanDerWaalsContact C-N 3.35Å; K162-V164 PolarHBondContact O-N 3.15Å; V164-N166 VanDerWaalsContact C-N 3.31Å; V164-N166 PolarHBondContact O-N 3.16Å; V164-F167 PolarHBondContact O-N 2.81Å; V164-F167 VanDerWaalsContact O-N 3.16Å; V164-F168 HydrophobicContact CG1-CD2 3.88Å; V164-F168 HydrophobicContact CG1-CE2 4.46Å; V164-F168 PolarHBondContact O-N 3.04Å; V164-I173 HydrophobicContact CG1-CD1 3.84Å; V164-L185 HydrophobicContact CB-CD2 3.95Å; V164-L185 HydrophobicContact CG1-CD2 3.61Å
165	A	95	Very high	91.6	Very high	18 Å²	18	24.2 Å²	24.2	15%	0.149	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-29.9	178.4	0	0	0	0	0	113.7	P161 K162 G163 P182 S184 L185	P161-A165 PolarHBondContact O-N 3.44Å; K162-A165 PolarHBondContact O-N 3.49Å; G163-A165 VanDerWaalsContact C-N 3.35Å; G163-A165 PolarHBondContact O-N 2.95Å; A165-P182 HydrophobicContact CB-CB 3.52Å; A165-P182 HydrophobicContact CB-CG 3.6Å; A165-S184 VanDerWaalsContact CB-OG 3.28Å; A165-S184 WeakPolarHBondContact CB-OG 3.33Å; A165-L185 HydrophobicContact CB-CD2 4.04Å
166	N	92.7	Very high	91.8	Very high	86 Å²	86	24 Å²	24	46%	0.46	14%	0.139	S	C	.	.	H	α-helix	trans	-77.9	-26.6	174	-67.2	-22.8	0	0	0	112	K162 G163 V164	K162-N166 PolarHBondContact O-N 3.2Å; K162-N166 PolarHBondContact O-ND2 3.29Å; G163-N166 PolarHBondContact O-N 3.4Å; V164-N166 VanDerWaalsContact C-N 3.31Å; V164-N166 PolarHBondContact O-N 3.16Å
167	F	92.5	Very high	91.9	Very high	16 Å²	16	25.9 Å²	25.9	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-88	-47.3	-176.5	-173.7	-97.3	0	0	0	113.1	L124 K125 G126 L147 F152 M153 G163 V164	L124-F167 HydrophobicContact CB-CE1 3.74Å; L124-F167 HydrophobicContact CB-CZ 3.93Å; K125-F167 CarbonylContact C-O 3.37Å; K125-F167 WeakPolarHBondContact CA-O 3.15Å; K125-F167 HydrophobicContact CB-CD2 4.13Å; K125-F167 HydrophobicContact CB-CE2 3.69Å; K125-F167 HydrophobicContact CB-CZ 4.05Å; K125-F167 HydrophobicContact CD-CD2 4.46Å; K125-F167 HydrophobicContact CD-CE2 4.49Å; K125-F167 HydrophobicContact CG-CD2 4.06Å; K125-F167 HydrophobicContact CG-CE2 4.11Å; G126-F167 PolarHBondContact N-O 3.36Å; L147-F167 HydrophobicContact CD1-CE1 4Å; F152-F167 WeakPolarHBondContact O-CE2 3.31Å; M153-F167 HydrophobicContact CB-CD2 3.85Å; M153-F167 HydrophobicContact CB-CE2 4.2Å; M153-F167 HydrophobicContact CB-CG 4.12Å; M153-F167 HydrophobicContact CG-CB 3.77Å; M153-F167 HydrophobicContact CG-CD2 3.94Å; M153-F167 HydrophobicContact CG-CG 3.85Å; M153-F167 HydrophobicContact SD-CB 3.64Å; M153-F167 HydrophobicContact SD-CD1 4.23Å; M153-F167 HydrophobicContact SD-CG 3.91Å; G163-F167 WeakPolarHBondContact O-CB 3.44Å; G163-F167 PolarHBondContact O-N 3.14Å; V164-F167 PolarHBondContact O-N 2.81Å; V164-F167 VanDerWaalsContact O-N 3.16Å
168	F	93	Very high	92.1	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.044	17%	0.168	C	C	.	.	S	Bend	trans	-97.1	144	177.3	-65.1	-70.6	0	0	0	111.4	L124 K127 L144 L147 V164 A170	L124-F168 HydrophobicContact CB-CE1 4.14Å; K127-F168 CarbonylContact O-C 3.31Å; K127-F168 WeakPolarHBondContact O-CA 3.38Å; K127-F168 WeakPolarHBondContact O-CB 3.22Å; L144-F168 HydrophobicContact CD2-CE2 4.27Å; L147-F168 HydrophobicContact CD1-CE2 4.39Å; L147-F168 HydrophobicContact CD1-CZ 4.07Å; V164-F168 HydrophobicContact CG1-CD2 3.88Å; V164-F168 HydrophobicContact CG1-CE2 4.46Å; V164-F168 PolarHBondContact O-N 3.04Å; F168-A170 VanDerWaalsContact C-N 3.34Å; F168-A170 PolarHBondContact O-N 2.58Å
169	S	92.3	Very high	92.2	Very high	62 Å²	62	35.8 Å²	35.8	43%	0.434	21%	0.21	S	C	.	.	S	Bend	trans	-67.1	-33.4	178.5	58.1	0	0	0	0	113.6	G126 K127 K128	G126-S169 VanDerWaalsContact O-CB 3.31Å; G126-S169 WeakPolarHBondContact O-CB 3.42Å; G126-S169 PolarHBondContact O-OG 3.38Å; K127-S169 VanDerWaalsContact C-OG 3.31Å; K127-S169 PolarHBondContact O-N 2.5Å; K127-S169 PolarHBondContact O-OG 3.26Å; K128-S169 WeakPolarHBondContact CG-OG 3.35Å
170	A	92.4	Very high	92	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	149.1	176.4	0	0	0	0	0	108.9	K128 S129 F168 Q187 L188	K128-A170 VanDerWaalsContact CA-O 3.27Å; K128-A170 WeakPolarHBondContact CA-O 3.47Å; K128-A170 HydrophobicContact CG-CB 4.38Å; S129-A170 PolarHBondContact N-O 3.01Å; S129-A170 VanDerWaalsContact N-O 3.12Å; F168-A170 VanDerWaalsContact C-N 3.34Å; F168-A170 PolarHBondContact O-N 2.58Å; A170-Q187 HydrophobicContact CB-CB 4.23Å; A170-Q187 HydrophobicContact CB-CG 4.34Å; A170-L188 HydrophobicContact CB-CD1 4.24Å; A170-L188 HydrophobicContact CB-CD2 3.91Å; A170-L188 HydrophobicContact CB-CG 3.9Å; A170-L188 WeakPolarHBondContact O-CD1 3.3Å
171	S	90.6	Very high	92.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	163.7	-179	-53.1	0	0	0	0	112.6	S129 S184 L185 C186 Q187 L188	S129-S171 CarbonylContact O-C 3.59Å; S129-S171 WeakPolarHBondContact O-CA 3.42Å; S129-S171 WeakPolarHBondContact OG-CB 3.45Å; S129-S171 PolarHBondContact OG-OG 2.68Å; S171-S184 PolarHBondContact N-O 2.73Å; S171-L185 CarbonylContact C-O 3.57Å; S171-L185 VanDerWaalsContact C-O 3.23Å; S171-L185 CarbonylContact O-C 3.35Å; S171-C186 CarbonylContact O-C 3.09Å; S171-Q187 PolarHBondContact O-N 3.38Å; S171-L188 WeakPolarHBondContact O-CB 3.09Å; S171-L188 PolarHBondContact O-N 3.26Å
172	C	92	Very high	92.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.9	154.7	179.7	0	0	0	0	109.2	S129 H131 L185 L188 C189	S129-C172 PolarHBondContact O-N 2.71Å; S129-C172 VanDerWaalsContact O-N 3.1Å; H131-C172 PolarHBondContact N-O 3.48Å; C172-L185 CarbonylContact C-O 3.53Å; C172-L185 WeakPolarHBondContact CA-O 3.31Å; C172-L188 HydrophobicContact CB-CB 3.9Å; C172-C189 WeakPolarHBondContact CA-SG 3.27Å; C172-C189 HydrophobicContact CB-CB 4.08Å; C172-C189 WeakPolarHBondContact CB-SG 3.44Å; C172-C189 WeakPolarHBondContact SG-CA 3.45Å; C172-C189 WeakPolarHBondContact SG-CB 3.29Å; C172-C189 CovalentContact SG-SG 2.05Å; C172-C189 PolarHBondContact SG-SG 2.98Å
173	I	93.3	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.25	C	C	.	.			trans	-130.6	87	-178.8	-47.4	-170.4	0	0	0	108.7	H131 K134 W140 V164 G175 A176 L185 C199	H131-I173 HydrophobicContact CB-CB 4.43Å; H131-I173 HydrophobicContact CB-CG1 4.07Å; H131-I173 HydrophobicContact CB-CG2 4.22Å; H131-I173 VanDerWaalsContact CD2-CG1 3.49Å; H131-I173 WeakPolarHBondContact CD2-CG1 3.36Å; K134-I173 HydrophobicContact CB-CG2 4.2Å; W140-I173 HydrophobicContact CE3-CD1 4.2Å; W140-I173 HydrophobicContact CE3-CG2 3.6Å; W140-I173 HydrophobicContact CZ3-CD1 3.65Å; W140-I173 HydrophobicContact CZ3-CG2 3.6Å; V164-I173 HydrophobicContact CG1-CD1 3.84Å; I173-G175 PolarHBondContact O-N 3.49Å; I173-A176 HydrophobicContact CB-CB 3.86Å; I173-A176 HydrophobicContact CG2-CB 3.94Å; I173-A176 WeakPolarHBondContact O-CB 3.47Å; I173-A176 PolarHBondContact O-N 3.48Å; I173-L185 HydrophobicContact CD1-CB 4.34Å; I173-L185 HydrophobicContact CD1-CD2 4Å; I173-L185 HydrophobicContact CG1-CB 4.5Å; I173-L185 PolarHBondContact N-O 2.85Å; I173-C199 PolarHBondContact O-SG 3.45Å
174	P	90.4	Very high	92.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	130.9	176.5	-26.8	34	0	0	0	112	H131 G133 K134 C199 E200 E205 Y208	H131-P174 WeakPolarHBondContact O-CD 3.25Å; G133-P174 CarbonylContact C-O 3.58Å; G133-P174 WeakPolarHBondContact CA-O 3.38Å; K134-P174 PolarHBondContact N-O 3.1Å; P174-C199 CarbonylContact C-O 3.38Å; P174-E200 WeakPolarHBondContact CB-O 3.03Å; P174-E205 HydrophobicContact CG-CG 4.2Å; P174-Y208 HydrophobicContact CB-CD2 3.61Å; P174-Y208 HydrophobicContact CB-CE2 4.4Å; P174-Y208 HydrophobicContact CB-CG 4.47Å; P174-Y208 HydrophobicContact CG-CD2 4.02Å
175	G	91.6	Very high	92.4	Very high	9 Å²	9	41.2 Å²	41.2	9%	0.093	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-0.6	-173.7	0	0	0	0	0	115.2	K134 I173 N177 C199	K134-G175 VanDerWaalsContact CD-O 3.29Å; K134-G175 WeakPolarHBondContact CD-O 3.47Å; I173-G175 PolarHBondContact O-N 3.49Å; G175-N177 PolarHBondContact O-N 3.27Å; G175-C199 PolarHBondContact N-O 3.07Å
176	A	93.8	Very high	92.4	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	26%	0.255	C	S	.	.			trans	-90.1	41.7	172.8	0	0	0	0	0	112.6	K134 I173 D181 L185 C186	K134-A176 HydrophobicContact CD-CB 4.33Å; I173-A176 HydrophobicContact CB-CB 3.86Å; I173-A176 HydrophobicContact CG2-CB 3.94Å; I173-A176 WeakPolarHBondContact O-CB 3.47Å; I173-A176 PolarHBondContact O-N 3.48Å; A176-D181 WeakPolarHBondContact CA-OD2 3.43Å; A176-D181 VanDerWaalsContact O-CB 3.31Å; A176-D181 WeakPolarHBondContact O-CB 3.45Å; A176-L185 HydrophobicContact CB-CB 3.85Å; A176-L185 HydrophobicContact CB-CD1 3.96Å; A176-C186 PolarHBondContact O-SG 2.8Å
177	N	91.3	Very high	92.5	Very high	94 Å²	94	42.3 Å²	42.3	50%	0.503	26%	0.258	S	S	.	.			trans	-116.9	19.3	-177.7	62.6	-17.5	0	0	0	112.2	G175 D181 C199	G175-N177 PolarHBondContact O-N 3.27Å; N177-D181 PolarHBondContact N-OD2 3.42Å; N177-C199 HydrophobicContact CB-CB 4.39Å
178	E	90.6	Very high	92.4	Very high	122 Å²	122	42.9 Å²	42.9	57%	0.57	26%	0.261	S	S	*	.	S	Bend	trans	-79.6	159.8	176.9	-63.3	174.9	153.6	0	0	111	K134 G180 D181	K134-E178 IonicContact NZ-OE2 2.8Å; K134-E178 PolarHBondContact NZ-OE2 2.97Å; E178-G180 PolarHBondContact O-N 2.87Å; E178-G180 VanDerWaalsContact O-N 3.14Å; E178-D181 PolarHBondContact N-OD2 3.33Å; E178-D181 WeakPolarHBondContact O-CB 3.29Å; E178-D181 PolarHBondContact O-N 2.93Å
179	A	87.7	Confident	92.3	Very high	116 Å²	116	42.5 Å²	42.5	96%	0.959	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	119.6	176.4	0	0	0	0	0	110.6
180	G	87.1	Confident	92.1	Very high	73 Å²	73	44.8 Å²	44.8	75%	0.753	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.4	-17.2	-176.9	0	0	0	0	0	114.3	E178	E178-G180 PolarHBondContact O-N 2.87Å; E178-G180 VanDerWaalsContact O-N 3.14Å
181	D	93.5	Very high	92	Very high	29 Å²	29	44.7 Å²	44.7	16%	0.155	26%	0.261	C	S	.	.			trans	-68.7	133.5	174.3	-75	-31.6	0	0	0	110.8	K134 P161 A176 N177 E178	K134-D181 VanDerWaalsContact NZ-CG 3.26Å; K134-D181 IonicContact NZ-OD1 3.66Å; K134-D181 PolarHBondContact NZ-OD1 2.83Å; K134-D181 IonicContact NZ-OD2 2.79Å; K134-D181 PolarHBondContact NZ-OD2 3Å; P161-D181 WeakPolarHBondContact CB-OD1 3.42Å; P161-D181 WeakPolarHBondContact CG-OD1 3.48Å; A176-D181 WeakPolarHBondContact CA-OD2 3.43Å; A176-D181 VanDerWaalsContact O-CB 3.31Å; A176-D181 WeakPolarHBondContact O-CB 3.45Å; N177-D181 PolarHBondContact N-OD2 3.42Å; E178-D181 PolarHBondContact N-OD2 3.33Å; E178-D181 WeakPolarHBondContact O-CB 3.29Å; E178-D181 PolarHBondContact O-N 2.93Å
182	P	96	Very high	91.7	Very high	22 Å²	22	47.5 Å²	47.5	14%	0.143	28%	0.276	C	S	.	.			trans	-63.7	137.5	175.9	-22.5	31.9	0	0	0	113	K162 A165 S184 L185	K162-P182 HydrophobicContact CD-CG 4.02Å; A165-P182 HydrophobicContact CB-CB 3.52Å; A165-P182 HydrophobicContact CB-CG 3.6Å; P182-S184 PolarHBondContact O-N 3.1Å; P182-S184 VanDerWaalsContact O-N 3.1Å; P182-L185 HydrophobicContact CB-CG 4.3Å; P182-L185 HydrophobicContact CG-CD1 4.5Å; P182-L185 WeakPolarHBondContact O-CB 3.41Å; P182-L185 WeakPolarHBondContact O-CG 3.45Å; P182-L185 PolarHBondContact O-N 3.37Å
183	E	95.1	Very high	91.2	Very high	173 Å²	173	50.1 Å²	50.1	81%	0.808	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-57.6	-31.2	-179.3	-168.9	-175.8	175.2	0	0	113.3	L185 C186 Q187	E183-L185 PolarHBondContact O-N 2.96Å; E183-L185 VanDerWaalsContact O-N 3.09Å; E183-C186 PolarHBondContact O-N 3.45Å; E183-C186 VanDerWaalsContact O-N 3.08Å; E183-Q187 PolarHBondContact O-N 3.2Å
184	S	95.6	Very high	90.9	Very high	27 Å²	27	57 Å²	57	19%	0.189	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-59.5	-22.3	178.4	62.1	0	0	0	0	113.1	A165 S171 P182 C186	A165-S184 VanDerWaalsContact CB-OG 3.28Å; A165-S184 WeakPolarHBondContact CB-OG 3.33Å; S171-S184 PolarHBondContact N-O 2.73Å; P182-S184 PolarHBondContact O-N 3.1Å; P182-S184 VanDerWaalsContact O-N 3.1Å; S184-C186 VanDerWaalsContact C-N 3.29Å; S184-C186 PolarHBondContact O-N 3.09Å
185	L	95.1	Very high	90.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-70.1	-25.3	178.4	-57.8	-169.8	0	0	0	113.4	P161 V164 A165 S171 C172 I173 A176 P182 E183	P161-L185 HydrophobicContact CB-CD1 3.73Å; V164-L185 HydrophobicContact CB-CD2 3.95Å; V164-L185 HydrophobicContact CG1-CD2 3.61Å; A165-L185 HydrophobicContact CB-CD2 4.04Å; S171-L185 CarbonylContact C-O 3.57Å; S171-L185 VanDerWaalsContact C-O 3.23Å; S171-L185 CarbonylContact O-C 3.35Å; C172-L185 CarbonylContact C-O 3.53Å; C172-L185 WeakPolarHBondContact CA-O 3.31Å; I173-L185 HydrophobicContact CD1-CB 4.34Å; I173-L185 HydrophobicContact CD1-CD2 4Å; I173-L185 HydrophobicContact CG1-CB 4.5Å; I173-L185 PolarHBondContact N-O 2.85Å; A176-L185 HydrophobicContact CB-CB 3.85Å; A176-L185 HydrophobicContact CB-CD1 3.96Å; P182-L185 HydrophobicContact CB-CG 4.3Å; P182-L185 HydrophobicContact CG-CD1 4.5Å; P182-L185 WeakPolarHBondContact O-CB 3.41Å; P182-L185 WeakPolarHBondContact O-CG 3.45Å; P182-L185 PolarHBondContact O-N 3.37Å; E183-L185 PolarHBondContact O-N 2.96Å; E183-L185 VanDerWaalsContact O-N 3.09Å
186	C	94.9	Very high	90.4	Very high	17 Å²	17	64.7 Å²	64.7	12%	0.115	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	1.1	-179.7	-68.4	0	0	0	0	113	S171 A176 E183 S184 L188 C189 K198 C199	S171-C186 CarbonylContact O-C 3.09Å; A176-C186 PolarHBondContact O-SG 2.8Å; E183-C186 PolarHBondContact O-N 3.45Å; E183-C186 VanDerWaalsContact O-N 3.08Å; S184-C186 VanDerWaalsContact C-N 3.29Å; S184-C186 PolarHBondContact O-N 3.09Å; C186-L188 VanDerWaalsContact C-N 3.27Å; C186-L188 PolarHBondContact O-N 2.69Å; C186-C189 WeakPolarHBondContact O-CB 2.92Å; C186-C189 PolarHBondContact O-N 3.35Å; C186-C189 VanDerWaalsContact O-N 3.1Å; C186-K198 WeakPolarHBondContact O-CE 3.24Å; C186-C199 VanDerWaalsContact CA-SG 3.56Å; C186-C199 HydrophobicContact CB-CB 3.51Å; C186-C199 WeakPolarHBondContact CB-SG 3.06Å; C186-C199 WeakPolarHBondContact SG-CB 3.11Å; C186-C199 CovalentContact SG-SG 2.02Å; C186-C199 PolarHBondContact SG-SG 2.98Å
187	Q	94	Very high	90.2	Very high	111 Å²	111	68.4 Å²	68.4	52%	0.519	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.9	-172.6	-175.1	179.6	-3.4	0	0	113.1	A170 S171 E183	A170-Q187 HydrophobicContact CB-CB 4.23Å; A170-Q187 HydrophobicContact CB-CG 4.34Å; S171-Q187 PolarHBondContact O-N 3.38Å; E183-Q187 PolarHBondContact O-N 3.2Å
188	L	90.8	Very high	90.3	Very high	27 Å²	27	68.4 Å²	68.4	14%	0.141	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.4	179.2	-54.3	-179.9	0	0	0	113.6	K128 A170 S171 C172 C186 Y207	K128-L188 HydrophobicContact CB-CD1 3.84Å; K128-L188 HydrophobicContact CD-CD1 4.17Å; K128-L188 HydrophobicContact CD-CD2 4.09Å; K128-L188 HydrophobicContact CG-CD1 4.11Å; A170-L188 HydrophobicContact CB-CD1 4.24Å; A170-L188 HydrophobicContact CB-CD2 3.91Å; A170-L188 HydrophobicContact CB-CG 3.9Å; A170-L188 WeakPolarHBondContact O-CD1 3.3Å; S171-L188 WeakPolarHBondContact O-CB 3.09Å; S171-L188 PolarHBondContact O-N 3.26Å; C172-L188 HydrophobicContact CB-CB 3.9Å; C186-L188 VanDerWaalsContact C-N 3.27Å; C186-L188 PolarHBondContact O-N 2.69Å; L188-Y207 WeakPolarHBondContact O-CE2 3.38Å
189	C	89.9	Confident	90.4	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.02	37%	0.371	C	S	.	.			trans	-69.6	157.8	177.5	-64.1	0	0	0	0	111.8	C172 C186 K198 C199 E205	C172-C189 WeakPolarHBondContact CA-SG 3.27Å; C172-C189 HydrophobicContact CB-CB 4.08Å; C172-C189 WeakPolarHBondContact CB-SG 3.44Å; C172-C189 WeakPolarHBondContact SG-CA 3.45Å; C172-C189 WeakPolarHBondContact SG-CB 3.29Å; C172-C189 CovalentContact SG-SG 2.05Å; C172-C189 PolarHBondContact SG-SG 2.98Å; C186-C189 WeakPolarHBondContact O-CB 2.92Å; C186-C189 PolarHBondContact O-N 3.35Å; C186-C189 VanDerWaalsContact O-N 3.1Å; C189-K198 HydrophobicContact CB-CG 4.12Å; C189-K198 VanDerWaalsContact O-CE 3.25Å; C189-K198 WeakPolarHBondContact O-CE 3.27Å; C189-C199 HydrophobicContact CB-CB 4.11Å; C189-C199 VanDerWaalsContact SG-SG 3.62Å; C189-E205 WeakPolarHBondContact CB-OE2 2.91Å
190	K	89.3	Confident	90.6	Very high	110 Å²	110	60.2 Å²	60.2	48%	0.478	34%	0.34	S	S	.	.			trans	-131.3	-13.3	-168.5	-70.5	-66.4	-178	-176.1	0	114.4	E205 M206 Y207	K190-E205 PolarHBondContact N-OE1 2.83Å; K190-E205 VanDerWaalsContact N-OE1 3.11Å; K190-E205 PolarHBondContact N-OE2 3.06Å; K190-M206 HydrophobicContact CB-CG 3.66Å; K190-M206 HydrophobicContact CB-SD 3.25Å; K190-M206 WeakPolarHBondContact CB-SD 2.82Å; K190-M206 HydrophobicContact CG-SD 3.92Å; K190-Y207 HydrophobicContact CB-CD2 4.4Å; K190-Y207 HydrophobicContact CB-CE2 4.08Å; K190-Y207 HydrophobicContact CG-CD2 4.08Å; K190-Y207 HydrophobicContact CG-CE2 3.36Å
191	G	89	Confident	90.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	-139.3	-175.9	0	0	0	0	0	111.3	G193 Q196 Q204 E205 M206	G191-G193 PolarHBondContact O-N 2.77Å; G191-Q196 CarbonylContact C-O 3.57Å; G191-Q196 WeakPolarHBondContact CA-O 3.35Å; G191-Q204 CarbonylContact C-O 3.55Å; G191-E205 VanDerWaalsContact CA-OE2 3.29Å; G191-E205 WeakPolarHBondContact CA-OE2 3.43Å; G191-E205 VanDerWaalsContact N-CD 3.26Å; G191-E205 PolarHBondContact N-OE1 2.05Å; G191-E205 PolarHBondContact N-OE2 2.04Å; G191-M206 WeakPolarHBondContact O-CB 3.36Å; G191-M206 VanDerWaalsContact O-CG 3.3Å; G191-M206 WeakPolarHBondContact O-CG 2.87Å; G191-M206 PolarHBondContact O-N 3.22Å
192	D	85.8	Confident	90.1	Very high	61 Å²	61	61.2 Å²	61.2	33%	0.326	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.2	179.5	72.2	-19.7	0	0	0	114.6	N194 G195 Q196 Q204	D192-N194 VanDerWaalsContact C-N 3.34Å; D192-N194 WeakPolarHBondContact OD1-CA 3.42Å; D192-N194 WeakPolarHBondContact OD1-CB 3.36Å; D192-N194 PolarHBondContact OD1-N 3.26Å; D192-G195 PolarHBondContact OD1-N 3.31Å; D192-G195 VanDerWaalsContact OD1-N 3.08Å; D192-Q196 PolarHBondContact N-O 3.34Å; D192-Q196 PolarHBondContact OD1-N 3.07Å; D192-Q204 WeakPolarHBondContact CA-O 3.46Å; D192-Q204 PolarHBondContact N-O 2.93Å
193	G	80.6	Confident	89.2	Confident	55 Å²	55	67 Å²	67	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-20.2	-174	0	0	0	0	0	114.6	G191	G191-G193 PolarHBondContact O-N 2.77Å
194	N	86.5	Confident	88.6	Confident	144 Å²	144	63.4 Å²	63.4	77%	0.77	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4	167.9	-59	-50.3	0	0	0	112.1	D192	D192-N194 VanDerWaalsContact C-N 3.34Å; D192-N194 WeakPolarHBondContact OD1-CA 3.42Å; D192-N194 WeakPolarHBondContact OD1-CB 3.36Å; D192-N194 PolarHBondContact OD1-N 3.26Å
195	G	82.1	Confident	88	Confident	46 Å²	46	62.2 Å²	62.2	47%	0.474	33%	0.327	S	S	.	.	S	Bend	trans	90.6	3.8	-179.8	0	0	0	0	0	114.2	D192	D192-G195 PolarHBondContact OD1-N 3.31Å; D192-G195 VanDerWaalsContact OD1-N 3.08Å
196	Q	89.2	Confident	87.3	Confident	126 Å²	126	66.2 Å²	66.2	59%	0.589	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	154.5	169.3	-58.1	-171.1	-12.7	0	0	109.7	G191 D192 K198	G191-Q196 CarbonylContact C-O 3.57Å; G191-Q196 WeakPolarHBondContact CA-O 3.35Å; D192-Q196 PolarHBondContact N-O 3.34Å; D192-Q196 PolarHBondContact OD1-N 3.07Å; Q196-K198 PolarHBondContact O-N 3.29Å; Q196-K198 VanDerWaalsContact O-N 3.11Å
197	H	91.1	Very high	86.7	Confident	80 Å²	80	66.9 Å²	66.9	37%	0.37	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	22.5	-178.6	-54	-77.8	0	0	0	114.4	C199 E200 Q204	H197-C199 PolarHBondContact O-N 3.26Å; H197-E200 HydrophobicContact CB-CB 4.27Å; H197-E200 IonicContact CE1-OE2 3.9Å; H197-E200 IonicContact CG-OE2 3.95Å; H197-E200 IonicContact ND1-OE1 3.35Å; H197-E200 IonicContact ND1-OE2 2.82Å; H197-E200 PolarHBondContact ND1-OE2 2.99Å; H197-E200 VanDerWaalsContact O-CB 3.27Å; H197-E200 WeakPolarHBondContact O-CB 3.44Å; H197-E200 PolarHBondContact O-N 3.46Å; H197-E200 VanDerWaalsContact O-N 3.1Å; H197-Q204 HydrophobicContact CB-CB 3.65Å
198	K	92.8	Very high	85.7	Confident	94 Å²	94	63.4 Å²	63.4	41%	0.409	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	127.2	-179.2	-175.1	-178.2	176.7	-173.1	0	110.4	C186 C189 Q196 E200	C186-K198 WeakPolarHBondContact O-CE 3.24Å; C189-K198 HydrophobicContact CB-CG 4.12Å; C189-K198 VanDerWaalsContact O-CE 3.25Å; C189-K198 WeakPolarHBondContact O-CE 3.27Å; Q196-K198 PolarHBondContact O-N 3.29Å; Q196-K198 VanDerWaalsContact O-N 3.11Å; K198-E200 PolarHBondContact O-N 3.48Å
199	C	93.3	Very high	84.6	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.007	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	17	179.9	-148	0	0	0	0	114.3	I173 P174 G175 N177 C186 C189 H197 E205	I173-C199 PolarHBondContact O-SG 3.45Å; P174-C199 CarbonylContact C-O 3.38Å; G175-C199 PolarHBondContact N-O 3.07Å; N177-C199 HydrophobicContact CB-CB 4.39Å; C186-C199 VanDerWaalsContact CA-SG 3.56Å; C186-C199 HydrophobicContact CB-CB 3.51Å; C186-C199 WeakPolarHBondContact CB-SG 3.06Å; C186-C199 WeakPolarHBondContact SG-CB 3.11Å; C186-C199 CovalentContact SG-SG 2.02Å; C186-C199 PolarHBondContact SG-SG 2.98Å; C189-C199 HydrophobicContact CB-CB 4.11Å; C189-C199 VanDerWaalsContact SG-SG 3.62Å; H197-C199 PolarHBondContact O-N 3.26Å; C199-E205 PolarHBondContact N-OE2 3.49Å
200	E	91.1	Very high	83.2	Confident	66 Å²	66	65.7 Å²	65.7	31%	0.308	34%	0.339	S	S	.	.			trans	-72.4	143.8	175.8	-163.4	178.9	129.2	0	0	110.8	P174 H197 K198 S202 E205	P174-E200 WeakPolarHBondContact CB-O 3.03Å; H197-E200 HydrophobicContact CB-CB 4.27Å; H197-E200 IonicContact CE1-OE2 3.9Å; H197-E200 IonicContact CG-OE2 3.95Å; H197-E200 IonicContact ND1-OE1 3.35Å; H197-E200 IonicContact ND1-OE2 2.82Å; H197-E200 PolarHBondContact ND1-OE2 2.99Å; H197-E200 VanDerWaalsContact O-CB 3.27Å; H197-E200 WeakPolarHBondContact O-CB 3.44Å; H197-E200 PolarHBondContact O-N 3.46Å; H197-E200 VanDerWaalsContact O-N 3.1Å; K198-E200 PolarHBondContact O-N 3.48Å; E200-S202 VanDerWaalsContact CG-OG 3.32Å; E200-S202 WeakPolarHBondContact CG-OG 3.35Å; E200-S202 PolarHBondContact O-N 2.99Å; E200-S202 WeakPolarHBondContact OE1-CB 3.05Å; E200-S202 PolarHBondContact OE1-OG 3.44Å; E200-E205 WeakPolarHBondContact O-CB 3.49Å
201	M	85.5	Confident	81.9	Confident	104 Å²	104	68.7 Å²	68.7	51%	0.512	36%	0.355	S	S	.	.	S	Bend	trans	-80.6	57.3	175.4	-162	179.3	69.7	0	0	111	Y208	M201-Y208 HydrophobicContact CB-CE2 4.37Å; M201-Y208 HydrophobicContact CG-CD2 4.28Å; M201-Y208 HydrophobicContact CG-CE2 3.44Å; M201-Y208 VanDerWaalsContact CG-CE2 3.44Å
202	S	83.9	Confident	80.6	Confident	18 Å²	18	69.1 Å²	69.1	13%	0.126	36%	0.359	C	S	.	.	S	Bend	trans	-150.1	163.3	-174.4	69.9	0	0	0	0	111.2	E200 Q204 E205 Y208	E200-S202 VanDerWaalsContact CG-OG 3.32Å; E200-S202 WeakPolarHBondContact CG-OG 3.35Å; E200-S202 PolarHBondContact O-N 2.99Å; E200-S202 WeakPolarHBondContact OE1-CB 3.05Å; E200-S202 PolarHBondContact OE1-OG 3.44Å; S202-Q204 PolarHBondContact O-N 3.28Å; S202-Q204 VanDerWaalsContact O-N 3.1Å; S202-Q204 PolarHBondContact OG-OE1 3.16Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact O-N 3.1Å; S202-Y208 WeakPolarHBondContact O-CB 3.44Å; S202-Y208 VanDerWaalsContact O-CD1 3.25Å; S202-Y208 WeakPolarHBondContact O-CD1 3.45Å
203	E	77.2	Confident	79.3	Confident	145 Å²	145	66.3 Å²	66.3	68%	0.678	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.4	-178.6	-60.3	-63.3	147.5	0	0	112.9	E205 Y208	E203-E205 VanDerWaalsContact C-N 3.32Å; E203-Y208 WeakPolarHBondContact OE1-CE1 3.42Å
204	Q	82.1	Confident	78.3	Confident	96 Å²	96	66.4 Å²	66.4	45%	0.449	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.9	172.4	-68.2	82.8	-21.8	0	0	112.3	G191 D192 H197 S202 M206	G191-Q204 CarbonylContact C-O 3.55Å; D192-Q204 WeakPolarHBondContact CA-O 3.46Å; D192-Q204 PolarHBondContact N-O 2.93Å; H197-Q204 HydrophobicContact CB-CB 3.65Å; S202-Q204 PolarHBondContact O-N 3.28Å; S202-Q204 VanDerWaalsContact O-N 3.1Å; S202-Q204 PolarHBondContact OG-OE1 3.16Å; Q204-M206 PolarHBondContact O-N 3.27Å
205	E	83.4	Confident	76.9	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.009	31%	0.314	C	S	.	.	S	Bend	trans	-80.8	114.2	169.1	168.1	58.4	-118	0	0	109.3	P174 C189 K190 G191 C199 E200 S202 E203 Y207 Y208	P174-E205 HydrophobicContact CG-CG 4.2Å; C189-E205 WeakPolarHBondContact CB-OE2 2.91Å; K190-E205 PolarHBondContact N-OE1 2.83Å; K190-E205 VanDerWaalsContact N-OE1 3.11Å; K190-E205 PolarHBondContact N-OE2 3.06Å; G191-E205 VanDerWaalsContact CA-OE2 3.29Å; G191-E205 WeakPolarHBondContact CA-OE2 3.43Å; G191-E205 VanDerWaalsContact N-CD 3.26Å; G191-E205 PolarHBondContact N-OE1 2.05Å; G191-E205 PolarHBondContact N-OE2 2.04Å; C199-E205 PolarHBondContact N-OE2 3.49Å; E200-E205 WeakPolarHBondContact O-CB 3.49Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact O-N 3.1Å; E203-E205 VanDerWaalsContact C-N 3.32Å; E205-Y207 PolarHBondContact O-N 3Å; E205-Y207 PolarHBondContact OE1-N 2.83Å; E205-Y208 WeakPolarHBondContact O-CB 3.23Å; E205-Y208 PolarHBondContact O-N 3.3Å
206	M	81.4	Confident	75.4	Confident	85 Å²	85	61.1 Å²	61.1	42%	0.419	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.4	-177.6	65.8	-178.2	-65.4	0	0	114.2	K190 G191 Q204 G212	K190-M206 HydrophobicContact CB-CG 3.66Å; K190-M206 HydrophobicContact CB-SD 3.25Å; K190-M206 WeakPolarHBondContact CB-SD 2.82Å; K190-M206 HydrophobicContact CG-SD 3.92Å; G191-M206 WeakPolarHBondContact O-CB 3.36Å; G191-M206 VanDerWaalsContact O-CG 3.3Å; G191-M206 WeakPolarHBondContact O-CG 2.87Å; G191-M206 PolarHBondContact O-N 3.22Å; Q204-M206 PolarHBondContact O-N 3.27Å; M206-G212 WeakPolarHBondContact O-CA 3.4Å
207	Y	80.9	Confident	73.6	Confident	31 Å²	31	61.3 Å²	61.3	12%	0.122	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	12.4	176.2	-60.9	-27.6	0	0	0	114.9	L188 K190 E205 G212 A213 S215 N216	L188-Y207 WeakPolarHBondContact O-CE2 3.38Å; K190-Y207 HydrophobicContact CB-CD2 4.4Å; K190-Y207 HydrophobicContact CB-CE2 4.08Å; K190-Y207 HydrophobicContact CG-CD2 4.08Å; K190-Y207 HydrophobicContact CG-CE2 3.36Å; E205-Y207 PolarHBondContact O-N 3Å; E205-Y207 PolarHBondContact OE1-N 2.83Å; Y207-G212 VanDerWaalsContact CA-C 3.44Å; Y207-G212 WeakPolarHBondContact CD1-O 3.07Å; Y207-G212 CarbonylContact O-C 3.58Å; Y207-A213 PolarHBondContact O-N 2.9Å; Y207-A213 VanDerWaalsContact O-N 3.16Å; Y207-S215 WeakPolarHBondContact CD1-OG 3.34Å; Y207-S215 WeakPolarHBondContact CE1-OG 3.41Å; Y207-N216 HydrophobicContact CD1-CB 3.79Å; Y207-N216 HydrophobicContact CD2-CB 4.07Å; Y207-N216 VanDerWaalsContact CD2-ND2 3.27Å; Y207-N216 WeakPolarHBondContact CD2-ND2 3.01Å; Y207-N216 HydrophobicContact CE1-CB 3.62Å; Y207-N216 HydrophobicContact CE2-CB 3.91Å; Y207-N216 WeakPolarHBondContact CE2-ND2 3.31Å; Y207-N216 HydrophobicContact CG-CB 4.03Å
208	Y	74.3	Confident	71.5	Confident	37 Å²	37	59.7 Å²	59.7	15%	0.145	29%	0.292	C	S	.	.			trans	-75	151.9	176.5	-179.1	-119.2	0	0	0	113.4	T132 P174 M201 S202 E203 E205 G212	T132-Y208 WeakPolarHBondContact O-CD2 3.27Å; T132-Y208 WeakPolarHBondContact O-CE2 3.47Å; P174-Y208 HydrophobicContact CB-CD2 3.61Å; P174-Y208 HydrophobicContact CB-CE2 4.4Å; P174-Y208 HydrophobicContact CB-CG 4.47Å; P174-Y208 HydrophobicContact CG-CD2 4.02Å; M201-Y208 HydrophobicContact CB-CE2 4.37Å; M201-Y208 HydrophobicContact CG-CD2 4.28Å; M201-Y208 HydrophobicContact CG-CE2 3.44Å; M201-Y208 VanDerWaalsContact CG-CE2 3.44Å; S202-Y208 WeakPolarHBondContact O-CB 3.44Å; S202-Y208 VanDerWaalsContact O-CD1 3.25Å; S202-Y208 WeakPolarHBondContact O-CD1 3.45Å; E203-Y208 WeakPolarHBondContact OE1-CE1 3.42Å; E205-Y208 WeakPolarHBondContact O-CB 3.23Å; E205-Y208 PolarHBondContact O-N 3.3Å; Y208-G212 WeakPolarHBondContact O-CA 3.35Å; Y208-G212 PolarHBondContact O-N 3.47Å; Y208-G212 VanDerWaalsContact O-N 3.11Å
209	S	68	Low	69.2	Low	21 Å²	21	56.2 Å²	56.2	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	62.7	-168.5	176.2	-157.4	0	0	0	0	113.6	T132 R136 A213	T132-S209 PolarHBondContact O-N 3.42Å; T132-S209 VanDerWaalsContact O-N 3.12Å; R136-S209 VanDerWaalsContact NH1-CA 3.32Å; R136-S209 PolarHBondContact NH1-OG 2.93Å; R136-S209 VanDerWaalsContact NH1-OG 3.12Å; S209-A213 WeakPolarHBondContact O-CB 3.47Å; S209-A213 PolarHBondContact O-N 3.23Å; S209-A213 VanDerWaalsContact O-N 3.07Å
210	Y	59.5	Low	67.2	Low	57 Å²	57	56.4 Å²	56.4	22%	0.224	28%	0.279	C	S	.	.	H	α-helix	trans	-67.5	-39.5	-174.3	-59.8	-70.5	0	0	0	113.1	T132 A138 F214 H223	T132-Y210 HydrophobicContact CG2-CD1 3.63Å; T132-Y210 HydrophobicContact CG2-CE1 3.95Å; T132-Y210 HydrophobicContact CG2-CG 4.37Å; A138-Y210 HydrophobicContact CB-CE1 3.9Å; Y210-F214 WeakPolarHBondContact O-CB 3.28Å; Y210-F214 PolarHBondContact O-N 3.33Å; Y210-H223 HydrophobicContact CD1-CB 3.91Å; Y210-H223 HydrophobicContact CE1-CB 3.8Å; Y210-H223 HydrophobicContact CG-CB 4.42Å
211	E	62.9	Low	64.9	Low	174 Å²	174	53.8 Å²	53.8	81%	0.813	27%	0.267	S	S	*	.	H	α-helix	trans	-74.9	-46.1	-177.2	-62.1	-168.9	169.1	0	0	111	F214 S215	E211-F214 PolarHBondContact O-N 3.44Å; E211-S215 PolarHBondContact O-N 2.9Å
212	G	61.6	Low	62.7	Low	8 Å²	8	51.7 Å²	51.7	8%	0.082	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-46.3	177.2	0	0	0	0	0	111.7	M206 Y207 Y208 F214 S215	M206-G212 WeakPolarHBondContact O-CA 3.4Å; Y207-G212 VanDerWaalsContact CA-C 3.44Å; Y207-G212 WeakPolarHBondContact CD1-O 3.07Å; Y207-G212 CarbonylContact O-C 3.58Å; Y208-G212 WeakPolarHBondContact O-CA 3.35Å; Y208-G212 PolarHBondContact O-N 3.47Å; Y208-G212 VanDerWaalsContact O-N 3.11Å; G212-F214 PolarHBondContact O-N 3.17Å; G212-S215 PolarHBondContact O-N 3.26Å; G212-S215 VanDerWaalsContact O-N 3.13Å; G212-S215 PolarHBondContact O-OG 3.18Å
213	A	57.7	Low	60.5	Low	2 Å²	2	53.5 Å²	53.5	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-53.1	-55.5	173.3	0	0	0	0	0	109.4	T132 Y207 S209 S215 N216 F220	T132-A213 HydrophobicContact CG2-CB 4.36Å; Y207-A213 PolarHBondContact O-N 2.9Å; Y207-A213 VanDerWaalsContact O-N 3.16Å; S209-A213 WeakPolarHBondContact O-CB 3.47Å; S209-A213 PolarHBondContact O-N 3.23Å; S209-A213 VanDerWaalsContact O-N 3.07Å; A213-S215 PolarHBondContact O-N 2.98Å; A213-N216 PolarHBondContact O-N 3.36Å; A213-F220 VanDerWaalsContact C-CE1 3.49Å; A213-F220 HydrophobicContact CB-CD1 4.11Å; A213-F220 WeakPolarHBondContact O-CD1 3.43Å; A213-F220 WeakPolarHBondContact O-CE1 3.22Å; A213-F220 VanDerWaalsContact O-CZ 3.27Å; A213-F220 WeakPolarHBondContact O-CZ 3.16Å
214	F	60.2	Low	58.6	Low	57 Å²	57	47.5 Å²	47.5	25%	0.25	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-23.8	-178.4	-171.3	-98.4	0	0	0	115.8	Y210 E211 G212 K222 Y256	Y210-F214 WeakPolarHBondContact O-CB 3.28Å; Y210-F214 PolarHBondContact O-N 3.33Å; E211-F214 PolarHBondContact O-N 3.44Å; G212-F214 PolarHBondContact O-N 3.17Å; F214-K222 HydrophobicContact CD2-CD 4.34Å; F214-Y256 HydrophobicContact CZ-CE2 4.31Å
215	S	57	Low	56.1	Low	64 Å²	64	46 Å²	46	45%	0.448	23%	0.23	S	C	.	.	H	α-helix	trans	-74.3	-25.5	-178.8	77.3	0	0	0	0	113.7	Y207 E211 G212 A213	Y207-S215 WeakPolarHBondContact CD1-OG 3.34Å; Y207-S215 WeakPolarHBondContact CE1-OG 3.41Å; E211-S215 PolarHBondContact O-N 2.9Å; G212-S215 PolarHBondContact O-N 3.26Å; G212-S215 VanDerWaalsContact O-N 3.13Å; G212-S215 PolarHBondContact O-OG 3.18Å; A213-S215 PolarHBondContact O-N 2.98Å
216	N	49.7	Very low	53.4	Low	16 Å²	16	54.6 Å²	54.6	9%	0.086	27%	0.267	C	S	.	.	S	Bend	trans	-69	156.3	170.5	-168.4	-19.7	0	0	0	107.8	C130 Y207 A213 T218 F220	C130-N216 PolarHBondContact SG-ND2 3.02Å; Y207-N216 HydrophobicContact CD1-CB 3.79Å; Y207-N216 HydrophobicContact CD2-CB 4.07Å; Y207-N216 VanDerWaalsContact CD2-ND2 3.27Å; Y207-N216 WeakPolarHBondContact CD2-ND2 3.01Å; Y207-N216 HydrophobicContact CE1-CB 3.62Å; Y207-N216 HydrophobicContact CE2-CB 3.91Å; Y207-N216 WeakPolarHBondContact CE2-ND2 3.31Å; Y207-N216 HydrophobicContact CG-CB 4.03Å; A213-N216 PolarHBondContact O-N 3.36Å; N216-T218 PolarHBondContact O-N 3.39Å; N216-F220 HydrophobicContact CB-CE1 3.72Å; N216-F220 HydrophobicContact CB-CZ 3.56Å; N216-F220 WeakPolarHBondContact O-CE2 3.39Å; N216-F220 WeakPolarHBondContact O-CZ 3.35Å
217	Q	51.2	Low	51	Low	129 Å²	129	52.4 Å²	52.4	60%	0.603	26%	0.26	S	S	*	.	S	Bend	trans	-99.6	18.2	-166.5	-78.4	-162.6	26.5	0	0	114.4	K113	K113-Q217 WeakPolarHBondContact CD-O 3.19Å; K113-Q217 WeakPolarHBondContact CE-O 3.2Å; K113-Q217 PolarHBondContact NZ-O 2.76Å
218	T	48.4	Very low	48.6	Very low	46 Å²	46	54.9 Å²	54.9	28%	0.282	27%	0.273	S	S	.	.	S	Bend	trans	-143	115.1	-166.2	-36.7	0	0	0	0	113.4	K128 C130 N216 F220	K128-T218 HydrophobicContact CB-CG2 3.55Å; K128-T218 HydrophobicContact CD-CG2 4.48Å; C130-T218 PolarHBondContact SG-O 3.18Å; N216-T218 PolarHBondContact O-N 3.39Å; T218-F220 VanDerWaalsContact O-CE1 3.23Å; T218-F220 WeakPolarHBondContact O-CE1 3.31Å; T218-F220 WeakPolarHBondContact O-CE2 3.21Å; T218-F220 WeakPolarHBondContact O-CZ 3.22Å
219	L	43.6	Very low	46.4	Very low	21 Å²	21	55.6 Å²	55.6	11%	0.11	28%	0.281	C	S	.	.			trans	32	107.4	168.6	-140.7	116.9	0	0	0	118	V111 V112 I119 L124 K128 C130	V111-L219 CarbonylContact O-C 3.47Å; V111-L219 WeakPolarHBondContact O-CA 3.36Å; V112-L219 HydrophobicContact CB-CD1 4.21Å; V112-L219 HydrophobicContact CG1-CD1 3.24Å; V112-L219 HydrophobicContact CG1-CG 3.68Å; I119-L219 HydrophobicContact CB-CD1 4.48Å; I119-L219 HydrophobicContact CD1-CD1 4.07Å; I119-L219 HydrophobicContact CG2-CD1 3.53Å; L124-L219 HydrophobicContact CD1-CD2 4.46Å; L124-L219 HydrophobicContact CD2-CD1 4.01Å; L124-L219 HydrophobicContact CD2-CD2 3.67Å; K128-L219 WeakPolarHBondContact O-CB 3.15Å; C130-L219 PolarHBondContact N-O 3.37Å
220	F	52.2	Low	44.7	Very low	6 Å²	6	56.8 Å²	56.8	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	163.4	-169.6	-61.7	-71.6	0	0	0	115	A110 V111 C130 A213 N216 T218	A110-F220 CarbonylContact C-O 3.59Å; A110-F220 WeakPolarHBondContact CA-O 3.34Å; V111-F220 HydrophobicContact CB-CB 4.42Å; V111-F220 PolarHBondContact N-O 2.92Å; V111-F220 PolarHBondContact O-N 2.9Å; C130-F220 HydrophobicContact CB-CD1 3.28Å; C130-F220 HydrophobicContact CB-CE1 2.94Å; C130-F220 HydrophobicContact CB-CG 4.47Å; C130-F220 HydrophobicContact CB-CZ 3.97Å; C130-F220 WeakPolarHBondContact SG-CE1 3.48Å; A213-F220 VanDerWaalsContact C-CE1 3.49Å; A213-F220 HydrophobicContact CB-CD1 4.11Å; A213-F220 WeakPolarHBondContact O-CD1 3.43Å; A213-F220 WeakPolarHBondContact O-CE1 3.22Å; A213-F220 VanDerWaalsContact O-CZ 3.27Å; A213-F220 WeakPolarHBondContact O-CZ 3.16Å; N216-F220 HydrophobicContact CB-CE1 3.72Å; N216-F220 HydrophobicContact CB-CZ 3.56Å; N216-F220 WeakPolarHBondContact O-CE2 3.39Å; N216-F220 WeakPolarHBondContact O-CZ 3.35Å; T218-F220 VanDerWaalsContact O-CE1 3.23Å; T218-F220 WeakPolarHBondContact O-CE1 3.31Å; T218-F220 WeakPolarHBondContact O-CE2 3.21Å; T218-F220 WeakPolarHBondContact O-CZ 3.22Å
221	T	42.3	Very low	43.1	Very low	11 Å²	11	62.4 Å²	62.4	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.9	165.3	-26.8	0	0	0	0	111.2	A108 V109 A138 P143 W264	A108-T221 HydrophobicContact CB-CG2 4.45Å; V109-T221 VanDerWaalsContact C-CG2 3.47Å; V109-T221 CarbonylContact O-C 3.6Å; V109-T221 WeakPolarHBondContact O-CA 3.38Å; V109-T221 WeakPolarHBondContact O-CG2 3.36Å; A138-T221 WeakPolarHBondContact O-CB 3.36Å; A138-T221 WeakPolarHBondContact O-CG2 3.17Å; P143-T221 HydrophobicContact CB-CG2 4.41Å; P143-T221 HydrophobicContact CG-CG2 4.38Å; T221-W264 HydrophobicContact CG2-CZ3 4.26Å
222	K	40.1	Very low	41.4	Very low	59 Å²	59	58.8 Å²	58.8	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.8	-176.3	-163.3	177.8	177.1	170.8	0	112.9	V109 V111 F214	V109-K222 HydrophobicContact CG2-CB 4.23Å; V109-K222 WeakPolarHBondContact CG2-O 3.28Å; V109-K222 PolarHBondContact N-O 1.98Å; V109-K222 PolarHBondContact O-N 2.89Å; V111-K222 HydrophobicContact CG2-CB 4.33Å; F214-K222 HydrophobicContact CD2-CD 4.34Å
223	H	36.3	Very low	39.7	Very low	56 Å²	56	64 Å²	64	26%	0.259	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.4	166.2	-171.5	44.3	0	0	0	112.1	Y106 Y210 L225	Y106-H223 WeakPolarHBondContact CB-CE1 3.45Å; Y106-H223 VanDerWaalsContact CB-ND1 3.35Å; Y106-H223 WeakPolarHBondContact CB-ND1 3.43Å; Y106-H223 AromaticContact CD1-CE1 3.69Å; Y106-H223 AromaticContact CD2-CE1 3.63Å; Y106-H223 AromaticContact CD2-ND1 3.13Å; Y106-H223 WeakPolarHBondContact CD2-ND1 3.17Å; Y106-H223 AromaticContact CE2-ND1 3.89Å; Y106-H223 AromaticContact CG-CE1 3.22Å; Y106-H223 AromaticContact CG-ND1 3.24Å; Y210-H223 HydrophobicContact CD1-CB 3.91Å; Y210-H223 HydrophobicContact CE1-CB 3.8Å; Y210-H223 HydrophobicContact CG-CB 4.42Å; H223-L225 WeakPolarHBondContact CE1-CD1 3.18Å; H223-L225 WeakPolarHBondContact NE2-CD1 3.26Å
224	V	38	Very low	38.4	Very low	20 Å²	20	68.5 Å²	68.5	12%	0.121	36%	0.364	C	S	.	.			trans	-114.4	42.2	-178.3	-175.2	0	0	0	0	113.1	Y107 V109 K226 S227	Y107-V224 PolarHBondContact O-N 3.17Å; V109-V224 HydrophobicContact CB-CG2 4.17Å; V109-V224 HydrophobicContact CG1-CG2 3.55Å; V109-V224 HydrophobicContact CG2-CG2 3.44Å; V109-V224 VanDerWaalsContact CG2-CG2 3.44Å; V224-K226 VanDerWaalsContact C-N 3.29Å; V224-S227 WeakPolarHBondContact CA-OG 3.5Å; V224-S227 WeakPolarHBondContact CB-OG 3.47Å; V224-S227 WeakPolarHBondContact CG1-OG 3.15Å; V224-S227 WeakPolarHBondContact CG2-OG 3.32Å
225	L	29.1	Very low	37	Very low	64 Å²	64	73.1 Å²	73.1	34%	0.335	39%	0.391	S	S	.	.	S	Bend	trans	-78.7	-12.6	165.7	-78.1	174.2	0	0	0	112.9	D102 H223	D102-L225 HydrophobicContact CB-CD2 4.31Å; D102-L225 WeakPolarHBondContact OD2-CD2 3.05Å; H223-L225 WeakPolarHBondContact CE1-CD1 3.18Å; H223-L225 WeakPolarHBondContact NE2-CD1 3.26Å
226	K	27.4	Very low	35.7	Very low	182 Å²	182	80.8 Å²	80.8	79%	0.791	41%	0.41	S	S	*	.	S	Bend	trans	-119.5	-15.7	-179.9	-79	-179.9	179	170.7	0	115.5	V224	V224-K226 VanDerWaalsContact C-N 3.29Å
227	S	31.8	Very low	35	Very low	39 Å²	39	91.8 Å²	91.8	27%	0.273	45%	0.451	S	S	.	.	S	Bend	trans	-86	-12.9	-179.8	33.9	0	0	0	0	114.2	V224 V229 C230	V224-S227 WeakPolarHBondContact CA-OG 3.5Å; V224-S227 WeakPolarHBondContact CB-OG 3.47Å; V224-S227 WeakPolarHBondContact CG1-OG 3.15Å; V224-S227 WeakPolarHBondContact CG2-OG 3.32Å; S227-V229 PolarHBondContact O-N 3.32Å; S227-C230 PolarHBondContact O-N 3.49Å
228	Q	29	Very low	33.8	Very low	83 Å²	83	95.3 Å²	95.3	39%	0.388	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-33.8	168.2	-140.4	160.2	-0.1	0	0	110.1	C230 F231 T232	Q228-C230 PolarHBondContact O-N 2.97Å; Q228-F231 PolarHBondContact O-N 3.42Å; Q228-T232 HydrophobicContact CG-CG2 4.46Å; Q228-T232 PolarHBondContact O-N 2.96Å; Q228-T232 PolarHBondContact O-OG1 3.42Å
229	V	29.5	Very low	33.3	Very low	53 Å²	53	101.6 Å²	101.6	32%	0.321	49%	0.487	S	S	.	.	H	α-helix	trans	-65.1	-35	175.9	-162.2	0	0	0	0	112.9	S227 F231 E233 Y246	S227-V229 PolarHBondContact O-N 3.32Å; V229-F231 VanDerWaalsContact C-N 3.26Å; V229-F231 PolarHBondContact O-N 3.43Å; V229-E233 WeakPolarHBondContact CG1-OE2 3.16Å; V229-E233 VanDerWaalsContact O-CB 3.3Å; V229-E233 WeakPolarHBondContact O-CB 3.29Å; V229-E233 PolarHBondContact O-N 2.71Å; V229-Y246 VanDerWaalsContact C-OH 3.22Å; V229-Y246 HydrophobicContact CG1-CE2 4.23Å; V229-Y246 VanDerWaalsContact CG1-OH 3.28Å; V229-Y246 WeakPolarHBondContact CG1-OH 3.34Å; V229-Y246 PolarHBondContact O-OH 3.27Å; V229-Y246 VanDerWaalsContact O-OH 3.06Å
230	C	30.6	Very low	32.6	Very low	46 Å²	46	107 Å²	107	31%	0.311	52%	0.517	S	S	.	.	H	α-helix	trans	-70.6	-20.3	173.3	-71.1	0	0	0	0	112.1	S227 Q228 C250	S227-C230 PolarHBondContact O-N 3.49Å; Q228-C230 PolarHBondContact O-N 2.97Å; C230-C250 HydrophobicContact CB-CB 4.37Å; C230-C250 WeakPolarHBondContact CB-SG 3.11Å; C230-C250 WeakPolarHBondContact SG-CB 3.38Å; C230-C250 CovalentContact SG-SG 2.09Å; C230-C250 PolarHBondContact SG-SG 2.86Å
231	F	27.1	Very low	31.4	Very low	175 Å²	175	115.9 Å²	115.9	77%	0.768	56%	0.56	S	S	*	*	H	α-helix	trans	-97.5	-31.1	-178.9	-99.6	-87.9	0	0	0	113.6	Q228 V229	Q228-F231 PolarHBondContact O-N 3.42Å; V229-F231 VanDerWaalsContact C-N 3.26Å; V229-F231 PolarHBondContact O-N 3.43Å
232	T	26	Very low	30.8	Very low	98 Å²	98	124 Å²	124	60%	0.601	60%	0.595	S	S	*	*	H	α-helix	trans	-94	-19.3	-177.2	52.5	0	0	0	0	114.2	Q228 A234	Q228-T232 HydrophobicContact CG-CG2 4.46Å; Q228-T232 PolarHBondContact O-N 2.96Å; Q228-T232 PolarHBondContact O-OG1 3.42Å; T232-A234 PolarHBondContact O-N 3.39Å
233	E	27.2	Very low	30.3	Very low	117 Å²	117	126.5 Å²	126.5	55%	0.547	61%	0.605	S	S	.	*	G	3₁₀ helix	trans	-93.7	13.9	-173.5	-136.3	160.7	-154.3	0	0	114.9	V229 N235	V229-E233 WeakPolarHBondContact CG1-OE2 3.16Å; V229-E233 VanDerWaalsContact O-CB 3.3Å; V229-E233 WeakPolarHBondContact O-CB 3.29Å; V229-E233 PolarHBondContact O-N 2.71Å; E233-N235 PolarHBondContact O-N 3.03Å; E233-N235 VanDerWaalsContact O-N 3.13Å
234	A	30.1	Very low	30	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-64.6	-7	165.1	0	0	0	0	0	113.1	T232	T232-A234 PolarHBondContact O-N 3.39Å
235	N	31.2	Very low	29.7	Very low	153 Å²	153	134.8 Å²	134.8	82%	0.818	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-124.9	13.4	-171.7	-123.8	-2.3	0	0	0	117.8	E233	E233-N235 PolarHBondContact O-N 3.03Å; E233-N235 VanDerWaalsContact O-N 3.13Å
236	R	29.1	Very low	29.8	Very low	226 Å²	226	135.8 Å²	135.8	85%	0.853	66%	0.657	S	S	*	*			trans	-147.1	118.3	169.9	-115.5	171.7	177.6	175.4	-1.3	114.1
237	R	34.6	Very low	29.9	Very low	246 Å²	246	134.8 Å²	134.8	93%	0.928	65%	0.648	S	S	*	*			trans	-75.9	125.8	171.8	-67.8	179.9	-178.1	-169.3	1.3	109.9
238	K	27.4	Very low	30.1	Very low	203 Å²	203	139.2 Å²	139.2	88%	0.883	66%	0.664	S	S	*	*			trans	-167	164.1	133.8	-104.4	171.7	-171.2	-173.7	0	112.3
239	K	36.1	Very low	30.4	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	68%	0.677	S	S	*	*			trans	-78.5	143.2	-159.4	-71.2	169.6	167.2	178.2	0	112.7
240	D	28.8	Very low	30.7	Very low	136 Å²	136	141 Å²	141	73%	0.727	67%	0.672	S	S	*	*				167.7	167.9	125.6	-78.8	-18.6	0	0	0	113	K242	D240-K242 PolarHBondContact O-N 3.49Å
241	M	28	Very low	31	Very low	191 Å²	191	145.2 Å²	145.2	94%	0.941	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.1	-5.2	-161.9	-88.4	166.3	52.4	0	0	119.9	K243	M241-K243 PolarHBondContact O-N 3.27Å
242	K	29.4	Very low	31.8	Very low	183 Å²	183	140.9 Å²	140.9	80%	0.796	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-6.8	173.6	-75	-179.1	177.2	175.4	0	114.1	D240 Q244 Y246	D240-K242 PolarHBondContact O-N 3.49Å; K242-Q244 VanDerWaalsContact C-N 3.34Å; K242-Q244 PolarHBondContact O-N 3.3Å; K242-Y246 WeakPolarHBondContact O-CB 3.4Å; K242-Y246 PolarHBondContact O-N 3.47Å
243	K	30.1	Very low	32.6	Very low	110 Å²	110	139.8 Å²	139.8	48%	0.478	66%	0.663	S	S	.	*	H	α-helix	trans	-62.9	-25.8	-174.2	-108.2	175.5	-177.6	170.7	0	115.9	M241 R247	M241-K243 PolarHBondContact O-N 3.27Å; K243-R247 WeakPolarHBondContact O-CB 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.48Å; K243-R247 PolarHBondContact O-N 3.17Å
244	Q	30	Very low	33.7	Very low	169 Å²	169	141.9 Å²	141.9	79%	0.79	67%	0.671	S	S	*	*	H	α-helix	trans	-83.3	-42.4	-171.4	-149.6	167.1	0.5	0	0	112.6	K242 Q248	K242-Q244 VanDerWaalsContact C-N 3.34Å; K242-Q244 PolarHBondContact O-N 3.3Å; Q244-Q248 PolarHBondContact O-N 3Å
245	A	30.7	Very low	34.5	Very low	81 Å²	81	144.6 Å²	144.6	67%	0.669	66%	0.661	S	S	*	*	H	α-helix	trans	-67.3	-37.9	169.1	0	0	0	0	0	111.8	Q248 H249	A245-Q248 PolarHBondContact O-N 3.36Å; A245-H249 PolarHBondContact O-N 3.38Å
246	Y	31.3	Very low	35.6	Very low	85 Å²	85	139.6 Å²	139.6	33%	0.333	63%	0.632	S	S	.	*	H	α-helix	trans	-67.6	-38.1	178.7	-165.6	-88	0	0	0	113.3	V229 K242 H249 C250	V229-Y246 VanDerWaalsContact C-OH 3.22Å; V229-Y246 HydrophobicContact CG1-CE2 4.23Å; V229-Y246 VanDerWaalsContact CG1-OH 3.28Å; V229-Y246 WeakPolarHBondContact CG1-OH 3.34Å; V229-Y246 PolarHBondContact O-OH 3.27Å; V229-Y246 VanDerWaalsContact O-OH 3.06Å; K242-Y246 WeakPolarHBondContact O-CB 3.4Å; K242-Y246 PolarHBondContact O-N 3.47Å; Y246-H249 PolarHBondContact O-N 3.44Å; Y246-C250 PolarHBondContact O-N 3.23Å; Y246-C250 VanDerWaalsContact O-N 3.11Å
247	R	30.3	Very low	36.7	Very low	161 Å²	161	132.2 Å²	132.2	61%	0.608	61%	0.607	S	S	*	*	H	α-helix	trans	-69.8	-29	174.5	-82.6	176.9	177.8	-159.2	-2.4	113.6	K243 K251	K243-R247 WeakPolarHBondContact O-CB 3.29Å; K243-R247 WeakPolarHBondContact O-CG 3.48Å; K243-R247 PolarHBondContact O-N 3.17Å; R247-K251 WeakPolarHBondContact O-CD 3.42Å; R247-K251 VanDerWaalsContact O-CG 3.23Å; R247-K251 WeakPolarHBondContact O-CG 3.43Å
248	Q	35	Very low	37.5	Very low	132 Å²	132	123.5 Å²	123.5	62%	0.617	58%	0.581	S	S	*	*	H	α-helix	trans	-74.7	-34.5	176.1	-154.1	78	-8.5	0	0	110.9	Q244 A245	Q244-Q248 PolarHBondContact O-N 3Å; A245-Q248 PolarHBondContact O-N 3.36Å
249	H	35.3	Very low	38.8	Very low	139 Å²	139	115.6 Å²	115.6	64%	0.644	55%	0.546	S	S	*	.	H	α-helix	trans	-81	-41.2	-177.1	-134.6	64.4	0	0	0	113.9	A245 Y246 K251	A245-H249 PolarHBondContact O-N 3.38Å; Y246-H249 PolarHBondContact O-N 3.44Å; H249-K251 VanDerWaalsContact C-N 3.28Å; H249-K251 PolarHBondContact O-N 2.88Å
250	C	35.9	Very low	39.2	Very low	34 Å²	34	112.8 Å²	112.8	23%	0.23	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.5	173.8	-52.3	0	0	0	0	113.2	C230 Y246 N252 T253	C230-C250 HydrophobicContact CB-CB 4.37Å; C230-C250 WeakPolarHBondContact CB-SG 3.11Å; C230-C250 WeakPolarHBondContact SG-CB 3.38Å; C230-C250 CovalentContact SG-SG 2.09Å; C230-C250 PolarHBondContact SG-SG 2.86Å; Y246-C250 PolarHBondContact O-N 3.23Å; Y246-C250 VanDerWaalsContact O-N 3.11Å; C250-N252 VanDerWaalsContact C-N 3.28Å; C250-N252 PolarHBondContact O-N 2.91Å; C250-T253 PolarHBondContact O-OG1 3.09Å
251	K	36.5	Very low	39.8	Very low	135 Å²	135	107.8 Å²	107.8	59%	0.587	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.6	173	-96.1	174.2	-177.3	-179.9	0	112.9	R247 H249	R247-K251 WeakPolarHBondContact O-CD 3.42Å; R247-K251 VanDerWaalsContact O-CG 3.23Å; R247-K251 WeakPolarHBondContact O-CG 3.43Å; H249-K251 VanDerWaalsContact C-N 3.28Å; H249-K251 PolarHBondContact O-N 2.88Å
252	N	44.6	Very low	40.3	Very low	84 Å²	84	110 Å²	110	45%	0.449	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-88.6	-12	-176.9	-83.9	-8.2	0	0	0	114.8	C250 K254 Y255 Y256	C250-N252 VanDerWaalsContact C-N 3.28Å; C250-N252 PolarHBondContact O-N 2.91Å; N252-K254 PolarHBondContact O-N 3.02Å; N252-K254 VanDerWaalsContact O-N 3.1Å; N252-Y255 PolarHBondContact O-N 3.49Å; N252-Y256 HydrophobicContact CB-CE2 4.47Å; N252-Y256 VanDerWaalsContact O-CD2 3.27Å; N252-Y256 WeakPolarHBondContact O-CD2 3.44Å
253	T	43.8	Very low	40.8	Very low	75 Å²	75	104.8 Å²	104.8	46%	0.46	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-65	-15.2	178.7	53.7	0	0	0	0	113.3	C250 Y255	C250-T253 PolarHBondContact O-OG1 3.09Å; T253-Y255 PolarHBondContact O-N 3.04Å
254	K	49.5	Very low	41.4	Very low	162 Å²	162	100.1 Å²	100.1	70%	0.704	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-64.8	-23.8	171.3	-71.8	-170	179	-173.5	0	113.4	K114 N252	K114-K254 WeakPolarHBondContact CD-O 3.19Å; K114-K254 WeakPolarHBondContact CE-O 3.13Å; K114-K254 PolarHBondContact NZ-O 2.58Å; N252-K254 PolarHBondContact O-N 3.02Å; N252-K254 VanDerWaalsContact O-N 3.1Å
255	Y	47.8	Very low	41.7	Very low	153 Å²	153	95 Å²	95	60%	0.6	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-100	-4.3	-172.9	-60.7	-75.8	0	0	0	114.9	K113 K114 N252 T253	K113-Y255 CarbonylContact C-O 3.57Å; K114-Y255 PolarHBondContact N-O 3.27Å; N252-Y255 PolarHBondContact O-N 3.49Å; T253-Y255 PolarHBondContact O-N 3.04Å
256	Y	53.2	Low	42.2	Very low	49 Å²	49	91.4 Å²	91.4	19%	0.192	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.8	-176.9	-59.2	-93	0	0	0	111.8	V111 V112 K113 K114 F214 N252	V111-Y256 HydrophobicContact CG1-CD1 4.16Å; V111-Y256 HydrophobicContact CG1-CG 4.41Å; V112-Y256 CarbonylContact O-C 3.4Å; V112-Y256 VanDerWaalsContact O-CA 3.26Å; V112-Y256 WeakPolarHBondContact O-CA 3.29Å; K113-Y256 HydrophobicContact CG-CD1 4.01Å; K113-Y256 HydrophobicContact CG-CE1 3.73Å; K114-Y256 WeakPolarHBondContact CE-O 3.18Å; K114-Y256 VanDerWaalsContact CG-C 3.47Å; F214-Y256 HydrophobicContact CZ-CE2 4.31Å; N252-Y256 HydrophobicContact CB-CE2 4.47Å; N252-Y256 VanDerWaalsContact O-CD2 3.27Å; N252-Y256 WeakPolarHBondContact O-CD2 3.44Å
257	Q	52.2	Low	42.6	Very low	70 Å²	70	88.8 Å²	88.8	33%	0.327	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.7	170.7	175.5	174.7	-2	0	0	107.8	V112 K114 F259	V112-Q257 HydrophobicContact CG2-CB 3.85Å; V112-Q257 HydrophobicContact CG2-CG 4.36Å; V112-Q257 PolarHBondContact N-O 3.33Å; V112-Q257 PolarHBondContact O-N 2.94Å; K114-Q257 HydrophobicContact CG-CB 4.11Å; Q257-F259 HydrophobicContact CG-CZ 4.4Å
258	V	52.3	Low	43.2	Very low	64 Å²	64	82.4 Å²	82.4	39%	0.388	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.5	177.2	-176.2	0	0	0	0	107.7	V109 V111 L260	V109-V258 HydrophobicContact CB-CG1 3.81Å; V109-V258 HydrophobicContact CG1-CG1 4.4Å; V109-V258 HydrophobicContact CG2-CG1 3.84Å; V111-V258 HydrophobicContact CG2-CG2 4.38Å; V258-L260 HydrophobicContact CG1-CD2 4.26Å; V258-L260 HydrophobicContact CG1-CG 4.05Å; V258-L260 PolarHBondContact O-N 3.29Å
259	F	54	Low	43.7	Very low	37 Å²	37	76.7 Å²	76.7	16%	0.162	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	93.7	166.6	-69	-69.7	0	0	0	108.3	A110 V112 I119 N120 Q257 G261	A110-F259 HydrophobicContact CB-CB 4.4Å; A110-F259 PolarHBondContact O-N 3.13Å; V112-F259 HydrophobicContact CB-CE2 4.19Å; V112-F259 HydrophobicContact CG1-CD2 3.95Å; V112-F259 HydrophobicContact CG1-CE2 3.56Å; V112-F259 HydrophobicContact CG2-CD2 4.32Å; V112-F259 HydrophobicContact CG2-CE2 3.49Å; V112-F259 VanDerWaalsContact CG2-CE2 3.49Å; V112-F259 HydrophobicContact CG2-CZ 4.13Å; I119-F259 WeakPolarHBondContact O-CZ 3.07Å; N120-F259 HydrophobicContact CB-CE1 4.02Å; N120-F259 HydrophobicContact CB-CZ 4.09Å; Q257-F259 HydrophobicContact CG-CZ 4.4Å; F259-G261 PolarHBondContact O-N 2.09Å
260	L	45	Very low	44	Very low	119 Å²	119	73.7 Å²	73.7	62%	0.623	36%	0.359	S	S	*	.			trans	-87	84.5	158.5	-65.4	171.8	0	0	0	106.4	V109 V258	V109-L260 HydrophobicContact CB-CD2 4.4Å; V109-L260 HydrophobicContact CG1-CD2 3.5Å; V258-L260 HydrophobicContact CG1-CD2 4.26Å; V258-L260 HydrophobicContact CG1-CG 4.05Å; V258-L260 PolarHBondContact O-N 3.29Å
261	G	41.1	Very low	44.6	Very low	30 Å²	30	73 Å²	73	31%	0.309	35%	0.353	S	S	.	.			trans	-64.6	151.6	161.5	0	0	0	0	0	108.5	F259 Y263 W264	F259-G261 PolarHBondContact O-N 2.09Å; G261-Y263 PolarHBondContact O-N 2.82Å; G261-W264 VanDerWaalsContact CA-CD1 3.42Å; G261-W264 PolarHBondContact O-N 3.11Å
262	R	37.3	Very low	45.3	Very low	238 Å²	238	66.6 Å²	66.6	90%	0.898	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-23.4	171.9	-81	-178.6	175.4	-170.9	-1.8	113.2
263	Y	41.7	Very low	45.9	Very low	74 Å²	74	62.7 Å²	62.7	29%	0.29	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-9.4	-176.8	-58.9	-91.6	0	0	0	115.6	Y146 G261 S265 L266 D673	Y146-Y263 HydrophobicContact CE2-CD2 4.49Å; Y146-Y263 HydrophobicContact CE2-CG 4.08Å; G261-Y263 PolarHBondContact O-N 2.82Å; Y263-S265 PolarHBondContact O-N 2.86Å; Y263-L266 WeakPolarHBondContact O-CD1 2.98Å; Y263-L266 WeakPolarHBondContact O-CG 3.25Å; Y263-D673 WeakPolarHBondContact CE1-OD2 3.47Å; Y263-D673 VanDerWaalsContact CZ-OD2 3.25Å; Y263-D673 PolarHBondContact OH-OD2 3.14Å
264	W	41.9	Very low	46.4	Very low	11 Å²	11	59.1 Å²	59.1	4%	0.042	28%	0.283	C	S	.	.			trans	-86.3	5.8	-177.7	-66.1	82.8	0	0	0	112.8	Y107 A108 I121 P143 Y146 T221 G261 L266	Y107-W264 WeakPolarHBondContact CD1-O 3.35Å; A108-W264 HydrophobicContact CB-CE3 4.43Å; A108-W264 WeakPolarHBondContact O-CB 3.38Å; I121-W264 HydrophobicContact CD1-CZ2 3.98Å; P143-W264 HydrophobicContact CB-CH2 3.93Å; P143-W264 HydrophobicContact CB-CZ3 4.06Å; Y146-W264 HydrophobicContact CD1-CH2 4.36Å; Y146-W264 AromaticContact CD1-CZ2 3.78Å; Y146-W264 HydrophobicContact CD1-CZ2 3.78Å; Y146-W264 HydrophobicContact CE1-CZ2 4.14Å; Y146-W264 HydrophobicContact CG-CZ2 4.34Å; T221-W264 HydrophobicContact CG2-CZ3 4.26Å; G261-W264 VanDerWaalsContact CA-CD1 3.42Å; G261-W264 PolarHBondContact O-N 3.11Å; W264-L266 PolarHBondContact O-N 3.05Å
265	S	36.3	Very low	46.5	Very low	63 Å²	63	51.5 Å²	51.5	44%	0.441	25%	0.25	S	C	.	.			trans	-69.9	42.4	159.7	-176.8	0	0	0	0	112.6	Y107 Y263 S267	Y107-S265 WeakPolarHBondContact CE1-OG 3.36Å; Y263-S265 PolarHBondContact O-N 2.86Å; S265-S267 VanDerWaalsContact C-N 3.29Å; S265-S267 PolarHBondContact O-N 3.42Å; S265-S267 VanDerWaalsContact O-N 3.17Å
266	L	41.6	Very low	46.7	Very low	5 Å²	5	44.5 Å²	44.5	3%	0.026	22%	0.222	C	C	.	.			trans	-96.6	77.6	179.7	-76	162.4	0	0	0	109.1	Y106 M142 Y263 W264 E268 N336 Y337 V340	Y106-L266 CarbonylContact O-C 3.49Å; M142-L266 HydrophobicContact CE-CB 3.2Å; M142-L266 HydrophobicContact CE-CD1 3.08Å; M142-L266 HydrophobicContact CE-CD2 4.02Å; M142-L266 HydrophobicContact CE-CG 3.56Å; M142-L266 HydrophobicContact SD-CB 4.41Å; Y263-L266 WeakPolarHBondContact O-CD1 2.98Å; Y263-L266 WeakPolarHBondContact O-CG 3.25Å; W264-L266 PolarHBondContact O-N 3.05Å; L266-E268 PolarHBondContact O-N 2.78Å; L266-N336 HydrophobicContact CD1-CB 4.4Å; L266-N336 HydrophobicContact CD2-CB 3.64Å; L266-N336 HydrophobicContact CG-CB 4.43Å; L266-Y337 VanDerWaalsContact CD2-CA 3.44Å; L266-Y337 HydrophobicContact CD2-CD2 4.32Å; L266-Y337 HydrophobicContact CD2-CG 4.44Å; L266-V340 HydrophobicContact CD1-CG2 4.26Å
267	S	40.4	Very low	46.4	Very low	29 Å²	29	45.7 Å²	45.7	20%	0.203	23%	0.229	C	C	.	.			trans	-39.4	94.6	152.6	163.3	0	0	0	0	112.5	S105 S265 V269	S105-S267 VanDerWaalsContact CB-CA 3.45Å; S105-S267 WeakPolarHBondContact CB-OG 3.41Å; S265-S267 VanDerWaalsContact C-N 3.29Å; S265-S267 PolarHBondContact O-N 3.42Å; S265-S267 VanDerWaalsContact O-N 3.17Å; S267-V269 VanDerWaalsContact C-N 3.28Å; S267-V269 PolarHBondContact O-N 2.96Å; S267-V269 VanDerWaalsContact OG-CG2 3.31Å; S267-V269 WeakPolarHBondContact OG-CG2 3.35Å
268	E	42	Very low	46.2	Very low	27 Å²	27	48.3 Å²	48.3	13%	0.126	25%	0.245	C	C	.	.			trans	-63.1	102.8	152	-174.1	172.4	-136.8	0	0	105.5	Y106 T137 L266 N270	Y106-E268 HydrophobicContact CD1-CB 4.31Å; Y106-E268 HydrophobicContact CE1-CB 3.61Å; Y106-E268 HydrophobicContact CE1-CG 4.34Å; Y106-E268 WeakPolarHBondContact CE1-OE2 3.5Å; Y106-E268 PolarHBondContact OH-OE2 3.16Å; T137-E268 HydrophobicContact CG2-CB 4.14Å; T137-E268 HydrophobicContact CG2-CG 4.31Å; T137-E268 PolarHBondContact OG1-OE1 2.95Å; T137-E268 PolarHBondContact OG1-OE2 3.36Å; L266-E268 PolarHBondContact O-N 2.78Å; E268-N270 PolarHBondContact O-N 3.06Å
269	V	46.1	Very low	45.9	Very low	13 Å²	13	49.9 Å²	49.9	8%	0.079	25%	0.248	C	C	.	.			trans	-72.1	92.5	175.5	-166	0	0	0	0	105.7	S267 N271 W332	S267-V269 VanDerWaalsContact C-N 3.28Å; S267-V269 PolarHBondContact O-N 2.96Å; S267-V269 VanDerWaalsContact OG-CG2 3.31Å; S267-V269 WeakPolarHBondContact OG-CG2 3.35Å; V269-N271 PolarHBondContact O-N 2.92Å; V269-N271 VanDerWaalsContact O-N 3.1Å; V269-W332 HydrophobicContact CB-CH2 3.7Å; V269-W332 HydrophobicContact CB-CZ2 3.7Å; V269-W332 HydrophobicContact CG1-CH2 3.83Å; V269-W332 HydrophobicContact CG1-CZ2 3.38Å; V269-W332 HydrophobicContact CG2-CH2 4.2Å; V269-W332 HydrophobicContact CG2-CZ2 4.02Å
270	N	41	Very low	45.9	Very low	75 Å²	75	49.3 Å²	49.3	40%	0.401	25%	0.246	S	C	.	.			trans	-67.4	-15	-168.2	-99.7	-37	0	0	0	112.7	E268	E268-N270 PolarHBondContact O-N 3.06Å
271	N	48.8	Very low	46.5	Very low	20 Å²	20	47.4 Å²	47.4	11%	0.107	24%	0.242	C	C	.	.			trans	-144.6	124.8	-174.8	-60	2.6	0	0	0	109.4	E97 K99 V269 S315 T318	E97-N271 HydrophobicContact CB-CB 3.48Å; E97-N271 VanDerWaalsContact CB-CB 3.48Å; E97-N271 HydrophobicContact CG-CB 4.22Å; E97-N271 WeakPolarHBondContact OE2-CB 3.49Å; K99-N271 WeakPolarHBondContact CE-ND2 3.45Å; V269-N271 PolarHBondContact O-N 2.92Å; V269-N271 VanDerWaalsContact O-N 3.1Å; N271-S315 VanDerWaalsContact CG-CB 3.42Å; N271-S315 WeakPolarHBondContact ND2-CB 3.31Å; N271-S315 PolarHBondContact ND2-OG 3.11Å; N271-T318 PolarHBondContact ND2-OG1 3.34Å
272	S	50.8	Low	47.6	Very low	1 Å²	1	47.9 Å²	47.9	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	161.9	163.5	-86	0	0	0	0	115.8	M77 S96 W332	M77-S272 CarbonylContact C-O 3.59Å; M77-S272 PolarHBondContact N-O 2.92Å; S96-S272 WeakPolarHBondContact CA-OG 3.17Å; S96-S272 WeakPolarHBondContact CB-OG 3.5Å; S96-S272 PolarHBondContact OG-OG 2.62Å; S272-W332 VanDerWaalsContact CB-CH2 3.42Å; S272-W332 WeakPolarHBondContact OG-CZ2 3.48Å
273	L	56.5	Low	49.1	Very low	2 Å²	2	42.8 Å²	42.8	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	-167.6	-159.4	-163.5	71.4	0	0	0	108.7	W25 S76 A95 E97 L289 F314 F321	W25-L273 HydrophobicContact CH2-CD1 4.03Å; W25-L273 HydrophobicContact CH2-CD2 4.15Å; W25-L273 HydrophobicContact CH2-CG 4.27Å; W25-L273 HydrophobicContact CZ2-CD1 3.86Å; S76-L273 WeakPolarHBondContact OG-CD1 3.24Å; A95-L273 CarbonylContact O-C 3.55Å; A95-L273 WeakPolarHBondContact O-CA 3.46Å; A95-L273 PolarHBondContact O-N 3.04Å; E97-L273 HydrophobicContact CG-CB 4.5Å; L273-L289 HydrophobicContact CD2-CD1 3.38Å; L273-L289 HydrophobicContact CD2-CD2 4.46Å; L273-F314 HydrophobicContact CD1-CD1 3.52Å; L273-F314 HydrophobicContact CD1-CE1 3.3Å; L273-F314 HydrophobicContact CD2-CD1 3.88Å; L273-F314 HydrophobicContact CD2-CE1 3.35Å; L273-F314 HydrophobicContact CD2-CZ 4.36Å; L273-F314 HydrophobicContact CG-CD1 4.3Å; L273-F314 HydrophobicContact CG-CE1 3.92Å; L273-F321 HydrophobicContact CD2-CD1 3.86Å; L273-F321 HydrophobicContact CD2-CE1 3.28Å; L273-F321 HydrophobicContact CD2-CE2 4.48Å; L273-F321 HydrophobicContact CD2-CZ 3.64Å; L273-F321 HydrophobicContact CG-CE1 4.43Å
274	V	54.4	Low	50.7	Low	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)		-92.9	151.1	-89.8	131.8	0	0	0	0	107.9	W25 A74 L75 A94 I285	W25-V274 HydrophobicContact CD2-CG2 4.48Å; W25-V274 HydrophobicContact CE3-CG2 4.29Å; W25-V274 HydrophobicContact CH2-CB 4.4Å; W25-V274 HydrophobicContact CH2-CG2 3.34Å; W25-V274 HydrophobicContact CZ2-CG2 3.5Å; W25-V274 VanDerWaalsContact CZ2-CG2 3.5Å; W25-V274 HydrophobicContact CZ3-CG2 3.74Å; A74-V274 HydrophobicContact CB-CB 4.22Å; A74-V274 HydrophobicContact CB-CG1 3.2Å; A74-V274 HydrophobicContact CB-CG2 3.89Å; L75-V274 VanDerWaalsContact C-CG2 3.4Å; L75-V274 VanDerWaalsContact O-CA 3.29Å; L75-V274 WeakPolarHBondContact O-CA 3.18Å; L75-V274 WeakPolarHBondContact O-CG2 3.25Å; A94-V274 WeakPolarHBondContact CA-O 3.25Å; A94-V274 WeakPolarHBondContact CB-O 3.49Å; A94-V274 PolarHBondContact N-O 2.79Å; V274-I285 HydrophobicContact CB-CG2 4.3Å; V274-I285 HydrophobicContact CG1-CD1 3.65Å; V274-I285 HydrophobicContact CG1-CG2 3.91Å
275	L	52.5	Low	52.3	Low	2 Å²	2	41 Å²	41	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.4	-177.6	-73.3	167	0	0	0	112.8	L67 D73 M77 F91 K92 M93	L67-L275 WeakPolarHBondContact CD1-O 3.32Å; L67-L275 HydrophobicContact CD2-CB 4.07Å; D73-L275 VanDerWaalsContact O-O 3.05Å; M77-L275 HydrophobicContact CE-CD1 4.1Å; M77-L275 HydrophobicContact SD-CD1 3.95Å; F91-L275 HydrophobicContact CB-CB 4.03Å; F91-L275 HydrophobicContact CB-CD1 4.3Å; F91-L275 HydrophobicContact CB-CD2 4.05Å; F91-L275 HydrophobicContact CB-CG 4.35Å; F91-L275 HydrophobicContact CD1-CD1 4.1Å; F91-L275 HydrophobicContact CD2-CB 4.25Å; F91-L275 HydrophobicContact CD2-CD1 3.11Å; F91-L275 HydrophobicContact CD2-CD2 3.17Å; F91-L275 HydrophobicContact CD2-CG 3.63Å; F91-L275 HydrophobicContact CE1-CD1 4.19Å; F91-L275 HydrophobicContact CE2-CD1 3.16Å; F91-L275 HydrophobicContact CE2-CD2 3.83Å; F91-L275 HydrophobicContact CE2-CG 4.09Å; F91-L275 HydrophobicContact CG-CB 4.22Å; F91-L275 HydrophobicContact CG-CD1 3.57Å; F91-L275 HydrophobicContact CG-CD2 3.9Å; F91-L275 HydrophobicContact CG-CG 4.09Å; F91-L275 HydrophobicContact CZ-CD1 3.73Å; K92-L275 WeakPolarHBondContact O-CA 3.45Å; K92-L275 WeakPolarHBondContact O-CD2 3.27Å; M93-L275 HydrophobicContact CB-CD2 4.49Å; M93-L275 HydrophobicContact CG-CD2 4.27Å; M93-L275 VanDerWaalsContact N-CD2 3.33Å; M93-L275 HydrophobicContact SD-CD2 3.42Å; M93-L275 WeakPolarHBondContact SD-CD2 3.49Å; M93-L275 HydrophobicContact SD-CG 4.23Å
276	M	51.6	Low	54.3	Low	5 Å²	5	39.8 Å²	39.8	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	143.6	-172.4	-118.1	-154.5	71.8	0	0	114.3	D73 K92 H280 I285	D73-M276 WeakPolarHBondContact O-CG 3.41Å; K92-M276 PolarHBondContact O-N 3.49Å; M276-H280 HydrophobicContact CE-CB 3.65Å; M276-H280 VanDerWaalsContact CE-O 3.22Å; M276-H280 WeakPolarHBondContact CE-O 3.23Å; M276-H280 HydrophobicContact SD-CB 3.55Å; M276-H280 VanDerWaalsContact SD-CB 3.55Å; M276-I285 HydrophobicContact CB-CD1 4.39Å; M276-I285 HydrophobicContact CG-CD1 3.44Å; M276-I285 VanDerWaalsContact CG-CD1 3.44Å; M276-I285 HydrophobicContact SD-CD1 3.4Å; M276-I285 WeakPolarHBondContact SD-CD1 3.4Å; M276-I285 HydrophobicContact SD-CG1 4.07Å
277	F	47.1	Very low	56.2	Low	74 Å²	74	42.4 Å²	42.4	33%	0.325	22%	0.223	S	C	.	.			trans	-109.5	106.7	172.8	-137.5	-84.3	0	0	0	110.1	T90 H279	T90-F277 VanDerWaalsContact O-CE2 3.24Å; T90-F277 WeakPolarHBondContact O-CE2 3.35Å; F277-H279 VanDerWaalsContact C-N 3.26Å; F277-H279 PolarHBondContact O-N 3.06Å
278	D	47.9	Very low	58.2	Low	126 Å²	126	41.1 Å²	41.1	67%	0.674	21%	0.214	S	C	*	.	S	Bend	trans	53.7	-5.1	154.7	-125.7	15.9	0	0	0	121.7
279	H	46.3	Very low	60	Low	97 Å²	97	39.9 Å²	39.9	45%	0.449	21%	0.208	S	C	.	.	S	Bend	trans	-103.4	-19.8	-172.9	-100.6	-71.9	0	0	0	116.9	Q21 F277	Q21-H279 PolarHBondContact NE2-O 3.24Å; F277-H279 VanDerWaalsContact C-N 3.26Å; F277-H279 PolarHBondContact O-N 3.06Å
280	H	53.5	Low	61.6	Low	24 Å²	24	40.6 Å²	40.6	11%	0.111	21%	0.213	C	C	.	.	S	Bend	trans	-134.5	147.1	177.1	-45.9	-66.3	0	0	0	109.8	Q21 D73 M276 Q282 V284	Q21-H280 VanDerWaalsContact CB-CE1 3.46Å; Q21-H280 WeakPolarHBondContact CB-CE1 3.37Å; Q21-H280 VanDerWaalsContact CD-ND1 3.27Å; Q21-H280 PolarHBondContact OE1-CE1 3.37Å; Q21-H280 VanDerWaalsContact OE1-CE1 3.3Å; Q21-H280 PolarHBondContact OE1-ND1 3.45Å; D73-H280 IonicContact OD1-NE2 2.61Å; M276-H280 HydrophobicContact CE-CB 3.65Å; M276-H280 VanDerWaalsContact CE-O 3.22Å; M276-H280 WeakPolarHBondContact CE-O 3.23Å; M276-H280 HydrophobicContact SD-CB 3.55Å; M276-H280 VanDerWaalsContact SD-CB 3.55Å; H280-Q282 PolarHBondContact O-N 3.38Å; H280-V284 HydrophobicContact CB-CB 4.47Å
281	S	58.2	Low	63.5	Low	80 Å²	80	40.9 Å²	40.9	56%	0.559	21%	0.212	S	C	*	.			trans	-64.3	135.5	170.2	-72.7	0	0	0	0	108.8	H283 V284	S281-H283 PolarHBondContact O-N 2.92Å; S281-V284 WeakPolarHBondContact O-CB 3.41Å; S281-V284 PolarHBondContact O-N 3.36Å
282	Q	63.6	Low	64.7	Low	40 Å²	40	40.2 Å²	40.2	19%	0.187	21%	0.208	C	C	.	.	H	α-helix	trans	-51.3	-30.7	177.4	-67.6	162.2	-58.4	0	0	112.6	M93 A94 H280 V284 I285 F286 N327	M93-Q282 PolarHBondContact O-NE2 3.44Å; A94-Q282 HydrophobicContact CB-CB 4.44Å; H280-Q282 PolarHBondContact O-N 3.38Å; Q282-V284 VanDerWaalsContact C-N 3.26Å; Q282-V284 PolarHBondContact O-N 3.49Å; Q282-I285 PolarHBondContact O-N 2.84Å; Q282-F286 PolarHBondContact O-N 2.76Å; Q282-N327 VanDerWaalsContact NE2-CB 3.28Å; Q282-N327 PolarHBondContact NE2-ND2 3.28Å; Q282-N327 PolarHBondContact NE2-OD1 3.08Å; Q282-N327 VanDerWaalsContact NE2-OD1 3.09Å; Q282-N327 VanDerWaalsContact OE1-CG 3.27Å; Q282-N327 PolarHBondContact OE1-ND2 3.45Å
283	H	69.2	Low	65.7	Low	130 Å²	130	43.7 Å²	43.7	60%	0.602	23%	0.226	S	C	*	.	H	α-helix	trans	-55.6	-35	171.6	-65.4	-64.7	0	0	0	113.8	S281 F286 V287	S281-H283 PolarHBondContact O-N 2.92Å; H283-F286 PolarHBondContact O-N 2.93Å; H283-V287 VanDerWaalsContact O-CB 3.28Å; H283-V287 WeakPolarHBondContact O-CB 3.39Å; H283-V287 WeakPolarHBondContact O-CG2 3.47Å; H283-V287 PolarHBondContact O-N 2.95Å
284	V	75.9	Confident	66.2	Low	46 Å²	46	51.1 Å²	51.1	28%	0.279	26%	0.26	S	S	.	.	H	α-helix	trans	-66.2	-46.1	-177.7	179.5	0	0	0	0	111.2	P50 H280 S281 Q282 V287 V288	P50-V284 HydrophobicContact CG-CG1 3.63Å; H280-V284 HydrophobicContact CB-CB 4.47Å; S281-V284 WeakPolarHBondContact O-CB 3.41Å; S281-V284 PolarHBondContact O-N 3.36Å; Q282-V284 VanDerWaalsContact C-N 3.26Å; Q282-V284 PolarHBondContact O-N 3.49Å; V284-V287 PolarHBondContact O-N 3.24Å; V284-V288 WeakPolarHBondContact O-CB 3.26Å; V284-V288 VanDerWaalsContact O-CG2 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.48Å; V284-V288 PolarHBondContact O-N 2.85Å
285	I	74.9	Confident	66.7	Low	1 Å²	1	53 Å²	53	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-65.4	-45.6	178.1	-65.9	-172.3	0	0	0	110.5	I23 A74 A94 V274 M276 Q282 V287 V288 L289	I23-I285 HydrophobicContact CD1-CG1 4.06Å; A74-I285 HydrophobicContact CB-CD1 4.3Å; A94-I285 HydrophobicContact CB-CB 4.38Å; A94-I285 HydrophobicContact CB-CG2 4.34Å; V274-I285 HydrophobicContact CB-CG2 4.3Å; V274-I285 HydrophobicContact CG1-CD1 3.65Å; V274-I285 HydrophobicContact CG1-CG2 3.91Å; M276-I285 HydrophobicContact CB-CD1 4.39Å; M276-I285 HydrophobicContact CG-CD1 3.44Å; M276-I285 VanDerWaalsContact CG-CD1 3.44Å; M276-I285 HydrophobicContact SD-CD1 3.4Å; M276-I285 WeakPolarHBondContact SD-CD1 3.4Å; M276-I285 HydrophobicContact SD-CG1 4.07Å; Q282-I285 PolarHBondContact O-N 2.84Å; I285-V287 PolarHBondContact O-N 2.82Å; I285-V288 PolarHBondContact O-N 2.85Å; I285-L289 HydrophobicContact CG2-CD1 3.72Å; I285-L289 HydrophobicContact CG2-CG 4.39Å; I285-L289 WeakPolarHBondContact O-CB 3.41Å; I285-L289 WeakPolarHBondContact O-CD1 3.42Å; I285-L289 WeakPolarHBondContact O-CG 3.5Å; I285-L289 PolarHBondContact O-N 2.93Å
286	F	78.2	Confident	67.1	Low	38 Å²	38	62.2 Å²	62.2	17%	0.167	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-44.9	177.9	177.4	-97.7	0	0	0	112.2	A95 Q282 H283 L289 T290 F321 V323	A95-F286 HydrophobicContact CB-CD2 4.06Å; Q282-F286 PolarHBondContact O-N 2.76Å; H283-F286 PolarHBondContact O-N 2.93Å; F286-L289 PolarHBondContact O-N 2.64Å; F286-T290 HydrophobicContact CD1-CG2 4.44Å; F286-T290 HydrophobicContact CD2-CG2 4.27Å; F286-T290 HydrophobicContact CE1-CG2 3.94Å; F286-T290 HydrophobicContact CE2-CG2 3.74Å; F286-T290 HydrophobicContact CZ-CG2 3.56Å; F286-T290 WeakPolarHBondContact O-CB 3.47Å; F286-T290 WeakPolarHBondContact O-CG2 3.43Å; F286-T290 PolarHBondContact O-N 3.07Å; F286-T290 PolarHBondContact O-OG1 3.04Å; F286-F321 HydrophobicContact CD2-CB 4.49Å; F286-F321 HydrophobicContact CE2-CB 4.12Å; F286-V323 HydrophobicContact CD1-CG2 3.84Å; F286-V323 HydrophobicContact CD2-CG2 4.08Å; F286-V323 HydrophobicContact CE1-CG2 3.42Å; F286-V323 VanDerWaalsContact CE1-CG2 3.42Å; F286-V323 HydrophobicContact CE2-CB 4.48Å; F286-V323 HydrophobicContact CE2-CG2 3.69Å; F286-V323 HydrophobicContact CG-CG2 4.15Å; F286-V323 HydrophobicContact CZ-CB 4.5Å; F286-V323 HydrophobicContact CZ-CG2 3.33Å
287	V	80.8	Confident	67.8	Low	60 Å²	60	63.2 Å²	63.2	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-48.9	178.1	168.5	0	0	0	0	110.8	H283 V284 I285 L289 T290 E291	H283-V287 VanDerWaalsContact O-CB 3.28Å; H283-V287 WeakPolarHBondContact O-CB 3.39Å; H283-V287 WeakPolarHBondContact O-CG2 3.47Å; H283-V287 PolarHBondContact O-N 2.95Å; V284-V287 PolarHBondContact O-N 3.24Å; I285-V287 PolarHBondContact O-N 2.82Å; V287-L289 VanDerWaalsContact C-N 3.26Å; V287-L289 PolarHBondContact O-N 2.83Å; V287-T290 WeakPolarHBondContact CA-OG1 3.42Å; V287-T290 PolarHBondContact O-N 2.91Å; V287-T290 VanDerWaalsContact O-N 3.13Å; V287-T290 PolarHBondContact O-OG1 3.3Å; V287-T290 VanDerWaalsContact O-OG1 3.13Å; V287-E291 HydrophobicContact CG1-CG 4Å; V287-E291 WeakPolarHBondContact CG1-OE1 3.31Å; V287-E291 WeakPolarHBondContact O-CB 3.49Å; V287-E291 WeakPolarHBondContact O-CG 3.34Å; V287-E291 PolarHBondContact O-N 2.69Å
288	V	82.6	Confident	69.2	Low	2 Å²	2	68.2 Å²	68.2	1%	0.012	35%	0.351	C	S	.	.	H	α-helix	trans	-56.8	-40.4	178.2	166.1	0	0	0	0	112.2	I23 F43 I48 R49 P50 I52 V284 I285	I23-V288 HydrophobicContact CD1-CB 4.41Å; I23-V288 HydrophobicContact CD1-CG1 4.38Å; I23-V288 HydrophobicContact CD1-CG2 4.15Å; F43-V288 HydrophobicContact CD2-CG1 3.86Å; F43-V288 HydrophobicContact CE2-CG1 3.69Å; I48-V288 HydrophobicContact CG2-CB 4.46Å; I48-V288 HydrophobicContact CG2-CG1 4.01Å; I48-V288 HydrophobicContact CG2-CG2 4.47Å; R49-V288 WeakPolarHBondContact O-CG2 3.44Å; P50-V288 VanDerWaalsContact CD-CG2 3.44Å; P50-V288 HydrophobicContact CG-CG2 4.03Å; I52-V288 HydrophobicContact CD1-CG1 4.08Å; I52-V288 HydrophobicContact CG1-CG1 4.41Å; V284-V288 WeakPolarHBondContact O-CB 3.26Å; V284-V288 VanDerWaalsContact O-CG2 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.48Å; V284-V288 PolarHBondContact O-N 2.85Å; I285-V288 PolarHBondContact O-N 2.85Å
289	L	80.4	Confident	71.1	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-74	-31.4	-179.9	-69.4	169.9	0	0	0	113.4	W25 A95 L273 I285 F286 V287 F314 F321	W25-L289 HydrophobicContact CH2-CD1 4.48Å; W25-L289 HydrophobicContact CH2-CD2 4Å; W25-L289 HydrophobicContact CZ3-CD2 4.08Å; A95-L289 HydrophobicContact CB-CD1 4.49Å; L273-L289 HydrophobicContact CD2-CD1 3.38Å; L273-L289 HydrophobicContact CD2-CD2 4.46Å; I285-L289 HydrophobicContact CG2-CD1 3.72Å; I285-L289 HydrophobicContact CG2-CG 4.39Å; I285-L289 WeakPolarHBondContact O-CB 3.41Å; I285-L289 WeakPolarHBondContact O-CD1 3.42Å; I285-L289 WeakPolarHBondContact O-CG 3.5Å; I285-L289 PolarHBondContact O-N 2.93Å; F286-L289 PolarHBondContact O-N 2.64Å; V287-L289 VanDerWaalsContact C-N 3.26Å; V287-L289 PolarHBondContact O-N 2.83Å; L289-F314 HydrophobicContact CD2-CE1 4.45Å; L289-F314 HydrophobicContact CD2-CZ 3.96Å; L289-F321 HydrophobicContact CB-CD2 3.7Å; L289-F321 HydrophobicContact CB-CE2 3.73Å; L289-F321 HydrophobicContact CD1-CE2 4.4Å; L289-F321 HydrophobicContact CD2-CE2 4.15Å; L289-F321 HydrophobicContact CD2-CZ 4.45Å; L289-F321 HydrophobicContact CG-CE2 4.32Å
290	T	80.1	Confident	73	Confident	28 Å²	28	62.9 Å²	62.9	17%	0.172	33%	0.331	C	S	.	.	H	α-helix	trans	-86.1	-37.7	-178.7	45.6	0	0	0	0	112.7	F286 V287 Q292 I293 E294 F321	F286-T290 HydrophobicContact CD1-CG2 4.44Å; F286-T290 HydrophobicContact CD2-CG2 4.27Å; F286-T290 HydrophobicContact CE1-CG2 3.94Å; F286-T290 HydrophobicContact CE2-CG2 3.74Å; F286-T290 HydrophobicContact CZ-CG2 3.56Å; F286-T290 WeakPolarHBondContact O-CB 3.47Å; F286-T290 WeakPolarHBondContact O-CG2 3.43Å; F286-T290 PolarHBondContact O-N 3.07Å; F286-T290 PolarHBondContact O-OG1 3.04Å; V287-T290 WeakPolarHBondContact CA-OG1 3.42Å; V287-T290 PolarHBondContact O-N 2.91Å; V287-T290 VanDerWaalsContact O-N 3.13Å; V287-T290 PolarHBondContact O-OG1 3.3Å; V287-T290 VanDerWaalsContact O-OG1 3.13Å; T290-Q292 PolarHBondContact O-N 3.17Å; T290-Q292 VanDerWaalsContact O-N 3.16Å; T290-I293 WeakPolarHBondContact O-CB 3.34Å; T290-I293 PolarHBondContact O-N 3.05Å; T290-E294 PolarHBondContact O-N 2.89Å; T290-F321 HydrophobicContact CG2-CB 4.27Å
291	E	81.1	Confident	74.5	Confident	81 Å²	81	62.2 Å²	62.2	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-54.1	-36.1	174	-79.7	-175.3	173.6	0	0	111.5	I48 V287 E294 S295	I48-E291 HydrophobicContact CD1-CB 4.41Å; I48-E291 HydrophobicContact CG1-CB 4.34Å; V287-E291 HydrophobicContact CG1-CG 4Å; V287-E291 WeakPolarHBondContact CG1-OE1 3.31Å; V287-E291 WeakPolarHBondContact O-CB 3.49Å; V287-E291 WeakPolarHBondContact O-CG 3.34Å; V287-E291 PolarHBondContact O-N 2.69Å; E291-E294 PolarHBondContact O-N 3.47Å; E291-S295 WeakPolarHBondContact O-CB 2.8Å; E291-S295 PolarHBondContact O-N 2.94Å
292	Q	73	Confident	75.8	Confident	7 Å²	7	59.9 Å²	59.9	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-65.8	-39.4	176.3	179.2	69.5	-28.2	0	0	113.9	F43 I48 T290 E294 S295 S297 M301	F43-Q292 HydrophobicContact CD1-CB 4.33Å; F43-Q292 HydrophobicContact CD1-CG 3.95Å; F43-Q292 HydrophobicContact CE1-CB 3.7Å; F43-Q292 VanDerWaalsContact CE1-CD 3.42Å; F43-Q292 HydrophobicContact CE1-CG 3.29Å; F43-Q292 HydrophobicContact CE2-CB 4.24Å; F43-Q292 HydrophobicContact CZ-CB 3.63Å; F43-Q292 HydrophobicContact CZ-CG 3.73Å; I48-Q292 HydrophobicContact CD1-CB 3.76Å; I48-Q292 HydrophobicContact CD1-CG 4.46Å; T290-Q292 PolarHBondContact O-N 3.17Å; T290-Q292 VanDerWaalsContact O-N 3.16Å; Q292-E294 PolarHBondContact O-N 2.9Å; Q292-S295 PolarHBondContact O-N 3.04Å; Q292-S295 PolarHBondContact O-OG 3.23Å; Q292-S295 VanDerWaalsContact O-OG 3.12Å; Q292-S295 PolarHBondContact OE1-OG 3Å; Q292-S297 VanDerWaalsContact CD-OG 3.3Å; Q292-S297 VanDerWaalsContact NE2-CB 3.33Å; Q292-S297 PolarHBondContact NE2-OG 2.9Å; Q292-M301 HydrophobicContact CG-SD 4.43Å
293	I	71.3	Confident	76.9	Confident	73 Å²	73	60.1 Å²	60.1	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-32.5	178.7	-61	174.6	0	0	0	109.3	T290 M301 F302 F321	T290-I293 WeakPolarHBondContact O-CB 3.34Å; T290-I293 PolarHBondContact O-N 3.05Å; I293-M301 HydrophobicContact CD1-CE 3.81Å; I293-M301 HydrophobicContact CG1-CE 3.46Å; I293-M301 VanDerWaalsContact CG1-CE 3.46Å; I293-F302 HydrophobicContact CD1-CE2 4.23Å; I293-F302 HydrophobicContact CD1-CZ 3.85Å; I293-F302 HydrophobicContact CG1-CZ 4.44Å; I293-F321 HydrophobicContact CD1-CD2 3.85Å; I293-F321 HydrophobicContact CD1-CE2 4.29Å
294	E	68	Low	77.6	Confident	158 Å²	158	54 Å²	54	74%	0.738	29%	0.285	S	S	*	.	H	α-helix	trans	-85.7	-27.5	-180	-61.9	-176.8	172.2	0	0	113.4	T290 E291 Q292 K296	T290-E294 PolarHBondContact O-N 2.89Å; E291-E294 PolarHBondContact O-N 3.47Å; Q292-E294 PolarHBondContact O-N 2.9Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 3.16Å; E294-K296 VanDerWaalsContact O-N 3.12Å
295	S	64.4	Low	78.1	Confident	41 Å²	41	55.7 Å²	55.7	29%	0.287	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	0.6	-168.7	74.4	0	0	0	0	116.2	E291 Q292 S297	E291-S295 WeakPolarHBondContact O-CB 2.8Å; E291-S295 PolarHBondContact O-N 2.94Å; Q292-S295 PolarHBondContact O-N 3.04Å; Q292-S295 PolarHBondContact O-OG 3.23Å; Q292-S295 VanDerWaalsContact O-OG 3.12Å; Q292-S295 PolarHBondContact OE1-OG 3Å; S295-S297 PolarHBondContact O-N 3.47Å
296	K	60.9	Low	78.7	Confident	195 Å²	195	60.8 Å²	60.8	85%	0.848	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	35.3	-175.5	-61.5	-174.1	179	179	0	113.8	E294	E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 3.16Å; E294-K296 VanDerWaalsContact O-N 3.12Å
297	S	67.3	Low	79.1	Confident	26 Å²	26	61 Å²	61	18%	0.182	34%	0.34	C	S	.	.			trans	-64.2	150.3	171.8	93	0	0	0	0	111.1	Q292 S295 F299	Q292-S297 VanDerWaalsContact CD-OG 3.3Å; Q292-S297 VanDerWaalsContact NE2-CB 3.33Å; Q292-S297 PolarHBondContact NE2-OG 2.9Å; S295-S297 PolarHBondContact O-N 3.47Å; S297-F299 PolarHBondContact O-N 2.81Å; S297-F299 VanDerWaalsContact O-N 3.11Å; S297-F299 PolarHBondContact OG-N 3.12Å; S297-F299 VanDerWaalsContact OG-N 3.14Å
298	D	76.1	Confident	78.7	Confident	178 Å²	178	62 Å²	62	95%	0.952	36%	0.363	S	S	*	.	S	Bend	trans	-71.2	2.3	173.2	-64	-35.9	0	0	0	113.7
299	F	87.2	Confident	77.9	Confident	34 Å²	34	63.5 Å²	63.5	15%	0.149	38%	0.378	C	S	.	.			trans	-91.7	115.5	-178.8	-177.2	-102.4	0	0	0	111.9	K35 D38 M39 A42 S297 M301	K35-F299 HydrophobicContact CG-CZ 4.18Å; D38-F299 HydrophobicContact CB-CE2 3.9Å; M39-F299 HydrophobicContact CB-CD1 4.33Å; M39-F299 HydrophobicContact CB-CE1 3.5Å; M39-F299 VanDerWaalsContact CB-CE1 3.5Å; M39-F299 HydrophobicContact CB-CE2 4.41Å; M39-F299 HydrophobicContact CB-CZ 3.56Å; M39-F299 HydrophobicContact CG-CD1 4.25Å; M39-F299 HydrophobicContact CG-CE1 3.61Å; M39-F299 HydrophobicContact CG-CZ 4.21Å; M39-F299 HydrophobicContact SD-CE1 4.37Å; A42-F299 HydrophobicContact CB-CB 3.47Å; A42-F299 VanDerWaalsContact CB-CB 3.47Å; A42-F299 HydrophobicContact CB-CD1 4.45Å; A42-F299 HydrophobicContact CB-CD2 4.33Å; A42-F299 HydrophobicContact CB-CG 3.85Å; S297-F299 PolarHBondContact O-N 2.81Å; S297-F299 VanDerWaalsContact O-N 3.11Å; S297-F299 PolarHBondContact OG-N 3.12Å; S297-F299 VanDerWaalsContact OG-N 3.14Å; F299-M301 HydrophobicContact CD1-CB 4.21Å; F299-M301 HydrophobicContact CE1-CB 4.16Å; F299-M301 HydrophobicContact CE1-CG 4.46Å; F299-M301 PolarHBondContact O-N 2.93Å
300	S	86.9	Confident	77.5	Confident	78 Å²	78	65.9 Å²	65.9	55%	0.545	40%	0.403	S	S	.	.			trans	-80.2	82.7	177	178.8	0	0	0	0	111.6	F302 S303	S300-F302 VanDerWaalsContact C-N 3.32Å; S300-F302 PolarHBondContact O-N 2.93Å; S300-S303 PolarHBondContact O-N 3.5Å; S300-S303 VanDerWaalsContact O-N 3.11Å; S300-S303 WeakPolarHBondContact OG-CB 2.88Å
301	M	85.1	Confident	77.1	Confident	9 Å²	9	69 Å²	69	4%	0.044	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-43.8	-173.7	-172.8	166.8	62.3	0	0	114.9	K35 M39 F43 Q292 I293 F299 F314 F321	K35-M301 WeakPolarHBondContact CE-O 3.39Å; K35-M301 PolarHBondContact NZ-O 2.9Å; K35-M301 VanDerWaalsContact NZ-O 3.11Å; M39-M301 HydrophobicContact SD-CG 4.41Å; F43-M301 HydrophobicContact CZ-SD 4.16Å; Q292-M301 HydrophobicContact CG-SD 4.43Å; I293-M301 HydrophobicContact CD1-CE 3.81Å; I293-M301 HydrophobicContact CG1-CE 3.46Å; I293-M301 VanDerWaalsContact CG1-CE 3.46Å; F299-M301 HydrophobicContact CD1-CB 4.21Å; F299-M301 HydrophobicContact CE1-CB 4.16Å; F299-M301 HydrophobicContact CE1-CG 4.46Å; F299-M301 PolarHBondContact O-N 2.93Å; M301-F314 HydrophobicContact CG-CD2 3.67Å; M301-F314 HydrophobicContact CG-CE2 3.5Å; M301-F314 VanDerWaalsContact CG-CE2 3.5Å; M301-F314 HydrophobicContact SD-CE2 3.99Å; M301-F321 HydrophobicContact CE-CD2 4.26Å; M301-F321 HydrophobicContact CE-CE2 3.39Å; M301-F321 HydrophobicContact CE-CZ 4.1Å; M301-F321 HydrophobicContact SD-CE2 4.08Å
302	F	85.6	Confident	77.1	Confident	32 Å²	32	66 Å²	66	14%	0.14	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-23.6	-177	-55.5	-54.1	0	0	0	113.5	I293 S300 F314 D316 T318 F321	I293-F302 HydrophobicContact CD1-CE2 4.23Å; I293-F302 HydrophobicContact CD1-CZ 3.85Å; I293-F302 HydrophobicContact CG1-CZ 4.44Å; S300-F302 VanDerWaalsContact C-N 3.32Å; S300-F302 PolarHBondContact O-N 2.93Å; F302-F314 HydrophobicContact CD1-CB 3.97Å; F302-F314 HydrophobicContact CD1-CG 4.4Å; F302-F314 HydrophobicContact CE1-CB 4.48Å; F302-D316 VanDerWaalsContact O-CA 3.29Å; F302-D316 WeakPolarHBondContact O-CA 3.1Å; F302-T318 HydrophobicContact CD1-CG2 3.72Å; F302-T318 WeakPolarHBondContact CD2-O 3.5Å; F302-T318 HydrophobicContact CE1-CG2 3.33Å; F302-T318 HydrophobicContact CE2-CG2 4.35Å; F302-T318 HydrophobicContact CG-CG2 4.38Å; F302-T318 VanDerWaalsContact CG-O 3.27Å; F302-T318 WeakPolarHBondContact CG-O 3.17Å; F302-T318 HydrophobicContact CZ-CG2 3.69Å; F302-F321 HydrophobicContact CE1-CE1 4.13Å; F302-F321 AromaticContact CE1-CE2 3.94Å; F302-F321 HydrophobicContact CE1-CE2 3.94Å; F302-F321 AromaticContact CE1-CZ 3.61Å; F302-F321 HydrophobicContact CE1-CZ 3.61Å; F302-F321 HydrophobicContact CZ-CE2 4.08Å; F302-F321 HydrophobicContact CZ-CZ 4.19Å
303	S	85.4	Confident	77.6	Confident	45 Å²	45	65.9 Å²	65.9	32%	0.315	40%	0.404	S	S	.	.			trans	-79.5	133	-176.7	-176.7	0	0	0	0	112.3	K35 S300 A305	K35-S303 WeakPolarHBondContact CE-O 2.81Å; K35-S303 PolarHBondContact NZ-O 2.93Å; K35-S303 VanDerWaalsContact NZ-O 3.12Å; S300-S303 PolarHBondContact O-N 3.5Å; S300-S303 VanDerWaalsContact O-N 3.11Å; S300-S303 WeakPolarHBondContact OG-CB 2.88Å; S303-A305 PolarHBondContact OG-N 3.39Å
304	S	84.4	Confident	78.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	39%	0.387	C	S	.	.			trans	-105.4	-0.6	174.7	-53.3	0	0	0	0	113.8	K35 S306 Y307 G309 N311 L312 D316	K35-S304 PolarHBondContact NZ-OG 3Å; K35-S304 VanDerWaalsContact NZ-OG 3.14Å; S304-S306 VanDerWaalsContact C-N 3.27Å; S304-S306 PolarHBondContact O-N 3.46Å; S304-S306 VanDerWaalsContact O-N 3.12Å; S304-Y307 PolarHBondContact O-N 3.07Å; S304-G309 CarbonylContact C-O 3.58Å; S304-G309 WeakPolarHBondContact CB-O 3.23Å; S304-N311 PolarHBondContact OG-N 2.79Å; S304-L312 PolarHBondContact OG-N 2.78Å; S304-D316 WeakPolarHBondContact CB-OD1 3.46Å; S304-D316 PolarHBondContact N-OD1 3.45Å; S304-D316 PolarHBondContact OG-OD1 3.4Å
305	A	85.4	Confident	78.6	Confident	82 Å²	82	55.3 Å²	55.3	68%	0.678	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-54.7	-37.3	-172.2	0	0	0	0	0	114.2	S303 Y307	S303-A305 PolarHBondContact OG-N 3.39Å; A305-Y307 PolarHBondContact O-N 3.04Å
306	S	87.9	Confident	79.2	Confident	108 Å²	108	56.5 Å²	56.5	76%	0.755	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-74.1	-6	-178.5	-53.7	0	0	0	0	114.6	S304	S304-S306 VanDerWaalsContact C-N 3.27Å; S304-S306 PolarHBondContact O-N 3.46Å; S304-S306 VanDerWaalsContact O-N 3.12Å
307	Y	87	Confident	79.8	Confident	44 Å²	44	52.5 Å²	52.5	17%	0.173	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-117.1	5.2	-171.4	-60	-84.4	0	0	0	113.3	K34 K35 D38 S304 A305 G309 L312	K34-Y307 HydrophobicContact CB-CD1 4.4Å; K34-Y307 HydrophobicContact CB-CE1 4.49Å; K34-Y307 HydrophobicContact CD-CD1 4.39Å; K34-Y307 HydrophobicContact CD-CE1 4.47Å; K34-Y307 HydrophobicContact CG-CD1 4.26Å; K34-Y307 HydrophobicContact CG-CE1 4.07Å; K35-Y307 HydrophobicContact CB-CD1 4.05Å; K35-Y307 HydrophobicContact CB-CD2 4.16Å; K35-Y307 HydrophobicContact CB-CE1 3.94Å; K35-Y307 HydrophobicContact CB-CE2 4.05Å; K35-Y307 HydrophobicContact CB-CG 4.17Å; K35-Y307 HydrophobicContact CD-CD2 4.13Å; K35-Y307 HydrophobicContact CD-CE2 4.18Å; K35-Y307 HydrophobicContact CG-CD2 4.07Å; K35-Y307 HydrophobicContact CG-CE1 4.47Å; K35-Y307 HydrophobicContact CG-CE2 3.73Å; D38-Y307 WeakPolarHBondContact CB-OH 3.13Å; D38-Y307 WeakPolarHBondContact OD2-CE1 3.27Å; D38-Y307 PolarHBondContact OD2-OH 2.97Å; S304-Y307 PolarHBondContact O-N 3.07Å; A305-Y307 PolarHBondContact O-N 3.04Å; Y307-G309 VanDerWaalsContact C-N 3.29Å; Y307-G309 PolarHBondContact O-N 2.86Å; Y307-L312 VanDerWaalsContact CB-CD1 3.43Å; Y307-L312 HydrophobicContact CG-CD1 4.29Å
308	G	72.1	Confident	80.2	Confident	81 Å²	81	51.5 Å²	51.5	84%	0.835	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	18.7	175.4	0	0	0	0	0	115
309	G	66.4	Low	80.4	Confident	32 Å²	32	45.5 Å²	45.5	33%	0.33	31%	0.307	S	S	.	.	S	Bend	trans	-140.5	172.2	176.8	0	0	0	0	0	112	S304 Y307	S304-G309 CarbonylContact C-O 3.58Å; S304-G309 WeakPolarHBondContact CB-O 3.23Å; Y307-G309 VanDerWaalsContact C-N 3.29Å; Y307-G309 PolarHBondContact O-N 2.86Å
310	G	71.9	Confident	80	Confident	51 Å²	51	48.1 Å²	48.1	53%	0.526	32%	0.319	S	S	.	.	S	Bend	trans	-116.9	142.6	174.1	0	0	0	0	0	111.2	D316	G310-D316 WeakPolarHBondContact CA-OD2 2.91Å
311	N	71.6	Confident	79.6	Confident	95 Å²	95	45 Å²	45	51%	0.508	30%	0.295	S	S	.	.	S	Bend	trans	56	49	-177.6	-51.2	-55	0	0	0	115	S304 F314 S315 D316	S304-N311 PolarHBondContact OG-N 2.79Å; N311-F314 CarbonylContact C-O 3.5Å; N311-F314 VanDerWaalsContact C-O 3.22Å; N311-F314 VanDerWaalsContact CA-O 3.25Å; N311-F314 WeakPolarHBondContact CA-O 3.47Å; N311-S315 VanDerWaalsContact OD1-CA 3.23Å; N311-S315 WeakPolarHBondContact OD1-CA 3.27Å; N311-S315 PolarHBondContact OD1-OG 2.87Å; N311-S315 VanDerWaalsContact OD1-OG 3.05Å; N311-D316 PolarHBondContact N-OD2 2.71Å; N311-D316 PolarHBondContact OD1-N 3.21Å
312	L	81.8	Confident	79.2	Confident	18 Å²	18	47.9 Å²	47.9	9%	0.094	31%	0.309	C	S	.	.	S	Bend	trans	-83.4	129.1	175.5	-61.2	172.1	0	0	0	110.6	P31 E32 K35 S304 Y307 F314	P31-L312 HydrophobicContact CB-CD1 3.64Å; P31-L312 HydrophobicContact CB-CD2 4.02Å; E32-L312 HydrophobicContact CB-CD2 4.3Å; K35-L312 HydrophobicContact CD-CB 3.73Å; K35-L312 WeakPolarHBondContact CD-O 3.47Å; K35-L312 WeakPolarHBondContact CE-O 3.42Å; K35-L312 PolarHBondContact NZ-O 3.35Å; S304-L312 PolarHBondContact OG-N 2.78Å; Y307-L312 VanDerWaalsContact CB-CD1 3.43Å; Y307-L312 HydrophobicContact CG-CD1 4.29Å; L312-F314 PolarHBondContact O-N 3.36Å
313	L	82.6	Confident	78.6	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	33%	0.326	C	S	.	.	S	Bend	trans	62.6	-53.8	-168.8	-56.3	171.6	0	0	0	114.3	T27 E32 K35 C36 M39 S76	T27-L313 HydrophobicContact CG2-CD2 3.98Å; E32-L313 HydrophobicContact CG-CD2 3.39Å; E32-L313 HydrophobicContact CG-CG 3.79Å; E32-L313 WeakPolarHBondContact OE1-CA 3.23Å; E32-L313 PolarHBondContact OE1-N 3.04Å; K35-L313 HydrophobicContact CB-CD1 4.16Å; K35-L313 HydrophobicContact CD-CD1 4.08Å; K35-L313 HydrophobicContact CD-CG 4.35Å; K35-L313 HydrophobicContact CG-CD1 3.83Å; C36-L313 HydrophobicContact CB-CD1 4.1Å; C36-L313 HydrophobicContact CB-CD2 4.06Å; M39-L313 HydrophobicContact CE-CD1 4.1Å; M39-L313 HydrophobicContact SD-CD1 4.2Å; S76-L313 WeakPolarHBondContact CB-O 3.45Å; S76-L313 PolarHBondContact OG-O 3.27Å
314	F	83	Confident	77.9	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.009	31%	0.314	C	S	.	.	S	Bend	trans	-132.5	159.6	-177	-47.8	-63.6	0	0	0	108.5	W25 M39 E97 L273 L289 M301 F302 N311 L312 F321	W25-F314 AromaticContact CH2-CE1 3.67Å; W25-F314 HydrophobicContact CH2-CE1 3.67Å; W25-F314 AromaticContact CH2-CZ 3.67Å; W25-F314 HydrophobicContact CH2-CZ 3.67Å; W25-F314 AromaticContact CZ2-CE1 3.65Å; W25-F314 HydrophobicContact CZ2-CE1 3.65Å; W25-F314 AromaticContact CZ2-CZ 3.74Å; W25-F314 HydrophobicContact CZ2-CZ 3.74Å; M39-F314 HydrophobicContact SD-CE2 3.7Å; M39-F314 HydrophobicContact SD-CZ 4.12Å; E97-F314 WeakPolarHBondContact OE1-CB 3.36Å; L273-F314 HydrophobicContact CD1-CD1 3.52Å; L273-F314 HydrophobicContact CD1-CE1 3.3Å; L273-F314 HydrophobicContact CD2-CD1 3.88Å; L273-F314 HydrophobicContact CD2-CE1 3.35Å; L273-F314 HydrophobicContact CD2-CZ 4.36Å; L273-F314 HydrophobicContact CG-CD1 4.3Å; L273-F314 HydrophobicContact CG-CE1 3.92Å; L289-F314 HydrophobicContact CD2-CE1 4.45Å; L289-F314 HydrophobicContact CD2-CZ 3.96Å; M301-F314 HydrophobicContact CG-CD2 3.67Å; M301-F314 HydrophobicContact CG-CE2 3.5Å; M301-F314 VanDerWaalsContact CG-CE2 3.5Å; M301-F314 HydrophobicContact SD-CE2 3.99Å; F302-F314 HydrophobicContact CD1-CB 3.97Å; F302-F314 HydrophobicContact CD1-CG 4.4Å; F302-F314 HydrophobicContact CE1-CB 4.48Å; N311-F314 CarbonylContact C-O 3.5Å; N311-F314 VanDerWaalsContact C-O 3.22Å; N311-F314 VanDerWaalsContact CA-O 3.25Å; N311-F314 WeakPolarHBondContact CA-O 3.47Å; L312-F314 PolarHBondContact O-N 3.36Å; F314-F321 HydrophobicContact CD1-CE1 4.01Å; F314-F321 AromaticContact CD1-CZ 3.74Å; F314-F321 HydrophobicContact CD1-CZ 3.74Å; F314-F321 HydrophobicContact CE1-CE1 4.22Å; F314-F321 AromaticContact CE1-CZ 3.73Å; F314-F321 HydrophobicContact CE1-CZ 3.73Å; F314-F321 HydrophobicContact CG-CZ 4.19Å; F314-F321 HydrophobicContact CZ-CZ 4.15Å
315	S	78	Confident	77	Confident	8 Å²	8	58.4 Å²	58.4	6%	0.056	36%	0.36	C	S	.	.			trans	-70.7	141.2	174.2	177.5	0	0	0	0	112	E97 N271 N311 L317 T318	E97-S315 PolarHBondContact OE1-N 3.25Å; N271-S315 VanDerWaalsContact CG-CB 3.42Å; N271-S315 WeakPolarHBondContact ND2-CB 3.31Å; N271-S315 PolarHBondContact ND2-OG 3.11Å; N311-S315 VanDerWaalsContact OD1-CA 3.23Å; N311-S315 WeakPolarHBondContact OD1-CA 3.27Å; N311-S315 PolarHBondContact OD1-OG 2.87Å; N311-S315 VanDerWaalsContact OD1-OG 3.05Å; S315-L317 PolarHBondContact O-N 2.75Å; S315-L317 VanDerWaalsContact O-N 3.1Å; S315-L317 PolarHBondContact OG-N 3.15Å; S315-T318 WeakPolarHBondContact O-CB 3.47Å; S315-T318 PolarHBondContact O-N 2.84Å; S315-T318 VanDerWaalsContact O-N 3.08Å; S315-T318 PolarHBondContact O-OG1 2.75Å
316	D	75.7	Confident	76.1	Confident	65 Å²	65	55.1 Å²	55.1	35%	0.348	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.1	176.7	-60	-35	0	0	0	113	F302 S304 G310 N311	F302-D316 VanDerWaalsContact O-CA 3.29Å; F302-D316 WeakPolarHBondContact O-CA 3.1Å; S304-D316 WeakPolarHBondContact CB-OD1 3.46Å; S304-D316 PolarHBondContact N-OD1 3.45Å; S304-D316 PolarHBondContact OG-OD1 3.4Å; G310-D316 WeakPolarHBondContact CA-OD2 2.91Å; N311-D316 PolarHBondContact N-OD2 2.71Å; N311-D316 PolarHBondContact OD1-N 3.21Å
317	L	75	Confident	75.3	Confident	111 Å²	111	53.1 Å²	53.1	58%	0.581	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.6	178.9	-62.8	178.1	0	0	0	113.2	K99 S315	K99-L317 HydrophobicContact CD-CB 3.85Å; K99-L317 VanDerWaalsContact CE-CB 3.43Å; K99-L317 WeakPolarHBondContact CG-O 3.11Å; K99-L317 VanDerWaalsContact NZ-CD1 3.29Å; S315-L317 PolarHBondContact O-N 2.75Å; S315-L317 VanDerWaalsContact O-N 3.1Å; S315-L317 PolarHBondContact OG-N 3.15Å
318	T	76.1	Confident	75	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.037	33%	0.327	C	S	.	.			trans	-70.8	138.1	-177.4	-61.1	0	0	0	0	110.5	E97 N271 F302 S315 K320	E97-T318 HydrophobicContact CB-CG2 3.79Å; E97-T318 HydrophobicContact CG-CG2 3.85Å; E97-T318 WeakPolarHBondContact OE1-CB 2.85Å; E97-T318 PolarHBondContact OE1-OG1 2.85Å; N271-T318 PolarHBondContact ND2-OG1 3.34Å; F302-T318 HydrophobicContact CD1-CG2 3.72Å; F302-T318 WeakPolarHBondContact CD2-O 3.5Å; F302-T318 HydrophobicContact CE1-CG2 3.33Å; F302-T318 HydrophobicContact CE2-CG2 4.35Å; F302-T318 HydrophobicContact CG-CG2 4.38Å; F302-T318 VanDerWaalsContact CG-O 3.27Å; F302-T318 WeakPolarHBondContact CG-O 3.17Å; F302-T318 HydrophobicContact CZ-CG2 3.69Å; S315-T318 WeakPolarHBondContact O-CB 3.47Å; S315-T318 PolarHBondContact O-N 2.84Å; S315-T318 VanDerWaalsContact O-N 3.08Å; S315-T318 PolarHBondContact O-OG1 2.75Å; T318-K320 WeakPolarHBondContact CG2-O 3.11Å
319	T	78.3	Confident	75.4	Confident	52 Å²	52	51.7 Å²	51.7	32%	0.319	29%	0.29	S	S	.	.			trans	-115.3	-26.2	177.6	57.3	0	0	0	0	113	S98 K99 N100	S98-T319 PolarHBondContact O-N 2.83Å; S98-T319 PolarHBondContact O-OG1 3.12Å; S98-T319 VanDerWaalsContact O-OG1 3.09Å; K99-T319 VanDerWaalsContact C-OG1 3.31Å; K99-T319 VanDerWaalsContact CA-OG1 3.31Å; K99-T319 WeakPolarHBondContact CA-OG1 3.13Å; N100-T319 HydrophobicContact CB-CG2 4.17Å; N100-T319 PolarHBondContact N-OG1 2.94Å
320	K	79.4	Confident	76.1	Confident	89 Å²	89	51.9 Å²	51.9	39%	0.387	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	164.8	178.3	65.3	179.1	-179.2	155.9	0	111.3	S98 T318 E322	S98-K320 PolarHBondContact N-O 3.15Å; S98-K320 PolarHBondContact O-N 3.15Å; S98-K320 VanDerWaalsContact OG-CE 3.27Å; S98-K320 WeakPolarHBondContact OG-CE 3.42Å; T318-K320 WeakPolarHBondContact CG2-O 3.11Å; K320-E322 WeakPolarHBondContact CE-OE1 3.07Å; K320-E322 IonicContact NZ-OE1 3.51Å; K320-E322 PolarHBondContact NZ-OE1 2.69Å
321	F	79.1	Confident	76.5	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145	165.5	-62.2	-64.6	0	0	0	111	S96 E97 L273 F286 L289 T290 I293 M301 F302 F314	S96-F321 CarbonylContact O-C 3.56Å; S96-F321 VanDerWaalsContact O-CA 3.27Å; S96-F321 WeakPolarHBondContact O-CA 3.19Å; E97-F321 HydrophobicContact CG-CD1 4.01Å; E97-F321 HydrophobicContact CG-CE1 3.65Å; L273-F321 HydrophobicContact CD2-CD1 3.86Å; L273-F321 HydrophobicContact CD2-CE1 3.28Å; L273-F321 HydrophobicContact CD2-CE2 4.48Å; L273-F321 HydrophobicContact CD2-CZ 3.64Å; L273-F321 HydrophobicContact CG-CE1 4.43Å; F286-F321 HydrophobicContact CD2-CB 4.49Å; F286-F321 HydrophobicContact CE2-CB 4.12Å; L289-F321 HydrophobicContact CB-CD2 3.7Å; L289-F321 HydrophobicContact CB-CE2 3.73Å; L289-F321 HydrophobicContact CD1-CE2 4.4Å; L289-F321 HydrophobicContact CD2-CE2 4.15Å; L289-F321 HydrophobicContact CD2-CZ 4.45Å; L289-F321 HydrophobicContact CG-CE2 4.32Å; T290-F321 HydrophobicContact CG2-CB 4.27Å; I293-F321 HydrophobicContact CD1-CD2 3.85Å; I293-F321 HydrophobicContact CD1-CE2 4.29Å; M301-F321 HydrophobicContact CE-CD2 4.26Å; M301-F321 HydrophobicContact CE-CE2 3.39Å; M301-F321 HydrophobicContact CE-CZ 4.1Å; M301-F321 HydrophobicContact SD-CE2 4.08Å; F302-F321 HydrophobicContact CE1-CE1 4.13Å; F302-F321 AromaticContact CE1-CE2 3.94Å; F302-F321 HydrophobicContact CE1-CE2 3.94Å; F302-F321 AromaticContact CE1-CZ 3.61Å; F302-F321 HydrophobicContact CE1-CZ 3.61Å; F302-F321 HydrophobicContact CZ-CE2 4.08Å; F302-F321 HydrophobicContact CZ-CZ 4.19Å; F314-F321 HydrophobicContact CD1-CE1 4.01Å; F314-F321 AromaticContact CD1-CZ 3.74Å; F314-F321 HydrophobicContact CD1-CZ 3.74Å; F314-F321 HydrophobicContact CE1-CE1 4.22Å; F314-F321 AromaticContact CE1-CZ 3.73Å; F314-F321 HydrophobicContact CE1-CZ 3.73Å; F314-F321 HydrophobicContact CG-CZ 4.19Å; F314-F321 HydrophobicContact CZ-CZ 4.15Å
322	E	77.1	Confident	76.8	Confident	70 Å²	70	55 Å²	55	33%	0.327	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	144.6	174.2	-69.4	-179.1	171.3	0	0	110.3	S96 S98 K320	S96-E322 PolarHBondContact N-O 3.13Å; S96-E322 PolarHBondContact O-N 3.24Å; S98-E322 PolarHBondContact OG-OE1 3.28Å; K320-E322 WeakPolarHBondContact CE-OE1 3.07Å; K320-E322 IonicContact NZ-OE1 3.51Å; K320-E322 PolarHBondContact NZ-OE1 2.69Å
323	V	73.3	Confident	76.5	Confident	83 Å²	83	54.4 Å²	54.4	50%	0.503	27%	0.27	S	S	.	.			trans	-65.4	138	171.8	-179.2	0	0	0	0	108.1	F286 E325	F286-V323 HydrophobicContact CD1-CG2 3.84Å; F286-V323 HydrophobicContact CD2-CG2 4.08Å; F286-V323 HydrophobicContact CE1-CG2 3.42Å; F286-V323 VanDerWaalsContact CE1-CG2 3.42Å; F286-V323 HydrophobicContact CE2-CB 4.48Å; F286-V323 HydrophobicContact CE2-CG2 3.69Å; F286-V323 HydrophobicContact CG-CG2 4.15Å; F286-V323 HydrophobicContact CZ-CB 4.5Å; F286-V323 HydrophobicContact CZ-CG2 3.33Å; V323-E325 PolarHBondContact O-N 3.35Å
324	V	69.9	Low	76.2	Confident	12 Å²	12	56.5 Å²	56.5	7%	0.073	29%	0.285	C	S	.	.			trans	-79.4	122.8	179.3	-155.1	0	0	0	0	109.5	M93 A95 A326 W332	M93-V324 HydrophobicContact CB-CB 4.17Å; M93-V324 HydrophobicContact CB-CG1 3.8Å; M93-V324 HydrophobicContact CB-CG2 3.96Å; M93-V324 HydrophobicContact CG-CG1 4.45Å; A95-V324 VanDerWaalsContact CA-CG2 3.48Å; A95-V324 VanDerWaalsContact N-CG2 3.32Å; V324-A326 WeakPolarHBondContact CG1-O 3.19Å; V324-A326 PolarHBondContact O-N 2.95Å; V324-W332 HydrophobicContact CG1-CB 4.28Å; V324-W332 HydrophobicContact CG1-CG 3.89Å
325	E	65	Low	76	Confident	204 Å²	204	59.8 Å²	59.8	95%	0.953	31%	0.306	S	S	*	.	S	Bend	trans	-65.1	-27	177.1	-64.7	-172.9	167	0	0	112.6	V323	V323-E325 PolarHBondContact O-N 3.35Å
326	A	66.1	Low	76	Confident	12 Å²	12	61.7 Å²	61.7	10%	0.099	32%	0.315	C	S	.	.			trans	-133.3	122.4	178.3	0	0	0	0	0	110.9	V324 D328 R331	V324-A326 WeakPolarHBondContact CG1-O 3.19Å; V324-A326 PolarHBondContact O-N 2.95Å; A326-D328 PolarHBondContact O-N 2.77Å; A326-R331 HydrophobicContact CB-CB 3.78Å; A326-R331 HydrophobicContact CB-CG 3.5Å; A326-R331 VanDerWaalsContact CB-CG 3.5Å
327	N	72.8	Confident	76.1	Confident	67 Å²	67	58.9 Å²	58.9	36%	0.358	30%	0.3	S	S	.	.	S	Bend	trans	-74.8	-18.7	177.7	-63.6	-24.6	0	0	0	112.9	K92 M93 Q282	K92-N327 CarbonylContact C-O 3.55Å; K92-N327 VanDerWaalsContact CA-O 3.29Å; K92-N327 WeakPolarHBondContact CA-O 3.25Å; M93-N327 PolarHBondContact N-O 3.5Å; Q282-N327 VanDerWaalsContact NE2-CB 3.28Å; Q282-N327 PolarHBondContact NE2-ND2 3.28Å; Q282-N327 PolarHBondContact NE2-OD1 3.08Å; Q282-N327 VanDerWaalsContact NE2-OD1 3.09Å; Q282-N327 VanDerWaalsContact OE1-CG 3.27Å; Q282-N327 PolarHBondContact OE1-ND2 3.45Å
328	D	80.6	Confident	76.5	Confident	85 Å²	85	56.2 Å²	56.2	46%	0.455	28%	0.282	S	S	.	.	S	Bend	trans	-73.8	122.1	173.4	173.5	-105.7	0	0	0	110.3	A326 V330 R331 W332	A326-D328 PolarHBondContact O-N 2.77Å; D328-V330 VanDerWaalsContact C-N 3.32Å; D328-V330 PolarHBondContact O-N 2.95Å; D328-V330 WeakPolarHBondContact OD1-CB 3.47Å; D328-V330 PolarHBondContact OD1-N 3Å; D328-R331 HydrophobicContact CB-CB 4.17Å; D328-R331 PolarHBondContact O-N 3.43Å; D328-R331 WeakPolarHBondContact OD1-CB 2.96Å; D328-R331 PolarHBondContact OD1-N 2.94Å; D328-W332 WeakPolarHBondContact O-CB 3.41Å; D328-W332 PolarHBondContact O-N 2.97Å
329	P	79.3	Confident	77	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-33.2	-176.6	-25.6	35.5	0	0	0	114.5	I82 M86 F91 M93 W332 M333	I82-P329 HydrophobicContact CG2-CB 4.15Å; M86-P329 HydrophobicContact CG-CB 4.02Å; M86-P329 HydrophobicContact SD-CB 3.54Å; M86-P329 VanDerWaalsContact SD-CB 3.54Å; M86-P329 HydrophobicContact SD-CG 4.5Å; F91-P329 HydrophobicContact CD2-CB 4.3Å; F91-P329 HydrophobicContact CD2-CG 3.42Å; F91-P329 VanDerWaalsContact CD2-CG 3.42Å; F91-P329 HydrophobicContact CE2-CB 3.75Å; F91-P329 HydrophobicContact CE2-CG 3.38Å; F91-P329 WeakPolarHBondContact O-CD 3.3Å; F91-P329 WeakPolarHBondContact O-CG 3.48Å; M93-P329 HydrophobicContact CG-CB 4.46Å; M93-P329 HydrophobicContact CG-CG 4.36Å; M93-P329 HydrophobicContact SD-CB 4.21Å; M93-P329 HydrophobicContact SD-CG 4.3Å; P329-W332 PolarHBondContact O-N 3.37Å; P329-M333 WeakPolarHBondContact O-CG 3.5Å; P329-M333 PolarHBondContact O-N 3.1Å
330	V	82.3	Confident	77.4	Confident	37 Å²	37	54.7 Å²	54.7	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-65.9	-47.5	178	173.9	0	0	0	0	110.2	M86 D328 W332 M333 S334 Y338	M86-V330 HydrophobicContact CE-CG2 4.47Å; M86-V330 HydrophobicContact SD-CG2 3.64Å; D328-V330 VanDerWaalsContact C-N 3.32Å; D328-V330 PolarHBondContact O-N 2.95Å; D328-V330 WeakPolarHBondContact OD1-CB 3.47Å; D328-V330 PolarHBondContact OD1-N 3Å; V330-W332 VanDerWaalsContact C-N 3.35Å; V330-M333 PolarHBondContact O-N 2.95Å; V330-S334 CarbonylContact O-C 3.48Å; V330-S334 PolarHBondContact O-N 3.27Å; V330-Y338 HydrophobicContact CB-CG 4.48Å; V330-Y338 HydrophobicContact CG1-CD1 3.78Å; V330-Y338 HydrophobicContact CG1-CD2 4.27Å; V330-Y338 HydrophobicContact CG1-CE1 4.32Å; V330-Y338 HydrophobicContact CG1-CG 3.74Å; V330-Y338 HydrophobicContact CG2-CD2 3.95Å; V330-Y338 HydrophobicContact CG2-CE1 4.48Å; V330-Y338 HydrophobicContact CG2-CE2 3.9Å; V330-Y338 HydrophobicContact CG2-CG 4.27Å
331	R	79.8	Confident	77.7	Confident	181 Å²	181	52.4 Å²	52.4	68%	0.683	26%	0.261	S	S	*	.	H	α-helix	trans	-66.1	-38.1	177.1	-172.8	172.2	174.3	173.5	0.2	111.8	A326 D328 S334	A326-R331 HydrophobicContact CB-CB 3.78Å; A326-R331 HydrophobicContact CB-CG 3.5Å; A326-R331 VanDerWaalsContact CB-CG 3.5Å; D328-R331 HydrophobicContact CB-CB 4.17Å; D328-R331 PolarHBondContact O-N 3.43Å; D328-R331 WeakPolarHBondContact OD1-CB 2.96Å; D328-R331 PolarHBondContact OD1-N 2.94Å; R331-S334 PolarHBondContact O-N 3.2Å; R331-S334 VanDerWaalsContact O-N 3.11Å
332	W	77.1	Confident	78.1	Confident	31 Å²	31	56.2 Å²	56.2	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-60.6	-44.1	175	173.3	69	0	0	0	112.4	I82 M93 V269 S272 V324 D328 P329 V330 S334	I82-W332 HydrophobicContact CD1-CE3 4.1Å; I82-W332 HydrophobicContact CD1-CH2 3.89Å; I82-W332 HydrophobicContact CD1-CZ3 3.42Å; I82-W332 VanDerWaalsContact CD1-CZ3 3.42Å; I82-W332 HydrophobicContact CG2-CE3 4.49Å; I82-W332 HydrophobicContact CG2-CZ3 4.38Å; M93-W332 HydrophobicContact CE-CD2 3.57Å; M93-W332 HydrophobicContact CE-CE3 3.67Å; M93-W332 HydrophobicContact CE-CG 4.09Å; M93-W332 HydrophobicContact CE-CH2 4.49Å; M93-W332 HydrophobicContact CE-CZ2 4.39Å; M93-W332 HydrophobicContact CE-CZ3 4.14Å; M93-W332 HydrophobicContact CG-CB 3.8Å; M93-W332 HydrophobicContact CG-CD2 4.27Å; M93-W332 HydrophobicContact CG-CG 3.86Å; M93-W332 HydrophobicContact SD-CD2 4.21Å; M93-W332 HydrophobicContact SD-CE3 4.08Å; M93-W332 HydrophobicContact SD-CG 4.42Å; V269-W332 HydrophobicContact CB-CH2 3.7Å; V269-W332 HydrophobicContact CB-CZ2 3.7Å; V269-W332 HydrophobicContact CG1-CH2 3.83Å; V269-W332 HydrophobicContact CG1-CZ2 3.38Å; V269-W332 HydrophobicContact CG2-CH2 4.2Å; V269-W332 HydrophobicContact CG2-CZ2 4.02Å; S272-W332 VanDerWaalsContact CB-CH2 3.42Å; S272-W332 WeakPolarHBondContact OG-CZ2 3.48Å; V324-W332 HydrophobicContact CG1-CB 4.28Å; V324-W332 HydrophobicContact CG1-CG 3.89Å; D328-W332 WeakPolarHBondContact O-CB 3.41Å; D328-W332 PolarHBondContact O-N 2.97Å; P329-W332 PolarHBondContact O-N 3.37Å; V330-W332 VanDerWaalsContact C-N 3.35Å; W332-S334 PolarHBondContact O-N 3.12Å
333	M	75.6	Confident	78.7	Confident	5 Å²	5	53 Å²	53	3%	0.025	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.4	176.2	-70.1	-174.9	67.2	0	0	113.6	G79 I82 M86 P329 V330 Y337	G79-M333 VanDerWaalsContact O-CE 3.31Å; G79-M333 WeakPolarHBondContact O-CE 3.35Å; I82-M333 HydrophobicContact CB-SD 4.34Å; I82-M333 HydrophobicContact CG2-SD 3.84Å; M86-M333 HydrophobicContact CE-SD 3.53Å; M86-M333 VanDerWaalsContact CE-SD 3.53Å; P329-M333 WeakPolarHBondContact O-CG 3.5Å; P329-M333 PolarHBondContact O-N 3.1Å; V330-M333 PolarHBondContact O-N 2.95Å; M333-Y337 HydrophobicContact CB-CD1 4.32Å; M333-Y337 HydrophobicContact CE-CD1 3.33Å; M333-Y337 HydrophobicContact CE-CE1 3.26Å; M333-Y337 WeakPolarHBondContact O-CB 3.26Å
334	S	76.7	Confident	79.4	Confident	47 Å²	47	50.3 Å²	50.3	33%	0.329	25%	0.245	S	C	.	.			trans	67.8	128.4	-156.6	-174.1	0	0	0	0	112.4	V330 R331 W332 N336 Y337 Y338	V330-S334 CarbonylContact O-C 3.48Å; V330-S334 PolarHBondContact O-N 3.27Å; R331-S334 PolarHBondContact O-N 3.2Å; R331-S334 VanDerWaalsContact O-N 3.11Å; W332-S334 PolarHBondContact O-N 3.12Å; S334-N336 PolarHBondContact O-N 3.21Å; S334-N336 VanDerWaalsContact O-N 3.08Å; S334-N336 PolarHBondContact OG-N 2.97Å; S334-Y337 PolarHBondContact O-N 3.43Å; S334-Y338 PolarHBondContact O-N 3.18Å
335	T	79.4	Confident	80.2	Confident	71 Å²	71	52 Å²	52	44%	0.436	25%	0.254	S	S	.	.	H	α-helix	trans	-50.9	-35.4	173.9	-51	0	0	0	0	112.1	N339	T335-N339 VanDerWaalsContact O-CB 3.27Å; T335-N339 WeakPolarHBondContact O-CB 3.14Å; T335-N339 PolarHBondContact O-N 3.48Å; T335-N339 PolarHBondContact O-ND2 3.47Å
336	N	77.1	Confident	81.1	Confident	47 Å²	47	43.3 Å²	43.3	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-66.2	-44.3	178.3	-67.6	-20.4	0	0	0	112	L266 S334 N339 V340	L266-N336 HydrophobicContact CD1-CB 4.4Å; L266-N336 HydrophobicContact CD2-CB 3.64Å; L266-N336 HydrophobicContact CG-CB 4.43Å; S334-N336 PolarHBondContact O-N 3.21Å; S334-N336 VanDerWaalsContact O-N 3.08Å; S334-N336 PolarHBondContact OG-N 2.97Å; N336-N339 PolarHBondContact O-N 3.16Å; N336-V340 WeakPolarHBondContact O-CB 3.44Å; N336-V340 VanDerWaalsContact O-CG2 3.26Å; N336-V340 WeakPolarHBondContact O-CG2 3.42Å; N336-V340 PolarHBondContact O-N 3.49Å
337	Y	77.4	Confident	81.8	Confident	7 Å²	7	45.2 Å²	45.2	3%	0.027	23%	0.226	C	C	.	.	H	α-helix	trans	-68.7	-42.2	179.4	-174.5	-102.6	0	0	0	110.2	M142 L266 M333 S334 N339 V340 R341	M142-Y337 HydrophobicContact CE-CD2 3.97Å; M142-Y337 HydrophobicContact CE-CE2 4.45Å; M142-Y337 HydrophobicContact SD-CD2 3.6Å; M142-Y337 HydrophobicContact SD-CE2 3.49Å; M142-Y337 WeakPolarHBondContact SD-CE2 3.43Å; L266-Y337 VanDerWaalsContact CD2-CA 3.44Å; L266-Y337 HydrophobicContact CD2-CD2 4.32Å; L266-Y337 HydrophobicContact CD2-CG 4.44Å; M333-Y337 HydrophobicContact CB-CD1 4.32Å; M333-Y337 HydrophobicContact CE-CD1 3.33Å; M333-Y337 HydrophobicContact CE-CE1 3.26Å; M333-Y337 WeakPolarHBondContact O-CB 3.26Å; S334-Y337 PolarHBondContact O-N 3.43Å; Y337-N339 PolarHBondContact O-N 3.49Å; Y337-V340 PolarHBondContact O-N 2.82Å; Y337-R341 HydrophobicContact CD1-CG 3.94Å; Y337-R341 HydrophobicContact CE1-CG 3.57Å; Y337-R341 HydrophobicContact CE2-CG 4.33Å; Y337-R341 HydrophobicContact CG-CG 4.46Å; Y337-R341 WeakPolarHBondContact O-CB 3.19Å; Y337-R341 VanDerWaalsContact O-CG 3.28Å; Y337-R341 WeakPolarHBondContact O-CG 3.48Å; Y337-R341 PolarHBondContact O-N 2.76Å
338	Y	84.2	Confident	82.2	Confident	54 Å²	54	46.1 Å²	46.1	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-56.3	-48.7	174.6	174.6	-97.7	0	0	0	111.7	Y83 M86 V330 S334 R341 K342	Y83-Y338 AromaticContact CD2-CD2 3.99Å; Y83-Y338 HydrophobicContact CD2-CD2 3.99Å; Y83-Y338 HydrophobicContact CD2-CE2 4.25Å; Y83-Y338 AromaticContact CE2-CD2 3.98Å; Y83-Y338 HydrophobicContact CE2-CD2 3.98Å; Y83-Y338 AromaticContact CE2-CE2 3.98Å; Y83-Y338 HydrophobicContact CE2-CE2 3.98Å; M86-Y338 HydrophobicContact CE-CD2 3.78Å; M86-Y338 HydrophobicContact CE-CE2 3.93Å; M86-Y338 HydrophobicContact SD-CE2 4.41Å; V330-Y338 HydrophobicContact CB-CG 4.48Å; V330-Y338 HydrophobicContact CG1-CD1 3.78Å; V330-Y338 HydrophobicContact CG1-CD2 4.27Å; V330-Y338 HydrophobicContact CG1-CE1 4.32Å; V330-Y338 HydrophobicContact CG1-CG 3.74Å; V330-Y338 HydrophobicContact CG2-CD2 3.95Å; V330-Y338 HydrophobicContact CG2-CE1 4.48Å; V330-Y338 HydrophobicContact CG2-CE2 3.9Å; V330-Y338 HydrophobicContact CG2-CG 4.27Å; S334-Y338 PolarHBondContact O-N 3.18Å; Y338-R341 PolarHBondContact O-N 3.4Å; Y338-K342 HydrophobicContact CE1-CD 4.12Å; Y338-K342 WeakPolarHBondContact O-CB 3.48Å; Y338-K342 PolarHBondContact O-N 3Å
339	N	86.6	Confident	82	Confident	25 Å²	25	49.5 Å²	49.5	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-45.1	179.4	-74.2	-13.6	0	0	0	112.2	D149 T335 N336 Y337 R341 K342 A343	D149-N339 WeakPolarHBondContact OD1-CB 3.16Å; T335-N339 VanDerWaalsContact O-CB 3.27Å; T335-N339 WeakPolarHBondContact O-CB 3.14Å; T335-N339 PolarHBondContact O-N 3.48Å; T335-N339 PolarHBondContact O-ND2 3.47Å; N336-N339 PolarHBondContact O-N 3.16Å; Y337-N339 PolarHBondContact O-N 3.49Å; N339-R341 VanDerWaalsContact C-N 3.33Å; N339-R341 PolarHBondContact O-N 2.9Å; N339-K342 PolarHBondContact O-N 2.92Å; N339-A343 WeakPolarHBondContact O-CB 3.33Å; N339-A343 PolarHBondContact O-N 3.01Å
340	V	86.9	Confident	81.8	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-45	174.5	166.7	0	0	0	0	111.1	T141 M142 L266 N336 Y337 A343 M344	T141-V340 VanDerWaalsContact O-CG1 3.3Å; T141-V340 WeakPolarHBondContact O-CG1 3.26Å; M142-V340 HydrophobicContact CE-CB 4.28Å; M142-V340 HydrophobicContact CE-CG1 3.8Å; M142-V340 HydrophobicContact CE-CG2 4.27Å; M142-V340 HydrophobicContact SD-CG1 3.98Å; L266-V340 HydrophobicContact CD1-CG2 4.26Å; N336-V340 WeakPolarHBondContact O-CB 3.44Å; N336-V340 VanDerWaalsContact O-CG2 3.26Å; N336-V340 WeakPolarHBondContact O-CG2 3.42Å; N336-V340 PolarHBondContact O-N 3.49Å; Y337-V340 PolarHBondContact O-N 2.82Å; V340-A343 PolarHBondContact O-N 3Å; V340-M344 WeakPolarHBondContact O-CG 3.49Å; V340-M344 PolarHBondContact O-N 3.33Å; V340-M344 VanDerWaalsContact O-N 3.1Å
341	R	86.1	Confident	81.9	Confident	41 Å²	41	52.8 Å²	52.8	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-45.7	176.8	-74.3	-68.8	-62.3	-166.8	0.9	110.7	Y83 Y337 Y338 N339 A343 M344 D345	Y83-R341 HydrophobicContact CD2-CB 3.72Å; Y83-R341 HydrophobicContact CD2-CG 4.43Å; Y83-R341 HydrophobicContact CE1-CB 4.42Å; Y83-R341 HydrophobicContact CE2-CB 3.55Å; Y83-R341 HydrophobicContact CG-CB 4.26Å; Y337-R341 HydrophobicContact CD1-CG 3.94Å; Y337-R341 HydrophobicContact CE1-CG 3.57Å; Y337-R341 HydrophobicContact CE2-CG 4.33Å; Y337-R341 HydrophobicContact CG-CG 4.46Å; Y337-R341 WeakPolarHBondContact O-CB 3.19Å; Y337-R341 VanDerWaalsContact O-CG 3.28Å; Y337-R341 WeakPolarHBondContact O-CG 3.48Å; Y337-R341 PolarHBondContact O-N 2.76Å; Y338-R341 PolarHBondContact O-N 3.4Å; N339-R341 VanDerWaalsContact C-N 3.33Å; N339-R341 PolarHBondContact O-N 2.9Å; R341-A343 VanDerWaalsContact C-N 3.32Å; R341-A343 PolarHBondContact O-N 3.09Å; R341-M344 CarbonylContact O-C 3.59Å; R341-M344 PolarHBondContact O-N 3.29Å; R341-M344 VanDerWaalsContact O-N 3.13Å; R341-D345 WeakPolarHBondContact O-CB 3.14Å; R341-D345 PolarHBondContact O-N 2.84Å
342	K	87.8	Confident	82.2	Confident	90 Å²	90	47 Å²	47	39%	0.391	25%	0.25	S	C	.	.	H	α-helix	trans	-59.4	-39.4	176.1	-170.1	177.6	179.2	-179.7	0	112.8	Y83 Y338 N339 M344 D345	Y83-K342 VanDerWaalsContact OH-CA 3.22Å; Y83-K342 WeakPolarHBondContact OH-CA 3.05Å; Y83-K342 PolarHBondContact OH-N 3.17Å; Y338-K342 HydrophobicContact CE1-CD 4.12Å; Y338-K342 WeakPolarHBondContact O-CB 3.48Å; Y338-K342 PolarHBondContact O-N 3Å; N339-K342 PolarHBondContact O-N 2.92Å; K342-M344 VanDerWaalsContact C-N 3.34Å; K342-D345 PolarHBondContact O-N 2.66Å
343	A	89.2	Confident	82.7	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-34.1	175.8	0	0	0	0	0	113	I148 D149 N339 V340 R341	I148-A343 HydrophobicContact CB-CB 4.13Å; I148-A343 HydrophobicContact CG2-CB 3.9Å; D149-A343 HydrophobicContact CB-CB 4.17Å; N339-A343 WeakPolarHBondContact O-CB 3.33Å; N339-A343 PolarHBondContact O-N 3.01Å; V340-A343 PolarHBondContact O-N 3Å; R341-A343 VanDerWaalsContact C-N 3.32Å; R341-A343 PolarHBondContact O-N 3.09Å
344	M	88.8	Confident	83.5	Confident	25 Å²	25	51.9 Å²	51.9	12%	0.123	29%	0.291	C	S	.	.	H	α-helix	trans	-84.7	-21.7	177.9	-67.4	-63.7	-62.1	0	0	113.6	W140 T141 L144 G145 I148 I160 V340 R341 K342 C346	W140-M344 HydrophobicContact CG-CE 4.46Å; T141-M344 HydrophobicContact CG2-CB 4.39Å; T141-M344 HydrophobicContact CG2-CG 4.12Å; L144-M344 HydrophobicContact CB-CE 4.21Å; L144-M344 HydrophobicContact CB-SD 3.79Å; G145-M344 VanDerWaalsContact CA-CG 3.47Å; G145-M344 VanDerWaalsContact CA-SD 3.58Å; G145-M344 PolarHBondContact N-SD 2.93Å; I148-M344 HydrophobicContact CD1-SD 3.9Å; I160-M344 HydrophobicContact CD1-CE 3.82Å; I160-M344 WeakPolarHBondContact CD1-O 3.49Å; I160-M344 HydrophobicContact CD1-SD 4.01Å; I160-M344 HydrophobicContact CG2-CE 4.01Å; I160-M344 HydrophobicContact CG2-SD 4.44Å; V340-M344 WeakPolarHBondContact O-CG 3.49Å; V340-M344 PolarHBondContact O-N 3.33Å; V340-M344 VanDerWaalsContact O-N 3.1Å; R341-M344 CarbonylContact O-C 3.59Å; R341-M344 PolarHBondContact O-N 3.29Å; R341-M344 VanDerWaalsContact O-N 3.13Å; K342-M344 VanDerWaalsContact C-N 3.34Å; M344-C346 PolarHBondContact O-N 3.34Å
345	D	86	Confident	84.4	Confident	48 Å²	48	49.8 Å²	49.8	26%	0.257	28%	0.276	S	S	.	.			trans	-94	71.7	-177.3	177	55.1	0	0	0	109.9	Y83 K87 R341 K342	Y83-D345 HydrophobicContact CE1-CB 3.87Å; Y83-D345 WeakPolarHBondContact CE1-OD2 3.17Å; Y83-D345 VanDerWaalsContact CZ-OD2 3.28Å; Y83-D345 WeakPolarHBondContact OH-CB 3.04Å; Y83-D345 PolarHBondContact OH-OD2 3.39Å; K87-D345 WeakPolarHBondContact CE-OD2 3.39Å; K87-D345 IonicContact NZ-OD1 3.67Å; K87-D345 PolarHBondContact NZ-OD1 2.92Å; K87-D345 IonicContact NZ-OD2 2.77Å; K87-D345 PolarHBondContact NZ-OD2 2.86Å; R341-D345 WeakPolarHBondContact O-CB 3.14Å; R341-D345 PolarHBondContact O-N 2.84Å; K342-D345 PolarHBondContact O-N 2.66Å
346	C	83	Confident	85.3	Confident	21 Å²	21	49.5 Å²	49.5	14%	0.142	27%	0.267	C	S	.	.			trans	-127.6	121.4	-177.5	-168.5	0	0	0	0	107	C158 M344 N623	C158-C346 VanDerWaalsContact CA-SG 3.58Å; C158-C346 HydrophobicContact CB-CB 3.66Å; C158-C346 WeakPolarHBondContact CB-O 3.42Å; C158-C346 WeakPolarHBondContact CB-SG 3.3Å; C158-C346 VanDerWaalsContact SG-CA 3.59Å; C158-C346 WeakPolarHBondContact SG-CB 3.26Å; C158-C346 CovalentContact SG-SG 2.02Å; C158-C346 PolarHBondContact SG-SG 3.37Å; M344-C346 PolarHBondContact O-N 3.34Å; C346-N623 PolarHBondContact SG-ND2 3.48Å
347	T	81.8	Confident	86.3	Confident	53 Å²	53	47.4 Å²	47.4	33%	0.325	26%	0.255	S	S	.	.			trans	-110.1	147.1	170.5	73.4	0	0	0	0	110.5	C158 Q349 D350	C158-T347 PolarHBondContact SG-N 2.78Å; C158-T347 VanDerWaalsContact SG-N 3.45Å; C158-T347 PolarHBondContact SG-O 3.09Å; T347-Q349 PolarHBondContact O-N 2.87Å; T347-Q349 PolarHBondContact OG1-OE1 3.47Å; T347-D350 WeakPolarHBondContact CB-OD2 3.46Å; T347-D350 PolarHBondContact N-OD2 2.81Å; T347-D350 WeakPolarHBondContact O-CB 3.49Å; T347-D350 PolarHBondContact O-N 3.01Å; T347-D350 PolarHBondContact OG1-OD1 3.42Å; T347-D350 PolarHBondContact OG1-OD2 2.84Å
348	P	79.8	Confident	87.3	Confident	86 Å²	86	47.3 Å²	47.3	56%	0.558	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-54.4	-25.7	176.7	-28.1	35.9	0	0	0	113.8	D350 I351	P348-D350 VanDerWaalsContact C-N 3.31Å; P348-I351 PolarHBondContact O-N 3.37Å
349	Q	78.3	Confident	87.9	Confident	156 Å²	156	44.8 Å²	44.8	73%	0.729	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-70.2	-25.9	175.8	-64.7	77.5	8.8	0	0	113.1	T347 I351	T347-Q349 PolarHBondContact O-N 2.87Å; T347-Q349 PolarHBondContact OG1-OE1 3.47Å; Q349-I351 VanDerWaalsContact C-N 3.26Å
350	D	75.2	Confident	88.1	Confident	95 Å²	95	46.6 Å²	46.6	51%	0.508	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-78.3	-13.6	177.3	-55.9	-44.8	0	0	0	112.2	T347 P348	T347-D350 WeakPolarHBondContact CB-OD2 3.46Å; T347-D350 PolarHBondContact N-OD2 2.81Å; T347-D350 WeakPolarHBondContact O-CB 3.49Å; T347-D350 PolarHBondContact O-N 3.01Å; T347-D350 PolarHBondContact OG1-OD1 3.42Å; T347-D350 PolarHBondContact OG1-OD2 2.84Å; P348-D350 VanDerWaalsContact C-N 3.31Å
351	I	83.3	Confident	88.2	Confident	20 Å²	20	48 Å²	48	10%	0.103	27%	0.265	C	S	.	.	S	Bend	trans	-91.4	121.6	178.1	-62.5	-179.9	0	0	0	108.8	G157 C158 P348 Q349 P382 A626	G157-I351 VanDerWaalsContact CA-CD1 3.42Å; C158-I351 HydrophobicContact CB-CD1 4.13Å; C158-I351 WeakPolarHBondContact SG-CD1 3.25Å; P348-I351 PolarHBondContact O-N 3.37Å; Q349-I351 VanDerWaalsContact C-N 3.26Å; I351-P382 HydrophobicContact CG2-CB 3.91Å; I351-P382 HydrophobicContact CG2-CG 3.92Å; I351-A626 HydrophobicContact CD1-CB 3.84Å; I351-A626 HydrophobicContact CG1-CB 3.96Å
352	P	86.3	Confident	88.3	Confident	59 Å²	59	49.6 Å²	49.6	38%	0.383	28%	0.283	S	S	.	.			trans	-61.8	144.6	175.3	28.4	-35.9	0	0	0	110.2	A354 I355 P382	P352-A354 PolarHBondContact O-N 3.31Å; P352-A354 VanDerWaalsContact O-N 3.14Å; P352-I355 HydrophobicContact CG-CD1 3.56Å; P352-P382 WeakPolarHBondContact O-CB 3.38Å
353	S	88.1	Confident	88.5	Confident	112 Å²	112	45.5 Å²	45.5	78%	0.783	27%	0.266	S	S	*	.	S	Bend	trans	-61.6	-25.3	-179.1	57.1	0	0	0	0	113.6	T383	S353-T383 PolarHBondContact O-N 2.89Å; S353-T383 VanDerWaalsContact O-N 3.17Å; S353-T383 PolarHBondContact O-OG1 3.23Å
354	A	92.6	Very high	88.8	Confident	26 Å²	26	46.9 Å²	46.9	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.3	173.6	0	0	0	0	0	111.1	P352 T383	P352-A354 PolarHBondContact O-N 3.31Å; P352-A354 VanDerWaalsContact O-N 3.14Å; A354-T383 CarbonylContact C-O 3.13Å; A354-T383 WeakPolarHBondContact CA-O 3.27Å; A354-T383 WeakPolarHBondContact CB-OG1 3.43Å
355	I	95.4	Very high	89.1	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.9	167.5	-62.8	-62.9	0	0	0	108	P352 W357 P382 T383 S385 D405 A406 I627	P352-I355 HydrophobicContact CG-CD1 3.56Å; I355-W357 HydrophobicContact CG2-CE3 4.44Å; I355-W357 PolarHBondContact O-N 3.04Å; I355-P382 HydrophobicContact CD1-CG 4.06Å; I355-P382 HydrophobicContact CG1-CB 4.14Å; I355-P382 HydrophobicContact CG1-CG 3.4Å; I355-T383 PolarHBondContact N-O 3.22Å; I355-S385 PolarHBondContact O-N 2.94Å; I355-D405 HydrophobicContact CG2-CB 4.12Å; I355-A406 HydrophobicContact CG2-CB 4.05Å; I355-I627 HydrophobicContact CD1-CD1 3.48Å; I355-I627 VanDerWaalsContact CD1-CD1 3.48Å; I355-I627 HydrophobicContact CG1-CD1 3.85Å; I355-I627 HydrophobicContact CG2-CD1 4.24Å
356	R	97.4	Very high	89.6	Confident	64 Å²	64	51.3 Å²	51.3	24%	0.242	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	99.6	175.6	-65.8	168.1	-63.8	170.6	1.8	109.8	S385 I387 N402 E403 D405 A406	R356-S385 CarbonylContact C-O 3.53Å; R356-S385 WeakPolarHBondContact CA-O 3.39Å; R356-S385 WeakPolarHBondContact CG-OG 3.2Å; R356-I387 HydrophobicContact CB-CG1 3.78Å; R356-I387 HydrophobicContact CG-CG1 4.25Å; R356-N402 VanDerWaalsContact CZ-O 3.26Å; R356-N402 PolarHBondContact NH1-O 3.3Å; R356-N402 PolarHBondContact NH2-O 2.72Å; R356-N402 PolarHBondContact NH2-OD1 3.07Å; R356-E403 PolarHBondContact NH1-O 2.78Å; R356-D405 HydrophobicContact CB-CB 4.47Å; R356-D405 VanDerWaalsContact CB-OD2 3.31Å; R356-D405 WeakPolarHBondContact CB-OD2 3.46Å; R356-D405 IonicContact CZ-OD1 2.85Å; R356-D405 IonicContact CZ-OD2 3.43Å; R356-D405 PolarHBondContact N-OD2 3.31Å; R356-D405 IonicContact NE-OD1 3.82Å; R356-D405 IonicContact NE-OD2 3.6Å; R356-D405 PolarHBondContact NE-OD2 3.38Å; R356-D405 IonicContact NH2-OD1 2.71Å; R356-D405 PolarHBondContact NH2-OD1 3.08Å; R356-D405 IonicContact NH2-OD2 2.84Å; R356-D405 PolarHBondContact NH2-OD2 3.03Å; R356-D405 PolarHBondContact O-N 3.29Å; R356-A406 PolarHBondContact O-N 3.35Å
357	W	98.3	Very high	90.2	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.011	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.5	177.4	-149.2	-70.4	0	0	0	110.6	I355 M371 V384 S385 C386 I387 A406 V616 L631 I660 F661	I355-W357 HydrophobicContact CG2-CE3 4.44Å; I355-W357 PolarHBondContact O-N 3.04Å; W357-M371 HydrophobicContact CD2-CE 4.2Å; W357-M371 HydrophobicContact CE3-CE 4.07Å; W357-M371 HydrophobicContact CZ3-CE 4.47Å; W357-V384 HydrophobicContact CB-CG1 4.2Å; W357-V384 HydrophobicContact CE3-CG1 4.5Å; W357-S385 PolarHBondContact N-O 2.72Å; W357-C386 CarbonylContact O-C 3.55Å; W357-C386 WeakPolarHBondContact O-CA 3.37Å; W357-I387 PolarHBondContact O-N 3.37Å; W357-A406 CarbonylContact C-O 3.54Å; W357-A406 WeakPolarHBondContact CA-O 3.44Å; W357-A406 HydrophobicContact CD2-CB 4.44Å; W357-A406 HydrophobicContact CE3-CB 4.39Å; W357-V616 HydrophobicContact CH2-CG1 3.97Å; W357-V616 HydrophobicContact CH2-CG2 4.01Å; W357-V616 HydrophobicContact CZ2-CG1 4.12Å; W357-V616 HydrophobicContact CZ2-CG2 4.06Å; W357-L631 HydrophobicContact CH2-CD1 4.11Å; W357-L631 HydrophobicContact CH2-CD2 4.02Å; W357-L631 HydrophobicContact CZ3-CD2 4.11Å; W357-I660 HydrophobicContact CZ2-CG2 4.02Å; W357-F661 HydrophobicContact CH2-CE1 4.28Å; W357-F661 HydrophobicContact CH2-CE2 4.44Å; W357-F661 AromaticContact CH2-CZ 3.59Å; W357-F661 HydrophobicContact CH2-CZ 3.59Å; W357-F661 HydrophobicContact CZ2-CE1 4.09Å; W357-F661 HydrophobicContact CZ2-CE2 4.41Å; W357-F661 AromaticContact CZ2-CZ 3.65Å; W357-F661 HydrophobicContact CZ2-CZ 3.65Å
358	C	98.3	Very high	91	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.034	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.3	176.8	-155.1	0	0	0	0	110.9	I387 C395 A404 A406 M407	C358-I387 CarbonylContact C-O 3.22Å; C358-I387 VanDerWaalsContact CA-O 3.24Å; C358-I387 WeakPolarHBondContact CA-O 3.36Å; C358-C395 HydrophobicContact CB-CB 3.75Å; C358-C395 WeakPolarHBondContact CB-SG 3.32Å; C358-C395 WeakPolarHBondContact SG-CA 3.49Å; C358-C395 WeakPolarHBondContact SG-CB 3.42Å; C358-C395 CovalentContact SG-SG 2.04Å; C358-C395 PolarHBondContact SG-SG 3.35Å; C358-A404 HydrophobicContact CB-CB 4Å; C358-A406 PolarHBondContact N-O 3.32Å; C358-M407 HydrophobicContact CB-CB 4.25Å
359	V	96.3	Very high	91.9	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.2	-176.2	-65.7	0	0	0	0	110.6	E364 Q365 C368 I387 H388 G389 I660	V359-E364 HydrophobicContact CB-CB 3.7Å; V359-E364 HydrophobicContact CG1-CB 3.96Å; V359-Q365 HydrophobicContact CG2-CB 4.1Å; V359-C368 HydrophobicContact CG1-CB 3.92Å; V359-I387 PolarHBondContact N-O 3.07Å; V359-H388 WeakPolarHBondContact O-CA 3.25Å; V359-G389 PolarHBondContact O-N 3.4Å; V359-I660 HydrophobicContact CG1-CG1 4.49Å
360	L	90.8	Very high	92.7	Very high	63 Å²	63	41.2 Å²	41.2	33%	0.33	24%	0.24	S	C	.	.			trans	-114.8	-12	-167.7	-60.9	170.3	0	0	0	114.7	E364 S391 L392 C395	L360-E364 WeakPolarHBondContact CB-OE2 3.5Å; L360-E364 PolarHBondContact N-OE2 2.72Å; L360-S391 VanDerWaalsContact CD2-C 3.44Å; L360-S391 WeakPolarHBondContact CD2-O 3.2Å; L360-L392 HydrophobicContact CD1-CD2 3.57Å; L360-L392 HydrophobicContact CD1-CG 3.92Å; L360-C395 HydrophobicContact CD2-CB 4.49Å
361	S	88.9	Confident	93.7	Very high	31 Å²	31	36.8 Å²	36.8	22%	0.217	22%	0.216	C	C	.	.	S	Bend	trans	-136.4	165	-176.4	69.1	0	0	0	0	112.7	G363 E364 Q365	S361-G363 VanDerWaalsContact C-N 3.31Å; S361-G363 PolarHBondContact O-N 3.43Å; S361-E364 PolarHBondContact O-N 2.89Å; S361-E364 WeakPolarHBondContact OG-CG 3.43Å; S361-E364 PolarHBondContact OG-N 3.01Å; S361-Q365 WeakPolarHBondContact O-CB 3.3Å; S361-Q365 PolarHBondContact O-N 3.02Å
362	S	89.1	Confident	94.4	Very high	76 Å²	76	36.2 Å²	36.2	53%	0.531	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-44	170.5	47.4	0	0	0	0	111.8	Q365 Q366	S362-Q365 PolarHBondContact O-N 3.44Å; S362-Q366 PolarHBondContact O-N 2.8Å
363	G	91.8	Very high	94.9	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-60	-47.9	176.4	0	0	0	0	0	112.5	S361 Q365 Q366 K367 E655	S361-G363 VanDerWaalsContact C-N 3.31Å; S361-G363 PolarHBondContact O-N 3.43Å; G363-Q365 PolarHBondContact O-N 3.42Å; G363-Q366 PolarHBondContact O-N 3.44Å; G363-K367 WeakPolarHBondContact O-CB 3.37Å; G363-K367 PolarHBondContact O-N 2.92Å; G363-E655 WeakPolarHBondContact CA-O 2.89Å
364	E	94.5	Very high	95.2	Very high	33 Å²	33	31.4 Å²	31.4	15%	0.154	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-37.8	176.2	-71.8	-169.3	120	0	0	112.3	V359 L360 S361 K367 C368 L659 I660	V359-E364 HydrophobicContact CB-CB 3.7Å; V359-E364 HydrophobicContact CG1-CB 3.96Å; L360-E364 WeakPolarHBondContact CB-OE2 3.5Å; L360-E364 PolarHBondContact N-OE2 2.72Å; S361-E364 PolarHBondContact O-N 2.89Å; S361-E364 WeakPolarHBondContact OG-CG 3.43Å; S361-E364 PolarHBondContact OG-N 3.01Å; E364-K367 PolarHBondContact O-N 2.78Å; E364-C368 WeakPolarHBondContact O-CB 3.29Å; E364-C368 PolarHBondContact O-N 2.96Å; E364-L659 HydrophobicContact CG-CB 3.96Å; E364-L659 HydrophobicContact CG-CD2 3.65Å; E364-L659 HydrophobicContact CG-CG 4.4Å; E364-I660 HydrophobicContact CB-CG1 4.48Å; E364-I660 PolarHBondContact OE1-N 3.28Å
365	Q	95.7	Very high	95.4	Very high	62 Å²	62	30.2 Å²	30.2	29%	0.29	18%	0.177	S	C	.	.	H	α-helix	trans	-61.5	-44.7	176.4	-174.9	73.5	33.1	0	0	111.4	V359 S361 S362 G363 A369 C386	V359-Q365 HydrophobicContact CG2-CB 4.1Å; S361-Q365 WeakPolarHBondContact O-CB 3.3Å; S361-Q365 PolarHBondContact O-N 3.02Å; S362-Q365 PolarHBondContact O-N 3.44Å; G363-Q365 PolarHBondContact O-N 3.42Å; Q365-A369 PolarHBondContact O-N 3.42Å; Q365-A369 VanDerWaalsContact O-N 3.07Å; Q365-C386 PolarHBondContact NE2-O 3.13Å
366	Q	96.6	Very high	95.4	Very high	105 Å²	105	37.2 Å²	37.2	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-66.4	-49.3	177.3	-175.2	56.7	43.6	0	0	111.3	S362 G363 C368 A369 D370 Y654	S362-Q366 PolarHBondContact O-N 2.8Å; G363-Q366 PolarHBondContact O-N 3.44Å; Q366-C368 VanDerWaalsContact C-N 3.26Å; Q366-C368 PolarHBondContact O-N 3.33Å; Q366-A369 PolarHBondContact O-N 2.78Å; Q366-D370 PolarHBondContact NE2-OD1 3.06Å; Q366-D370 PolarHBondContact NE2-OD2 3.31Å; Q366-D370 PolarHBondContact O-N 3.04Å; Q366-Y654 HydrophobicContact CB-CD1 4.26Å; Q366-Y654 HydrophobicContact CB-CE1 4.46Å; Q366-Y654 HydrophobicContact CG-CD1 4.02Å; Q366-Y654 HydrophobicContact CG-CE1 3.95Å
367	K	96.8	Very high	95.2	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-36.8	177.5	-170.6	178.1	-178.5	-175.9	0	112.1	G363 E364 D370 M371 F646 M648 D650 S651 Y654 L659 I660 D663	G363-K367 WeakPolarHBondContact O-CB 3.37Å; G363-K367 PolarHBondContact O-N 2.92Å; E364-K367 PolarHBondContact O-N 2.78Å; K367-D370 PolarHBondContact O-N 2.79Å; K367-M371 WeakPolarHBondContact O-CB 3.48Å; K367-M371 PolarHBondContact O-N 3.24Å; K367-F646 HydrophobicContact CG-CE2 4.03Å; K367-M648 PolarHBondContact NZ-O 3.26Å; K367-D650 WeakPolarHBondContact CE-O 3.31Å; K367-D650 PolarHBondContact NZ-O 3.25Å; K367-S651 PolarHBondContact NZ-OG 3.01Å; K367-Y654 VanDerWaalsContact CA-CE1 3.47Å; K367-Y654 HydrophobicContact CB-CD1 3.89Å; K367-Y654 HydrophobicContact CB-CD2 4.28Å; K367-Y654 HydrophobicContact CB-CE1 3.8Å; K367-Y654 HydrophobicContact CB-CE2 4.2Å; K367-Y654 HydrophobicContact CB-CG 4.14Å; K367-Y654 HydrophobicContact CD-CD2 4.21Å; K367-Y654 HydrophobicContact CD-CE2 4.25Å; K367-Y654 HydrophobicContact CG-CD2 4.17Å; K367-Y654 HydrophobicContact CG-CE1 4.29Å; K367-Y654 HydrophobicContact CG-CE2 3.85Å; K367-L659 HydrophobicContact CD-CB 3.54Å; K367-L659 HydrophobicContact CD-CD1 4.28Å; K367-L659 WeakPolarHBondContact CD-O 3.4Å; K367-L659 WeakPolarHBondContact CE-O 3.44Å; K367-L659 PolarHBondContact NZ-O 3.19Å; K367-I660 HydrophobicContact CB-CD1 4.16Å; K367-I660 HydrophobicContact CD-CD1 4.38Å; K367-I660 HydrophobicContact CG-CD1 4.06Å; K367-D663 IonicContact NZ-OD1 2.9Å
368	C	97.9	Very high	95	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69	-39.7	178.7	175.2	0	0	0	0	111.4	V359 E364 Q366 D370 M371 G372 C386 I660	V359-C368 HydrophobicContact CG1-CB 3.92Å; E364-C368 WeakPolarHBondContact O-CB 3.29Å; E364-C368 PolarHBondContact O-N 2.96Å; Q366-C368 VanDerWaalsContact C-N 3.26Å; Q366-C368 PolarHBondContact O-N 3.33Å; C368-D370 VanDerWaalsContact C-N 3.34Å; C368-M371 WeakPolarHBondContact O-CB 3.16Å; C368-M371 PolarHBondContact O-N 2.71Å; C368-G372 PolarHBondContact O-N 2.86Å; C368-C386 HydrophobicContact CB-CB 3.82Å; C368-C386 WeakPolarHBondContact CB-SG 3.5Å; C368-C386 PolarHBondContact O-SG 2.75Å; C368-C386 VanDerWaalsContact O-SG 3.34Å; C368-C386 WeakPolarHBondContact SG-CB 3.48Å; C368-C386 CovalentContact SG-SG 2.02Å; C368-C386 PolarHBondContact SG-SG 3.03Å; C368-I660 HydrophobicContact CB-CD1 3.63Å
369	A	97.4	Very high	94.8	Very high	48 Å²	48	47.4 Å²	47.4	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-44.1	175.8	0	0	0	0	0	111.1	Q365 Q366 G372 A373 C386	Q365-A369 PolarHBondContact O-N 3.42Å; Q365-A369 VanDerWaalsContact O-N 3.07Å; Q366-A369 PolarHBondContact O-N 2.78Å; A369-G372 PolarHBondContact O-N 3.4Å; A369-A373 PolarHBondContact O-N 2.94Å; A369-C386 PolarHBondContact N-SG 3.32Å; A369-C386 VanDerWaalsContact N-SG 3.37Å
370	D	96.9	Very high	94.6	Very high	55 Å²	55	47.5 Å²	47.5	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-38.9	175.9	-66.2	-19.4	0	0	0	111.7	Q366 K367 C368 G372 A373 A374 F646 Y654	Q366-D370 PolarHBondContact NE2-OD1 3.06Å; Q366-D370 PolarHBondContact NE2-OD2 3.31Å; Q366-D370 PolarHBondContact O-N 3.04Å; K367-D370 PolarHBondContact O-N 2.79Å; C368-D370 VanDerWaalsContact C-N 3.34Å; D370-G372 PolarHBondContact O-N 2.88Å; D370-A373 PolarHBondContact O-N 3.47Å; D370-A374 VanDerWaalsContact O-CB 3.26Å; D370-A374 WeakPolarHBondContact O-CB 3.42Å; D370-A374 PolarHBondContact O-N 3.17Å; D370-F646 HydrophobicContact CB-CD2 3.96Å; D370-F646 HydrophobicContact CB-CE2 4.25Å; D370-Y654 WeakPolarHBondContact CB-OH 3.37Å; D370-Y654 VanDerWaalsContact OD2-CE1 3.22Å; D370-Y654 WeakPolarHBondContact OD2-CE1 3.29Å; D370-Y654 PolarHBondContact OD2-OH 3.48Å
371	M	96.4	Very high	94.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-48.4	172.4	-172.9	170.5	70.7	0	0	111.2	W357 K367 C368 A373 A374 F375 V384 F646 I660 F661	W357-M371 HydrophobicContact CD2-CE 4.2Å; W357-M371 HydrophobicContact CE3-CE 4.07Å; W357-M371 HydrophobicContact CZ3-CE 4.47Å; K367-M371 WeakPolarHBondContact O-CB 3.48Å; K367-M371 PolarHBondContact O-N 3.24Å; C368-M371 WeakPolarHBondContact O-CB 3.16Å; C368-M371 PolarHBondContact O-N 2.71Å; M371-A373 PolarHBondContact O-N 2.89Å; M371-A374 PolarHBondContact O-N 3.19Å; M371-F375 HydrophobicContact CG-CD1 4.1Å; M371-F375 HydrophobicContact CG-CE1 3.6Å; M371-F375 HydrophobicContact CG-CE2 4.09Å; M371-F375 HydrophobicContact CG-CZ 3.59Å; M371-F375 WeakPolarHBondContact O-CB 3.27Å; M371-F375 WeakPolarHBondContact O-CD1 3.12Å; M371-F375 VanDerWaalsContact O-CG 3.31Å; M371-F375 WeakPolarHBondContact O-CG 3.34Å; M371-F375 PolarHBondContact O-N 3.01Å; M371-F375 HydrophobicContact SD-CE1 4.49Å; M371-F375 HydrophobicContact SD-CE2 4.46Å; M371-F375 HydrophobicContact SD-CZ 3.98Å; M371-V384 HydrophobicContact CE-CG1 3.93Å; M371-F646 VanDerWaalsContact CA-CZ 3.47Å; M371-F646 HydrophobicContact CB-CE1 3.83Å; M371-F646 HydrophobicContact CB-CE2 3.87Å; M371-F646 HydrophobicContact CB-CZ 3.33Å; M371-F646 HydrophobicContact CG-CE1 3.71Å; M371-F646 HydrophobicContact CG-CZ 3.62Å; M371-F646 HydrophobicContact SD-CZ 4.3Å; M371-I660 HydrophobicContact CE-CD1 4.07Å; M371-I660 HydrophobicContact CE-CG2 4.3Å; M371-I660 HydrophobicContact SD-CD1 4.31Å; M371-F661 HydrophobicContact SD-CE2 4.18Å
372	G	96.7	Very high	94.8	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-41.9	177.3	0	0	0	0	0	112.9	C368 A369 D370 K376	C368-G372 PolarHBondContact O-N 2.86Å; A369-G372 PolarHBondContact O-N 3.4Å; D370-G372 PolarHBondContact O-N 2.88Å; G372-K376 VanDerWaalsContact O-CB 3.31Å; G372-K376 WeakPolarHBondContact O-CB 3.39Å; G372-K376 PolarHBondContact O-N 3.4Å
373	A	96.8	Very high	95	Very high	60 Å²	60	45.3 Å²	45.3	50%	0.496	26%	0.262	S	S	.	.	H	α-helix	trans	-65.3	-44.9	175.7	0	0	0	0	0	112.1	A369 D370 M371 K376 S377	A369-A373 PolarHBondContact O-N 2.94Å; D370-A373 PolarHBondContact O-N 3.47Å; M371-A373 PolarHBondContact O-N 2.89Å; A373-K376 PolarHBondContact O-N 2.72Å; A373-S377 PolarHBondContact O-N 3.28Å
374	A	95.2	Very high	95.3	Very high	11 Å²	11	45.9 Å²	45.9	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-45.3	177.8	0	0	0	0	0	111.3	D370 M371 K376 S377 K378 F638 F646	D370-A374 VanDerWaalsContact O-CB 3.26Å; D370-A374 WeakPolarHBondContact O-CB 3.42Å; D370-A374 PolarHBondContact O-N 3.17Å; M371-A374 PolarHBondContact O-N 3.19Å; A374-K376 PolarHBondContact O-N 3.22Å; A374-S377 WeakPolarHBondContact O-CB 3.23Å; A374-S377 PolarHBondContact O-N 3.35Å; A374-S377 PolarHBondContact O-OG 2.76Å; A374-K378 PolarHBondContact O-N 3.37Å; A374-F638 HydrophobicContact CB-CE1 4.1Å; A374-F638 HydrophobicContact CB-CE2 4.17Å; A374-F638 HydrophobicContact CB-CZ 3.79Å; A374-F638 WeakPolarHBondContact O-CZ 3.37Å; A374-F646 HydrophobicContact CB-CB 3.59Å; A374-F646 HydrophobicContact CB-CD1 3.69Å; A374-F646 HydrophobicContact CB-CG 3.73Å
375	F	95.4	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44	178.6	-76.3	21.7	0	0	0	111	M371 S377 K378 S379 L380 V384 L630 L631 A634 F638 F646 M648	M371-F375 HydrophobicContact CG-CD1 4.1Å; M371-F375 HydrophobicContact CG-CE1 3.6Å; M371-F375 HydrophobicContact CG-CE2 4.09Å; M371-F375 HydrophobicContact CG-CZ 3.59Å; M371-F375 WeakPolarHBondContact O-CB 3.27Å; M371-F375 WeakPolarHBondContact O-CD1 3.12Å; M371-F375 VanDerWaalsContact O-CG 3.31Å; M371-F375 WeakPolarHBondContact O-CG 3.34Å; M371-F375 PolarHBondContact O-N 3.01Å; M371-F375 HydrophobicContact SD-CE1 4.49Å; M371-F375 HydrophobicContact SD-CE2 4.46Å; M371-F375 HydrophobicContact SD-CZ 3.98Å; F375-S377 VanDerWaalsContact C-N 3.29Å; F375-S377 PolarHBondContact O-N 2.94Å; F375-K378 PolarHBondContact O-N 3.43Å; F375-K378 VanDerWaalsContact O-N 3.11Å; F375-S379 PolarHBondContact O-N 3.24Å; F375-L380 HydrophobicContact CB-CB 4.19Å; F375-L380 HydrophobicContact CB-CD1 4.09Å; F375-L380 HydrophobicContact CD1-CD1 4.19Å; F375-L380 HydrophobicContact CD2-CD1 4.4Å; F375-L380 HydrophobicContact CG-CD1 3.96Å; F375-L380 WeakPolarHBondContact O-CB 3.45Å; F375-L380 WeakPolarHBondContact O-CG 3.33Å; F375-L380 PolarHBondContact O-N 2.93Å; F375-L380 VanDerWaalsContact O-N 3.08Å; F375-V384 HydrophobicContact CD2-CG2 3.8Å; F375-V384 HydrophobicContact CE2-CG2 4.16Å; F375-L630 HydrophobicContact CD2-CD1 3.87Å; F375-L630 HydrophobicContact CD2-CD2 4.35Å; F375-L630 HydrophobicContact CD2-CG 4.16Å; F375-L630 HydrophobicContact CE2-CD1 4.3Å; F375-L630 HydrophobicContact CE2-CD2 4.42Å; F375-L630 HydrophobicContact CE2-CG 4.14Å; F375-L631 HydrophobicContact CE2-CD2 4.42Å; F375-A634 HydrophobicContact CD1-CB 4.05Å; F375-A634 HydrophobicContact CD2-CB 4.32Å; F375-A634 HydrophobicContact CE1-CB 3.43Å; F375-A634 VanDerWaalsContact CE1-CB 3.43Å; F375-A634 HydrophobicContact CE2-CB 3.73Å; F375-A634 HydrophobicContact CG-CB 4.47Å; F375-A634 HydrophobicContact CZ-CB 3.25Å; F375-F638 AromaticContact CD1-CD2 3.91Å; F375-F638 HydrophobicContact CD1-CD2 3.91Å; F375-F638 AromaticContact CD1-CE2 3.81Å; F375-F638 HydrophobicContact CD1-CE2 3.81Å; F375-F638 AromaticContact CE1-CD2 3.86Å; F375-F638 HydrophobicContact CE1-CD2 3.86Å; F375-F638 HydrophobicContact CE1-CE2 4.25Å; F375-F646 HydrophobicContact CE1-CE1 4.26Å; F375-M648 HydrophobicContact CE1-CG 4.25Å; F375-M648 HydrophobicContact CE1-SD 4.06Å; F375-M648 HydrophobicContact CZ-CE 4.03Å; F375-M648 HydrophobicContact CZ-CG 4.42Å; F375-M648 HydrophobicContact CZ-SD 3.97Å
376	K	95.6	Very high	95.5	Very high	151 Å²	151	44.7 Å²	44.7	66%	0.657	27%	0.266	S	S	*	.	H	α-helix	trans	-60.2	-37.9	175.3	-171.9	177.3	-179.9	-179.5	0	112.3	G372 A373 A374 K378 S379	G372-K376 VanDerWaalsContact O-CB 3.31Å; G372-K376 WeakPolarHBondContact O-CB 3.39Å; G372-K376 PolarHBondContact O-N 3.4Å; A373-K376 PolarHBondContact O-N 2.72Å; A374-K376 PolarHBondContact O-N 3.22Å; K376-K378 PolarHBondContact O-N 2.8Å; K376-S379 PolarHBondContact O-N 3.38Å
377	S	94.6	Very high	95.6	Very high	84 Å²	84	42 Å²	42	59%	0.587	26%	0.255	S	S	*	.	H	α-helix	trans	-63.6	-21.3	177.7	83.1	0	0	0	0	114	A373 A374 F375	A373-S377 PolarHBondContact O-N 3.28Å; A374-S377 WeakPolarHBondContact O-CB 3.23Å; A374-S377 PolarHBondContact O-N 3.35Å; A374-S377 PolarHBondContact O-OG 2.76Å; F375-S377 VanDerWaalsContact C-N 3.29Å; F375-S377 PolarHBondContact O-N 2.94Å
378	K	93.4	Very high	95.5	Very high	106 Å²	106	46.6 Å²	46.6	46%	0.461	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	13.4	175.6	-60.3	-58.9	-178.8	-172	0	112.8	A374 F375 K376 L380 H637 F638	A374-K378 PolarHBondContact O-N 3.37Å; F375-K378 PolarHBondContact O-N 3.43Å; F375-K378 VanDerWaalsContact O-N 3.11Å; K376-K378 PolarHBondContact O-N 2.8Å; K378-L380 HydrophobicContact CB-CD1 4.41Å; K378-L380 HydrophobicContact CB-CD2 4.18Å; K378-L380 HydrophobicContact CB-CG 3.92Å; K378-L380 PolarHBondContact O-N 3.45Å; K378-H637 HydrophobicContact CG-CB 4.5Å; K378-F638 HydrophobicContact CG-CE2 4.02Å; K378-F638 HydrophobicContact CG-CZ 3.58Å
379	S	92.9	Very high	95.4	Very high	96 Å²	96	46.6 Å²	46.6	67%	0.671	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	34.1	-178.2	-53.2	0	0	0	0	112.9	F375 K376	F375-S379 PolarHBondContact O-N 3.24Å; K376-S379 PolarHBondContact O-N 3.38Å
380	L	92.6	Very high	95	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	29%	0.291	C	S	.	.			trans	-76.5	138.7	176.1	-52.9	-176.1	0	0	0	109.7	M156 F375 K378 L630 R633 A634 F638	M156-L380 HydrophobicContact CE-CD2 4.36Å; M156-L380 HydrophobicContact SD-CB 4.14Å; M156-L380 HydrophobicContact SD-CD2 3.77Å; F375-L380 HydrophobicContact CB-CB 4.19Å; F375-L380 HydrophobicContact CB-CD1 4.09Å; F375-L380 HydrophobicContact CD1-CD1 4.19Å; F375-L380 HydrophobicContact CD2-CD1 4.4Å; F375-L380 HydrophobicContact CG-CD1 3.96Å; F375-L380 WeakPolarHBondContact O-CB 3.45Å; F375-L380 WeakPolarHBondContact O-CG 3.33Å; F375-L380 PolarHBondContact O-N 2.93Å; F375-L380 VanDerWaalsContact O-N 3.08Å; K378-L380 HydrophobicContact CB-CD1 4.41Å; K378-L380 HydrophobicContact CB-CD2 4.18Å; K378-L380 HydrophobicContact CB-CG 3.92Å; K378-L380 PolarHBondContact O-N 3.45Å; L380-L630 HydrophobicContact CB-CD1 3.7Å; L380-R633 HydrophobicContact CD2-CB 4.3Å; L380-R633 HydrophobicContact CD2-CG 3.51Å; L380-A634 HydrophobicContact CD1-CB 3.74Å; L380-F638 HydrophobicContact CD1-CE2 4.46Å
381	T	90.7	Very high	94.6	Very high	66 Å²	66	49.8 Å²	49.8	41%	0.405	30%	0.295	S	S	.	.	S	Bend	trans	-129.8	143	179.3	58.1	0	0	0	0	110.3	M156	M156-T381 WeakPolarHBondContact CG-O 3.19Å
382	P	92.9	Very high	94.2	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.019	30%	0.303	C	S	.	.	S	Bend	cis	-69.5	164.2	-3.6	31.1	-37.6	0	0	0	113.6	I351 P352 I355 L630	I351-P382 HydrophobicContact CG2-CB 3.91Å; I351-P382 HydrophobicContact CG2-CG 3.92Å; P352-P382 WeakPolarHBondContact O-CB 3.38Å; I355-P382 HydrophobicContact CD1-CG 4.06Å; I355-P382 HydrophobicContact CG1-CB 4.14Å; I355-P382 HydrophobicContact CG1-CG 3.4Å; P382-L630 HydrophobicContact CG-CD2 4.18Å; P382-L630 WeakPolarHBondContact O-CD2 3.33Å
383	T	95.2	Very high	94	Very high	55 Å²	55	53.1 Å²	53.1	34%	0.337	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	161.3	175.6	61.1	0	0	0	0	110.6	S353 A354 I355	S353-T383 PolarHBondContact O-N 2.89Å; S353-T383 VanDerWaalsContact O-N 3.17Å; S353-T383 PolarHBondContact O-OG1 3.23Å; A354-T383 CarbonylContact C-O 3.13Å; A354-T383 WeakPolarHBondContact CA-O 3.27Å; A354-T383 WeakPolarHBondContact CB-OG1 3.43Å; I355-T383 PolarHBondContact N-O 3.22Å
384	V	96.9	Very high	94	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.4	176.8	179.3	0	0	0	0	109.6	W357 M371 F375 L630	W357-V384 HydrophobicContact CB-CG1 4.2Å; W357-V384 HydrophobicContact CE3-CG1 4.5Å; M371-V384 HydrophobicContact CE-CG1 3.93Å; F375-V384 HydrophobicContact CD2-CG2 3.8Å; F375-V384 HydrophobicContact CE2-CG2 4.16Å; V384-L630 HydrophobicContact CG2-CD2 4.04Å
385	S	96.8	Very high	94.1	Very high	45 Å²	45	51.8 Å²	51.8	32%	0.315	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	161	168.2	64.4	0	0	0	0	109.8	I355 R356 W357	I355-S385 PolarHBondContact O-N 2.94Å; R356-S385 CarbonylContact C-O 3.53Å; R356-S385 WeakPolarHBondContact CA-O 3.39Å; R356-S385 WeakPolarHBondContact CG-OG 3.2Å; W357-S385 PolarHBondContact N-O 2.72Å
386	C	97.6	Very high	94.2	Very high	24 Å²	24	52 Å²	52	16%	0.162	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.3	-167.4	-48.8	0	0	0	0	110.7	W357 Q365 C368 A369	W357-C386 CarbonylContact O-C 3.55Å; W357-C386 WeakPolarHBondContact O-CA 3.37Å; Q365-C386 PolarHBondContact NE2-O 3.13Å; C368-C386 HydrophobicContact CB-CB 3.82Å; C368-C386 WeakPolarHBondContact CB-SG 3.5Å; C368-C386 PolarHBondContact O-SG 2.75Å; C368-C386 VanDerWaalsContact O-SG 3.34Å; C368-C386 WeakPolarHBondContact SG-CB 3.48Å; C368-C386 CovalentContact SG-SG 2.02Å; C368-C386 PolarHBondContact SG-SG 3.03Å; A369-C386 PolarHBondContact N-SG 3.32Å; A369-C386 VanDerWaalsContact N-SG 3.37Å
387	I	97.9	Very high	94.3	Very high	49 Å²	49	46.1 Å²	46.1	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.6	179	-58.3	-60.8	0	0	0	108.4	R356 W357 C358 V359 K398 A404	R356-I387 HydrophobicContact CB-CG1 3.78Å; R356-I387 HydrophobicContact CG-CG1 4.25Å; W357-I387 PolarHBondContact O-N 3.37Å; C358-I387 CarbonylContact C-O 3.22Å; C358-I387 VanDerWaalsContact CA-O 3.24Å; C358-I387 WeakPolarHBondContact CA-O 3.36Å; V359-I387 PolarHBondContact N-O 3.07Å; I387-K398 HydrophobicContact CG2-CD 4.09Å; I387-A404 HydrophobicContact CB-CB 4.44Å
388	H	96.2	Very high	94.5	Very high	97 Å²	97	44.1 Å²	44.1	45%	0.449	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.1	175.6	-175.9	-85.5	0	0	0	110.6	V359	V359-H388 WeakPolarHBondContact O-CA 3.25Å
389	G	94.8	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.239	C	C	.	.			trans	-108.6	141.2	169.4	0	0	0	0	0	111.1	V359 S391 D394	V359-G389 PolarHBondContact O-N 3.4Å; G389-S391 VanDerWaalsContact C-N 3.27Å; G389-S391 PolarHBondContact O-N 3.24Å; G389-D394 WeakPolarHBondContact CA-OD2 3.32Å
390	T	89.1	Confident	95	Very high	118 Å²	118	39.8 Å²	39.8	72%	0.724	23%	0.23	S	C	*	.	S	Bend	trans	-75.3	-17	179.6	55.9	0	0	0	0	113.4	D394	T390-D394 PolarHBondContact N-OD2 3.07Å; T390-D394 PolarHBondContact OG1-OD2 2.67Å
391	S	87.9	Confident	95.2	Very high	52 Å²	52	44.3 Å²	44.3	36%	0.364	25%	0.254	S	S	.	.	S	Bend	trans	-160.6	167.9	177.3	67	0	0	0	0	110.8	L360 G389 A393 D394 C395	L360-S391 VanDerWaalsContact CD2-C 3.44Å; L360-S391 WeakPolarHBondContact CD2-O 3.2Å; G389-S391 VanDerWaalsContact C-N 3.27Å; G389-S391 PolarHBondContact O-N 3.24Å; S391-A393 VanDerWaalsContact C-N 3.25Å; S391-A393 PolarHBondContact O-N 3.1Å; S391-A393 PolarHBondContact OG-N 2.88Å; S391-D394 WeakPolarHBondContact O-CB 2.61Å; S391-D394 PolarHBondContact O-N 3.12Å; S391-D394 WeakPolarHBondContact OG-CB 3.19Å; S391-D394 PolarHBondContact OG-N 2.82Å; S391-D394 VanDerWaalsContact OG-N 3.11Å; S391-C395 PolarHBondContact O-N 2.72Å
392	L	89.9	Confident	95.4	Very high	34 Å²	34	45.4 Å²	45.4	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-55.5	-42	171.2	-74.3	165.8	0	0	0	112	L360 D394 C395 M396 M407 L409 Y413	L360-L392 HydrophobicContact CD1-CD2 3.57Å; L360-L392 HydrophobicContact CD1-CG 3.92Å; L392-D394 VanDerWaalsContact C-N 3.34Å; L392-D394 PolarHBondContact O-N 3.47Å; L392-C395 PolarHBondContact O-N 2.93Å; L392-M396 HydrophobicContact CB-CE 4.39Å; L392-M396 WeakPolarHBondContact O-CE 3.21Å; L392-M396 WeakPolarHBondContact O-CG 3.47Å; L392-M396 PolarHBondContact O-N 3.21Å; L392-M407 HydrophobicContact CD2-CE 3.85Å; L392-L409 HydrophobicContact CD2-CD2 3.59Å; L392-Y413 HydrophobicContact CD1-CD1 4.01Å; L392-Y413 HydrophobicContact CD1-CD2 3.9Å; L392-Y413 HydrophobicContact CD1-CE1 3.63Å; L392-Y413 HydrophobicContact CD1-CE2 3.51Å; L392-Y413 HydrophobicContact CD1-CG 4.12Å
393	A	92.2	Very high	95.7	Very high	46 Å²	46	49.5 Å²	49.5	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-38.1	178.9	0	0	0	0	0	112.3	S391 A397 Y421	S391-A393 VanDerWaalsContact C-N 3.25Å; S391-A393 PolarHBondContact O-N 3.1Å; S391-A393 PolarHBondContact OG-N 2.88Å; A393-A397 VanDerWaalsContact O-CB 3.28Å; A393-A397 WeakPolarHBondContact O-CB 3.35Å; A393-A397 PolarHBondContact O-N 3.16Å; A393-Y421 PolarHBondContact O-OH 2.91Å
394	D	96	Very high	95.8	Very high	43 Å²	43	46.9 Å²	46.9	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-48	174.7	-176.8	32.3	0	0	0	110.9	G389 T390 S391 L392 M396 A397 K398	G389-D394 WeakPolarHBondContact CA-OD2 3.32Å; T390-D394 PolarHBondContact N-OD2 3.07Å; T390-D394 PolarHBondContact OG1-OD2 2.67Å; S391-D394 WeakPolarHBondContact O-CB 2.61Å; S391-D394 PolarHBondContact O-N 3.12Å; S391-D394 WeakPolarHBondContact OG-CB 3.19Å; S391-D394 PolarHBondContact OG-N 2.82Å; S391-D394 VanDerWaalsContact OG-N 3.11Å; L392-D394 VanDerWaalsContact C-N 3.34Å; L392-D394 PolarHBondContact O-N 3.47Å; D394-M396 PolarHBondContact O-N 3.07Å; D394-A397 WeakPolarHBondContact O-CB 3.28Å; D394-A397 PolarHBondContact O-N 3.11Å; D394-K398 WeakPolarHBondContact O-CB 3.4Å; D394-K398 VanDerWaalsContact O-CG 3.3Å; D394-K398 WeakPolarHBondContact O-CG 3.21Å; D394-K398 PolarHBondContact O-N 2.79Å; D394-K398 VanDerWaalsContact OD1-CE 3.31Å; D394-K398 WeakPolarHBondContact OD1-CE 3.1Å
395	C	97.6	Very high	95.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-45.6	175.4	-87.1	0	0	0	0	113	C358 L360 S391 L392 A397 K398 I399 M407	C358-C395 HydrophobicContact CB-CB 3.75Å; C358-C395 WeakPolarHBondContact CB-SG 3.32Å; C358-C395 WeakPolarHBondContact SG-CA 3.49Å; C358-C395 WeakPolarHBondContact SG-CB 3.42Å; C358-C395 CovalentContact SG-SG 2.04Å; C358-C395 PolarHBondContact SG-SG 3.35Å; L360-C395 HydrophobicContact CD2-CB 4.49Å; S391-C395 PolarHBondContact O-N 2.72Å; L392-C395 PolarHBondContact O-N 2.93Å; C395-A397 VanDerWaalsContact C-N 3.31Å; C395-A397 PolarHBondContact O-N 3.41Å; C395-K398 PolarHBondContact O-N 3.26Å; C395-I399 WeakPolarHBondContact O-CG1 3.26Å; C395-I399 PolarHBondContact O-N 3.44Å; C395-M407 HydrophobicContact CB-CE 3.55Å; C395-M407 HydrophobicContact CB-SD 3.7Å
396	M	97.8	Very high	95.9	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.025	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-38.6	176.9	-69.7	-176	-70.5	0	0	111.8	L392 D394 I399 K400 M407 L409 T416 A417 Y421 L423	L392-M396 HydrophobicContact CB-CE 4.39Å; L392-M396 WeakPolarHBondContact O-CE 3.21Å; L392-M396 WeakPolarHBondContact O-CG 3.47Å; L392-M396 PolarHBondContact O-N 3.21Å; D394-M396 PolarHBondContact O-N 3.07Å; M396-I399 PolarHBondContact O-N 3.1Å; M396-K400 WeakPolarHBondContact O-CB 3.36Å; M396-K400 PolarHBondContact O-N 3.21Å; M396-M407 HydrophobicContact CG-SD 3.73Å; M396-L409 HydrophobicContact CG-CD1 4.22Å; M396-L409 HydrophobicContact SD-CD1 4.04Å; M396-T416 HydrophobicContact CE-CG2 4.15Å; M396-A417 HydrophobicContact CG-CB 4.45Å; M396-A417 HydrophobicContact SD-CB 3.66Å; M396-Y421 HydrophobicContact CB-CD1 3.77Å; M396-Y421 HydrophobicContact CB-CD2 3.71Å; M396-Y421 HydrophobicContact CB-CE1 3.84Å; M396-Y421 HydrophobicContact CB-CE2 3.79Å; M396-Y421 HydrophobicContact CB-CG 3.7Å; M396-Y421 HydrophobicContact CE-CD2 4.23Å; M396-Y421 HydrophobicContact CE-CE2 3.64Å; M396-Y421 HydrophobicContact CG-CD2 4.36Å; M396-Y421 HydrophobicContact CG-CE2 4.48Å; M396-Y421 HydrophobicContact SD-CD2 3.86Å; M396-Y421 HydrophobicContact SD-CE2 3.91Å; M396-L423 HydrophobicContact CB-CD1 4.36Å; M396-L423 HydrophobicContact CG-CD1 4.29Å
397	A	98.1	Very high	95.9	Very high	27 Å²	27	43.4 Å²	43.4	22%	0.223	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-44.4	173.9	0	0	0	0	0	111.7	A393 D394 C395 I399 K400 N401 Y421	A393-A397 VanDerWaalsContact O-CB 3.28Å; A393-A397 WeakPolarHBondContact O-CB 3.35Å; A393-A397 PolarHBondContact O-N 3.16Å; D394-A397 WeakPolarHBondContact O-CB 3.28Å; D394-A397 PolarHBondContact O-N 3.11Å; C395-A397 VanDerWaalsContact C-N 3.31Å; C395-A397 PolarHBondContact O-N 3.41Å; A397-I399 VanDerWaalsContact C-N 3.33Å; A397-I399 PolarHBondContact O-N 3.39Å; A397-K400 WeakPolarHBondContact O-CB 3.27Å; A397-K400 PolarHBondContact O-N 3.18Å; A397-N401 VanDerWaalsContact O-CB 3.31Å; A397-N401 WeakPolarHBondContact O-CB 3.37Å; A397-N401 VanDerWaalsContact O-CG 3.23Å; A397-N401 PolarHBondContact O-N 3.44Å; A397-N401 PolarHBondContact O-ND2 2.92Å; A397-Y421 HydrophobicContact CB-CE1 3.93Å
398	K	98.5	Very high	95.8	Very high	42 Å²	42	42.4 Å²	42.4	18%	0.183	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-41.8	176	-74.8	-178.3	176.6	-63.4	0	112	I387 D394 C395 N401 N402 E403 A404	I387-K398 HydrophobicContact CG2-CD 4.09Å; D394-K398 WeakPolarHBondContact O-CB 3.4Å; D394-K398 VanDerWaalsContact O-CG 3.3Å; D394-K398 WeakPolarHBondContact O-CG 3.21Å; D394-K398 PolarHBondContact O-N 2.79Å; D394-K398 VanDerWaalsContact OD1-CE 3.31Å; D394-K398 WeakPolarHBondContact OD1-CE 3.1Å; C395-K398 PolarHBondContact O-N 3.26Å; K398-N401 PolarHBondContact O-N 2.67Å; K398-N402 PolarHBondContact O-N 3.47Å; K398-N402 VanDerWaalsContact O-N 3.17Å; K398-E403 HydrophobicContact CB-CB 3.95Å; K398-E403 HydrophobicContact CG-CB 4.12Å; K398-E403 IonicContact NZ-OE2 3.95Å; K398-E403 PolarHBondContact NZ-OE2 3Å; K398-E403 WeakPolarHBondContact O-CA 3.22Å; K398-E403 PolarHBondContact O-N 3.13Å; K398-A404 HydrophobicContact CB-CB 3.97Å; K398-A404 PolarHBondContact O-N 3.16Å; K398-A404 VanDerWaalsContact O-N 3.09Å
399	I	98.2	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-48.1	176.4	-64.8	168.8	0	0	0	110.4	C395 M396 A397 N401 N402 A404 M407 L423 R619	C395-I399 WeakPolarHBondContact O-CG1 3.26Å; C395-I399 PolarHBondContact O-N 3.44Å; M396-I399 PolarHBondContact O-N 3.1Å; A397-I399 VanDerWaalsContact C-N 3.33Å; A397-I399 PolarHBondContact O-N 3.39Å; I399-N401 VanDerWaalsContact C-N 3.29Å; I399-N401 PolarHBondContact O-N 3.45Å; I399-N402 PolarHBondContact O-N 2.55Å; I399-N402 VanDerWaalsContact O-N 3.13Å; I399-A404 WeakPolarHBondContact CA-O 3.26Å; I399-A404 HydrophobicContact CG1-CB 3.85Å; I399-M407 HydrophobicContact CD1-CB 3.84Å; I399-M407 HydrophobicContact CD1-CG 3.43Å; I399-M407 VanDerWaalsContact CD1-CG 3.43Å; I399-M407 HydrophobicContact CD1-SD 3.72Å; I399-L423 HydrophobicContact CB-CD1 4.19Å; I399-L423 HydrophobicContact CB-CD2 4.27Å; I399-L423 HydrophobicContact CD1-CD1 4.33Å; I399-L423 HydrophobicContact CG2-CD1 4.05Å; I399-L423 HydrophobicContact CG2-CD2 3.6Å; I399-L423 HydrophobicContact CG2-CG 4.49Å; I399-R619 HydrophobicContact CG2-CG 3.99Å; I399-R619 WeakPolarHBondContact O-CD 3.36Å; I399-R619 WeakPolarHBondContact O-CG 3.49Å; I399-R619 PolarHBondContact O-NH1 2.94Å
400	K	97.6	Very high	95.4	Very high	110 Å²	110	38.6 Å²	38.6	48%	0.478	22%	0.215	S	C	.	.	H	α-helix	trans	-56.8	-42.3	176.5	-176.5	-176.8	-172.3	172.3	0	112.4	M396 A397 N402 N420 Y421	M396-K400 WeakPolarHBondContact O-CB 3.36Å; M396-K400 PolarHBondContact O-N 3.21Å; A397-K400 WeakPolarHBondContact O-CB 3.27Å; A397-K400 PolarHBondContact O-N 3.18Å; K400-N402 PolarHBondContact O-N 2.87Å; K400-N420 PolarHBondContact NZ-O 2.96Å; K400-Y421 HydrophobicContact CB-CD1 4.36Å; K400-Y421 HydrophobicContact CD-CD1 4.06Å
401	N	97.3	Very high	95	Very high	99 Å²	99	33 Å²	33	53%	0.529	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	6.9	-178.5	-65.6	-14.1	0	0	0	113.7	A397 K398 I399 E403	A397-N401 VanDerWaalsContact O-CB 3.31Å; A397-N401 WeakPolarHBondContact O-CB 3.37Å; A397-N401 VanDerWaalsContact O-CG 3.23Å; A397-N401 PolarHBondContact O-N 3.44Å; A397-N401 PolarHBondContact O-ND2 2.92Å; K398-N401 PolarHBondContact O-N 2.67Å; I399-N401 VanDerWaalsContact C-N 3.29Å; I399-N401 PolarHBondContact O-N 3.45Å; N401-E403 VanDerWaalsContact C-N 3.25Å; N401-E403 HydrophobicContact CB-CG 4.36Å; N401-E403 PolarHBondContact O-N 3.47Å
402	N	96.1	Very high	94.8	Very high	89 Å²	89	30.7 Å²	30.7	48%	0.476	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	30.1	-178.2	-167.3	28.8	0	0	0	114.2	R356 K398 I399 K400 R619	R356-N402 VanDerWaalsContact CZ-O 3.26Å; R356-N402 PolarHBondContact NH1-O 3.3Å; R356-N402 PolarHBondContact NH2-O 2.72Å; R356-N402 PolarHBondContact NH2-OD1 3.07Å; K398-N402 PolarHBondContact O-N 3.47Å; K398-N402 VanDerWaalsContact O-N 3.17Å; I399-N402 PolarHBondContact O-N 2.55Å; I399-N402 VanDerWaalsContact O-N 3.13Å; K400-N402 PolarHBondContact O-N 2.87Å; N402-R619 PolarHBondContact OD1-NH1 2.87Å; N402-R619 PolarHBondContact OD1-NH2 3.42Å
403	E	97.4	Very high	94.8	Very high	89 Å²	89	30.1 Å²	30.1	42%	0.416	16%	0.162	S	C	.	.	S	Bend	trans	-93.2	-25.8	170.9	-65.9	175.3	-149.6	0	0	112.5	R356 K398 N401	R356-E403 PolarHBondContact NH1-O 2.78Å; K398-E403 HydrophobicContact CB-CB 3.95Å; K398-E403 HydrophobicContact CG-CB 4.12Å; K398-E403 IonicContact NZ-OE2 3.95Å; K398-E403 PolarHBondContact NZ-OE2 3Å; K398-E403 WeakPolarHBondContact O-CA 3.22Å; K398-E403 PolarHBondContact O-N 3.13Å; N401-E403 VanDerWaalsContact C-N 3.25Å; N401-E403 HydrophobicContact CB-CG 4.36Å; N401-E403 PolarHBondContact O-N 3.47Å
404	A	97.7	Very high	94.9	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-131.6	171.5	168.3	0	0	0	0	0	109.3	C358 I387 K398 I399 R619	C358-A404 HydrophobicContact CB-CB 4Å; I387-A404 HydrophobicContact CB-CB 4.44Å; K398-A404 HydrophobicContact CB-CB 3.97Å; K398-A404 PolarHBondContact O-N 3.16Å; K398-A404 VanDerWaalsContact O-N 3.09Å; I399-A404 WeakPolarHBondContact CA-O 3.26Å; I399-A404 HydrophobicContact CG1-CB 3.85Å; A404-R619 PolarHBondContact O-NH1 3.02Å
405	D	97.4	Very high	94.7	Very high	8 Å²	8	26 Å²	26	4%	0.043	13%	0.133	C	C	.	.			trans	-121.8	-34.3	-174.8	-61	-49.9	0	0	0	113.8	I355 R356 V618 R619	I355-D405 HydrophobicContact CG2-CB 4.12Å; R356-D405 HydrophobicContact CB-CB 4.47Å; R356-D405 VanDerWaalsContact CB-OD2 3.31Å; R356-D405 WeakPolarHBondContact CB-OD2 3.46Å; R356-D405 IonicContact CZ-OD1 2.85Å; R356-D405 IonicContact CZ-OD2 3.43Å; R356-D405 PolarHBondContact N-OD2 3.31Å; R356-D405 IonicContact NE-OD1 3.82Å; R356-D405 IonicContact NE-OD2 3.6Å; R356-D405 PolarHBondContact NE-OD2 3.38Å; R356-D405 IonicContact NH2-OD1 2.71Å; R356-D405 PolarHBondContact NH2-OD1 3.08Å; R356-D405 IonicContact NH2-OD2 2.84Å; R356-D405 PolarHBondContact NH2-OD2 3.03Å; R356-D405 PolarHBondContact O-N 3.29Å; D405-V618 WeakPolarHBondContact O-CG1 3.46Å; D405-R619 IonicContact OD1-CZ 3.48Å; D405-R619 IonicContact OD1-NH1 3.98Å; D405-R619 PolarHBondContact OD1-NH1 2.94Å; D405-R619 IonicContact OD1-NH2 2.76Å; D405-R619 PolarHBondContact OD1-NH2 3.49Å
406	A	97.9	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	152.1	-175.3	0	0	0	0	0	112.2	I355 R356 W357 C358 V616 M617 V618	I355-A406 HydrophobicContact CG2-CB 4.05Å; R356-A406 PolarHBondContact O-N 3.35Å; W357-A406 CarbonylContact C-O 3.54Å; W357-A406 WeakPolarHBondContact CA-O 3.44Å; W357-A406 HydrophobicContact CD2-CB 4.44Å; W357-A406 HydrophobicContact CE3-CB 4.39Å; C358-A406 PolarHBondContact N-O 3.32Å; A406-V616 HydrophobicContact CB-CG1 3.94Å; A406-M617 WeakPolarHBondContact CA-O 3.45Å; A406-V618 HydrophobicContact CB-CG1 3.96Å
407	M	97.6	Very high	94.3	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.02	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	154.4	165.3	67.5	-176.9	-54.6	0	0	110.1	C358 L392 C395 M396 I399 L409 V616 M617	C358-M407 HydrophobicContact CB-CB 4.25Å; L392-M407 HydrophobicContact CD2-CE 3.85Å; C395-M407 HydrophobicContact CB-CE 3.55Å; C395-M407 HydrophobicContact CB-SD 3.7Å; M396-M407 HydrophobicContact CG-SD 3.73Å; I399-M407 HydrophobicContact CD1-CB 3.84Å; I399-M407 HydrophobicContact CD1-CG 3.43Å; I399-M407 VanDerWaalsContact CD1-CG 3.43Å; I399-M407 HydrophobicContact CD1-SD 3.72Å; M407-L409 HydrophobicContact CE-CD2 3.44Å; M407-L409 VanDerWaalsContact CE-CD2 3.44Å; M407-L409 HydrophobicContact CE-CG 4.08Å; M407-L409 HydrophobicContact CG-CD1 4.26Å; M407-L409 HydrophobicContact CG-CD2 4.4Å; M407-L409 HydrophobicContact CG-CG 3.99Å; M407-L409 HydrophobicContact SD-CD1 4.05Å; M407-L409 HydrophobicContact SD-CD2 4.05Å; M407-L409 HydrophobicContact SD-CG 4.1Å; M407-V616 CarbonylContact O-C 3.58Å; M407-V616 WeakPolarHBondContact O-CA 2.98Å; M407-M617 PolarHBondContact N-O 2.92Å; M407-M617 PolarHBondContact O-N 3.05Å
408	T	96.6	Very high	94.2	Very high	27 Å²	27	26.3 Å²	26.3	17%	0.166	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.8	174.1	-47.3	0	0	0	0	109.8	H614 A615 I660 F661	T408-H614 HydrophobicContact CG2-CB 4.4Å; T408-A615 WeakPolarHBondContact CA-O 3.42Å; T408-I660 WeakPolarHBondContact CB-O 3.46Å; T408-I660 WeakPolarHBondContact CG2-O 3.43Å; T408-I660 PolarHBondContact OG1-O 2.81Å; T408-F661 HydrophobicContact CG2-CD1 4.26Å
409	L	94.4	Very high	94	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.2	-178	-72.7	-178.6	0	0	0	113	L392 M396 M407 I414 A417 H614 A615 M617	L392-L409 HydrophobicContact CD2-CD2 3.59Å; M396-L409 HydrophobicContact CG-CD1 4.22Å; M396-L409 HydrophobicContact SD-CD1 4.04Å; M407-L409 HydrophobicContact CE-CD2 3.44Å; M407-L409 VanDerWaalsContact CE-CD2 3.44Å; M407-L409 HydrophobicContact CE-CG 4.08Å; M407-L409 HydrophobicContact CG-CD1 4.26Å; M407-L409 HydrophobicContact CG-CD2 4.4Å; M407-L409 HydrophobicContact CG-CG 3.99Å; M407-L409 HydrophobicContact SD-CD1 4.05Å; M407-L409 HydrophobicContact SD-CD2 4.05Å; M407-L409 HydrophobicContact SD-CG 4.1Å; L409-I414 HydrophobicContact CB-CG1 4.05Å; L409-A417 HydrophobicContact CD1-CB 3.63Å; L409-H614 CarbonylContact O-C 3.46Å; L409-H614 WeakPolarHBondContact O-CA 3.46Å; L409-H614 WeakPolarHBondContact O-CB 3.37Å; L409-A615 PolarHBondContact N-O 2.92Å; L409-A615 PolarHBondContact O-N 2.71Å; L409-M617 HydrophobicContact CB-CG 4.12Å; L409-M617 HydrophobicContact CD1-CB 4.27Å; L409-M617 HydrophobicContact CD1-CG 3.89Å; L409-M617 HydrophobicContact CG-CG 4.26Å
410	D	88.5	Confident	93.8	Very high	13 Å²	13	33 Å²	33	7%	0.07	17%	0.167	C	C	.	.			trans	-68.1	153.2	166.2	172.7	-100.2	0	0	0	111.7	G412 Y413 I414 Y441 T473 Y545 H614	D410-G412 PolarHBondContact O-N 2.91Å; D410-G412 VanDerWaalsContact O-N 3.07Å; D410-G412 PolarHBondContact OD1-N 3.12Å; D410-Y413 HydrophobicContact CB-CD2 4.19Å; D410-Y413 WeakPolarHBondContact O-CA 3.48Å; D410-Y413 PolarHBondContact O-N 2.82Å; D410-I414 WeakPolarHBondContact O-CG1 3.35Å; D410-I414 PolarHBondContact O-N 3.44Å; D410-Y441 PolarHBondContact OD2-OH 3.22Å; D410-T473 VanDerWaalsContact CG-OG1 3.3Å; D410-T473 WeakPolarHBondContact OD1-CB 3.45Å; D410-T473 PolarHBondContact OD1-N 2.92Å; D410-T473 PolarHBondContact OD1-OG1 3.34Å; D410-T473 PolarHBondContact OD2-OG1 3.3Å; D410-Y545 PolarHBondContact OD2-OH 3.1Å; D410-H614 VanDerWaalsContact CA-CD2 3.44Å; D410-H614 WeakPolarHBondContact CA-CD2 3.31Å; D410-H614 IonicContact OD2-CD2 3.55Å; D410-H614 PolarHBondContact OD2-CD2 3.01Å; D410-H614 VanDerWaalsContact OD2-CD2 3.3Å; D410-H614 IonicContact OD2-NE2 3.56Å; D410-H614 PolarHBondContact OD2-NE2 3.45Å
411	G	81.4	Confident	93.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-50	-35.2	-178.8	0	0	0	0	0	114.7	Y413 I414 T473 L681	G411-Y413 VanDerWaalsContact C-N 3.33Å; G411-Y413 PolarHBondContact O-N 3.04Å; G411-I414 PolarHBondContact O-N 3.39Å; G411-T473 VanDerWaalsContact C-OG1 3.31Å; G411-T473 VanDerWaalsContact CA-OG1 3.29Å; G411-T473 WeakPolarHBondContact CA-OG1 3.46Å; G411-T473 PolarHBondContact N-OG1 2.9Å; G411-L681 WeakPolarHBondContact O-CD2 3.36Å
412	G	82.8	Confident	93.7	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-66.5	-34.3	177.1	0	0	0	0	0	112.6	D410 G471 T473 Y685	D410-G412 PolarHBondContact O-N 2.91Å; D410-G412 VanDerWaalsContact O-N 3.07Å; D410-G412 PolarHBondContact OD1-N 3.12Å; G412-G471 WeakPolarHBondContact CA-O 3.13Å; G412-T473 PolarHBondContact N-OG1 3.35Å; G412-Y685 WeakPolarHBondContact CA-OH 3.48Å; G412-Y685 PolarHBondContact N-OH 2.96Å
413	Y	90.5	Very high	93.8	Very high	22 Å²	22	23.1 Å²	23.1	9%	0.086	13%	0.125	C	C	.	.	H	α-helix	trans	-88.6	-20.8	177.1	-61.5	-62	0	0	0	113.4	L392 D410 G411 Y415 T416 A417 Y470 R472 K537	L392-Y413 HydrophobicContact CD1-CD1 4.01Å; L392-Y413 HydrophobicContact CD1-CD2 3.9Å; L392-Y413 HydrophobicContact CD1-CE1 3.63Å; L392-Y413 HydrophobicContact CD1-CE2 3.51Å; L392-Y413 HydrophobicContact CD1-CG 4.12Å; D410-Y413 HydrophobicContact CB-CD2 4.19Å; D410-Y413 WeakPolarHBondContact O-CA 3.48Å; D410-Y413 PolarHBondContact O-N 2.82Å; G411-Y413 VanDerWaalsContact C-N 3.33Å; G411-Y413 PolarHBondContact O-N 3.04Å; Y413-Y415 PolarHBondContact O-N 2.89Å; Y413-T416 PolarHBondContact O-N 3.39Å; Y413-A417 VanDerWaalsContact O-CB 3.23Å; Y413-A417 WeakPolarHBondContact O-CB 3.29Å; Y413-A417 PolarHBondContact O-N 3.45Å; Y413-Y470 PolarHBondContact OH-O 3.25Å; Y413-R472 HydrophobicContact CE2-CG 3.71Å; Y413-K537 VanDerWaalsContact OH-CE 3.32Å; Y413-K537 WeakPolarHBondContact OH-CE 3.31Å; Y413-K537 PolarHBondContact OH-NZ 3.32Å
414	I	94.5	Very high	93.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-38.1	170.6	-67.9	174.5	0	0	0	110.1	L409 D410 G411 A417 G418 A615 M617 L681	L409-I414 HydrophobicContact CB-CG1 4.05Å; D410-I414 WeakPolarHBondContact O-CG1 3.35Å; D410-I414 PolarHBondContact O-N 3.44Å; G411-I414 PolarHBondContact O-N 3.39Å; I414-A417 PolarHBondContact O-N 2.87Å; I414-G418 PolarHBondContact O-N 3.5Å; I414-A615 HydrophobicContact CD1-CB 3.61Å; I414-M617 HydrophobicContact CB-SD 4.49Å; I414-M617 HydrophobicContact CD1-SD 4.44Å; I414-M617 HydrophobicContact CG1-CG 4.28Å; I414-M617 HydrophobicContact CG1-SD 3.96Å; I414-M617 HydrophobicContact CG2-CE 3.92Å; I414-M617 HydrophobicContact CG2-SD 4.08Å; I414-L681 HydrophobicContact CB-CD1 4.45Å; I414-L681 HydrophobicContact CB-CD2 4.06Å; I414-L681 HydrophobicContact CB-CG 4.46Å; I414-L681 HydrophobicContact CG2-CD1 4.07Å; I414-L681 HydrophobicContact CG2-CD2 3.98Å; I414-L681 HydrophobicContact CG2-CG 3.92Å
415	Y	91.2	Very high	93.8	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-58	-54.3	174	-179.4	-90.3	0	0	0	111.1	Y413 A417 G418 K419 L681 M686 V689 E690 E693	Y413-Y415 PolarHBondContact O-N 2.89Å; Y415-A417 PolarHBondContact O-N 2.83Å; Y415-G418 PolarHBondContact O-N 3.25Å; Y415-K419 HydrophobicContact CD1-CD 4.35Å; Y415-K419 HydrophobicContact CE1-CB 4.46Å; Y415-K419 HydrophobicContact CE1-CD 3.41Å; Y415-K419 VanDerWaalsContact CE1-CD 3.41Å; Y415-K419 VanDerWaalsContact O-CB 3.27Å; Y415-K419 WeakPolarHBondContact O-CB 3.33Å; Y415-K419 PolarHBondContact O-N 3.02Å; Y415-K419 WeakPolarHBondContact OH-CD 3.24Å; Y415-K419 PolarHBondContact OH-NZ 3.02Å; Y415-L681 HydrophobicContact CD2-CD1 4.32Å; Y415-M686 HydrophobicContact CD2-CE 3.78Å; Y415-M686 HydrophobicContact CD2-SD 3.49Å; Y415-M686 WeakPolarHBondContact CD2-SD 3.21Å; Y415-M686 HydrophobicContact CE2-CE 3.41Å; Y415-M686 VanDerWaalsContact CE2-CE 3.41Å; Y415-M686 HydrophobicContact CE2-SD 3.77Å; Y415-V689 HydrophobicContact CD1-CG1 3.85Å; Y415-V689 HydrophobicContact CD2-CB 4.4Å; Y415-V689 HydrophobicContact CD2-CG1 4.02Å; Y415-V689 HydrophobicContact CE1-CG1 4.1Å; Y415-V689 HydrophobicContact CE2-CG1 4.23Å; Y415-V689 HydrophobicContact CG-CG1 3.84Å; Y415-E690 HydrophobicContact CE2-CG 4.08Å; Y415-E690 VanDerWaalsContact OH-CG 3.23Å; Y415-E690 WeakPolarHBondContact OH-CG 3.39Å; Y415-E693 WeakPolarHBondContact CE1-OE1 3.27Å; Y415-E693 WeakPolarHBondContact CE1-OE2 3.4Å
416	T	91.3	Very high	93.7	Very high	33 Å²	33	19.9 Å²	19.9	20%	0.202	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-42.9	178.7	-49.9	0	0	0	0	112	M396 Y413 G418 N420 Y421	M396-T416 HydrophobicContact CE-CG2 4.15Å; Y413-T416 PolarHBondContact O-N 3.39Å; T416-G418 PolarHBondContact O-N 2.82Å; T416-N420 WeakPolarHBondContact O-CB 3.37Å; T416-N420 PolarHBondContact O-N 2.68Å; T416-Y421 HydrophobicContact CG2-CE2 4.28Å
417	A	96.4	Very high	93.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.6	-45	178.9	0	0	0	0	0	111.7	M396 L409 Y413 I414 Y415 Y421 G422 L423 M617	M396-A417 HydrophobicContact CG-CB 4.45Å; M396-A417 HydrophobicContact SD-CB 3.66Å; L409-A417 HydrophobicContact CD1-CB 3.63Å; Y413-A417 VanDerWaalsContact O-CB 3.23Å; Y413-A417 WeakPolarHBondContact O-CB 3.29Å; Y413-A417 PolarHBondContact O-N 3.45Å; I414-A417 PolarHBondContact O-N 2.87Å; Y415-A417 PolarHBondContact O-N 2.83Å; A417-Y421 CarbonylContact O-C 3.35Å; A417-Y421 WeakPolarHBondContact O-CA 3.08Å; A417-Y421 VanDerWaalsContact O-CB 3.3Å; A417-Y421 WeakPolarHBondContact O-CB 3.4Å; A417-Y421 PolarHBondContact O-N 2.79Å; A417-G422 PolarHBondContact O-N 2.8Å; A417-G422 VanDerWaalsContact O-N 3.07Å; A417-L423 HydrophobicContact CB-CB 4.17Å; A417-L423 HydrophobicContact CB-CD1 4.17Å; A417-L423 HydrophobicContact CB-CG 4.45Å; A417-L423 PolarHBondContact O-N 3.49Å; A417-M617 HydrophobicContact CB-CE 4.18Å
418	G	95.9	Very high	93.4	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	11%	0.111	C	C	.	.	H	α-helix	trans	-68.7	-52.4	176.5	0	0	0	0	0	113.1	I414 Y415 T416 G422 L423	I414-G418 PolarHBondContact O-N 3.5Å; Y415-G418 PolarHBondContact O-N 3.25Å; T416-G418 PolarHBondContact O-N 2.82Å; G418-G422 VanDerWaalsContact O-CA 3.28Å; G418-G422 WeakPolarHBondContact O-CA 3.22Å; G418-G422 PolarHBondContact O-N 2.98Å; G418-G422 VanDerWaalsContact O-N 3.08Å; G418-L423 WeakPolarHBondContact CA-O 3.22Å
419	K	92.6	Very high	93.2	Very high	97 Å²	97	18.5 Å²	18.5	42%	0.422	10%	0.103	S	C	.	.	H	α-helix	trans	-67.8	-46.8	-174.8	-175.1	177.7	177.5	178.5	0	113.5	Y415 E693	Y415-K419 HydrophobicContact CD1-CD 4.35Å; Y415-K419 HydrophobicContact CE1-CB 4.46Å; Y415-K419 HydrophobicContact CE1-CD 3.41Å; Y415-K419 VanDerWaalsContact CE1-CD 3.41Å; Y415-K419 VanDerWaalsContact O-CB 3.27Å; Y415-K419 WeakPolarHBondContact O-CB 3.33Å; Y415-K419 PolarHBondContact O-N 3.02Å; Y415-K419 WeakPolarHBondContact OH-CD 3.24Å; Y415-K419 PolarHBondContact OH-NZ 3.02Å; K419-E693 IonicContact NZ-OE2 2.64Å; K419-E693 PolarHBondContact NZ-OE2 3.24Å
420	N	94.4	Very high	92.9	Very high	87 Å²	87	18.3 Å²	18.3	47%	0.465	10%	0.102	S	C	.	.	H	α-helix	trans	-96.9	-25.8	-170.9	-61.7	-12.1	0	0	0	113	K400 T416	K400-N420 PolarHBondContact NZ-O 2.96Å; T416-N420 WeakPolarHBondContact O-CB 3.37Å; T416-N420 PolarHBondContact O-N 2.68Å
421	Y	97.2	Very high	92.7	Very high	49 Å²	49	18.4 Å²	18.4	19%	0.192	10%	0.102	C	C	.	.	H	α-helix	trans	-116.6	-10	-174.6	-58.4	-93.1	0	0	0	114.1	A393 M396 A397 K400 T416 A417 L423	A393-Y421 PolarHBondContact O-OH 2.91Å; M396-Y421 HydrophobicContact CB-CD1 3.77Å; M396-Y421 HydrophobicContact CB-CD2 3.71Å; M396-Y421 HydrophobicContact CB-CE1 3.84Å; M396-Y421 HydrophobicContact CB-CE2 3.79Å; M396-Y421 HydrophobicContact CB-CG 3.7Å; M396-Y421 HydrophobicContact CE-CD2 4.23Å; M396-Y421 HydrophobicContact CE-CE2 3.64Å; M396-Y421 HydrophobicContact CG-CD2 4.36Å; M396-Y421 HydrophobicContact CG-CE2 4.48Å; M396-Y421 HydrophobicContact SD-CD2 3.86Å; M396-Y421 HydrophobicContact SD-CE2 3.91Å; A397-Y421 HydrophobicContact CB-CE1 3.93Å; K400-Y421 HydrophobicContact CB-CD1 4.36Å; K400-Y421 HydrophobicContact CD-CD1 4.06Å; T416-Y421 HydrophobicContact CG2-CE2 4.28Å; A417-Y421 CarbonylContact O-C 3.35Å; A417-Y421 WeakPolarHBondContact O-CA 3.08Å; A417-Y421 VanDerWaalsContact O-CB 3.3Å; A417-Y421 WeakPolarHBondContact O-CB 3.4Å; A417-Y421 PolarHBondContact O-N 2.79Å; Y421-L423 VanDerWaalsContact C-N 3.27Å; Y421-L423 PolarHBondContact O-N 3.08Å
422	G	96.7	Very high	92.2	Very high	38 Å²	38	18.8 Å²	18.8	39%	0.392	10%	0.104	S	C	.	.			trans	70.9	20.6	179.7	0	0	0	0	0	113.7	A417 G418 P620	A417-G422 PolarHBondContact O-N 2.8Å; A417-G422 VanDerWaalsContact O-N 3.07Å; G418-G422 VanDerWaalsContact O-CA 3.28Å; G418-G422 WeakPolarHBondContact O-CA 3.22Å; G418-G422 PolarHBondContact O-N 2.98Å; G418-G422 VanDerWaalsContact O-N 3.08Å; G422-P620 WeakPolarHBondContact O-CD 3.41Å; G422-P620 VanDerWaalsContact O-CG 3.23Å; G422-P620 WeakPolarHBondContact O-CG 3.21Å
423	L	98.3	Very high	91.2	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.138	C	C	.	.			trans	-78.5	152.9	-178.6	-53.6	-171.5	0	0	0	111.7	M396 I399 A417 G418 Y421 M617 V618	M396-L423 HydrophobicContact CB-CD1 4.36Å; M396-L423 HydrophobicContact CG-CD1 4.29Å; I399-L423 HydrophobicContact CB-CD1 4.19Å; I399-L423 HydrophobicContact CB-CD2 4.27Å; I399-L423 HydrophobicContact CD1-CD1 4.33Å; I399-L423 HydrophobicContact CG2-CD1 4.05Å; I399-L423 HydrophobicContact CG2-CD2 3.6Å; I399-L423 HydrophobicContact CG2-CG 4.49Å; A417-L423 HydrophobicContact CB-CB 4.17Å; A417-L423 HydrophobicContact CB-CD1 4.17Å; A417-L423 HydrophobicContact CB-CG 4.45Å; A417-L423 PolarHBondContact O-N 3.49Å; G418-L423 WeakPolarHBondContact CA-O 3.22Å; Y421-L423 VanDerWaalsContact C-N 3.27Å; Y421-L423 PolarHBondContact O-N 3.08Å; L423-M617 HydrophobicContact CB-CB 4.31Å; L423-M617 HydrophobicContact CB-CE 4.16Å; L423-M617 HydrophobicContact CD1-CB 4.39Å; L423-V618 CarbonylContact C-O 3.39Å; L423-V618 VanDerWaalsContact CA-O 3.31Å; L423-V618 WeakPolarHBondContact CA-O 3.47Å; L423-V618 WeakPolarHBondContact CB-O 3.21Å
424	V	97.3	Very high	89.4	Confident	27 Å²	27	29 Å²	29	16%	0.164	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.9	-179.5	-64.3	0	0	0	0	111.3	M617 V618 P620	V424-M617 WeakPolarHBondContact O-CA 3.46Å; V424-V618 HydrophobicContact CG2-CG2 4.04Å; V424-V618 PolarHBondContact N-O 3.3Å; V424-V618 PolarHBondContact O-N 3.14Å; V424-P620 HydrophobicContact CG1-CG 4.25Å
425	P	96.9	Very high	87.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137	176.9	32.6	-38.1	0	0	0	111.2	A615 V616 M617 V671 K674 K675 W680	P425-A615 HydrophobicContact CB-CB 3.89Å; P425-V616 CarbonylContact C-O 3.54Å; P425-V616 WeakPolarHBondContact CA-O 3.22Å; P425-M617 HydrophobicContact CB-SD 3.81Å; P425-V671 HydrophobicContact CB-CG1 3.86Å; P425-V671 HydrophobicContact CG-CG1 4.3Å; P425-K674 WeakPolarHBondContact CG-O 3.39Å; P425-K675 WeakPolarHBondContact CD-O 3.46Å; P425-W680 HydrophobicContact CB-CD2 4.47Å; P425-W680 HydrophobicContact CB-CG 4.43Å; P425-W680 HydrophobicContact CG-CB 4.06Å; P425-W680 HydrophobicContact CG-CG 4.3Å
426	A	95.5	Very high	85.6	Confident	2 Å²	2	39.8 Å²	39.8	2%	0.017	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-35.4	177.7	0	0	0	0	0	113.5	V616 V618 I624 I627	A426-V616 PolarHBondContact N-O 3.44Å; A426-V618 HydrophobicContact CB-CG1 3.92Å; A426-V618 HydrophobicContact CB-CG2 3.82Å; A426-I624 HydrophobicContact CB-CB 3.86Å; A426-I624 HydrophobicContact CB-CG2 3.79Å; A426-I627 HydrophobicContact CB-CB 3.99Å; A426-I627 HydrophobicContact CB-CG1 4.26Å; A426-I627 HydrophobicContact CB-CG2 3.97Å
427	A	95.3	Very high	83.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	165	178.8	0	0	0	0	0	108.8	A615 V616 Y628 L631 I668 I669	A427-A615 CarbonylContact O-C 3.51Å; A427-A615 VanDerWaalsContact O-CA 3.3Å; A427-A615 WeakPolarHBondContact O-CA 3.47Å; A427-V616 HydrophobicContact CB-CB 4.39Å; A427-V616 HydrophobicContact CB-CG2 4.36Å; A427-V616 PolarHBondContact O-N 3.3Å; A427-Y628 HydrophobicContact CB-CD2 4.25Å; A427-L631 HydrophobicContact CB-CD1 3.92Å; A427-I668 HydrophobicContact CB-CG2 3.7Å; A427-I669 WeakPolarHBondContact CA-O 3.45Å
428	A	93.9	Very high	82.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	153.9	-176.5	0	0	0	0	0	114.4	H614 A615 I668 I669 W680	A428-H614 WeakPolarHBondContact CA-O 3.49Å; A428-H614 WeakPolarHBondContact CB-O 3.44Å; A428-A615 HydrophobicContact CB-CB 4.44Å; A428-I668 CarbonylContact O-C 3.48Å; A428-I668 VanDerWaalsContact O-CA 3.3Å; A428-I668 WeakPolarHBondContact O-CA 3.36Å; A428-I669 HydrophobicContact CB-CG1 4.02Å; A428-I669 PolarHBondContact N-O 2.93Å; A428-I669 PolarHBondContact O-N 3.4Å; A428-W680 HydrophobicContact CB-CH2 3.05Å; A428-W680 HydrophobicContact CB-CZ2 3.17Å; A428-W680 HydrophobicContact CB-CZ3 4.08Å
429	E	92.4	Very high	81	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	137.4	174.9	-58.1	-166.6	110	0	0	110.8	Y431 S613 H614 F661 K662 T665 I668	E429-Y431 HydrophobicContact CB-CE1 4.12Å; E429-Y431 HydrophobicContact CB-CE2 4.28Å; E429-Y431 PolarHBondContact OE2-OH 2.98Å; E429-S613 WeakPolarHBondContact O-CB 3.26Å; E429-S613 PolarHBondContact O-OG 3.01Å; E429-H614 HydrophobicContact CB-CB 4.46Å; E429-H614 HydrophobicContact CG-CB 4.2Å; E429-H614 PolarHBondContact N-O 2.89Å; E429-H614 WeakPolarHBondContact OE2-CB 2.81Å; E429-H614 IonicContact OE2-CE1 2.83Å; E429-H614 IonicContact OE2-CG 2.87Å; E429-H614 IonicContact OE2-ND1 2.72Å; E429-H614 PolarHBondContact OE2-ND1 2.88Å; E429-F661 HydrophobicContact CG-CD1 4.19Å; E429-F661 WeakPolarHBondContact OE1-CA 3.49Å; E429-F661 WeakPolarHBondContact OE1-CB 3.49Å; E429-K662 PolarHBondContact OE1-N 3.47Å; E429-K662 WeakPolarHBondContact OE2-CG 3.47Å; E429-T665 HydrophobicContact CB-CG2 4.09Å; E429-T665 VanDerWaalsContact CD-OG1 3.24Å; E429-T665 HydrophobicContact CG-CG2 4.29Å; E429-T665 PolarHBondContact OE1-OG1 2.96Å; E429-I668 HydrophobicContact CG-CD1 4.26Å
430	S	88.9	Confident	80.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	131.6	173.6	-166.4	0	0	0	0	111.2	G438 V666 R667	S430-G438 WeakPolarHBondContact CA-O 3.27Å; S430-G438 VanDerWaalsContact CB-O 3.26Å; S430-G438 WeakPolarHBondContact CB-O 3.41Å; S430-G438 WeakPolarHBondContact OG-CA 3.18Å; S430-G438 PolarHBondContact OG-O 2.81Å; S430-V666 WeakPolarHBondContact O-CB 3.31Å; S430-V666 PolarHBondContact O-N 2.88Å; S430-R667 WeakPolarHBondContact CB-O 3.01Å; S430-R667 PolarHBondContact N-O 2.91Å; S430-R667 PolarHBondContact O-N 3.18Å
431	Y	82.6	Confident	80.3	Confident	16 Å²	16	33.6 Å²	33.6	6%	0.063	18%	0.184	C	C	.	.			trans	-110.1	-8.1	-171.1	-54.8	-66.2	0	0	0	113.8	E429 Y441 H614 K662 S664 T665	E429-Y431 HydrophobicContact CB-CE1 4.12Å; E429-Y431 HydrophobicContact CB-CE2 4.28Å; E429-Y431 PolarHBondContact OE2-OH 2.98Å; Y431-Y441 HydrophobicContact CD2-CD1 4.09Å; Y431-Y441 HydrophobicContact CD2-CG 4.31Å; Y431-Y441 AromaticContact CE2-CD1 3.7Å; Y431-Y441 HydrophobicContact CE2-CD1 3.7Å; Y431-Y441 HydrophobicContact CE2-CE1 4.44Å; Y431-Y441 HydrophobicContact CE2-CG 4.28Å; Y431-H614 PolarHBondContact OH-CE1 3.34Å; Y431-H614 VanDerWaalsContact OH-CE1 3.24Å; Y431-H614 PolarHBondContact OH-ND1 3.18Å; Y431-K662 HydrophobicContact CE1-CB 3.91Å; Y431-K662 HydrophobicContact CE1-CG 4.29Å; Y431-K662 WeakPolarHBondContact OH-CG 3.42Å; Y431-S664 WeakPolarHBondContact CD1-OG 3.35Å; Y431-S664 VanDerWaalsContact CE1-OG 3.22Å; Y431-S664 WeakPolarHBondContact CE1-OG 3.36Å; Y431-T665 WeakPolarHBondContact CE1-OG1 3.05Å
432	T	71.2	Confident	80	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.049	18%	0.18	C	C	.	.	S	Bend	trans	-126.6	127	-176	49.4	0	0	0	0	110.3	E435	T432-E435 WeakPolarHBondContact OG1-CB 3.19Å
433	E	62.3	Low	79.9	Confident	163 Å²	163	30.8 Å²	30.8	76%	0.762	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	136.3	170.2	-72.4	-168.7	169.6	0	0	110.5	E435 V666	E433-E435 VanDerWaalsContact C-N 3.28Å; E433-E435 PolarHBondContact O-N 3.44Å; E433-V666 HydrophobicContact CG-CG1 3.62Å
434	G	52.4	Low	79.8	Confident	79 Å²	79	30.7 Å²	30.7	81%	0.814	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	-10.5	172	0	0	0	0	0	116.7	R436	G434-R436 PolarHBondContact O-N 3.3Å
435	E	55.9	Low	79.9	Confident	32 Å²	32	29.4 Å²	29.4	15%	0.15	15%	0.154	C	C	.	.			trans	-78.6	119.9	169.7	-78.3	-178.2	-143.2	0	0	111.1	T432 E433 D437 G438 R604 R667	T432-E435 WeakPolarHBondContact OG1-CB 3.19Å; E433-E435 VanDerWaalsContact C-N 3.28Å; E433-E435 PolarHBondContact O-N 3.44Å; E435-D437 VanDerWaalsContact C-N 3.3Å; E435-D437 PolarHBondContact O-N 3.01Å; E435-G438 PolarHBondContact O-N 2.99Å; E435-R604 IonicContact OE1-CZ 2.81Å; E435-R604 IonicContact OE1-NH1 3.13Å; E435-R604 PolarHBondContact OE1-NH1 3.13Å; E435-R604 IonicContact OE1-NH2 2.86Å; E435-R604 PolarHBondContact OE1-NH2 3Å; E435-R667 PolarHBondContact O-NH2 3.18Å
436	R	49.6	Very low	80	Confident	195 Å²	195	29.4 Å²	29.4	74%	0.736	15%	0.154	S	C	*	.	S	Bend	trans	-62.1	-35.2	-178.5	-92.5	-175.4	-85.5	-154	-4.6	113.6	N122 G434	N122-R436 PolarHBondContact ND2-NH1 3.11Å; N122-R436 VanDerWaalsContact ND2-NH1 3.15Å; G434-R436 PolarHBondContact O-N 3.3Å
437	D	56.4	Low	80.1	Confident	81 Å²	81	29.3 Å²	29.3	43%	0.433	15%	0.153	S	C	.	.	S	Bend	trans	-68.5	-42.7	176.8	-81.6	-8.9	0	0	0	110	E435 S439 R610 I669	E435-D437 VanDerWaalsContact C-N 3.3Å; E435-D437 PolarHBondContact O-N 3.01Å; D437-S439 WeakPolarHBondContact O-CA 2.92Å; D437-S439 WeakPolarHBondContact O-CB 3.31Å; D437-S439 PolarHBondContact O-N 3.47Å; D437-S439 PolarHBondContact O-OG 3.35Å; D437-R610 IonicContact OD2-CZ 3.82Å; D437-R610 IonicContact OD2-NH1 3.11Å; D437-R610 IonicContact OD2-NH2 3.9Å; D437-R610 PolarHBondContact OD2-NH2 3.28Å; D437-I669 WeakPolarHBondContact O-CD1 3.43Å
438	G	59.4	Low	80.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.			trans	52.2	-9.7	179.8	0	0	0	0	0	116	S430 E435 S440 S613	S430-G438 WeakPolarHBondContact CA-O 3.27Å; S430-G438 VanDerWaalsContact CB-O 3.26Å; S430-G438 WeakPolarHBondContact CB-O 3.41Å; S430-G438 WeakPolarHBondContact OG-CA 3.18Å; S430-G438 PolarHBondContact OG-O 2.81Å; E435-G438 PolarHBondContact O-N 2.99Å; G438-S440 VanDerWaalsContact C-N 3.32Å; G438-S440 PolarHBondContact O-N 3.32Å; G438-S613 PolarHBondContact O-OG 3.39Å
439	S	71.6	Confident	80.3	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.042	18%	0.181	C	C	.	.	S	Bend	trans	-101.4	25	-166.2	72.6	0	0	0	0	109.9	D437 P612 S613 K674	D437-S439 WeakPolarHBondContact O-CA 2.92Å; D437-S439 WeakPolarHBondContact O-CB 3.31Å; D437-S439 PolarHBondContact O-N 3.47Å; D437-S439 PolarHBondContact O-OG 3.35Å; S439-P612 CarbonylContact O-C 3.54Å; S439-P612 WeakPolarHBondContact O-CA 3.47Å; S439-S613 VanDerWaalsContact C-CB 3.4Å; S439-S613 WeakPolarHBondContact CA-OG 3.42Å; S439-S613 PolarHBondContact O-N 3.02Å; S439-K674 PolarHBondContact OG-NZ 2.73Å
440	S	84.4	Confident	80.4	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.042	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.2	-178.7	64.1	0	0	0	0	111.7	G438 R610 V611 S613	G438-S440 VanDerWaalsContact C-N 3.32Å; G438-S440 PolarHBondContact O-N 3.32Å; S440-R610 PolarHBondContact OG-NE 3.48Å; S440-R610 PolarHBondContact OG-NH2 3.43Å; S440-V611 CarbonylContact C-O 3.5Å; S440-V611 WeakPolarHBondContact CA-O 3.43Å; S440-V611 VanDerWaalsContact CB-O 3.27Å; S440-V611 WeakPolarHBondContact CB-O 3.46Å; S440-S613 PolarHBondContact N-OG 3.49Å
441	Y	87.6	Confident	80.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	171	166.6	61.8	-87.4	0	0	0	110.1	D410 Y431 T473 A474 Y545 K563 V611 P612 H614	D410-Y441 PolarHBondContact OD2-OH 3.22Å; Y431-Y441 HydrophobicContact CD2-CD1 4.09Å; Y431-Y441 HydrophobicContact CD2-CG 4.31Å; Y431-Y441 AromaticContact CE2-CD1 3.7Å; Y431-Y441 HydrophobicContact CE2-CD1 3.7Å; Y431-Y441 HydrophobicContact CE2-CE1 4.44Å; Y431-Y441 HydrophobicContact CE2-CG 4.28Å; Y441-T473 VanDerWaalsContact OH-CB 3.31Å; Y441-T473 WeakPolarHBondContact OH-CB 3.27Å; Y441-A474 HydrophobicContact CE2-CB 3.87Å; Y441-Y545 PolarHBondContact OH-OH 3.07Å; Y441-K563 HydrophobicContact CD2-CB 3.61Å; Y441-K563 HydrophobicContact CE2-CB 3.96Å; Y441-K563 HydrophobicContact CG-CB 4.46Å; Y441-V611 HydrophobicContact CD1-CG2 4.18Å; Y441-V611 HydrophobicContact CD2-CG2 3.64Å; Y441-V611 HydrophobicContact CE1-CG2 3.91Å; Y441-V611 HydrophobicContact CE2-CG2 3.31Å; Y441-V611 HydrophobicContact CG-CG2 4.06Å; Y441-V611 VanDerWaalsContact CZ-CG2 3.46Å; Y441-V611 PolarHBondContact N-O 3.32Å; Y441-V611 WeakPolarHBondContact O-CG2 3.47Å; Y441-V611 PolarHBondContact O-N 3.35Å; Y441-P612 WeakPolarHBondContact CE1-O 3.42Å; Y441-H614 AromaticContact CE1-CD2 3.98Å; Y441-H614 AromaticContact CE1-NE2 3.96Å
442	Y	91.3	Very high	81	Confident	27 Å²	27	47.1 Å²	47.1	11%	0.106	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.9	177.2	-60.7	-86.6	0	0	0	110.4	K563 H564 Y603 R604 N607 R610	Y442-K563 CarbonylContact O-C 3.55Å; Y442-K563 WeakPolarHBondContact O-CA 3.47Å; Y442-H564 PolarHBondContact N-ND1 2.92Å; Y442-H564 PolarHBondContact O-N 3.45Å; Y442-H564 PolarHBondContact O-ND1 2.94Å; Y442-Y603 AromaticContact CD2-CD2 3.54Å; Y442-Y603 HydrophobicContact CD2-CD2 3.54Å; Y442-Y603 AromaticContact CD2-CE2 3.71Å; Y442-Y603 HydrophobicContact CD2-CE2 3.71Å; Y442-Y603 HydrophobicContact CE2-CD2 4.09Å; Y442-Y603 AromaticContact CE2-CE2 3.93Å; Y442-Y603 HydrophobicContact CE2-CE2 3.93Å; Y442-Y603 HydrophobicContact CG-CD2 4.02Å; Y442-R604 HydrophobicContact CE2-CG 4.24Å; Y442-N607 HydrophobicContact CD1-CB 4.11Å; Y442-N607 WeakPolarHBondContact CD1-ND2 3.49Å; Y442-R610 HydrophobicContact CD1-CB 4.05Å; Y442-R610 HydrophobicContact CD1-CG 4.36Å; Y442-R610 HydrophobicContact CE1-CB 3.96Å; Y442-R610 HydrophobicContact CE1-CG 4.06Å
443	A	94.6	Very high	82	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.5	169	0	0	0	0	0	109.1	A474 V478 N607 L608 A609 V611	A443-A474 HydrophobicContact CB-CB 3.68Å; A443-V478 HydrophobicContact CB-CB 4.17Å; A443-V478 HydrophobicContact CB-CG1 3.88Å; A443-V478 HydrophobicContact CB-CG2 4.12Å; A443-N607 WeakPolarHBondContact O-CB 3.07Å; A443-L608 PolarHBondContact O-N 3.49Å; A443-A609 PolarHBondContact N-O 3.5Å; A443-V611 HydrophobicContact CB-CG2 4.28Å
444	V	97.1	Very high	83.5	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.5	-172.4	-60.4	0	0	0	0	111.5	V446 F561 V562 H564 L590 N607	V444-V446 HydrophobicContact CG2-CG2 3.84Å; V444-F561 WeakPolarHBondContact O-CA 3.28Å; V444-V562 HydrophobicContact CG2-CG2 4.18Å; V444-V562 WeakPolarHBondContact CG2-O 3.3Å; V444-V562 PolarHBondContact N-O 3.23Å; V444-V562 PolarHBondContact O-N 3.11Å; V444-H564 HydrophobicContact CG1-CB 4.1Å; V444-L590 HydrophobicContact CB-CD2 4.02Å; V444-L590 HydrophobicContact CG1-CD1 4.25Å; V444-L590 HydrophobicContact CG2-CD2 4.08Å; V444-N607 HydrophobicContact CG1-CB 4.02Å
445	A	98.3	Very high	85.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111	170.1	0	0	0	0	0	109	L457 V559 F561 L590 L591 L608	A445-L457 HydrophobicContact CB-CD2 4.19Å; A445-V559 HydrophobicContact CB-CG2 4.13Å; A445-F561 HydrophobicContact CB-CD1 3.79Å; A445-F561 HydrophobicContact CB-CE1 3.67Å; A445-L590 CarbonylContact O-C 3.59Å; A445-L590 WeakPolarHBondContact O-CA 3.44Å; A445-L591 HydrophobicContact CB-CB 4.08Å; A445-L591 HydrophobicContact CB-CD1 4.46Å; A445-L591 PolarHBondContact O-N 2.99Å; A445-L608 HydrophobicContact CB-CD1 4.19Å; A445-L608 HydrophobicContact CB-CD2 4.4Å; A445-L608 HydrophobicContact CB-CG 4.4Å
446	V	98.6	Very high	87.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136	-176.5	-171.4	0	0	0	0	109.7	V444 F549 L552 V559 A560 V562 V567 F588 Q589 L590	V444-V446 HydrophobicContact CG2-CG2 3.84Å; V446-F549 HydrophobicContact CG1-CE2 4.22Å; V446-L552 HydrophobicContact CB-CD2 4.01Å; V446-L552 HydrophobicContact CG1-CD2 3.79Å; V446-L552 WeakPolarHBondContact O-CD2 3.38Å; V446-V559 CarbonylContact O-C 3.59Å; V446-V559 WeakPolarHBondContact O-CA 3.45Å; V446-A560 PolarHBondContact N-O 2.82Å; V446-A560 PolarHBondContact O-N 3.47Å; V446-V562 HydrophobicContact CG2-CG2 3.6Å; V446-V567 HydrophobicContact CG1-CG2 3.89Å; V446-V567 HydrophobicContact CG2-CG2 3.87Å; V446-F588 HydrophobicContact CG1-CB 3.89Å; V446-F588 HydrophobicContact CG1-CD1 4.1Å; V446-F588 HydrophobicContact CG1-CG 4.32Å; V446-Q589 WeakPolarHBondContact CA-O 3.39Å; V446-L590 HydrophobicContact CG2-CD2 3.92Å
447	V	98.3	Very high	89.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.9	175	-62.9	0	0	0	0	110.1	I454 V559 F588 Q589 L591	V447-I454 HydrophobicContact CG1-CG2 4.12Å; V447-V559 HydrophobicContact CG1-CB 4.07Å; V447-V559 HydrophobicContact CG1-CG2 3.99Å; V447-F588 CarbonylContact O-C 3.36Å; V447-F588 WeakPolarHBondContact O-CA 3.07Å; V447-Q589 HydrophobicContact CG2-CB 4.27Å; V447-Q589 PolarHBondContact N-O 3.35Å; V447-Q589 PolarHBondContact O-N 2.86Å; V447-L591 HydrophobicContact CG1-CD1 3.72Å; V447-L591 HydrophobicContact CG1-CD2 4.39Å; V447-L591 HydrophobicContact CG1-CG 3.9Å; V447-L591 HydrophobicContact CG2-CD2 4.24Å; V447-L591 HydrophobicContact CG2-CG 4.31Å
448	K	97.7	Very high	91.1	Very high	53 Å²	53	35.8 Å²	35.8	23%	0.23	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.4	170.6	-75.7	178.6	168.3	168.9	0	110.3	S450 N451 L552 A553 F588	K448-S450 PolarHBondContact O-N 2.91Å; K448-N451 PolarHBondContact O-N 2.9Å; K448-L552 WeakPolarHBondContact CE-O 3.45Å; K448-L552 HydrophobicContact CG-CD1 4.26Å; K448-L552 HydrophobicContact CG-CG 4.42Å; K448-L552 PolarHBondContact NZ-O 3.36Å; K448-A553 WeakPolarHBondContact CE-O 3.48Å; K448-A553 PolarHBondContact NZ-O 2.82Å; K448-F588 HydrophobicContact CG-CD1 4.23Å; K448-F588 HydrophobicContact CG-CE1 3.96Å
449	K	96.1	Very high	92.8	Very high	83 Å²	83	39.3 Å²	39.3	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.5	177.9	-168.3	163.7	-174.3	163.6	0	112.6	N451 T586 D587 Q589 E599	K449-N451 PolarHBondContact O-N 2.71Å; K449-T586 VanDerWaalsContact CD-O 3.24Å; K449-T586 WeakPolarHBondContact CD-O 3.47Å; K449-D587 VanDerWaalsContact CB-O 3.26Å; K449-D587 WeakPolarHBondContact CB-O 3.35Å; K449-D587 PolarHBondContact N-O 3.3Å; K449-Q589 HydrophobicContact CB-CG 4.02Å; K449-Q589 HydrophobicContact CD-CG 3.94Å; K449-Q589 HydrophobicContact CG-CG 3.89Å; K449-E599 VanDerWaalsContact NZ-CD 3.35Å; K449-E599 IonicContact NZ-OE1 3.3Å; K449-E599 PolarHBondContact NZ-OE1 3.27Å; K449-E599 IonicContact NZ-OE2 3.04Å; K449-E599 PolarHBondContact NZ-OE2 3.18Å; K449-E599 VanDerWaalsContact NZ-OE2 3.13Å
450	S	95	Very high	94	Very high	102 Å²	102	39 Å²	39	71%	0.713	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.7	175	56.8	0	0	0	0	113.6	K448 T452	K448-S450 PolarHBondContact O-N 2.91Å; S450-T452 PolarHBondContact O-N 3.08Å
451	N	93	Very high	94.6	Very high	50 Å²	50	44.2 Å²	44.2	27%	0.267	23%	0.231	S	C	.	.			trans	-84.3	93.5	174.8	-168.7	-20.1	0	0	0	110.3	K448 K449 G453 I454	K448-N451 PolarHBondContact O-N 2.9Å; K449-N451 PolarHBondContact O-N 2.71Å; N451-G453 VanDerWaalsContact C-N 3.27Å; N451-G453 PolarHBondContact O-N 3.49Å; N451-G453 PolarHBondContact OD1-N 3.34Å; N451-G453 VanDerWaalsContact OD1-N 3.12Å; N451-I454 WeakPolarHBondContact ND2-CD1 3.01Å
452	T	90.9	Very high	95	Very high	104 Å²	104	49.2 Å²	49.2	64%	0.638	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.5	-179.8	57.6	0	0	0	0	113.9	S450	S450-T452 PolarHBondContact O-N 3.08Å
453	G	91	Very high	95.3	Very high	48 Å²	48	48.5 Å²	48.5	50%	0.495	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-23.4	-179.8	0	0	0	0	0	113.6	N451	N451-G453 VanDerWaalsContact C-N 3.27Å; N451-G453 PolarHBondContact O-N 3.49Å; N451-G453 PolarHBondContact OD1-N 3.34Å; N451-G453 VanDerWaalsContact OD1-N 3.12Å
454	I	94.7	Very high	95.4	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.056	27%	0.272	C	S	.	.			trans	-101.2	113.2	-178.9	-56.9	173.7	0	0	0	109.4	V447 N451 D459 L460 D558 L591 K597	V447-I454 HydrophobicContact CG1-CG2 4.12Å; N451-I454 WeakPolarHBondContact ND2-CD1 3.01Å; I454-D459 HydrophobicContact CG2-CB 4.39Å; I454-L460 HydrophobicContact CD1-CD2 4.18Å; I454-L460 HydrophobicContact CG2-CD2 3.73Å; I454-D558 HydrophobicContact CD1-CB 3.72Å; I454-L591 HydrophobicContact CG2-CD1 3.91Å; I454-L591 HydrophobicContact CG2-CD2 4.01Å; I454-K597 PolarHBondContact O-NZ 3.33Å
455	R	92.1	Very high	95.5	Very high	170 Å²	170	52.1 Å²	52.1	64%	0.642	27%	0.272	S	S	*	.			trans	-118.1	-31.4	-179.8	-62.9	-174.2	169.2	116.8	-1.8	112.6	D459 K597	R455-D459 WeakPolarHBondContact CA-OD2 3.3Å; R455-D459 WeakPolarHBondContact CB-OD2 3.39Å; R455-D459 PolarHBondContact N-OD2 3.08Å; R455-K597 WeakPolarHBondContact O-CG 2.91Å
456	S	94.3	Very high	95.5	Very high	14 Å²	14	52.1 Å²	52.1	10%	0.098	27%	0.272	C	S	.	.	S	Bend	trans	-136.7	178.1	175.8	73.8	0	0	0	0	112	D458 D459	S456-D458 WeakPolarHBondContact CB-OD2 3.34Å; S456-D458 PolarHBondContact O-N 3.29Å; S456-D458 WeakPolarHBondContact OG-CB 3.25Å; S456-D458 PolarHBondContact OG-N 3.25Å; S456-D458 PolarHBondContact OG-OD2 3.24Å; S456-D459 PolarHBondContact N-OD2 2.88Å; S456-D459 PolarHBondContact O-N 3.11Å
457	L	93.8	Very high	95.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-64	-24.2	173.1	-63.5	172	0	0	0	112.5	A445 D459 L460 L488 L591 L608	A445-L457 HydrophobicContact CB-CD2 4.19Å; L457-D459 VanDerWaalsContact C-N 3.31Å; L457-L460 HydrophobicContact CB-CD1 4.43Å; L457-L460 HydrophobicContact CD2-CD1 3.71Å; L457-L460 VanDerWaalsContact O-CB 3.27Å; L457-L460 WeakPolarHBondContact O-CB 3.43Å; L457-L460 WeakPolarHBondContact O-CG 3.38Å; L457-L460 PolarHBondContact O-N 3.1Å; L457-L488 HydrophobicContact CB-CD1 4.11Å; L457-L591 HydrophobicContact CD2-CB 4.2Å; L457-L591 HydrophobicContact CD2-CD1 4.07Å; L457-L608 HydrophobicContact CD1-CD2 3.87Å; L457-L608 HydrophobicContact CD2-CD2 4.27Å
458	D	93.8	Very high	95.4	Very high	74 Å²	74	52.3 Å²	52.3	40%	0.396	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-65.1	-37.2	179.2	-49.2	-113.3	0	0	0	111.4	S456 L460 R461 R486 L488	S456-D458 WeakPolarHBondContact CB-OD2 3.34Å; S456-D458 PolarHBondContact O-N 3.29Å; S456-D458 WeakPolarHBondContact OG-CB 3.25Å; S456-D458 PolarHBondContact OG-N 3.25Å; S456-D458 PolarHBondContact OG-OD2 3.24Å; D458-L460 PolarHBondContact O-N 2.9Å; D458-R461 PolarHBondContact O-N 3.28Å; D458-R486 IonicContact OD2-NH1 3.17Å; D458-R486 PolarHBondContact OD2-NH1 3.1Å; D458-L488 HydrophobicContact CB-CD2 4.21Å
459	D	95.3	Very high	95.3	Very high	74 Å²	74	49.8 Å²	49.8	40%	0.396	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-71.1	-7.4	179.3	-58.2	-42.1	0	0	0	113	I454 R455 S456 L457 R461	I454-D459 HydrophobicContact CG2-CB 4.39Å; R455-D459 WeakPolarHBondContact CA-OD2 3.3Å; R455-D459 WeakPolarHBondContact CB-OD2 3.39Å; R455-D459 PolarHBondContact N-OD2 3.08Å; S456-D459 PolarHBondContact N-OD2 2.88Å; S456-D459 PolarHBondContact O-N 3.11Å; L457-D459 VanDerWaalsContact C-N 3.31Å; D459-R461 PolarHBondContact O-N 3.09Å
460	L	96.3	Very high	95.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-78.1	-7.4	178.4	-61.8	179.9	0	0	0	113.3	I454 L457 D458 N462 G463 F503 F504 V559 F561 L591	I454-L460 HydrophobicContact CD1-CD2 4.18Å; I454-L460 HydrophobicContact CG2-CD2 3.73Å; L457-L460 HydrophobicContact CB-CD1 4.43Å; L457-L460 HydrophobicContact CD2-CD1 3.71Å; L457-L460 VanDerWaalsContact O-CB 3.27Å; L457-L460 WeakPolarHBondContact O-CB 3.43Å; L457-L460 WeakPolarHBondContact O-CG 3.38Å; L457-L460 PolarHBondContact O-N 3.1Å; D458-L460 PolarHBondContact O-N 2.9Å; L460-N462 PolarHBondContact O-N 2.99Å; L460-G463 WeakPolarHBondContact O-CA 3.25Å; L460-G463 PolarHBondContact O-N 3.05Å; L460-F503 HydrophobicContact CB-CE1 3.76Å; L460-F503 HydrophobicContact CB-CZ 4.11Å; L460-F504 HydrophobicContact CB-CE1 3.93Å; L460-V559 HydrophobicContact CD1-CB 4.43Å; L460-V559 HydrophobicContact CD1-CG1 4.13Å; L460-V559 HydrophobicContact CD1-CG2 4.22Å; L460-V559 HydrophobicContact CD2-CB 3.8Å; L460-V559 HydrophobicContact CD2-CG1 3.83Å; L460-V559 HydrophobicContact CD2-CG2 4.3Å; L460-F561 HydrophobicContact CD1-CZ 4.11Å; L460-L591 HydrophobicContact CD1-CD1 3.98Å; L460-L591 HydrophobicContact CD2-CD1 4.02Å; L460-L591 HydrophobicContact CG-CD1 4.16Å
461	R	96.4	Very high	94.9	Very high	114 Å²	114	44.9 Å²	44.9	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	131.3	177.9	-174.7	177.5	-63.3	-76.6	-2	110.4	D458 D459 G463 L488 F503	D458-R461 PolarHBondContact O-N 3.28Å; D459-R461 PolarHBondContact O-N 3.09Å; R461-G463 PolarHBondContact O-N 2.05Å; R461-L488 PolarHBondContact NH2-O 3.43Å; R461-F503 WeakPolarHBondContact CA-O 3.13Å; R461-F503 HydrophobicContact CB-CD2 4.35Å; R461-F503 HydrophobicContact CB-CE2 3.82Å; R461-F503 HydrophobicContact CB-CZ 4.05Å; R461-F503 HydrophobicContact CG-CD2 4.37Å; R461-F503 HydrophobicContact CG-CE2 4.29Å
462	N	96.3	Very high	94.8	Very high	106 Å²	106	44.4 Å²	44.4	57%	0.567	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	15.6	-172	-49.2	-46.3	0	0	0	113.7	L460 F503 E505	L460-N462 PolarHBondContact O-N 2.99Å; N462-F503 PolarHBondContact N-O 2.88Å; N462-E505 WeakPolarHBondContact O-CB 3.12Å
463	G	97	Very high	94.9	Very high	11 Å²	11	39.4 Å²	39.4	11%	0.113	20%	0.195	C	C	.	.			trans	-83.5	179.5	171.3	0	0	0	0	0	112	L460 R461 E505	L460-G463 WeakPolarHBondContact O-CA 3.25Å; L460-G463 PolarHBondContact O-N 3.05Å; R461-G463 PolarHBondContact O-N 2.05Å; G463-E505 PolarHBondContact O-N 3.37Å
464	R	98.5	Very high	95	Very high	77 Å²	77	37.1 Å²	37.1	29%	0.291	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.7	177.3	-61.5	171.7	-61	153.5	2	110.7	K506 L524 G555 D556 D558 V559	R464-K506 VanDerWaalsContact CA-O 3.24Å; R464-K506 WeakPolarHBondContact CA-O 3.41Å; R464-L524 HydrophobicContact CB-CD1 3.78Å; R464-L524 HydrophobicContact CG-CD1 4.46Å; R464-G555 PolarHBondContact NH1-O 3.02Å; R464-G555 PolarHBondContact NH2-O 2.99Å; R464-D556 WeakPolarHBondContact CD-O 3.41Å; R464-D556 PolarHBondContact NH1-O 3.02Å; R464-D558 VanDerWaalsContact CB-OD2 3.29Å; R464-D558 WeakPolarHBondContact CB-OD2 3.09Å; R464-D558 IonicContact CZ-OD1 3.92Å; R464-D558 IonicContact CZ-OD2 3.44Å; R464-D558 PolarHBondContact N-OD2 3.21Å; R464-D558 IonicContact NE-OD1 2.69Å; R464-D558 IonicContact NE-OD2 3.05Å; R464-D558 PolarHBondContact NE-OD2 3.17Å; R464-D558 VanDerWaalsContact NE-OD2 3.11Å; R464-D558 IonicContact NH2-OD1 3.79Å; R464-D558 PolarHBondContact NH2-OD1 3.16Å; R464-D558 IonicContact NH2-OD2 2.9Å; R464-D558 PolarHBondContact O-N 2.92Å; R464-V559 PolarHBondContact O-N 2.79Å
465	S	98.6	Very high	95	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.3	-174.6	63.6	0	0	0	0	114.6	H467 F504 K506 S507 C508	S465-H467 VanDerWaalsContact CB-NE2 3.29Å; S465-H467 WeakPolarHBondContact CB-NE2 3.31Å; S465-H467 PolarHBondContact OG-CD2 3.21Å; S465-H467 PolarHBondContact OG-NE2 2.64Å; S465-F504 WeakPolarHBondContact OG-CG 3.5Å; S465-K506 PolarHBondContact N-O 2.95Å; S465-S507 CarbonylContact O-C 3.3Å; S465-S507 WeakPolarHBondContact O-CA 3.16Å; S465-S507 WeakPolarHBondContact O-CB 3.07Å; S465-S507 VanDerWaalsContact OG-CB 3.27Å; S465-S507 WeakPolarHBondContact OG-CB 3.38Å; S465-S507 PolarHBondContact OG-OG 3.24Å; S465-C508 PolarHBondContact O-N 3.01Å
466	C	98.8	Very high	95.1	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.5	176.9	-52.4	0	0	0	0	109.6	A548 C551 L552 V559 A560 F561	C466-A548 HydrophobicContact CB-CB 4.41Å; C466-A548 WeakPolarHBondContact CB-O 3.48Å; C466-C551 HydrophobicContact CB-CB 3.55Å; C466-C551 WeakPolarHBondContact CB-SG 3.38Å; C466-C551 WeakPolarHBondContact SG-CB 3.22Å; C466-C551 CovalentContact SG-SG 2.03Å; C466-C551 PolarHBondContact SG-SG 2.94Å; C466-L552 PolarHBondContact SG-N 3.21Å; C466-L552 VanDerWaalsContact SG-N 3.41Å; C466-V559 PolarHBondContact N-O 3.27Å; C466-A560 HydrophobicContact CB-CB 4.08Å; C466-A560 WeakPolarHBondContact O-CA 3.29Å; C466-F561 PolarHBondContact O-N 2.02Å
467	H	98.6	Very high	95	Very high	4 Å²	4	29 Å²	29	2%	0.019	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.6	-175.6	-62.5	-98.9	0	0	0	110.1	S465 G469 G475 C508 V509 F561	S465-H467 VanDerWaalsContact CB-NE2 3.29Å; S465-H467 WeakPolarHBondContact CB-NE2 3.31Å; S465-H467 PolarHBondContact OG-CD2 3.21Å; S465-H467 PolarHBondContact OG-NE2 2.64Å; H467-G469 PolarHBondContact O-N 3.42Å; H467-G475 VanDerWaalsContact CB-O 3.32Å; H467-G475 WeakPolarHBondContact CB-O 3.31Å; H467-G475 PolarHBondContact ND1-O 3.47Å; H467-C508 WeakPolarHBondContact CB-O 3.06Å; H467-C508 PolarHBondContact N-O 3.43Å; H467-V509 HydrophobicContact CB-CB 4.44Å; H467-V509 HydrophobicContact CB-CG1 4.38Å; H467-V509 HydrophobicContact CB-CG2 4.01Å; H467-F561 AromaticContact CE1-CD2 3.44Å; H467-F561 VanDerWaalsContact CE1-CD2 3.44Å; H467-F561 WeakPolarHBondContact CE1-CD2 3.39Å; H467-F561 AromaticContact CE1-CE2 3.59Å; H467-F561 AromaticContact ND1-CD2 3.61Å
468	T	96.3	Very high	95	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-62.5	-19.3	178	64.5	0	0	0	0	113.6	R472 G475 G544 Y545 A548 F561 V562	T468-R472 PolarHBondContact O-NH1 3.05Å; T468-R472 VanDerWaalsContact OG1-CB 3.31Å; T468-R472 WeakPolarHBondContact OG1-CB 3.44Å; T468-R472 WeakPolarHBondContact OG1-CD 3.37Å; T468-G475 WeakPolarHBondContact OG1-CA 3.4Å; T468-G544 WeakPolarHBondContact CA-O 3.35Å; T468-G544 PolarHBondContact O-N 2.91Å; T468-Y545 HydrophobicContact CG2-CD1 3.56Å; T468-Y545 HydrophobicContact CG2-CE1 3.78Å; T468-Y545 HydrophobicContact CG2-CG 4.2Å; T468-A548 HydrophobicContact CG2-CB 4.2Å; T468-F561 WeakPolarHBondContact CG2-O 3.23Å; T468-V562 HydrophobicContact CG2-CG1 4.33Å
469	G	94.6	Very high	95	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.			trans	138.4	152.8	-177.2	0	0	0	0	0	112.6	H467 G471 R472 P510	H467-G469 PolarHBondContact O-N 3.42Å; G469-G471 PolarHBondContact O-N 3.19Å; G469-R472 PolarHBondContact O-N 3.48Å; G469-P510 CarbonylContact C-O 3.59Å; G469-P510 VanDerWaalsContact CA-O 3.31Å; G469-P510 WeakPolarHBondContact CA-O 3.36Å
470	Y	93.1	Very high	94.9	Very high	66 Å²	66	22.7 Å²	22.7	26%	0.259	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.6	-176.7	179.3	-105.9	0	0	0	111.9	Y413 R472 W476 P497 P510 F517 K537	Y413-Y470 PolarHBondContact OH-O 3.25Å; Y470-R472 VanDerWaalsContact C-N 3.29Å; Y470-R472 PolarHBondContact O-N 3.27Å; Y470-W476 AromaticContact CD2-CD2 3.95Å; Y470-W476 HydrophobicContact CD2-CD2 3.95Å; Y470-W476 AromaticContact CD2-CE2 3.44Å; Y470-W476 VanDerWaalsContact CD2-CE2 3.44Å; Y470-W476 HydrophobicContact CD2-CG 4.38Å; Y470-W476 HydrophobicContact CD2-CH2 4.31Å; Y470-W476 AromaticContact CD2-CZ2 3.65Å; Y470-W476 HydrophobicContact CD2-CZ2 3.65Å; Y470-W476 AromaticContact CD2-NE1 3.58Å; Y470-W476 HydrophobicContact CE2-CD2 4.48Å; Y470-W476 AromaticContact CE2-CE2 3.55Å; Y470-W476 AromaticContact CE2-CZ2 3.61Å; Y470-W476 HydrophobicContact CE2-CZ2 3.61Å; Y470-W476 AromaticContact CE2-NE1 3.42Å; Y470-P497 HydrophobicContact CE2-CG 4.04Å; Y470-P510 PolarHBondContact N-O 3.12Å; Y470-F517 HydrophobicContact CD1-CE2 4.34Å; Y470-F517 AromaticContact CD2-CE2 3.77Å; Y470-F517 HydrophobicContact CD2-CE2 3.77Å; Y470-F517 HydrophobicContact CD2-CZ 4.49Å; Y470-F517 HydrophobicContact CE1-CE2 4.11Å; Y470-F517 HydrophobicContact CE1-CZ 4.07Å; Y470-F517 AromaticContact CE2-CE2 3.51Å; Y470-F517 HydrophobicContact CE2-CE2 3.51Å; Y470-F517 AromaticContact CE2-CZ 3.82Å; Y470-F517 HydrophobicContact CE2-CZ 3.82Å; Y470-F517 HydrophobicContact CG-CE2 4.18Å; Y470-F517 AromaticContact CZ-CE2 3.7Å; Y470-F517 AromaticContact CZ-CZ 3.58Å; Y470-K537 VanDerWaalsContact O-CE 3.25Å; Y470-K537 WeakPolarHBondContact O-CE 3.48Å; Y470-K537 PolarHBondContact O-NZ 3.09Å
471	G	88.9	Confident	94.6	Very high	16 Å²	16	23.4 Å²	23.4	17%	0.165	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	0.2	177.9	0	0	0	0	0	115.9	G412 G469 W476 N477	G412-G471 WeakPolarHBondContact CA-O 3.13Å; G469-G471 PolarHBondContact O-N 3.19Å; G471-W476 VanDerWaalsContact N-CD1 3.25Å; G471-N477 PolarHBondContact O-ND2 3.49Å
472	R	91.6	Very high	94.3	Very high	40 Å²	40	18.5 Å²	18.5	15%	0.151	10%	0.095	C	C	.	.			trans	-77.3	149.6	172.6	-72.8	-179.2	171.3	161.9	-0	110.9	Y413 T468 G469 Y470 W476 N477 D543	Y413-R472 HydrophobicContact CE2-CG 3.71Å; T468-R472 PolarHBondContact O-NH1 3.05Å; T468-R472 VanDerWaalsContact OG1-CB 3.31Å; T468-R472 WeakPolarHBondContact OG1-CB 3.44Å; T468-R472 WeakPolarHBondContact OG1-CD 3.37Å; G469-R472 PolarHBondContact O-N 3.48Å; Y470-R472 VanDerWaalsContact C-N 3.29Å; Y470-R472 PolarHBondContact O-N 3.27Å; R472-W476 WeakPolarHBondContact O-CA 3.28Å; R472-W476 WeakPolarHBondContact O-CB 3.39Å; R472-W476 PolarHBondContact O-N 3.31Å; R472-N477 PolarHBondContact O-N 2.84Å; R472-D543 IonicContact CZ-OD1 2.69Å; R472-D543 IonicContact CZ-OD2 2.71Å; R472-D543 VanDerWaalsContact NH1-CG 3.28Å; R472-D543 IonicContact NH1-OD1 2.61Å; R472-D543 PolarHBondContact NH1-OD1 3.49Å; R472-D543 VanDerWaalsContact NH1-OD1 3.17Å; R472-D543 IonicContact NH1-OD2 3.06Å; R472-D543 PolarHBondContact NH1-OD2 3.41Å; R472-D543 IonicContact NH2-OD1 3.78Å; R472-D543 IonicContact NH2-OD2 2.95Å; R472-D543 PolarHBondContact NH2-OD2 3.11Å
473	T	91.9	Very high	94.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-57	-71.1	-174.4	-52	0	0	0	0	112.7	D410 G411 G412 Y441 N477 V478 V611 Y685	D410-T473 VanDerWaalsContact CG-OG1 3.3Å; D410-T473 WeakPolarHBondContact OD1-CB 3.45Å; D410-T473 PolarHBondContact OD1-N 2.92Å; D410-T473 PolarHBondContact OD1-OG1 3.34Å; D410-T473 PolarHBondContact OD2-OG1 3.3Å; G411-T473 VanDerWaalsContact C-OG1 3.31Å; G411-T473 VanDerWaalsContact CA-OG1 3.29Å; G411-T473 WeakPolarHBondContact CA-OG1 3.46Å; G411-T473 PolarHBondContact N-OG1 2.9Å; G412-T473 PolarHBondContact N-OG1 3.35Å; Y441-T473 VanDerWaalsContact OH-CB 3.31Å; Y441-T473 WeakPolarHBondContact OH-CB 3.27Å; T473-N477 PolarHBondContact O-N 3.08Å; T473-V478 HydrophobicContact CG2-CG2 4.21Å; T473-V478 WeakPolarHBondContact O-CB 3.36Å; T473-V478 WeakPolarHBondContact O-CG2 3.43Å; T473-V478 PolarHBondContact O-N 2.93Å; T473-V611 HydrophobicContact CG2-CB 3.55Å; T473-V611 HydrophobicContact CG2-CG1 3.67Å; T473-V611 HydrophobicContact CG2-CG2 3.71Å; T473-Y685 HydrophobicContact CG2-CE2 3.68Å; T473-Y685 PolarHBondContact OG1-OH 2.82Å
474	A	93.4	Very high	93.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	I	π-helix	trans	-73.3	-32.1	-173.5	0	0	0	0	0	113.6	Y441 A443 P479 Y545	Y441-A474 HydrophobicContact CE2-CB 3.87Å; A443-A474 HydrophobicContact CB-CB 3.68Å; A474-P479 VanDerWaalsContact O-CD 3.22Å; A474-P479 WeakPolarHBondContact O-CD 3.47Å; A474-Y545 HydrophobicContact CB-CE1 3.91Å
475	G	95.6	Very high	93.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.097	C	C	.	.	I	π-helix	trans	-89.5	-14.2	-176.8	0	0	0	0	0	115.2	H467 T468 F561	H467-G475 VanDerWaalsContact CB-O 3.32Å; H467-G475 WeakPolarHBondContact CB-O 3.31Å; H467-G475 PolarHBondContact ND1-O 3.47Å; T468-G475 WeakPolarHBondContact OG1-CA 3.4Å; G475-F561 WeakPolarHBondContact CA-O 3.03Å
476	W	95.1	Very high	92.8	Very high	9 Å²	9	23 Å²	23	3%	0.034	11%	0.111	C	C	.	.	I	π-helix	trans	-136.6	-61.6	-177.6	-175.6	-99.5	0	0	0	113.4	Y470 G471 R472 V478 P479 A480 V496 P497 V500 V509 L521	Y470-W476 AromaticContact CD2-CD2 3.95Å; Y470-W476 HydrophobicContact CD2-CD2 3.95Å; Y470-W476 AromaticContact CD2-CE2 3.44Å; Y470-W476 VanDerWaalsContact CD2-CE2 3.44Å; Y470-W476 HydrophobicContact CD2-CG 4.38Å; Y470-W476 HydrophobicContact CD2-CH2 4.31Å; Y470-W476 AromaticContact CD2-CZ2 3.65Å; Y470-W476 HydrophobicContact CD2-CZ2 3.65Å; Y470-W476 AromaticContact CD2-NE1 3.58Å; Y470-W476 HydrophobicContact CE2-CD2 4.48Å; Y470-W476 AromaticContact CE2-CE2 3.55Å; Y470-W476 AromaticContact CE2-CZ2 3.61Å; Y470-W476 HydrophobicContact CE2-CZ2 3.61Å; Y470-W476 AromaticContact CE2-NE1 3.42Å; G471-W476 VanDerWaalsContact N-CD1 3.25Å; R472-W476 WeakPolarHBondContact O-CA 3.28Å; R472-W476 WeakPolarHBondContact O-CB 3.39Å; R472-W476 PolarHBondContact O-N 3.31Å; W476-V478 PolarHBondContact O-N 3.49Å; W476-P479 WeakPolarHBondContact O-CD 3.31Å; W476-P479 WeakPolarHBondContact O-CG 3.19Å; W476-A480 WeakPolarHBondContact O-CB 3.33Å; W476-A480 PolarHBondContact O-N 3.42Å; W476-V496 HydrophobicContact CZ2-CG1 4.31Å; W476-P497 HydrophobicContact CZ2-CB 4.45Å; W476-P497 HydrophobicContact CZ2-CG 4.23Å; W476-V500 HydrophobicContact CH2-CB 4.07Å; W476-V500 HydrophobicContact CH2-CG1 4.03Å; W476-V500 HydrophobicContact CH2-CG2 4.16Å; W476-V500 HydrophobicContact CZ3-CB 4.49Å; W476-V500 HydrophobicContact CZ3-CG1 3.96Å; W476-V509 HydrophobicContact CD2-CG1 4.44Å; W476-V509 HydrophobicContact CE3-CG1 3.59Å; W476-V509 HydrophobicContact CE3-CG2 4.31Å; W476-V509 HydrophobicContact CH2-CG1 4.49Å; W476-V509 HydrophobicContact CZ3-CB 4.36Å; W476-V509 HydrophobicContact CZ3-CG1 3.63Å; W476-V509 HydrophobicContact CZ3-CG2 3.84Å; W476-L521 HydrophobicContact CH2-CD1 4.28Å
477	N	91.8	Very high	92.4	Very high	16 Å²	16	26 Å²	26	9%	0.086	14%	0.142	C	C	.	.	I	π-helix	trans	-62.5	-50.9	-171.7	-64	-8.6	0	0	0	111.8	G471 R472 T473 S481 Y685 L692	G471-N477 PolarHBondContact O-ND2 3.49Å; R472-N477 PolarHBondContact O-N 2.84Å; T473-N477 PolarHBondContact O-N 3.08Å; N477-S481 VanDerWaalsContact O-CB 3.27Å; N477-S481 WeakPolarHBondContact O-CB 3.38Å; N477-S481 PolarHBondContact O-N 3.3Å; N477-Y685 PolarHBondContact ND2-OH 2.82Å; N477-L692 HydrophobicContact CB-CD1 3.92Å
478	V	92.4	Very high	92.1	Very high	11 Å²	11	26.8 Å²	26.8	7%	0.067	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-52.2	179	173.8	0	0	0	0	112.6	A443 T473 W476 A480 S481 A482 L608 A609 V611	A443-V478 HydrophobicContact CB-CB 4.17Å; A443-V478 HydrophobicContact CB-CG1 3.88Å; A443-V478 HydrophobicContact CB-CG2 4.12Å; T473-V478 HydrophobicContact CG2-CG2 4.21Å; T473-V478 WeakPolarHBondContact O-CB 3.36Å; T473-V478 WeakPolarHBondContact O-CG2 3.43Å; T473-V478 PolarHBondContact O-N 2.93Å; W476-V478 PolarHBondContact O-N 3.49Å; V478-A480 PolarHBondContact O-N 3.38Å; V478-S481 PolarHBondContact O-N 3.29Å; V478-A482 WeakPolarHBondContact O-CB 3.26Å; V478-A482 PolarHBondContact O-N 3.42Å; V478-L608 HydrophobicContact CG1-CB 3.47Å; V478-L608 VanDerWaalsContact CG1-CB 3.47Å; V478-L608 HydrophobicContact CG1-CD1 4.17Å; V478-L608 HydrophobicContact CG1-CG 4.49Å; V478-A609 HydrophobicContact CG1-CB 3.81Å; V478-A609 HydrophobicContact CG2-CB 4.22Å; V478-V611 HydrophobicContact CG2-CG1 3.52Å
479	P	94.1	Very high	92	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.013	15%	0.149	C	C	.	.	H	α-helix	trans	-65.8	-36.3	-179.6	22.8	-33	0	0	0	112.8	A474 W476 A482 L483 F561 L608	A474-P479 VanDerWaalsContact O-CD 3.22Å; A474-P479 WeakPolarHBondContact O-CD 3.47Å; W476-P479 WeakPolarHBondContact O-CD 3.31Å; W476-P479 WeakPolarHBondContact O-CG 3.19Å; P479-A482 PolarHBondContact O-N 2.96Å; P479-L483 VanDerWaalsContact O-CG 3.26Å; P479-L483 WeakPolarHBondContact O-CG 3.44Å; P479-L483 PolarHBondContact O-N 3.12Å; P479-F561 HydrophobicContact CB-CB 4.37Å; P479-F561 HydrophobicContact CB-CD1 3.5Å; P479-F561 HydrophobicContact CB-CD2 4.14Å; P479-F561 HydrophobicContact CB-CE1 3.65Å; P479-F561 HydrophobicContact CB-CE2 4.27Å; P479-F561 HydrophobicContact CB-CG 3.74Å; P479-F561 HydrophobicContact CB-CZ 4.04Å; P479-F561 HydrophobicContact CG-CB 4Å; P479-F561 HydrophobicContact CG-CD1 4.08Å; P479-F561 HydrophobicContact CG-CD2 4.32Å; P479-F561 HydrophobicContact CG-CG 3.88Å; P479-L608 HydrophobicContact CB-CD1 4.22Å
480	A	93.4	Very high	91.8	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.025	18%	0.183	C	C	.	.	H	α-helix	trans	-62.4	-48	174.4	0	0	0	0	0	111.4	W476 V478 A482 L483 I484 V496 V500 L692	W476-A480 WeakPolarHBondContact O-CB 3.33Å; W476-A480 PolarHBondContact O-N 3.42Å; V478-A480 PolarHBondContact O-N 3.38Å; A480-A482 PolarHBondContact O-N 3.34Å; A480-L483 PolarHBondContact O-N 3.48Å; A480-I484 VanDerWaalsContact O-CG1 3.28Å; A480-I484 WeakPolarHBondContact O-CG1 3.39Å; A480-I484 PolarHBondContact O-N 2.92Å; A480-V496 HydrophobicContact CB-CG1 3.92Å; A480-V500 HydrophobicContact CB-CG2 4.39Å; A480-L692 HydrophobicContact CB-CD2 4.12Å
481	S	90.1	Very high	91.5	Very high	17 Å²	17	30.7 Å²	30.7	12%	0.119	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-46.1	175	160.9	0	0	0	0	111.7	N477 V478 L483 I484 E485	N477-S481 VanDerWaalsContact O-CB 3.27Å; N477-S481 WeakPolarHBondContact O-CB 3.38Å; N477-S481 PolarHBondContact O-N 3.3Å; V478-S481 PolarHBondContact O-N 3.29Å; S481-L483 VanDerWaalsContact C-N 3.3Å; S481-L483 PolarHBondContact O-N 2.86Å; S481-I484 PolarHBondContact O-N 3.3Å; S481-I484 VanDerWaalsContact O-N 3.08Å; S481-E485 WeakPolarHBondContact O-CG 3.44Å; S481-E485 PolarHBondContact O-N 3.28Å; S481-E485 PolarHBondContact OG-OE1 3.45Å
482	A	90.8	Very high	91.2	Very high	11 Å²	11	37.8 Å²	37.8	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-35.1	178.3	0	0	0	0	0	113.3	V478 P479 A480 R486	V478-A482 WeakPolarHBondContact O-CB 3.26Å; V478-A482 PolarHBondContact O-N 3.42Å; P479-A482 PolarHBondContact O-N 2.96Å; A480-A482 PolarHBondContact O-N 3.34Å; A482-R486 WeakPolarHBondContact O-CB 3.28Å; A482-R486 WeakPolarHBondContact O-CG 3.43Å; A482-R486 PolarHBondContact O-N 3.06Å
483	L	92.8	Very high	90.7	Very high	4 Å²	4	43 Å²	43	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-71.3	-36.4	174.4	-68.1	174.6	0	0	0	112.1	P479 A480 S481 G487 L488 I489 F503 F504	P479-L483 VanDerWaalsContact O-CG 3.26Å; P479-L483 WeakPolarHBondContact O-CG 3.44Å; P479-L483 PolarHBondContact O-N 3.12Å; A480-L483 PolarHBondContact O-N 3.48Å; S481-L483 VanDerWaalsContact C-N 3.3Å; S481-L483 PolarHBondContact O-N 2.86Å; L483-G487 PolarHBondContact O-N 2.78Å; L483-L488 HydrophobicContact CB-CB 4.48Å; L483-L488 HydrophobicContact CD2-CB 4.14Å; L483-L488 HydrophobicContact CD2-CD1 3.72Å; L483-L488 WeakPolarHBondContact O-CB 3.37Å; L483-L488 PolarHBondContact O-N 3.3Å; L483-I489 HydrophobicContact CB-CD1 3.72Å; L483-I489 HydrophobicContact CB-CG1 3.74Å; L483-I489 HydrophobicContact CB-CG2 4.29Å; L483-I489 HydrophobicContact CD1-CD1 4.27Å; L483-I489 PolarHBondContact O-N 3.41Å; L483-F503 HydrophobicContact CD1-CD1 4.1Å; L483-F503 HydrophobicContact CD1-CE1 4.25Å; L483-F503 HydrophobicContact CD2-CD1 4.49Å; L483-F503 HydrophobicContact CD2-CE1 3.91Å; L483-F503 HydrophobicContact CD2-CZ 3.94Å; L483-F504 HydrophobicContact CD1-CE2 3.92Å; L483-F504 HydrophobicContact CD1-CZ 4.19Å
484	I	90.4	Very high	90	Very high	59 Å²	59	45.5 Å²	45.5	30%	0.303	26%	0.255	S	S	.	.	H	α-helix	trans	-67.8	-50.2	176.6	-67.5	164.2	0	0	0	110.5	A480 S481 R486 G487 I489 P491 L692	A480-I484 VanDerWaalsContact O-CG1 3.28Å; A480-I484 WeakPolarHBondContact O-CG1 3.39Å; A480-I484 PolarHBondContact O-N 2.92Å; S481-I484 PolarHBondContact O-N 3.3Å; S481-I484 VanDerWaalsContact O-N 3.08Å; I484-R486 PolarHBondContact O-N 3.17Å; I484-G487 WeakPolarHBondContact O-CA 3.25Å; I484-G487 PolarHBondContact O-N 3.37Å; I484-I489 HydrophobicContact CG1-CD1 3.89Å; I484-I489 HydrophobicContact CG1-CG1 3.63Å; I484-P491 HydrophobicContact CD1-CG 3.82Å; I484-P491 HydrophobicContact CG1-CG 4Å; I484-L692 HydrophobicContact CD1-CD2 3.8Å
485	E	86.6	Confident	89.8	Confident	149 Å²	149	50 Å²	50	70%	0.696	28%	0.276	S	S	*	.	H	α-helix	trans	-61	-32.8	-178.1	-73.4	176.8	-175.9	0	0	112.5	S481 G487	S481-E485 WeakPolarHBondContact O-CG 3.44Å; S481-E485 PolarHBondContact O-N 3.28Å; S481-E485 PolarHBondContact OG-OE1 3.45Å; E485-G487 VanDerWaalsContact C-N 3.27Å; E485-G487 PolarHBondContact O-N 3.34Å
486	R	88.4	Confident	89.6	Confident	77 Å²	77	50.4 Å²	50.4	29%	0.291	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.6	174.5	-73.8	174.4	143.1	-121.7	-6.5	113.8	D458 A482 I484 L488 S593 G595	D458-R486 IonicContact OD2-NH1 3.17Å; D458-R486 PolarHBondContact OD2-NH1 3.1Å; A482-R486 WeakPolarHBondContact O-CB 3.28Å; A482-R486 WeakPolarHBondContact O-CG 3.43Å; A482-R486 PolarHBondContact O-N 3.06Å; I484-R486 PolarHBondContact O-N 3.17Å; R486-L488 HydrophobicContact CB-CD1 4.15Å; R486-L488 HydrophobicContact CB-CG 3.97Å; R486-L488 PolarHBondContact O-N 2.82Å; R486-S593 PolarHBondContact NE-O 3.26Å; R486-S593 VanDerWaalsContact NH2-C 3.27Å; R486-S593 PolarHBondContact NH2-O 3.07Å; R486-G595 VanDerWaalsContact NH2-N 3.12Å
487	G	90.9	Very high	89.5	Confident	62 Å²	62	50.3 Å²	50.3	64%	0.639	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	18.3	-175.7	0	0	0	0	0	113.9	L483 I484 E485	L483-G487 PolarHBondContact O-N 2.78Å; I484-G487 WeakPolarHBondContact O-CA 3.25Å; I484-G487 PolarHBondContact O-N 3.37Å; E485-G487 VanDerWaalsContact C-N 3.27Å; E485-G487 PolarHBondContact O-N 3.34Å
488	L	92.7	Very high	89.7	Confident	20 Å²	20	52.3 Å²	52.3	11%	0.105	29%	0.288	C	S	.	.	S	Bend	trans	-76	-30.3	178.2	-67.6	177.3	0	0	0	111.7	L457 D458 R461 L483 R486 F503	L457-L488 HydrophobicContact CB-CD1 4.11Å; D458-L488 HydrophobicContact CB-CD2 4.21Å; R461-L488 PolarHBondContact NH2-O 3.43Å; L483-L488 HydrophobicContact CB-CB 4.48Å; L483-L488 HydrophobicContact CD2-CB 4.14Å; L483-L488 HydrophobicContact CD2-CD1 3.72Å; L483-L488 WeakPolarHBondContact O-CB 3.37Å; L483-L488 PolarHBondContact O-N 3.3Å; R486-L488 HydrophobicContact CB-CD1 4.15Å; R486-L488 HydrophobicContact CB-CG 3.97Å; R486-L488 PolarHBondContact O-N 2.82Å; L488-F503 HydrophobicContact CB-CD2 4.45Å; L488-F503 HydrophobicContact CB-CE2 3.86Å; L488-F503 HydrophobicContact CB-CZ 4.45Å; L488-F503 HydrophobicContact CD1-CZ 4.43Å
489	I	93.1	Very high	89.8	Confident	11 Å²	11	52.6 Å²	52.6	6%	0.056	29%	0.292	C	S	.	.			trans	-129.3	150.1	169.8	69.4	179.9	0	0	0	110	L483 I484 A499 V500 F503	L483-I489 HydrophobicContact CB-CD1 3.72Å; L483-I489 HydrophobicContact CB-CG1 3.74Å; L483-I489 HydrophobicContact CB-CG2 4.29Å; L483-I489 HydrophobicContact CD1-CD1 4.27Å; L483-I489 PolarHBondContact O-N 3.41Å; I484-I489 HydrophobicContact CG1-CD1 3.89Å; I484-I489 HydrophobicContact CG1-CG1 3.63Å; I489-A499 HydrophobicContact CB-CB 4.21Å; I489-A499 HydrophobicContact CD1-CB 4.24Å; I489-V500 HydrophobicContact CD1-CG2 3.89Å; I489-F503 HydrophobicContact CG2-CB 3.48Å; I489-F503 VanDerWaalsContact CG2-CB 3.48Å; I489-F503 HydrophobicContact CG2-CD2 3.66Å; I489-F503 HydrophobicContact CG2-CG 3.67Å
490	S	90.1	Very high	89.9	Confident	104 Å²	104	52.7 Å²	52.7	73%	0.727	29%	0.292	S	S	*	.			trans	-134.9	93	175	-177.5	0	0	0	0	108.4	K492	S490-K492 PolarHBondContact O-N 3.49Å
491	P	86.8	Confident	90	Very high	33 Å²	33	53 Å²	53	21%	0.214	30%	0.296	C	S	.	.			trans	-57.1	122.4	176.7	-21.3	31.6	0	0	0	111.1	I484 V496 A499	I484-P491 HydrophobicContact CD1-CG 3.82Å; I484-P491 HydrophobicContact CG1-CG 4Å; P491-V496 HydrophobicContact CB-CG2 4.23Å; P491-V496 HydrophobicContact CG-CG2 4.03Å; P491-A499 HydrophobicContact CB-CB 4.03Å; P491-A499 HydrophobicContact CG-CB 3.8Å
492	K	83.9	Confident	90.3	Very high	166 Å²	166	54.9 Å²	54.9	72%	0.722	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-84.7	138.5	169.1	-65.5	-173.3	179.2	-177.2	0	108.5	S490 C494 Q495	S490-K492 PolarHBondContact O-N 3.49Å; K492-C494 PolarHBondContact O-N 2.94Å; K492-Q495 WeakPolarHBondContact O-CB 3.26Å; K492-Q495 PolarHBondContact O-N 3.38Å
493	D	81.6	Confident	90.7	Very high	148 Å²	148	54.4 Å²	54.4	79%	0.791	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	48.8	33	179.4	-51.6	-47.4	0	0	0	113	Q495	D493-Q495 PolarHBondContact O-N 2.75Å; D493-Q495 VanDerWaalsContact O-N 3.17Å
494	C	77.1	Confident	90.9	Very high	54 Å²	54	54.4 Å²	54.4	37%	0.365	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	60.7	23.2	180	-48.8	0	0	0	0	115.3	K492 V496 C694	K492-C494 PolarHBondContact O-N 2.94Å; C494-V496 PolarHBondContact O-N 3.13Å; C494-C694 HydrophobicContact CB-CB 3.18Å; C494-C694 WeakPolarHBondContact CB-SG 3.45Å; C494-C694 WeakPolarHBondContact SG-CB 3.47Å; C494-C694 CovalentContact SG-SG 1.98Å; C494-C694 PolarHBondContact SG-SG 3.37Å
495	Q	87.7	Confident	91.3	Very high	94 Å²	94	56.8 Å²	56.8	44%	0.439	32%	0.324	S	S	.	.			trans	-79.6	68.2	176.4	-70.1	-165.8	-8.5	0	0	110.8	K492 D493 Q498 A499	K492-Q495 WeakPolarHBondContact O-CB 3.26Å; K492-Q495 PolarHBondContact O-N 3.38Å; D493-Q495 PolarHBondContact O-N 2.75Å; D493-Q495 VanDerWaalsContact O-N 3.17Å; Q495-Q498 HydrophobicContact CB-CB 3.95Å; Q495-Q498 HydrophobicContact CB-CG 4.01Å; Q495-Q498 WeakPolarHBondContact O-CB 3.21Å; Q495-Q498 PolarHBondContact O-N 2.89Å; Q495-Q498 PolarHBondContact O-OE1 3.33Å; Q495-A499 PolarHBondContact O-N 3.05Å
496	V	91.6	Very high	91.8	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-57.5	-46.5	179.6	178.4	0	0	0	0	112	W476 A480 P491 C494 Q498 A499 V500 L692	W476-V496 HydrophobicContact CZ2-CG1 4.31Å; A480-V496 HydrophobicContact CB-CG1 3.92Å; P491-V496 HydrophobicContact CB-CG2 4.23Å; P491-V496 HydrophobicContact CG-CG2 4.03Å; C494-V496 PolarHBondContact O-N 3.13Å; V496-Q498 PolarHBondContact O-N 3.1Å; V496-A499 PolarHBondContact O-N 3.3Å; V496-A499 VanDerWaalsContact O-N 3.14Å; V496-V500 HydrophobicContact CG1-CG2 4.11Å; V496-V500 WeakPolarHBondContact O-CG2 3.37Å; V496-V500 PolarHBondContact O-N 3.42Å; V496-L692 HydrophobicContact CG1-CD2 4.04Å; V496-L692 HydrophobicContact CG2-CD2 3.8Å
497	P	94.1	Very high	92.3	Very high	8 Å²	8	50 Å²	50	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-55.1	-38.6	176.5	-25.1	34.2	0	0	0	113.1	Y470 W476 G501 F517 P518 L521	Y470-P497 HydrophobicContact CE2-CG 4.04Å; W476-P497 HydrophobicContact CZ2-CB 4.45Å; W476-P497 HydrophobicContact CZ2-CG 4.23Å; P497-G501 PolarHBondContact O-N 3.1Å; P497-F517 HydrophobicContact CB-CD1 4.27Å; P497-F517 HydrophobicContact CB-CD2 3.9Å; P497-F517 HydrophobicContact CB-CE1 4.39Å; P497-F517 HydrophobicContact CB-CE2 4.05Å; P497-F517 HydrophobicContact CB-CG 4.03Å; P497-F517 HydrophobicContact CB-CZ 4.29Å; P497-F517 HydrophobicContact CG-CD1 4.23Å; P497-F517 HydrophobicContact CG-CD2 4.07Å; P497-F517 HydrophobicContact CG-CE1 3.86Å; P497-F517 HydrophobicContact CG-CE2 3.69Å; P497-F517 HydrophobicContact CG-CG 4.34Å; P497-F517 HydrophobicContact CG-CZ 3.57Å; P497-P518 WeakPolarHBondContact O-CG 3.43Å; P497-L521 HydrophobicContact CB-CD1 3.94Å
498	Q	94.8	Very high	92.7	Very high	57 Å²	57	47.1 Å²	47.1	27%	0.266	26%	0.264	S	S	.	.	H	α-helix	trans	-70.1	-40.9	179.3	-66.3	73.3	1	0	0	111.5	Q495 V496 G501 G502 G516 P518	Q495-Q498 HydrophobicContact CB-CB 3.95Å; Q495-Q498 HydrophobicContact CB-CG 4.01Å; Q495-Q498 WeakPolarHBondContact O-CB 3.21Å; Q495-Q498 PolarHBondContact O-N 2.89Å; Q495-Q498 PolarHBondContact O-OE1 3.33Å; V496-Q498 PolarHBondContact O-N 3.1Å; Q498-G501 PolarHBondContact O-N 3.36Å; Q498-G502 PolarHBondContact O-N 3Å; Q498-G516 PolarHBondContact NE2-O 2.88Å; Q498-P518 HydrophobicContact CB-CG 4.41Å; Q498-P518 HydrophobicContact CG-CG 4.19Å
499	A	95.1	Very high	92.9	Very high	18 Å²	18	46.2 Å²	46.2	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-43.5	176	0	0	0	0	0	112	I489 P491 Q495 V496 G502 F503	I489-A499 HydrophobicContact CB-CB 4.21Å; I489-A499 HydrophobicContact CD1-CB 4.24Å; P491-A499 HydrophobicContact CB-CB 4.03Å; P491-A499 HydrophobicContact CG-CB 3.8Å; Q495-A499 PolarHBondContact O-N 3.05Å; V496-A499 PolarHBondContact O-N 3.3Å; V496-A499 VanDerWaalsContact O-N 3.14Å; A499-G502 PolarHBondContact O-N 2.02Å; A499-F503 PolarHBondContact O-N 3.3Å
500	V	95.9	Very high	93.1	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-46.1	175.6	174.4	0	0	0	0	110.6	W476 A480 I489 V496 G502 F503 F504 L521	W476-V500 HydrophobicContact CH2-CB 4.07Å; W476-V500 HydrophobicContact CH2-CG1 4.03Å; W476-V500 HydrophobicContact CH2-CG2 4.16Å; W476-V500 HydrophobicContact CZ3-CB 4.49Å; W476-V500 HydrophobicContact CZ3-CG1 3.96Å; A480-V500 HydrophobicContact CB-CG2 4.39Å; I489-V500 HydrophobicContact CD1-CG2 3.89Å; V496-V500 HydrophobicContact CG1-CG2 4.11Å; V496-V500 WeakPolarHBondContact O-CG2 3.37Å; V496-V500 PolarHBondContact O-N 3.42Å; V500-G502 PolarHBondContact O-N 3.49Å; V500-F503 PolarHBondContact O-N 2.52Å; V500-F504 HydrophobicContact CG1-CD2 3.79Å; V500-F504 HydrophobicContact CG1-CE2 4.05Å; V500-F504 PolarHBondContact O-N 3.27Å; V500-L521 HydrophobicContact CG1-CD2 4.13Å
501	G	96.1	Very high	93.2	Very high	9 Å²	9	41 Å²	41	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-65.5	-22.6	177	0	0	0	0	0	114	P497 Q498 F504 N520	P497-G501 PolarHBondContact O-N 3.1Å; Q498-G501 PolarHBondContact O-N 3.36Å; G501-F504 VanDerWaalsContact O-O 3.08Å; G501-N520 PolarHBondContact O-ND2 3.23Å
502	G	96.3	Very high	93.6	Very high	58 Å²	58	39.6 Å²	39.6	60%	0.598	22%	0.216	S	C	*	.	H	α-helix	trans	-85.1	-13.2	170.9	0	0	0	0	0	114.3	Q498 A499 V500	Q498-G502 PolarHBondContact O-N 3Å; A499-G502 PolarHBondContact O-N 2.02Å; V500-G502 PolarHBondContact O-N 3.49Å
503	F	97.8	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-93.1	-42.2	178.3	-179	-94.3	0	0	0	112.4	L460 R461 N462 L483 L488 I489 A499 V500	L460-F503 HydrophobicContact CB-CE1 3.76Å; L460-F503 HydrophobicContact CB-CZ 4.11Å; R461-F503 WeakPolarHBondContact CA-O 3.13Å; R461-F503 HydrophobicContact CB-CD2 4.35Å; R461-F503 HydrophobicContact CB-CE2 3.82Å; R461-F503 HydrophobicContact CB-CZ 4.05Å; R461-F503 HydrophobicContact CG-CD2 4.37Å; R461-F503 HydrophobicContact CG-CE2 4.29Å; N462-F503 PolarHBondContact N-O 2.88Å; L483-F503 HydrophobicContact CD1-CD1 4.1Å; L483-F503 HydrophobicContact CD1-CE1 4.25Å; L483-F503 HydrophobicContact CD2-CD1 4.49Å; L483-F503 HydrophobicContact CD2-CE1 3.91Å; L483-F503 HydrophobicContact CD2-CZ 3.94Å; L488-F503 HydrophobicContact CB-CD2 4.45Å; L488-F503 HydrophobicContact CB-CE2 3.86Å; L488-F503 HydrophobicContact CB-CZ 4.45Å; L488-F503 HydrophobicContact CD1-CZ 4.43Å; I489-F503 HydrophobicContact CG2-CB 3.48Å; I489-F503 VanDerWaalsContact CG2-CB 3.48Å; I489-F503 HydrophobicContact CG2-CD2 3.66Å; I489-F503 HydrophobicContact CG2-CG 3.67Å; A499-F503 PolarHBondContact O-N 3.3Å; V500-F503 PolarHBondContact O-N 2.52Å
504	F	98.3	Very high	94.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.018	19%	0.187	C	C	.	.	S	Bend	trans	-94.5	144.7	175.7	-64.5	-73.8	0	0	0	111	L460 S465 L483 V500 G501 N520 V559 F561	L460-F504 HydrophobicContact CB-CE1 3.93Å; S465-F504 WeakPolarHBondContact OG-CG 3.5Å; L483-F504 HydrophobicContact CD1-CE2 3.92Å; L483-F504 HydrophobicContact CD1-CZ 4.19Å; V500-F504 HydrophobicContact CG1-CD2 3.79Å; V500-F504 HydrophobicContact CG1-CE2 4.05Å; V500-F504 PolarHBondContact O-N 3.27Å; G501-F504 VanDerWaalsContact O-O 3.08Å; F504-N520 PolarHBondContact O-ND2 3.44Å; F504-N520 VanDerWaalsContact O-ND2 3.13Å; F504-V559 HydrophobicContact CE1-CG1 4.21Å; F504-F561 AromaticContact CZ-CE2 3.95Å; F504-F561 HydrophobicContact CZ-CE2 3.95Å; F504-F561 HydrophobicContact CZ-CZ 4.07Å
505	E	97.8	Very high	94.9	Very high	109 Å²	109	38.8 Å²	38.8	51%	0.509	21%	0.213	S	C	.	.	S	Bend	trans	-69.4	-50.3	176	-172	-164.8	157.2	0	0	110	N462 G463 N520	N462-E505 WeakPolarHBondContact O-CB 3.12Å; G463-E505 PolarHBondContact O-N 3.37Å; E505-N520 WeakPolarHBondContact O-CB 3.43Å; E505-N520 PolarHBondContact O-ND2 3.41Å
506	K	98.3	Very high	94.9	Very high	84 Å²	84	37.5 Å²	37.5	37%	0.365	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	147.7	178.3	-62.6	179.1	-177.9	171	0	109.8	R464 S465 D523 L524	R464-K506 VanDerWaalsContact CA-O 3.24Å; R464-K506 WeakPolarHBondContact CA-O 3.41Å; S465-K506 PolarHBondContact N-O 2.95Å; K506-D523 HydrophobicContact CB-CB 4.02Å; K506-D523 HydrophobicContact CD-CB 4.1Å; K506-D523 HydrophobicContact CG-CB 3.97Å; K506-L524 HydrophobicContact CB-CD1 4.27Å; K506-L524 HydrophobicContact CB-CD2 3.77Å; K506-L524 HydrophobicContact CB-CG 3.8Å; K506-L524 HydrophobicContact CD-CD2 4.23Å; K506-L524 WeakPolarHBondContact O-CD1 3.08Å
507	S	98.7	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164	175.6	-47.3	0	0	0	0	111.3	S465 N520 L521 C522 D523 L524	S465-S507 CarbonylContact O-C 3.3Å; S465-S507 WeakPolarHBondContact O-CA 3.16Å; S465-S507 WeakPolarHBondContact O-CB 3.07Å; S465-S507 VanDerWaalsContact OG-CB 3.27Å; S465-S507 WeakPolarHBondContact OG-CB 3.38Å; S465-S507 PolarHBondContact OG-OG 3.24Å; S507-N520 PolarHBondContact N-O 3.31Å; S507-L521 CarbonylContact C-O 3.23Å; S507-L521 CarbonylContact O-C 3.56Å; S507-L521 VanDerWaalsContact O-C 3.31Å; S507-L521 VanDerWaalsContact O-O 3.06Å; S507-C522 CarbonylContact O-C 3.57Å; S507-D523 PolarHBondContact O-N 2.86Å; S507-D523 VanDerWaalsContact O-N 3.16Å; S507-L524 PolarHBondContact O-N 3.39Å
508	C	98.6	Very high	95.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113	153.4	-177.8	0	0	0	0	109.5	S465 H467 L521 L524 C525 Y542	S465-C508 PolarHBondContact O-N 3.01Å; H467-C508 WeakPolarHBondContact CB-O 3.06Å; H467-C508 PolarHBondContact N-O 3.43Å; C508-L521 CarbonylContact C-O 3.5Å; C508-L524 HydrophobicContact CB-CB 3.91Å; C508-C525 WeakPolarHBondContact CA-SG 3.45Å; C508-C525 HydrophobicContact CB-CB 4.05Å; C508-C525 WeakPolarHBondContact CB-SG 3.35Å; C508-C525 WeakPolarHBondContact SG-CA 3.13Å; C508-C525 WeakPolarHBondContact SG-CB 3.24Å; C508-C525 CovalentContact SG-SG 2.05Å; C508-C525 PolarHBondContact SG-SG 3.09Å; C508-Y542 HydrophobicContact CB-CD2 4.41Å; C508-Y542 VanDerWaalsContact SG-CB 3.57Å
509	V	98.3	Very high	95.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.264	C	S	.	.			trans	-128.3	85.8	177.2	-171.9	0	0	0	0	108.8	H467 W476 G511 A512 L521 C535	H467-V509 HydrophobicContact CB-CB 4.44Å; H467-V509 HydrophobicContact CB-CG1 4.38Å; H467-V509 HydrophobicContact CB-CG2 4.01Å; W476-V509 HydrophobicContact CD2-CG1 4.44Å; W476-V509 HydrophobicContact CE3-CG1 3.59Å; W476-V509 HydrophobicContact CE3-CG2 4.31Å; W476-V509 HydrophobicContact CH2-CG1 4.49Å; W476-V509 HydrophobicContact CZ3-CB 4.36Å; W476-V509 HydrophobicContact CZ3-CG1 3.63Å; W476-V509 HydrophobicContact CZ3-CG2 3.84Å; V509-G511 PolarHBondContact O-N 2.82Å; V509-A512 HydrophobicContact CB-CB 3.83Å; V509-A512 HydrophobicContact CG1-CB 3.97Å; V509-A512 WeakPolarHBondContact O-CB 3.32Å; V509-A512 PolarHBondContact O-N 2.96Å; V509-L521 HydrophobicContact CB-CB 4.37Å; V509-L521 HydrophobicContact CG2-CB 4.23Å; V509-L521 HydrophobicContact CG2-CD2 4.27Å; V509-L521 PolarHBondContact N-O 3.48Å; V509-C535 PolarHBondContact O-SG 2.81Å
510	P	96.1	Very high	95.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	130.1	-179.8	-33.6	42.8	0	0	0	113.1	G469 Y470 K537 D543	G469-P510 CarbonylContact C-O 3.59Å; G469-P510 VanDerWaalsContact CA-O 3.31Å; G469-P510 WeakPolarHBondContact CA-O 3.36Å; Y470-P510 PolarHBondContact N-O 3.12Å; P510-K537 HydrophobicContact CB-CG 4.33Å; P510-K537 VanDerWaalsContact O-CE 3.27Å; P510-K537 WeakPolarHBondContact O-CE 3.31Å; P510-K537 WeakPolarHBondContact O-CG 3.21Å; P510-D543 HydrophobicContact CB-CB 3.95Å; P510-D543 WeakPolarHBondContact CB-OD1 3.45Å; P510-D543 HydrophobicContact CG-CB 3.96Å
511	G	93.1	Very high	95.4	Very high	7 Å²	7	46.8 Å²	46.8	7%	0.072	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	6.2	-171.7	0	0	0	0	0	115.4	V509 N513 Q514 C535	V509-G511 PolarHBondContact O-N 2.82Å; G511-N513 VanDerWaalsContact C-N 3.28Å; G511-Q514 PolarHBondContact O-NE2 2.82Å; G511-C535 PolarHBondContact N-O 3.27Å
512	A	95.4	Very high	95.5	Very high	3 Å²	3	47 Å²	47	3%	0.025	26%	0.264	C	S	.	.			trans	-86.6	6.9	171	0	0	0	0	0	113.5	V509 Q514 F517 L521 C522	V509-A512 HydrophobicContact CB-CB 3.83Å; V509-A512 HydrophobicContact CG1-CB 3.97Å; V509-A512 WeakPolarHBondContact O-CB 3.32Å; V509-A512 PolarHBondContact O-N 2.96Å; A512-Q514 PolarHBondContact O-N 2.83Å; A512-Q514 VanDerWaalsContact O-N 3.12Å; A512-F517 HydrophobicContact CB-CD2 3.96Å; A512-F517 WeakPolarHBondContact O-CB 3.16Å; A512-L521 HydrophobicContact CB-CB 3.8Å; A512-L521 HydrophobicContact CB-CD1 4.09Å; A512-C522 VanDerWaalsContact C-SG 3.59Å
513	N	92.2	Very high	95.6	Very high	82 Å²	82	47.7 Å²	47.7	44%	0.439	25%	0.254	S	S	.	.			trans	-77.4	17.2	176.5	62.2	-21.5	0	0	0	113.9	G511 C522 C535	G511-N513 VanDerWaalsContact C-N 3.28Å; N513-C522 PolarHBondContact N-SG 3.24Å; N513-C535 HydrophobicContact CB-CB 4.22Å
514	Q	88.8	Confident	95.6	Very high	98 Å²	98	48.8 Å²	48.8	46%	0.458	26%	0.259	S	S	.	.	S	Bend	trans	-80.6	150.8	-179.1	-63.4	175	66.1	0	0	111.2	G511 A512 G516 F517	G511-Q514 PolarHBondContact O-NE2 2.82Å; A512-Q514 PolarHBondContact O-N 2.83Å; A512-Q514 VanDerWaalsContact O-N 3.12Å; Q514-G516 PolarHBondContact O-N 2.89Å; Q514-F517 PolarHBondContact O-N 3.1Å
515	N	87.5	Confident	95.6	Very high	171 Å²	171	48.7 Å²	48.7	91%	0.914	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	131.5	176.5	-73.1	-25.4	0	0	0	111
516	G	88.6	Confident	95.5	Very high	66 Å²	66	45.8 Å²	45.8	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.2	-9.8	-179.6	0	0	0	0	0	114.9	Q498 Q514	Q498-G516 PolarHBondContact NE2-O 2.88Å; Q514-G516 PolarHBondContact O-N 2.89Å
517	F	93.5	Very high	95.4	Very high	44 Å²	44	41.8 Å²	41.8	19%	0.193	23%	0.231	C	C	.	.	S	Bend	trans	-86.3	150.8	176	-77.9	28	0	0	0	111.2	Y470 P497 A512 Q514 K519 L521	Y470-F517 HydrophobicContact CD1-CE2 4.34Å; Y470-F517 AromaticContact CD2-CE2 3.77Å; Y470-F517 HydrophobicContact CD2-CE2 3.77Å; Y470-F517 HydrophobicContact CD2-CZ 4.49Å; Y470-F517 HydrophobicContact CE1-CE2 4.11Å; Y470-F517 HydrophobicContact CE1-CZ 4.07Å; Y470-F517 AromaticContact CE2-CE2 3.51Å; Y470-F517 HydrophobicContact CE2-CE2 3.51Å; Y470-F517 AromaticContact CE2-CZ 3.82Å; Y470-F517 HydrophobicContact CE2-CZ 3.82Å; Y470-F517 HydrophobicContact CG-CE2 4.18Å; Y470-F517 AromaticContact CZ-CE2 3.7Å; Y470-F517 AromaticContact CZ-CZ 3.58Å; P497-F517 HydrophobicContact CB-CD1 4.27Å; P497-F517 HydrophobicContact CB-CD2 3.9Å; P497-F517 HydrophobicContact CB-CE1 4.39Å; P497-F517 HydrophobicContact CB-CE2 4.05Å; P497-F517 HydrophobicContact CB-CG 4.03Å; P497-F517 HydrophobicContact CB-CZ 4.29Å; P497-F517 HydrophobicContact CG-CD1 4.23Å; P497-F517 HydrophobicContact CG-CD2 4.07Å; P497-F517 HydrophobicContact CG-CE1 3.86Å; P497-F517 HydrophobicContact CG-CE2 3.69Å; P497-F517 HydrophobicContact CG-CG 4.34Å; P497-F517 HydrophobicContact CG-CZ 3.57Å; A512-F517 HydrophobicContact CB-CD2 3.96Å; A512-F517 WeakPolarHBondContact O-CB 3.16Å; Q514-F517 PolarHBondContact O-N 3.1Å; F517-K519 PolarHBondContact O-N 2.93Å; F517-L521 HydrophobicContact CD2-CD1 4.49Å
518	P	95.9	Very high	94.9	Very high	29 Å²	29	43.6 Å²	43.6	19%	0.188	24%	0.241	C	C	.	.			trans	-61.3	130.4	174.4	-20.6	31.3	0	0	0	111.8	P497 Q498 N520 L521	P497-P518 WeakPolarHBondContact O-CG 3.43Å; Q498-P518 HydrophobicContact CB-CG 4.41Å; Q498-P518 HydrophobicContact CG-CG 4.19Å; P518-N520 WeakPolarHBondContact CB-OD1 3.35Å; P518-N520 PolarHBondContact O-N 3.12Å; P518-L521 HydrophobicContact CB-CG 4.22Å; P518-L521 HydrophobicContact CG-CD1 4.32Å; P518-L521 HydrophobicContact CG-CG 4.48Å; P518-L521 WeakPolarHBondContact O-CB 3.3Å; P518-L521 PolarHBondContact O-N 2.93Å
519	K	96.4	Very high	94.3	Very high	186 Å²	186	50.1 Å²	50.1	81%	0.809	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60.6	-33.4	-178.7	-67.5	-176.1	178	-179	0	112.7	F517 L521 C522	F517-K519 PolarHBondContact O-N 2.93Å; K519-L521 PolarHBondContact O-N 3.43Å; K519-L521 VanDerWaalsContact O-N 3.1Å; K519-C522 PolarHBondContact O-N 2.96Å
520	N	97.6	Very high	94	Very high	30 Å²	30	54.7 Å²	54.7	16%	0.16	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-64.5	-15.9	-178.5	71.4	-46	0	0	0	113.6	G501 F504 E505 S507 P518 C522 D523	G501-N520 PolarHBondContact O-ND2 3.23Å; F504-N520 PolarHBondContact O-ND2 3.44Å; F504-N520 VanDerWaalsContact O-ND2 3.13Å; E505-N520 WeakPolarHBondContact O-CB 3.43Å; E505-N520 PolarHBondContact O-ND2 3.41Å; S507-N520 PolarHBondContact N-O 3.31Å; P518-N520 WeakPolarHBondContact CB-OD1 3.35Å; P518-N520 PolarHBondContact O-N 3.12Å; N520-C522 PolarHBondContact O-N 3.44Å; N520-D523 WeakPolarHBondContact CA-OD2 3.01Å; N520-D523 PolarHBondContact O-N 3.44Å
521	L	98.2	Very high	93.8	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.4	171.9	-63.6	-177.3	0	0	0	113.5	W476 P497 V500 S507 C508 V509 A512 F517 P518 K519	W476-L521 HydrophobicContact CH2-CD1 4.28Å; P497-L521 HydrophobicContact CB-CD1 3.94Å; V500-L521 HydrophobicContact CG1-CD2 4.13Å; S507-L521 CarbonylContact C-O 3.23Å; S507-L521 CarbonylContact O-C 3.56Å; S507-L521 VanDerWaalsContact O-C 3.31Å; S507-L521 VanDerWaalsContact O-O 3.06Å; C508-L521 CarbonylContact C-O 3.5Å; V509-L521 HydrophobicContact CB-CB 4.37Å; V509-L521 HydrophobicContact CG2-CB 4.23Å; V509-L521 HydrophobicContact CG2-CD2 4.27Å; V509-L521 PolarHBondContact N-O 3.48Å; A512-L521 HydrophobicContact CB-CB 3.8Å; A512-L521 HydrophobicContact CB-CD1 4.09Å; F517-L521 HydrophobicContact CD2-CD1 4.49Å; P518-L521 HydrophobicContact CB-CG 4.22Å; P518-L521 HydrophobicContact CG-CD1 4.32Å; P518-L521 HydrophobicContact CG-CG 4.48Å; P518-L521 WeakPolarHBondContact O-CB 3.3Å; P518-L521 PolarHBondContact O-N 2.93Å; K519-L521 PolarHBondContact O-N 3.43Å; K519-L521 VanDerWaalsContact O-N 3.1Å
522	C	98.1	Very high	93.8	Very high	15 Å²	15	62.7 Å²	62.7	10%	0.101	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-114.2	1.8	179.6	-70.3	0	0	0	0	113.3	S507 A512 N513 K519 N520 L524 C525 K534 C535	S507-C522 CarbonylContact O-C 3.57Å; A512-C522 VanDerWaalsContact C-SG 3.59Å; N513-C522 PolarHBondContact N-SG 3.24Å; K519-C522 PolarHBondContact O-N 2.96Å; N520-C522 PolarHBondContact O-N 3.44Å; C522-L524 VanDerWaalsContact C-N 3.34Å; C522-L524 PolarHBondContact O-N 2.92Å; C522-C525 WeakPolarHBondContact O-CB 3.28Å; C522-C525 PolarHBondContact O-N 2.82Å; C522-K534 WeakPolarHBondContact O-CE 3.41Å; C522-C535 VanDerWaalsContact CA-SG 3.58Å; C522-C535 HydrophobicContact CB-CB 3.51Å; C522-C535 WeakPolarHBondContact CB-SG 3.4Å; C522-C535 WeakPolarHBondContact SG-CB 2.95Å; C522-C535 CovalentContact SG-SG 2.04Å; C522-C535 PolarHBondContact SG-SG 3.43Å
523	D	98	Very high	93.6	Very high	72 Å²	72	64.7 Å²	64.7	39%	0.385	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-38.1	-171.4	-83.5	-4.6	0	0	0	112.8	K506 S507 N520 K534	K506-D523 HydrophobicContact CB-CB 4.02Å; K506-D523 HydrophobicContact CD-CB 4.1Å; K506-D523 HydrophobicContact CG-CB 3.97Å; S507-D523 PolarHBondContact O-N 2.86Å; S507-D523 VanDerWaalsContact O-N 3.16Å; N520-D523 WeakPolarHBondContact CA-OD2 3.01Å; N520-D523 PolarHBondContact O-N 3.44Å; D523-K534 PolarHBondContact O-NZ 2.04Å
524	L	98.1	Very high	93.8	Very high	23 Å²	23	65.6 Å²	65.6	12%	0.12	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.6	-179.3	-54.3	177	0	0	0	113.7	R464 K506 S507 C508 C522 Y542	R464-L524 HydrophobicContact CB-CD1 3.78Å; R464-L524 HydrophobicContact CG-CD1 4.46Å; K506-L524 HydrophobicContact CB-CD1 4.27Å; K506-L524 HydrophobicContact CB-CD2 3.77Å; K506-L524 HydrophobicContact CB-CG 3.8Å; K506-L524 HydrophobicContact CD-CD2 4.23Å; K506-L524 WeakPolarHBondContact O-CD1 3.08Å; S507-L524 PolarHBondContact O-N 3.39Å; C508-L524 HydrophobicContact CB-CB 3.91Å; C522-L524 VanDerWaalsContact C-N 3.34Å; C522-L524 PolarHBondContact O-N 2.92Å; L524-Y542 WeakPolarHBondContact O-CD2 3.36Å
525	C	98.2	Very high	94.1	Very high	2 Å²	2	61 Å²	61	1%	0.014	35%	0.345	C	S	.	.			trans	-66.6	149.2	178.6	-64.9	0	0	0	0	110.8	C508 C522 K534 C535 D540	C508-C525 WeakPolarHBondContact CA-SG 3.45Å; C508-C525 HydrophobicContact CB-CB 4.05Å; C508-C525 WeakPolarHBondContact CB-SG 3.35Å; C508-C525 WeakPolarHBondContact SG-CA 3.13Å; C508-C525 WeakPolarHBondContact SG-CB 3.24Å; C508-C525 CovalentContact SG-SG 2.05Å; C508-C525 PolarHBondContact SG-SG 3.09Å; C522-C525 WeakPolarHBondContact O-CB 3.28Å; C522-C525 PolarHBondContact O-N 2.82Å; C525-K534 HydrophobicContact CB-CG 3.92Å; C525-K534 VanDerWaalsContact O-CD 3.27Å; C525-K534 WeakPolarHBondContact O-CD 3.44Å; C525-K534 WeakPolarHBondContact O-CE 3.08Å; C525-K534 PolarHBondContact O-NZ 3.2Å; C525-C535 HydrophobicContact CB-CB 4.01Å; C525-C535 VanDerWaalsContact SG-SG 3.63Å; C525-D540 VanDerWaalsContact CB-OD2 3.3Å; C525-D540 WeakPolarHBondContact CB-OD2 3.39Å
526	V	96.9	Very high	94.2	Very high	48 Å²	48	55.9 Å²	55.9	29%	0.291	32%	0.316	S	S	.	.			trans	-117.3	-11.8	-167.7	-63.1	0	0	0	0	114	D540 R541 Y542	V526-D540 PolarHBondContact N-OD1 3.13Å; V526-D540 PolarHBondContact N-OD2 2.83Å; V526-R541 HydrophobicContact CG2-CB 3.88Å; V526-Y542 HydrophobicContact CG1-CD2 4.03Å; V526-Y542 HydrophobicContact CG1-CE2 3.57Å; V526-Y542 HydrophobicContact CG2-CD1 4.16Å; V526-Y542 HydrophobicContact CG2-CD2 4.16Å; V526-Y542 HydrophobicContact CG2-CE1 4.18Å; V526-Y542 HydrophobicContact CG2-CE2 4.23Å; V526-Y542 HydrophobicContact CG2-CG 4.14Å
527	G	94.6	Very high	94.2	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.			trans	79.4	-168	-172.5	0	0	0	0	0	113.5	Q532 D540 R541	G527-Q532 CarbonylContact C-O 3.49Å; G527-Q532 WeakPolarHBondContact CA-O 3.22Å; G527-D540 WeakPolarHBondContact CA-OD2 3.05Å; G527-D540 PolarHBondContact N-OD2 2.75Å; G527-R541 WeakPolarHBondContact O-CG 3.45Å; G527-R541 PolarHBondContact O-N 2.99Å
528	D	89.9	Confident	93.6	Very high	39 Å²	39	56.7 Å²	56.7	21%	0.209	32%	0.317	C	S	.	.	S	Bend	trans	-74	-172.4	171.4	60.9	30.9	0	0	0	111.8	S530 G531 Q532 N533	D528-S530 PolarHBondContact O-N 2.88Å; D528-S530 VanDerWaalsContact O-N 3.16Å; D528-S530 VanDerWaalsContact OD1-CA 3.32Å; D528-S530 WeakPolarHBondContact OD1-CA 3.26Å; D528-S530 WeakPolarHBondContact OD1-CB 3.46Å; D528-S530 PolarHBondContact OD1-N 3Å; D528-G531 PolarHBondContact O-N 2.72Å; D528-G531 PolarHBondContact OD1-N 3.45Å; D528-G531 VanDerWaalsContact OD1-N 3.12Å; D528-Q532 PolarHBondContact N-O 3.23Å; D528-Q532 PolarHBondContact OD1-N 3.25Å; D528-N533 PolarHBondContact OD2-ND2 3.34Å
529	D	86	Confident	93.1	Very high	138 Å²	138	60.2 Å²	60.2	74%	0.738	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.8	179.4	-71.5	-33.1	0	0	0	114.2	R541	D529-R541 IonicContact OD1-NH1 2.77Å
530	S	91.7	Very high	92.9	Very high	95 Å²	95	51.7 Å²	51.7	66%	0.664	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	1.9	173.5	-60	0	0	0	0	112.8	D528 Q532	D528-S530 PolarHBondContact O-N 2.88Å; D528-S530 VanDerWaalsContact O-N 3.16Å; D528-S530 VanDerWaalsContact OD1-CA 3.32Å; D528-S530 WeakPolarHBondContact OD1-CA 3.26Å; D528-S530 WeakPolarHBondContact OD1-CB 3.46Å; D528-S530 PolarHBondContact OD1-N 3Å; S530-Q532 PolarHBondContact O-N 3.03Å
531	G	91.4	Very high	92.7	Very high	48 Å²	48	54.4 Å²	54.4	50%	0.495	30%	0.301	S	S	.	.	S	Bend	trans	70.9	13.9	-173.8	0	0	0	0	0	114	D528	D528-G531 PolarHBondContact O-N 2.72Å; D528-G531 PolarHBondContact OD1-N 3.45Å; D528-G531 VanDerWaalsContact OD1-N 3.12Å
532	Q	93.3	Very high	92.6	Very high	127 Å²	127	54.6 Å²	54.6	59%	0.593	30%	0.301	S	S	*	.			trans	-92.2	175.1	176.3	-60.8	-175.3	36.6	0	0	110.6	G527 D528 S530 K534	G527-Q532 CarbonylContact C-O 3.49Å; G527-Q532 WeakPolarHBondContact CA-O 3.22Å; D528-Q532 PolarHBondContact N-O 3.23Å; D528-Q532 PolarHBondContact OD1-N 3.25Å; S530-Q532 PolarHBondContact O-N 3.03Å; Q532-K534 PolarHBondContact O-N 2.82Å; Q532-K534 VanDerWaalsContact O-N 3.11Å
533	N	90.9	Very high	92.3	Very high	46 Å²	46	55 Å²	55	25%	0.246	30%	0.303	C	S	.	.	S	Bend	trans	55.3	33	177.4	-55.3	-77.3	0	0	0	113.7	D528 C535 E536 K539	D528-N533 PolarHBondContact OD2-ND2 3.34Å; N533-C535 PolarHBondContact O-N 2.95Å; N533-E536 HydrophobicContact CB-CB 4.2Å; N533-E536 HydrophobicContact CB-CG 4.21Å; N533-E536 VanDerWaalsContact O-CB 3.29Å; N533-E536 WeakPolarHBondContact O-CB 3.24Å; N533-E536 PolarHBondContact O-N 3.33Å; N533-E536 PolarHBondContact OD1-OE2 2.9Å; N533-K539 HydrophobicContact CB-CB 3.79Å; N533-K539 HydrophobicContact CB-CD 3.62Å; N533-K539 HydrophobicContact CB-CG 4.42Å; N533-K539 VanDerWaalsContact CG-CD 3.46Å; N533-K539 WeakPolarHBondContact OD1-CD 3.36Å; N533-K539 PolarHBondContact OD1-NZ 3.27Å
534	K	95.2	Very high	92.1	Very high	100 Å²	100	52 Å²	52	44%	0.435	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131	-179.4	177.6	168.9	168.5	146.4	0	111	C522 D523 C525 Q532 E536 D540	C522-K534 WeakPolarHBondContact O-CE 3.41Å; D523-K534 PolarHBondContact O-NZ 2.04Å; C525-K534 HydrophobicContact CB-CG 3.92Å; C525-K534 VanDerWaalsContact O-CD 3.27Å; C525-K534 WeakPolarHBondContact O-CD 3.44Å; C525-K534 WeakPolarHBondContact O-CE 3.08Å; C525-K534 PolarHBondContact O-NZ 3.2Å; Q532-K534 PolarHBondContact O-N 2.82Å; Q532-K534 VanDerWaalsContact O-N 3.11Å; K534-E536 PolarHBondContact O-N 2.8Å; K534-D540 WeakPolarHBondContact CA-OD2 3.37Å
535	C	95.5	Very high	91.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.007	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	16.9	-178.4	-153	0	0	0	0	113.7	V509 G511 N513 C522 C525 N533 D540	V509-C535 PolarHBondContact O-SG 2.81Å; G511-C535 PolarHBondContact N-O 3.27Å; N513-C535 HydrophobicContact CB-CB 4.22Å; C522-C535 VanDerWaalsContact CA-SG 3.58Å; C522-C535 HydrophobicContact CB-CB 3.51Å; C522-C535 WeakPolarHBondContact CB-SG 3.4Å; C522-C535 WeakPolarHBondContact SG-CB 2.95Å; C522-C535 CovalentContact SG-SG 2.04Å; C522-C535 PolarHBondContact SG-SG 3.43Å; C525-C535 HydrophobicContact CB-CB 4.01Å; C525-C535 VanDerWaalsContact SG-SG 3.63Å; N533-C535 PolarHBondContact O-N 2.95Å; C535-D540 PolarHBondContact N-OD2 2.76Å
536	E	91	Very high	91.7	Very high	64 Å²	64	51.6 Å²	51.6	30%	0.299	29%	0.286	S	S	.	.			trans	-87	132.9	172	-65.3	-171.9	-157.6	0	0	111.2	N533 K534 K539 D540	N533-E536 HydrophobicContact CB-CB 4.2Å; N533-E536 HydrophobicContact CB-CG 4.21Å; N533-E536 VanDerWaalsContact O-CB 3.29Å; N533-E536 WeakPolarHBondContact O-CB 3.24Å; N533-E536 PolarHBondContact O-N 3.33Å; N533-E536 PolarHBondContact OD1-OE2 2.9Å; K534-E536 PolarHBondContact O-N 2.8Å; E536-K539 HydrophobicContact CB-CB 4.23Å; E536-K539 HydrophobicContact CB-CD 4.28Å; E536-K539 PolarHBondContact O-N 2.79Å; E536-K539 WeakPolarHBondContact OE2-CD 3.4Å; E536-K539 WeakPolarHBondContact OE2-CE 3.47Å; E536-K539 IonicContact OE2-NZ 3.6Å; E536-K539 PolarHBondContact OE2-NZ 3.44Å; E536-D540 WeakPolarHBondContact O-CB 3.01Å; E536-D540 PolarHBondContact O-N 2.95Å
537	K	86.9	Confident	91.6	Very high	69 Å²	69	49.5 Å²	49.5	30%	0.3	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	137	177.2	-73.8	178.4	173.7	171.7	0	110.9	Y413 Y470 P510 K539	Y413-K537 VanDerWaalsContact OH-CE 3.32Å; Y413-K537 WeakPolarHBondContact OH-CE 3.31Å; Y413-K537 PolarHBondContact OH-NZ 3.32Å; Y470-K537 VanDerWaalsContact O-CE 3.25Å; Y470-K537 WeakPolarHBondContact O-CE 3.48Å; Y470-K537 PolarHBondContact O-NZ 3.09Å; P510-K537 HydrophobicContact CB-CG 4.33Å; P510-K537 VanDerWaalsContact O-CE 3.27Å; P510-K537 WeakPolarHBondContact O-CE 3.31Å; P510-K537 WeakPolarHBondContact O-CG 3.21Å; K537-K539 PolarHBondContact O-N 3.34Å
538	G	81.3	Confident	91.8	Very high	59 Å²	59	49.6 Å²	49.6	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	3.1	179.5	0	0	0	0	0	115.4	D543	G538-D543 PolarHBondContact N-OD2 3.31Å
539	K	85	Confident	92.2	Very high	103 Å²	103	47.7 Å²	47.7	45%	0.448	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-38.5	177.7	-61.1	-175.3	-174.2	167.7	0	112.9	N533 E536 K537 R541	N533-K539 HydrophobicContact CB-CB 3.79Å; N533-K539 HydrophobicContact CB-CD 3.62Å; N533-K539 HydrophobicContact CB-CG 4.42Å; N533-K539 VanDerWaalsContact CG-CD 3.46Å; N533-K539 WeakPolarHBondContact OD1-CD 3.36Å; N533-K539 PolarHBondContact OD1-NZ 3.27Å; E536-K539 HydrophobicContact CB-CB 4.23Å; E536-K539 HydrophobicContact CB-CD 4.28Å; E536-K539 PolarHBondContact O-N 2.79Å; E536-K539 WeakPolarHBondContact OE2-CD 3.4Å; E536-K539 WeakPolarHBondContact OE2-CE 3.47Å; E536-K539 IonicContact OE2-NZ 3.6Å; E536-K539 PolarHBondContact OE2-NZ 3.44Å; K537-K539 PolarHBondContact O-N 3.34Å; K539-R541 PolarHBondContact O-N 3.08Å
540	D	93.1	Very high	92.7	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.032	24%	0.236	C	C	.	.	S	Bend	trans	-66	133	175.6	-163.4	-71.9	0	0	0	110.3	C525 V526 G527 K534 C535 E536 Y542 D543	C525-D540 VanDerWaalsContact CB-OD2 3.3Å; C525-D540 WeakPolarHBondContact CB-OD2 3.39Å; V526-D540 PolarHBondContact N-OD1 3.13Å; V526-D540 PolarHBondContact N-OD2 2.83Å; G527-D540 WeakPolarHBondContact CA-OD2 3.05Å; G527-D540 PolarHBondContact N-OD2 2.75Å; K534-D540 WeakPolarHBondContact CA-OD2 3.37Å; C535-D540 PolarHBondContact N-OD2 2.76Å; E536-D540 WeakPolarHBondContact O-CB 3.01Å; E536-D540 PolarHBondContact O-N 2.95Å; D540-Y542 PolarHBondContact O-N 2.88Å; D540-Y542 VanDerWaalsContact O-N 3.09Å; D540-Y542 WeakPolarHBondContact OD1-CB 3.31Å; D540-Y542 PolarHBondContact OD1-N 3.26Å; D540-D543 VanDerWaalsContact O-CB 3.25Å; D540-D543 WeakPolarHBondContact O-CB 3.48Å; D540-D543 PolarHBondContact O-N 2.92Å
541	R	92.8	Very high	93.1	Very high	87 Å²	87	38.3 Å²	38.3	33%	0.328	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18	178.4	-73.9	169.7	27.5	175.1	-13.4	114.2	V526 G527 D529 K539 G547 R550	V526-R541 HydrophobicContact CG2-CB 3.88Å; G527-R541 WeakPolarHBondContact O-CG 3.45Å; G527-R541 PolarHBondContact O-N 2.99Å; D529-R541 IonicContact OD1-NH1 2.77Å; K539-R541 PolarHBondContact O-N 3.08Å; R541-G547 VanDerWaalsContact O-CA 3.25Å; R541-G547 WeakPolarHBondContact O-CA 3.34Å; R541-R550 VanDerWaalsContact CZ-NH2 3.25Å; R541-R550 VanDerWaalsContact NH2-NH2 3.17Å
542	Y	96.2	Very high	93.4	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.016	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	6.3	173.9	-67.9	-9.5	0	0	0	113.2	C508 L524 V526 D540 G547 A548 R550 C551 S554 D556	C508-Y542 HydrophobicContact CB-CD2 4.41Å; C508-Y542 VanDerWaalsContact SG-CB 3.57Å; L524-Y542 WeakPolarHBondContact O-CD2 3.36Å; V526-Y542 HydrophobicContact CG1-CD2 4.03Å; V526-Y542 HydrophobicContact CG1-CE2 3.57Å; V526-Y542 HydrophobicContact CG2-CD1 4.16Å; V526-Y542 HydrophobicContact CG2-CD2 4.16Å; V526-Y542 HydrophobicContact CG2-CE1 4.18Å; V526-Y542 HydrophobicContact CG2-CE2 4.23Å; V526-Y542 HydrophobicContact CG2-CG 4.14Å; D540-Y542 PolarHBondContact O-N 2.88Å; D540-Y542 VanDerWaalsContact O-N 3.09Å; D540-Y542 WeakPolarHBondContact OD1-CB 3.31Å; D540-Y542 PolarHBondContact OD1-N 3.26Å; Y542-G547 WeakPolarHBondContact CD1-O 3.5Å; Y542-G547 CarbonylContact O-C 3.58Å; Y542-A548 PolarHBondContact O-N 2.93Å; Y542-R550 HydrophobicContact CD1-CB 4.36Å; Y542-R550 HydrophobicContact CD1-CG 4.34Å; Y542-R550 HydrophobicContact CE1-CB 4.2Å; Y542-R550 HydrophobicContact CE1-CG 3.78Å; Y542-C551 HydrophobicContact CD1-CB 4.02Å; Y542-C551 HydrophobicContact CD2-CB 3.51Å; Y542-C551 HydrophobicContact CE1-CB 4.2Å; Y542-C551 HydrophobicContact CE2-CB 3.67Å; Y542-C551 HydrophobicContact CG-CB 3.7Å; Y542-S554 PolarHBondContact OH-OG 2.94Å; Y542-D556 HydrophobicContact CE2-CB 4.25Å; Y542-D556 WeakPolarHBondContact CE2-OD2 2.89Å; Y542-D556 PolarHBondContact OH-OD2 3.47Å
543	D	93.5	Very high	93.6	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	16%	0.159	C	C	.	.			trans	-72.7	145.7	167.5	-169.3	73.7	0	0	0	112.4	R472 P510 G538 D540 G547	R472-D543 IonicContact CZ-OD1 2.69Å; R472-D543 IonicContact CZ-OD2 2.71Å; R472-D543 VanDerWaalsContact NH1-CG 3.28Å; R472-D543 IonicContact NH1-OD1 2.61Å; R472-D543 PolarHBondContact NH1-OD1 3.49Å; R472-D543 VanDerWaalsContact NH1-OD1 3.17Å; R472-D543 IonicContact NH1-OD2 3.06Å; R472-D543 PolarHBondContact NH1-OD2 3.41Å; R472-D543 IonicContact NH2-OD1 3.78Å; R472-D543 IonicContact NH2-OD2 2.95Å; R472-D543 PolarHBondContact NH2-OD2 3.11Å; P510-D543 HydrophobicContact CB-CB 3.95Å; P510-D543 WeakPolarHBondContact CB-OD1 3.45Å; P510-D543 HydrophobicContact CG-CB 3.96Å; G538-D543 PolarHBondContact N-OD2 3.31Å; D540-D543 VanDerWaalsContact O-CB 3.25Å; D540-D543 WeakPolarHBondContact O-CB 3.48Å; D540-D543 PolarHBondContact O-N 2.92Å; D543-G547 WeakPolarHBondContact O-CA 3.45Å; D543-G547 PolarHBondContact O-N 3.1Å
544	G	92.8	Very high	93.8	Very high	9 Å²	9	31.7 Å²	31.7	9%	0.093	17%	0.169	C	C	.	.	H	α-helix	trans	88.6	-177.3	176.1	0	0	0	0	0	113.7	T468 A548	T468-G544 WeakPolarHBondContact CA-O 3.35Å; T468-G544 PolarHBondContact O-N 2.91Å; G544-A548 WeakPolarHBondContact O-CB 3.39Å; G544-A548 PolarHBondContact O-N 2.75Å; G544-A548 VanDerWaalsContact O-N 3.1Å
545	Y	94.4	Very high	93.9	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-48.4	179.2	-74.1	-66.8	0	0	0	110.9	D410 Y441 T468 A474 A548 F549 V562 K563 T566 H614 K662	D410-Y545 PolarHBondContact OD2-OH 3.1Å; Y441-Y545 PolarHBondContact OH-OH 3.07Å; T468-Y545 HydrophobicContact CG2-CD1 3.56Å; T468-Y545 HydrophobicContact CG2-CE1 3.78Å; T468-Y545 HydrophobicContact CG2-CG 4.2Å; A474-Y545 HydrophobicContact CB-CE1 3.91Å; Y545-A548 PolarHBondContact O-N 2.78Å; Y545-F549 PolarHBondContact O-N 3.31Å; Y545-F549 VanDerWaalsContact O-N 3.1Å; Y545-V562 HydrophobicContact CD1-CB 4.04Å; Y545-V562 HydrophobicContact CD1-CG1 4.39Å; Y545-K563 HydrophobicContact CD1-CB 4.21Å; Y545-K563 HydrophobicContact CD1-CD 4.25Å; Y545-K563 HydrophobicContact CD1-CG 3.76Å; Y545-K563 HydrophobicContact CD2-CD 4.15Å; Y545-K563 HydrophobicContact CE1-CB 3.87Å; Y545-K563 HydrophobicContact CE1-CD 4.31Å; Y545-K563 HydrophobicContact CE1-CG 3.87Å; Y545-K563 HydrophobicContact CE2-CD 4.22Å; Y545-K563 HydrophobicContact CG-CD 4.18Å; Y545-K563 HydrophobicContact CG-CG 4.12Å; Y545-T566 WeakPolarHBondContact O-CG2 3.31Å; Y545-H614 AromaticContact CE2-CE1 3.79Å; Y545-H614 AromaticContact CE2-NE2 3.9Å; Y545-K662 HydrophobicContact CD2-CD 4.3Å
546	D	93.6	Very high	93.9	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.064	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-42.1	179.5	-61.2	-18.9	0	0	0	111.3	A548 F549 R550 N570 W579 T657	D546-A548 PolarHBondContact O-N 3.25Å; D546-F549 PolarHBondContact O-N 3.27Å; D546-R550 VanDerWaalsContact O-CB 3.23Å; D546-R550 WeakPolarHBondContact O-CB 3.23Å; D546-R550 PolarHBondContact O-N 3.13Å; D546-N570 PolarHBondContact OD1-ND2 3.1Å; D546-W579 HydrophobicContact CB-CZ2 4.23Å; D546-T657 WeakPolarHBondContact OD2-CB 3.24Å; D546-T657 PolarHBondContact OD2-OG1 3.1Å
547	G	95.3	Very high	94.3	Very high	4 Å²	4	27.9 Å²	27.9	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-43.9	177.1	0	0	0	0	0	113.5	R541 Y542 D543 F549 R550 C551	R541-G547 VanDerWaalsContact O-CA 3.25Å; R541-G547 WeakPolarHBondContact O-CA 3.34Å; Y542-G547 WeakPolarHBondContact CD1-O 3.5Å; Y542-G547 CarbonylContact O-C 3.58Å; D543-G547 WeakPolarHBondContact O-CA 3.45Å; D543-G547 PolarHBondContact O-N 3.1Å; G547-F549 PolarHBondContact O-N 2.78Å; G547-R550 WeakPolarHBondContact O-CB 3.43Å; G547-R550 PolarHBondContact O-N 3.38Å; G547-C551 WeakPolarHBondContact O-CB 3.11Å; G547-C551 PolarHBondContact O-N 3.21Å
548	A	98.3	Very high	94.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-39	176.2	0	0	0	0	0	112.1	C466 T468 Y542 G544 Y545 D546 C551 L552 A560 V562	C466-A548 HydrophobicContact CB-CB 4.41Å; C466-A548 WeakPolarHBondContact CB-O 3.48Å; T468-A548 HydrophobicContact CG2-CB 4.2Å; Y542-A548 PolarHBondContact O-N 2.93Å; G544-A548 WeakPolarHBondContact O-CB 3.39Å; G544-A548 PolarHBondContact O-N 2.75Å; G544-A548 VanDerWaalsContact O-N 3.1Å; Y545-A548 PolarHBondContact O-N 2.78Å; D546-A548 PolarHBondContact O-N 3.25Å; A548-C551 WeakPolarHBondContact O-CB 3.28Å; A548-L552 PolarHBondContact O-N 3.11Å; A548-A560 WeakPolarHBondContact O-CB 3.27Å; A548-V562 HydrophobicContact CB-CG1 3.81Å
549	F	98.3	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70	-38.9	175.1	-176.5	-115.2	0	0	0	112.1	V446 Y545 D546 G547 C551 L552 A553 T566 V567 N570 T571 W579 L583 F588	V446-F549 HydrophobicContact CG1-CE2 4.22Å; Y545-F549 PolarHBondContact O-N 3.31Å; Y545-F549 VanDerWaalsContact O-N 3.1Å; D546-F549 PolarHBondContact O-N 3.27Å; G547-F549 PolarHBondContact O-N 2.78Å; F549-C551 VanDerWaalsContact C-N 3.33Å; F549-C551 PolarHBondContact O-N 2.02Å; F549-L552 HydrophobicContact CD2-CD2 4.42Å; F549-L552 HydrophobicContact CE2-CD2 4.48Å; F549-L552 WeakPolarHBondContact O-CB 3.27Å; F549-L552 PolarHBondContact O-N 3.1Å; F549-L552 VanDerWaalsContact O-N 3.14Å; F549-A553 WeakPolarHBondContact O-CB 3.44Å; F549-A553 PolarHBondContact O-N 2.95Å; F549-T566 HydrophobicContact CB-CG2 3.68Å; F549-T566 HydrophobicContact CG-CG2 4.17Å; F549-V567 HydrophobicContact CD2-CG2 4.34Å; F549-V567 HydrophobicContact CE2-CB 4.47Å; F549-V567 HydrophobicContact CE2-CG1 4.39Å; F549-V567 HydrophobicContact CE2-CG2 3.89Å; F549-V567 HydrophobicContact CZ-CB 4.47Å; F549-V567 HydrophobicContact CZ-CG1 4.13Å; F549-V567 HydrophobicContact CZ-CG2 4.37Å; F549-N570 HydrophobicContact CD1-CB 3.6Å; F549-N570 HydrophobicContact CE1-CB 3.64Å; F549-T571 HydrophobicContact CE1-CG2 3.95Å; F549-T571 HydrophobicContact CZ-CG2 3.88Å; F549-W579 HydrophobicContact CD1-CH2 4.06Å; F549-W579 HydrophobicContact CD1-CZ3 4.1Å; F549-L583 HydrophobicContact CE1-CD1 4.14Å; F549-F588 HydrophobicContact CE1-CZ 4.49Å; F549-F588 AromaticContact CE2-CD1 3.81Å; F549-F588 HydrophobicContact CE2-CD1 3.81Å; F549-F588 HydrophobicContact CE2-CD2 4.31Å; F549-F588 AromaticContact CE2-CE1 3.7Å; F549-F588 HydrophobicContact CE2-CE1 3.7Å; F549-F588 HydrophobicContact CE2-CE2 4.24Å; F549-F588 HydrophobicContact CE2-CG 4.11Å; F549-F588 AromaticContact CE2-CZ 3.92Å; F549-F588 HydrophobicContact CE2-CZ 3.92Å; F549-F588 HydrophobicContact CZ-CD1 4.19Å; F549-F588 AromaticContact CZ-CD2 3.98Å; F549-F588 HydrophobicContact CZ-CD2 3.98Å; F549-F588 AromaticContact CZ-CE1 3.84Å; F549-F588 HydrophobicContact CZ-CE1 3.84Å; F549-F588 AromaticContact CZ-CE2 3.63Å; F549-F588 HydrophobicContact CZ-CE2 3.63Å; F549-F588 HydrophobicContact CZ-CG 4.25Å; F549-F588 AromaticContact CZ-CZ 3.54Å; F549-F588 HydrophobicContact CZ-CZ 3.54Å
550	R	97.4	Very high	96.3	Very high	36 Å²	36	18.4 Å²	18.4	14%	0.136	11%	0.106	C	C	.	.	H	α-helix	trans	-57.9	-44	172.9	-175.3	-178.9	-176.9	171.6	7.1	111.5	R541 Y542 D546 G547 L552 A553 S554 W579	R541-R550 VanDerWaalsContact CZ-NH2 3.25Å; R541-R550 VanDerWaalsContact NH2-NH2 3.17Å; Y542-R550 HydrophobicContact CD1-CB 4.36Å; Y542-R550 HydrophobicContact CD1-CG 4.34Å; Y542-R550 HydrophobicContact CE1-CB 4.2Å; Y542-R550 HydrophobicContact CE1-CG 3.78Å; D546-R550 VanDerWaalsContact O-CB 3.23Å; D546-R550 WeakPolarHBondContact O-CB 3.23Å; D546-R550 PolarHBondContact O-N 3.13Å; G547-R550 WeakPolarHBondContact O-CB 3.43Å; G547-R550 PolarHBondContact O-N 3.38Å; R550-L552 VanDerWaalsContact C-N 3.29Å; R550-L552 PolarHBondContact O-N 3.01Å; R550-A553 PolarHBondContact O-N 3.32Å; R550-S554 WeakPolarHBondContact O-CB 3.46Å; R550-S554 PolarHBondContact O-N 2.95Å; R550-S554 PolarHBondContact O-OG 3.29Å; R550-W579 HydrophobicContact CB-CD2 3.99Å; R550-W579 HydrophobicContact CB-CE3 3.74Å; R550-W579 HydrophobicContact CB-CH2 3.86Å; R550-W579 HydrophobicContact CB-CZ2 4.12Å; R550-W579 HydrophobicContact CB-CZ3 3.68Å; R550-W579 HydrophobicContact CG-CB 4.41Å; R550-W579 HydrophobicContact CG-CD2 3.55Å; R550-W579 HydrophobicContact CG-CE3 3.55Å; R550-W579 HydrophobicContact CG-CG 3.93Å; R550-W579 HydrophobicContact CG-CZ3 4.05Å
551	C	98.5	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.3	-41.6	174.5	168	0	0	0	0	112.7	C466 Y542 G547 A548 F549 D556 G557	C466-C551 HydrophobicContact CB-CB 3.55Å; C466-C551 WeakPolarHBondContact CB-SG 3.38Å; C466-C551 WeakPolarHBondContact SG-CB 3.22Å; C466-C551 CovalentContact SG-SG 2.03Å; C466-C551 PolarHBondContact SG-SG 2.94Å; Y542-C551 HydrophobicContact CD1-CB 4.02Å; Y542-C551 HydrophobicContact CD2-CB 3.51Å; Y542-C551 HydrophobicContact CE1-CB 4.2Å; Y542-C551 HydrophobicContact CE2-CB 3.67Å; Y542-C551 HydrophobicContact CG-CB 3.7Å; G547-C551 WeakPolarHBondContact O-CB 3.11Å; G547-C551 PolarHBondContact O-N 3.21Å; A548-C551 WeakPolarHBondContact O-CB 3.28Å; F549-C551 VanDerWaalsContact C-N 3.33Å; F549-C551 PolarHBondContact O-N 2.02Å; C551-D556 PolarHBondContact O-N 3.14Å; C551-D556 VanDerWaalsContact O-N 3.12Å; C551-G557 PolarHBondContact O-N 3.17Å
552	L	98.6	Very high	96.8	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-70.9	-47.2	173.5	173	69.3	0	0	0	111.8	V446 K448 C466 A548 F549 R550 S554 G555 D558 A560 F588	V446-L552 HydrophobicContact CB-CD2 4.01Å; V446-L552 HydrophobicContact CG1-CD2 3.79Å; V446-L552 WeakPolarHBondContact O-CD2 3.38Å; K448-L552 WeakPolarHBondContact CE-O 3.45Å; K448-L552 HydrophobicContact CG-CD1 4.26Å; K448-L552 HydrophobicContact CG-CG 4.42Å; K448-L552 PolarHBondContact NZ-O 3.36Å; C466-L552 PolarHBondContact SG-N 3.21Å; C466-L552 VanDerWaalsContact SG-N 3.41Å; A548-L552 PolarHBondContact O-N 3.11Å; F549-L552 HydrophobicContact CD2-CD2 4.42Å; F549-L552 HydrophobicContact CE2-CD2 4.48Å; F549-L552 WeakPolarHBondContact O-CB 3.27Å; F549-L552 PolarHBondContact O-N 3.1Å; F549-L552 VanDerWaalsContact O-N 3.14Å; R550-L552 VanDerWaalsContact C-N 3.29Å; R550-L552 PolarHBondContact O-N 3.01Å; L552-S554 VanDerWaalsContact C-N 3.34Å; L552-S554 PolarHBondContact O-N 2.95Å; L552-G555 WeakPolarHBondContact O-CA 3.29Å; L552-G555 PolarHBondContact O-N 3.08Å; L552-D558 WeakPolarHBondContact CD1-O 3.38Å; L552-A560 HydrophobicContact CB-CB 3.76Å; L552-A560 HydrophobicContact CD2-CB 3.87Å; L552-A560 HydrophobicContact CG-CB 4.42Å; L552-F588 HydrophobicContact CD2-CD1 4.11Å; L552-F588 HydrophobicContact CD2-CE1 4.24Å; L552-F588 HydrophobicContact CG-CE1 4.43Å
553	A	97.3	Very high	96.6	Very high	15 Å²	15	13.9 Å²	13.9	12%	0.124	9%	0.088	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-176.8	0	0	0	0	0	112.1	K448 F549 R550 G555 W579 L583 F588	K448-A553 WeakPolarHBondContact CE-O 3.48Å; K448-A553 PolarHBondContact NZ-O 2.82Å; F549-A553 WeakPolarHBondContact O-CB 3.44Å; F549-A553 PolarHBondContact O-N 2.95Å; R550-A553 PolarHBondContact O-N 3.32Å; A553-G555 PolarHBondContact O-N 3.35Å; A553-W579 HydrophobicContact CB-CZ3 4.42Å; A553-L583 HydrophobicContact CB-CD1 3.8Å; A553-L583 HydrophobicContact CB-CD2 4.26Å; A553-F588 HydrophobicContact CB-CZ 4.42Å
554	S	95.8	Very high	96.6	Very high	66 Å²	66	13.1 Å²	13.1	46%	0.462	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20	173.1	-59.6	0	0	0	0	113.4	Y542 R550 L552	Y542-S554 PolarHBondContact OH-OG 2.94Å; R550-S554 WeakPolarHBondContact O-CB 3.46Å; R550-S554 PolarHBondContact O-N 2.95Å; R550-S554 PolarHBondContact O-OG 3.29Å; L552-S554 VanDerWaalsContact C-N 3.34Å; L552-S554 PolarHBondContact O-N 2.95Å
555	G	95.9	Very high	96.5	Very high	24 Å²	24	13.5 Å²	13.5	25%	0.247	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	10.1	-177.9	0	0	0	0	0	114.8	R464 L552 A553	R464-G555 PolarHBondContact NH1-O 3.02Å; R464-G555 PolarHBondContact NH2-O 2.99Å; L552-G555 WeakPolarHBondContact O-CA 3.29Å; L552-G555 PolarHBondContact O-N 3.08Å; A553-G555 PolarHBondContact O-N 3.35Å
556	D	97.1	Very high	96.5	Very high	58 Å²	58	13.3 Å²	13.3	31%	0.31	8%	0.084	S	C	.	.	S	Bend	trans	-74.3	-33.2	176.8	-63.9	-38.4	0	0	0	111.7	R464 Y542 C551	R464-D556 WeakPolarHBondContact CD-O 3.41Å; R464-D556 PolarHBondContact NH1-O 3.02Å; Y542-D556 HydrophobicContact CE2-CB 4.25Å; Y542-D556 WeakPolarHBondContact CE2-OD2 2.89Å; Y542-D556 PolarHBondContact OH-OD2 3.47Å; C551-D556 PolarHBondContact O-N 3.14Å; C551-D556 VanDerWaalsContact O-N 3.12Å
557	G	97.8	Very high	96.7	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.031	8%	0.081	C	C	.	.			trans	-113.9	163.8	170.5	0	0	0	0	0	114	C551	C551-G557 PolarHBondContact O-N 3.17Å
558	D	98.5	Very high	96.6	Very high	31 Å²	31	15.6 Å²	15.6	17%	0.166	9%	0.093	C	C	.	.	S	Bend	trans	-100.4	-24.2	177.8	-57.8	-54	0	0	0	112.5	I454 R464 L552	I454-D558 HydrophobicContact CD1-CB 3.72Å; R464-D558 VanDerWaalsContact CB-OD2 3.29Å; R464-D558 WeakPolarHBondContact CB-OD2 3.09Å; R464-D558 IonicContact CZ-OD1 3.92Å; R464-D558 IonicContact CZ-OD2 3.44Å; R464-D558 PolarHBondContact N-OD2 3.21Å; R464-D558 IonicContact NE-OD1 2.69Å; R464-D558 IonicContact NE-OD2 3.05Å; R464-D558 PolarHBondContact NE-OD2 3.17Å; R464-D558 VanDerWaalsContact NE-OD2 3.11Å; R464-D558 IonicContact NH2-OD1 3.79Å; R464-D558 PolarHBondContact NH2-OD1 3.16Å; R464-D558 IonicContact NH2-OD2 2.9Å; R464-D558 PolarHBondContact O-N 2.92Å; L552-D558 WeakPolarHBondContact CD1-O 3.38Å
559	V	98.6	Very high	96.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	141.4	175.9	62.8	0	0	0	0	110.9	A445 V446 V447 L460 R464 C466 F504 F561	A445-V559 HydrophobicContact CB-CG2 4.13Å; V446-V559 CarbonylContact O-C 3.59Å; V446-V559 WeakPolarHBondContact O-CA 3.45Å; V447-V559 HydrophobicContact CG1-CB 4.07Å; V447-V559 HydrophobicContact CG1-CG2 3.99Å; L460-V559 HydrophobicContact CD1-CB 4.43Å; L460-V559 HydrophobicContact CD1-CG1 4.13Å; L460-V559 HydrophobicContact CD1-CG2 4.22Å; L460-V559 HydrophobicContact CD2-CB 3.8Å; L460-V559 HydrophobicContact CD2-CG1 3.83Å; L460-V559 HydrophobicContact CD2-CG2 4.3Å; R464-V559 PolarHBondContact O-N 2.79Å; C466-V559 PolarHBondContact N-O 3.27Å; F504-V559 HydrophobicContact CE1-CG1 4.21Å; V559-F561 HydrophobicContact CG1-CE2 3.89Å; V559-F561 HydrophobicContact CG1-CZ 4.06Å; V559-F561 HydrophobicContact CG2-CE1 4.13Å; V559-F561 HydrophobicContact CG2-CE2 4.31Å; V559-F561 HydrophobicContact CG2-CZ 3.99Å
560	A	98.8	Very high	95.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	168.3	0	0	0	0	0	111.3	V446 C466 A548 L552 V562	V446-A560 PolarHBondContact N-O 2.82Å; V446-A560 PolarHBondContact O-N 3.47Å; C466-A560 HydrophobicContact CB-CB 4.08Å; C466-A560 WeakPolarHBondContact O-CA 3.29Å; A548-A560 WeakPolarHBondContact O-CB 3.27Å; L552-A560 HydrophobicContact CB-CB 3.76Å; L552-A560 HydrophobicContact CD2-CB 3.87Å; L552-A560 HydrophobicContact CG-CB 4.42Å; A560-V562 HydrophobicContact CB-CG1 4.38Å
561	F	98.5	Very high	95.8	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	108.4	175	-60.1	-75.2	0	0	0	109.8	V444 A445 L460 C466 H467 T468 G475 P479 F504 V559 L608	V444-F561 WeakPolarHBondContact O-CA 3.28Å; A445-F561 HydrophobicContact CB-CD1 3.79Å; A445-F561 HydrophobicContact CB-CE1 3.67Å; L460-F561 HydrophobicContact CD1-CZ 4.11Å; C466-F561 PolarHBondContact O-N 2.02Å; H467-F561 AromaticContact CE1-CD2 3.44Å; H467-F561 VanDerWaalsContact CE1-CD2 3.44Å; H467-F561 WeakPolarHBondContact CE1-CD2 3.39Å; H467-F561 AromaticContact CE1-CE2 3.59Å; H467-F561 AromaticContact ND1-CD2 3.61Å; T468-F561 WeakPolarHBondContact CG2-O 3.23Å; G475-F561 WeakPolarHBondContact CA-O 3.03Å; P479-F561 HydrophobicContact CB-CB 4.37Å; P479-F561 HydrophobicContact CB-CD1 3.5Å; P479-F561 HydrophobicContact CB-CD2 4.14Å; P479-F561 HydrophobicContact CB-CE1 3.65Å; P479-F561 HydrophobicContact CB-CE2 4.27Å; P479-F561 HydrophobicContact CB-CG 3.74Å; P479-F561 HydrophobicContact CB-CZ 4.04Å; P479-F561 HydrophobicContact CG-CB 4Å; P479-F561 HydrophobicContact CG-CD1 4.08Å; P479-F561 HydrophobicContact CG-CD2 4.32Å; P479-F561 HydrophobicContact CG-CG 3.88Å; F504-F561 AromaticContact CZ-CE2 3.95Å; F504-F561 HydrophobicContact CZ-CE2 3.95Å; F504-F561 HydrophobicContact CZ-CZ 4.07Å; V559-F561 HydrophobicContact CG1-CE2 3.89Å; V559-F561 HydrophobicContact CG1-CZ 4.06Å; V559-F561 HydrophobicContact CG2-CE1 4.13Å; V559-F561 HydrophobicContact CG2-CE2 4.31Å; V559-F561 HydrophobicContact CG2-CZ 3.99Å; F561-L608 HydrophobicContact CD1-CD1 3.91Å; F561-L608 HydrophobicContact CE1-CD1 4.15Å
562	V	97.1	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-179.2	-170.5	-65.4	0	0	0	0	111.3	V444 V446 T468 Y545 A548 A560 T566	V444-V562 HydrophobicContact CG2-CG2 4.18Å; V444-V562 WeakPolarHBondContact CG2-O 3.3Å; V444-V562 PolarHBondContact N-O 3.23Å; V444-V562 PolarHBondContact O-N 3.11Å; V446-V562 HydrophobicContact CG2-CG2 3.6Å; T468-V562 HydrophobicContact CG2-CG1 4.33Å; Y545-V562 HydrophobicContact CD1-CB 4.04Å; Y545-V562 HydrophobicContact CD1-CG1 4.39Å; A548-V562 HydrophobicContact CB-CG1 3.81Å; A560-V562 HydrophobicContact CB-CG1 4.38Å; V562-T566 HydrophobicContact CB-CG2 4.18Å; V562-T566 HydrophobicContact CG1-CG2 4.26Å; V562-T566 HydrophobicContact CG2-CG2 4.28Å
563	K	93.6	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	153.9	169.1	61.4	-178.6	174.2	-178.2	0	110.3	Y441 Y442 Y545 S565 T566 S664	Y441-K563 HydrophobicContact CD2-CB 3.61Å; Y441-K563 HydrophobicContact CE2-CB 3.96Å; Y441-K563 HydrophobicContact CG-CB 4.46Å; Y442-K563 CarbonylContact O-C 3.55Å; Y442-K563 WeakPolarHBondContact O-CA 3.47Å; Y545-K563 HydrophobicContact CD1-CB 4.21Å; Y545-K563 HydrophobicContact CD1-CD 4.25Å; Y545-K563 HydrophobicContact CD1-CG 3.76Å; Y545-K563 HydrophobicContact CD2-CD 4.15Å; Y545-K563 HydrophobicContact CE1-CB 3.87Å; Y545-K563 HydrophobicContact CE1-CD 4.31Å; Y545-K563 HydrophobicContact CE1-CG 3.87Å; Y545-K563 HydrophobicContact CE2-CD 4.22Å; Y545-K563 HydrophobicContact CG-CD 4.18Å; Y545-K563 HydrophobicContact CG-CG 4.12Å; K563-S565 VanDerWaalsContact CD-OG 3.25Å; K563-S565 WeakPolarHBondContact CD-OG 3.49Å; K563-S565 WeakPolarHBondContact CE-OG 2.98Å; K563-S565 PolarHBondContact O-N 3.38Å; K563-S565 VanDerWaalsContact O-N 3.13Å; K563-T566 WeakPolarHBondContact CE-OG1 3.44Å; K563-T566 WeakPolarHBondContact CG-OG1 3.46Å; K563-T566 WeakPolarHBondContact O-CB 3.25Å; K563-T566 PolarHBondContact O-N 3.5Å; K563-T566 VanDerWaalsContact O-N 3.1Å; K563-T566 PolarHBondContact O-OG1 3.15Å; K563-S664 PolarHBondContact NZ-OG 3.35Å
564	H	92.4	Very high	94.6	Very high	9 Å²	9	28.5 Å²	28.5	4%	0.042	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.9	179.2	66.9	-69.1	0	0	0	115.2	Y442 V444 F568 Y603	Y442-H564 PolarHBondContact N-ND1 2.92Å; Y442-H564 PolarHBondContact O-N 3.45Å; Y442-H564 PolarHBondContact O-ND1 2.94Å; V444-H564 HydrophobicContact CG1-CB 4.1Å; H564-F568 WeakPolarHBondContact O-CD2 3.21Å; H564-Y603 HydrophobicContact CB-CD1 4.06Å; H564-Y603 HydrophobicContact CB-CD2 3.7Å; H564-Y603 HydrophobicContact CB-CE2 4.43Å; H564-Y603 HydrophobicContact CB-CG 3.5Å; H564-Y603 AromaticContact CD2-CD1 3.93Å; H564-Y603 AromaticContact CD2-CD2 3.43Å; H564-Y603 VanDerWaalsContact CD2-CD2 3.43Å; H564-Y603 WeakPolarHBondContact CD2-CD2 3.46Å; H564-Y603 AromaticContact CD2-CE1 3.77Å; H564-Y603 AromaticContact CD2-CE2 3.24Å; H564-Y603 WeakPolarHBondContact CD2-CE2 3.47Å; H564-Y603 AromaticContact CD2-CG 3.8Å; H564-Y603 AromaticContact CD2-CZ 3.44Å; H564-Y603 VanDerWaalsContact CD2-CZ 3.44Å; H564-Y603 AromaticContact CG-CD2 3.62Å; H564-Y603 AromaticContact CG-CE2 3.91Å; H564-Y603 AromaticContact CG-CG 3.9Å; H564-Y603 AromaticContact NE2-CE2 3.78Å
565	S	91.4	Very high	94.1	Very high	16 Å²	16	26.3 Å²	26.3	11%	0.112	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-22.9	-179.6	68.6	0	0	0	0	113.4	K563 V567 F568 Q569	K563-S565 VanDerWaalsContact CD-OG 3.25Å; K563-S565 WeakPolarHBondContact CD-OG 3.49Å; K563-S565 WeakPolarHBondContact CE-OG 2.98Å; K563-S565 PolarHBondContact O-N 3.38Å; K563-S565 VanDerWaalsContact O-N 3.13Å; S565-V567 VanDerWaalsContact C-N 3.31Å; S565-V567 PolarHBondContact O-N 2.76Å; S565-F568 PolarHBondContact O-N 2.63Å; S565-F568 VanDerWaalsContact O-N 3.13Å; S565-Q569 WeakPolarHBondContact O-CG 3.19Å; S565-Q569 PolarHBondContact O-N 3.47Å; S565-Q569 PolarHBondContact OG-OE1 2.84Å; S565-Q569 VanDerWaalsContact OG-OE1 3.14Å
566	T	94.6	Very high	93.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-38.4	-169.6	-62.8	0	0	0	0	113.3	Y545 F549 V562 K563 Q569 N570	Y545-T566 WeakPolarHBondContact O-CG2 3.31Å; F549-T566 HydrophobicContact CB-CG2 3.68Å; F549-T566 HydrophobicContact CG-CG2 4.17Å; V562-T566 HydrophobicContact CB-CG2 4.18Å; V562-T566 HydrophobicContact CG1-CG2 4.26Å; V562-T566 HydrophobicContact CG2-CG2 4.28Å; K563-T566 WeakPolarHBondContact CE-OG1 3.44Å; K563-T566 WeakPolarHBondContact CG-OG1 3.46Å; K563-T566 WeakPolarHBondContact O-CB 3.25Å; K563-T566 PolarHBondContact O-N 3.5Å; K563-T566 VanDerWaalsContact O-N 3.1Å; K563-T566 PolarHBondContact O-OG1 3.15Å; T566-Q569 PolarHBondContact O-N 2.77Å; T566-N570 PolarHBondContact O-N 2.8Å; T566-N570 PolarHBondContact O-ND2 2.64Å
567	V	96.1	Very high	92.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-51.2	177.7	-178.9	0	0	0	0	109.7	V446 F549 S565 Q569 N570 T571 F588 V600	V446-V567 HydrophobicContact CG1-CG2 3.89Å; V446-V567 HydrophobicContact CG2-CG2 3.87Å; F549-V567 HydrophobicContact CD2-CG2 4.34Å; F549-V567 HydrophobicContact CE2-CB 4.47Å; F549-V567 HydrophobicContact CE2-CG1 4.39Å; F549-V567 HydrophobicContact CE2-CG2 3.89Å; F549-V567 HydrophobicContact CZ-CB 4.47Å; F549-V567 HydrophobicContact CZ-CG1 4.13Å; F549-V567 HydrophobicContact CZ-CG2 4.37Å; S565-V567 VanDerWaalsContact C-N 3.31Å; S565-V567 PolarHBondContact O-N 2.76Å; V567-Q569 VanDerWaalsContact C-N 3.3Å; V567-Q569 PolarHBondContact O-N 3.43Å; V567-N570 PolarHBondContact O-N 3.32Å; V567-N570 VanDerWaalsContact O-N 3.15Å; V567-T571 HydrophobicContact CG1-CG2 4.11Å; V567-T571 WeakPolarHBondContact O-CB 3.2Å; V567-T571 VanDerWaalsContact O-CG2 3.3Å; V567-T571 WeakPolarHBondContact O-CG2 3.2Å; V567-T571 PolarHBondContact O-N 3.05Å; V567-T571 VanDerWaalsContact O-N 3.15Å; V567-T571 PolarHBondContact O-OG1 3.01Å; V567-F588 HydrophobicContact CG1-CB 4.37Å; V567-F588 HydrophobicContact CG1-CD2 4.19Å; V567-F588 HydrophobicContact CG1-CG 4.48Å; V567-V600 HydrophobicContact CG1-CB 4.47Å; V567-V600 HydrophobicContact CG1-CG1 4.21Å; V567-V600 HydrophobicContact CG1-CG2 4.31Å; V567-V600 HydrophobicContact CG2-CG1 4.26Å
568	F	93.2	Very high	92.2	Very high	64 Å²	64	35.7 Å²	35.7	28%	0.281	21%	0.212	S	C	.	.	H	α-helix	trans	-62.3	-36.6	-178.1	-57.7	-69.5	0	0	0	112.8	H564 S565 N570 H574 V600 Y603	H564-F568 WeakPolarHBondContact O-CD2 3.21Å; S565-F568 PolarHBondContact O-N 2.63Å; S565-F568 VanDerWaalsContact O-N 3.13Å; F568-N570 VanDerWaalsContact C-N 3.29Å; F568-N570 PolarHBondContact O-N 2.85Å; F568-H574 PolarHBondContact O-ND1 2.89Å; F568-H574 VanDerWaalsContact O-ND1 3.16Å; F568-V600 HydrophobicContact CE1-CG2 3.86Å; F568-V600 HydrophobicContact CZ-CB 4.12Å; F568-V600 HydrophobicContact CZ-CG2 3.76Å; F568-Y603 HydrophobicContact CE2-CD1 4.3Å; F568-Y603 HydrophobicContact CE2-CE1 4.43Å
569	Q	89.1	Confident	91.9	Very high	37 Å²	37	36.1 Å²	36.1	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-31.9	177.3	-68.2	177.4	-85.7	0	0	113.3	S565 T566 V567 H574 S575 S664	S565-Q569 WeakPolarHBondContact O-CG 3.19Å; S565-Q569 PolarHBondContact O-N 3.47Å; S565-Q569 PolarHBondContact OG-OE1 2.84Å; S565-Q569 VanDerWaalsContact OG-OE1 3.14Å; T566-Q569 PolarHBondContact O-N 2.77Å; V567-Q569 VanDerWaalsContact C-N 3.3Å; V567-Q569 PolarHBondContact O-N 3.43Å; Q569-H574 CarbonylContact O-C 3.58Å; Q569-H574 WeakPolarHBondContact O-CB 3.29Å; Q569-S575 WeakPolarHBondContact O-CB 3.4Å; Q569-S575 PolarHBondContact O-N 3.49Å; Q569-S664 VanDerWaalsContact CD-CB 3.48Å; Q569-S664 VanDerWaalsContact NE2-CA 3.34Å
570	N	93.3	Very high	91.6	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.027	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	11.9	-172.1	-69.3	-76.9	0	0	0	113.4	D546 F549 T566 V567 F568 W579	D546-N570 PolarHBondContact OD1-ND2 3.1Å; F549-N570 HydrophobicContact CD1-CB 3.6Å; F549-N570 HydrophobicContact CE1-CB 3.64Å; T566-N570 PolarHBondContact O-N 2.8Å; T566-N570 PolarHBondContact O-ND2 2.64Å; V567-N570 PolarHBondContact O-N 3.32Å; V567-N570 VanDerWaalsContact O-N 3.15Å; F568-N570 VanDerWaalsContact C-N 3.29Å; F568-N570 PolarHBondContact O-N 2.85Å; N570-W579 HydrophobicContact CB-CH2 3.81Å; N570-W579 HydrophobicContact CB-CZ3 4.43Å; N570-W579 VanDerWaalsContact OD1-CH2 3.28Å; N570-W579 WeakPolarHBondContact OD1-CH2 3.24Å; N570-W579 VanDerWaalsContact OD1-CZ2 3.27Å; N570-W579 WeakPolarHBondContact OD1-CZ2 3.31Å
571	T	95.4	Very high	91.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	24%	0.242	C	C	.	.	S	Bend	trans	-135.7	172.2	-179.4	58.5	0	0	0	0	110.6	F549 V567 G573 H574 L583 S585 F588	F549-T571 HydrophobicContact CE1-CG2 3.95Å; F549-T571 HydrophobicContact CZ-CG2 3.88Å; V567-T571 HydrophobicContact CG1-CG2 4.11Å; V567-T571 WeakPolarHBondContact O-CB 3.2Å; V567-T571 VanDerWaalsContact O-CG2 3.3Å; V567-T571 WeakPolarHBondContact O-CG2 3.2Å; V567-T571 PolarHBondContact O-N 3.05Å; V567-T571 VanDerWaalsContact O-N 3.15Å; V567-T571 PolarHBondContact O-OG1 3.01Å; T571-G573 PolarHBondContact O-N 2.98Å; T571-G573 VanDerWaalsContact O-N 3.09Å; T571-H574 PolarHBondContact O-N 2.99Å; T571-H574 VanDerWaalsContact O-N 3.17Å; T571-H574 PolarHBondContact O-ND1 3.44Å; T571-L583 WeakPolarHBondContact CA-O 3.43Å; T571-L583 HydrophobicContact CG2-CB 3.76Å; T571-S585 WeakPolarHBondContact OG1-CB 3.12Å; T571-F588 HydrophobicContact CG2-CD2 4.34Å; T571-F588 HydrophobicContact CG2-CE2 3.96Å
572	D	95.1	Very high	91	Very high	74 Å²	74	43.3 Å²	43.3	40%	0.396	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	27.5	174.6	-51.4	-32.2	0	0	0	113.6	L583 V584 S585	D572-L583 PolarHBondContact N-O 3.33Å; D572-V584 WeakPolarHBondContact OD1-CA 3.41Å; D572-V584 WeakPolarHBondContact OD1-CG1 3.08Å; D572-S585 PolarHBondContact OD1-N 3.11Å; D572-S585 PolarHBondContact OD1-OG 3.17Å; D572-S585 WeakPolarHBondContact OD2-CB 3.41Å; D572-S585 PolarHBondContact OD2-OG 3.43Å
573	G	89	Confident	91	Very high	74 Å²	74	44.9 Å²	44.9	76%	0.763	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	9.3	177.9	0	0	0	0	0	115.7	T571	T571-G573 PolarHBondContact O-N 2.98Å; T571-G573 VanDerWaalsContact O-N 3.09Å
574	H	86.1	Confident	91.2	Very high	133 Å²	133	47.8 Å²	47.8	62%	0.616	30%	0.304	S	S	*	.			trans	-77.5	-21.8	179.5	-61.8	99.3	0	0	0	114	F568 Q569 T571	F568-H574 PolarHBondContact O-ND1 2.89Å; F568-H574 VanDerWaalsContact O-ND1 3.16Å; Q569-H574 CarbonylContact O-C 3.58Å; Q569-H574 WeakPolarHBondContact O-CB 3.29Å; T571-H574 PolarHBondContact O-N 2.99Å; T571-H574 VanDerWaalsContact O-N 3.17Å; T571-H574 PolarHBondContact O-ND1 3.44Å
575	S	83.9	Confident	91.4	Very high	20 Å²	20	48 Å²	48	14%	0.14	31%	0.307	C	S	.	.			trans	-104.1	136.7	174.4	-179.6	0	0	0	0	110.8	Q569 E577	Q569-S575 WeakPolarHBondContact O-CB 3.4Å; Q569-S575 PolarHBondContact O-N 3.49Å; S575-E577 VanDerWaalsContact C-N 3.33Å; S575-E577 WeakPolarHBondContact OG-CB 3.26Å; S575-E577 PolarHBondContact OG-N 2.92Å
576	T	79.9	Confident	91.7	Very high	101 Å²	101	50.9 Å²	50.9	62%	0.62	32%	0.324	S	S	*	.			trans	-86.9	-8.6	175.4	58.9	0	0	0	0	112.4	Q652	T576-Q652 PolarHBondContact OG1-NE2 3.41Å; T576-Q652 PolarHBondContact OG1-OE1 3.37Å
577	E	83.9	Confident	91.8	Very high	73 Å²	73	55 Å²	55	34%	0.341	35%	0.346	S	S	.	.			trans	-64.9	135.6	-178.2	-74.1	-75.8	107.7	0	0	110.9	S575 W579 A580 A581	S575-E577 VanDerWaalsContact C-N 3.33Å; S575-E577 WeakPolarHBondContact OG-CB 3.26Å; S575-E577 PolarHBondContact OG-N 2.92Å; E577-W579 HydrophobicContact CB-CG 4.42Å; E577-W579 PolarHBondContact O-N 2.73Å; E577-W579 VanDerWaalsContact O-N 3.15Å; E577-W579 PolarHBondContact OE2-NE1 3.47Å; E577-A580 HydrophobicContact CB-CB 4.39Å; E577-A580 PolarHBondContact O-N 2.86Å; E577-A581 PolarHBondContact O-N 3.33Å
578	S	88.6	Confident	91.9	Very high	107 Å²	107	55.2 Å²	55.2	75%	0.748	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-30.8	-176.4	59.8	0	0	0	0	113.7	A580 A581	S578-A580 VanDerWaalsContact C-N 3.32Å; S578-A581 WeakPolarHBondContact O-CB 3.19Å; S578-A581 PolarHBondContact O-N 3.13Å
579	W	91.3	Very high	92.2	Very high	41 Å²	41	53.2 Å²	53.2	16%	0.155	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23.4	178.8	69.4	-95	0	0	0	113.2	D546 F549 R550 A553 N570 E577 L583	D546-W579 HydrophobicContact CB-CZ2 4.23Å; F549-W579 HydrophobicContact CD1-CH2 4.06Å; F549-W579 HydrophobicContact CD1-CZ3 4.1Å; R550-W579 HydrophobicContact CB-CD2 3.99Å; R550-W579 HydrophobicContact CB-CE3 3.74Å; R550-W579 HydrophobicContact CB-CH2 3.86Å; R550-W579 HydrophobicContact CB-CZ2 4.12Å; R550-W579 HydrophobicContact CB-CZ3 3.68Å; R550-W579 HydrophobicContact CG-CB 4.41Å; R550-W579 HydrophobicContact CG-CD2 3.55Å; R550-W579 HydrophobicContact CG-CE3 3.55Å; R550-W579 HydrophobicContact CG-CG 3.93Å; R550-W579 HydrophobicContact CG-CZ3 4.05Å; A553-W579 HydrophobicContact CB-CZ3 4.42Å; N570-W579 HydrophobicContact CB-CH2 3.81Å; N570-W579 HydrophobicContact CB-CZ3 4.43Å; N570-W579 VanDerWaalsContact OD1-CH2 3.28Å; N570-W579 WeakPolarHBondContact OD1-CH2 3.24Å; N570-W579 VanDerWaalsContact OD1-CZ2 3.27Å; N570-W579 WeakPolarHBondContact OD1-CZ2 3.31Å; E577-W579 HydrophobicContact CB-CG 4.42Å; E577-W579 PolarHBondContact O-N 2.73Å; E577-W579 VanDerWaalsContact O-N 3.15Å; E577-W579 PolarHBondContact OE2-NE1 3.47Å; W579-L583 HydrophobicContact CE3-CD1 4.27Å; W579-L583 HydrophobicContact CZ3-CD1 4Å
580	A	92.8	Very high	92.6	Very high	5 Å²	5	51.7 Å²	51.7	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.4	178.9	0	0	0	0	0	112.3	E577 S578 G582 L583	E577-A580 HydrophobicContact CB-CB 4.39Å; E577-A580 PolarHBondContact O-N 2.86Å; S578-A580 VanDerWaalsContact C-N 3.32Å; A580-G582 PolarHBondContact O-N 2.77Å; A580-L583 HydrophobicContact CB-CD1 4.34Å; A580-L583 WeakPolarHBondContact O-CG 3.36Å; A580-L583 PolarHBondContact O-N 3.36Å; A580-L583 VanDerWaalsContact O-N 3.14Å
581	A	92.1	Very high	92.8	Very high	74 Å²	74	51.4 Å²	51.4	61%	0.612	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	121.5	-179.7	0	0	0	0	0	111.3	E577 S578 L583	E577-A581 PolarHBondContact O-N 3.33Å; S578-A581 WeakPolarHBondContact O-CB 3.19Å; S578-A581 PolarHBondContact O-N 3.13Å; A581-L583 VanDerWaalsContact C-N 3.34Å
582	G	92.3	Very high	92.7	Very high	75 Å²	75	51.8 Å²	51.8	77%	0.773	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	2.2	177.5	0	0	0	0	0	115.6	A580	A580-G582 PolarHBondContact O-N 2.77Å
583	L	96.8	Very high	92.2	Very high	33 Å²	33	50.1 Å²	50.1	17%	0.173	33%	0.327	C	S	.	.			trans	-70.6	134.8	172	-60.9	-179.1	0	0	0	110.9	F549 A553 T571 D572 W579 A580 A581	F549-L583 HydrophobicContact CE1-CD1 4.14Å; A553-L583 HydrophobicContact CB-CD1 3.8Å; A553-L583 HydrophobicContact CB-CD2 4.26Å; T571-L583 WeakPolarHBondContact CA-O 3.43Å; T571-L583 HydrophobicContact CG2-CB 3.76Å; D572-L583 PolarHBondContact N-O 3.33Å; W579-L583 HydrophobicContact CE3-CD1 4.27Å; W579-L583 HydrophobicContact CZ3-CD1 4Å; A580-L583 HydrophobicContact CB-CD1 4.34Å; A580-L583 WeakPolarHBondContact O-CG 3.36Å; A580-L583 PolarHBondContact O-N 3.36Å; A580-L583 VanDerWaalsContact O-N 3.14Å; A581-L583 VanDerWaalsContact C-N 3.34Å
584	V	97.3	Very high	91.8	Very high	60 Å²	60	54.8 Å²	54.8	36%	0.364	33%	0.329	S	S	.	.			trans	-113.8	132.6	178.3	-171	0	0	0	0	109.5	D572 T586 D587 F588	D572-V584 WeakPolarHBondContact OD1-CA 3.41Å; D572-V584 WeakPolarHBondContact OD1-CG1 3.08Å; V584-T586 VanDerWaalsContact CG1-OG1 3.3Å; V584-T586 WeakPolarHBondContact CG1-OG1 3.3Å; V584-T586 PolarHBondContact O-N 3.09Å; V584-T586 VanDerWaalsContact O-N 3.17Å; V584-D587 WeakPolarHBondContact O-CB 3.43Å; V584-D587 PolarHBondContact O-N 3.02Å; V584-D587 VanDerWaalsContact O-N 3.07Å; V584-F588 WeakPolarHBondContact O-CD2 3.4Å
585	S	97.1	Very high	91.7	Very high	14 Å²	14	49.9 Å²	49.9	10%	0.098	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-60	-30.8	-175.7	58.9	0	0	0	0	113.1	T571 D572 D587 F588	T571-S585 WeakPolarHBondContact OG1-CB 3.12Å; D572-S585 PolarHBondContact OD1-N 3.11Å; D572-S585 PolarHBondContact OD1-OG 3.17Å; D572-S585 WeakPolarHBondContact OD2-CB 3.41Å; D572-S585 PolarHBondContact OD2-OG 3.43Å; S585-D587 PolarHBondContact O-N 2.85Å; S585-F588 PolarHBondContact O-N 2.59Å
586	T	97.3	Very high	92	Very high	77 Å²	77	52.6 Å²	52.6	47%	0.472	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-70.3	-10.4	179.5	56.2	0	0	0	0	114.5	K449 V584 F588	K449-T586 VanDerWaalsContact CD-O 3.24Å; K449-T586 WeakPolarHBondContact CD-O 3.47Å; V584-T586 VanDerWaalsContact CG1-OG1 3.3Å; V584-T586 WeakPolarHBondContact CG1-OG1 3.3Å; V584-T586 PolarHBondContact O-N 3.09Å; V584-T586 VanDerWaalsContact O-N 3.17Å; T586-F588 PolarHBondContact O-N 3.08Å
587	D	97.8	Very high	92.7	Very high	87 Å²	87	50.9 Å²	50.9	47%	0.465	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-80.4	-2.8	174.7	-65.5	-21.1	0	0	0	112.5	K449 V584 S585	K449-D587 VanDerWaalsContact CB-O 3.26Å; K449-D587 WeakPolarHBondContact CB-O 3.35Å; K449-D587 PolarHBondContact N-O 3.3Å; V584-D587 WeakPolarHBondContact O-CB 3.43Å; V584-D587 PolarHBondContact O-N 3.02Å; V584-D587 VanDerWaalsContact O-N 3.07Å; S585-D587 PolarHBondContact O-N 2.85Å
588	F	98.4	Very high	93.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153	-178.4	-57.2	-84.4	0	0	0	111.5	V446 V447 K448 F549 L552 A553 V567 T571 V584 S585 T586 V600	V446-F588 HydrophobicContact CG1-CB 3.89Å; V446-F588 HydrophobicContact CG1-CD1 4.1Å; V446-F588 HydrophobicContact CG1-CG 4.32Å; V447-F588 CarbonylContact O-C 3.36Å; V447-F588 WeakPolarHBondContact O-CA 3.07Å; K448-F588 HydrophobicContact CG-CD1 4.23Å; K448-F588 HydrophobicContact CG-CE1 3.96Å; F549-F588 HydrophobicContact CE1-CZ 4.49Å; F549-F588 AromaticContact CE2-CD1 3.81Å; F549-F588 HydrophobicContact CE2-CD1 3.81Å; F549-F588 HydrophobicContact CE2-CD2 4.31Å; F549-F588 AromaticContact CE2-CE1 3.7Å; F549-F588 HydrophobicContact CE2-CE1 3.7Å; F549-F588 HydrophobicContact CE2-CE2 4.24Å; F549-F588 HydrophobicContact CE2-CG 4.11Å; F549-F588 AromaticContact CE2-CZ 3.92Å; F549-F588 HydrophobicContact CE2-CZ 3.92Å; F549-F588 HydrophobicContact CZ-CD1 4.19Å; F549-F588 AromaticContact CZ-CD2 3.98Å; F549-F588 HydrophobicContact CZ-CD2 3.98Å; F549-F588 AromaticContact CZ-CE1 3.84Å; F549-F588 HydrophobicContact CZ-CE1 3.84Å; F549-F588 AromaticContact CZ-CE2 3.63Å; F549-F588 HydrophobicContact CZ-CE2 3.63Å; F549-F588 HydrophobicContact CZ-CG 4.25Å; F549-F588 AromaticContact CZ-CZ 3.54Å; F549-F588 HydrophobicContact CZ-CZ 3.54Å; L552-F588 HydrophobicContact CD2-CD1 4.11Å; L552-F588 HydrophobicContact CD2-CE1 4.24Å; L552-F588 HydrophobicContact CG-CE1 4.43Å; A553-F588 HydrophobicContact CB-CZ 4.42Å; V567-F588 HydrophobicContact CG1-CB 4.37Å; V567-F588 HydrophobicContact CG1-CD2 4.19Å; V567-F588 HydrophobicContact CG1-CG 4.48Å; T571-F588 HydrophobicContact CG2-CD2 4.34Å; T571-F588 HydrophobicContact CG2-CE2 3.96Å; V584-F588 WeakPolarHBondContact O-CD2 3.4Å; S585-F588 PolarHBondContact O-N 2.59Å; T586-F588 PolarHBondContact O-N 3.08Å; F588-V600 HydrophobicContact CB-CG1 4.01Å
589	Q	97.9	Very high	93.7	Very high	23 Å²	23	45.4 Å²	45.4	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	161.9	175.7	-67.1	-169.6	-53.3	0	0	110.6	V446 V447 K449 A598 E599	V446-Q589 WeakPolarHBondContact CA-O 3.39Å; V447-Q589 HydrophobicContact CG2-CB 4.27Å; V447-Q589 PolarHBondContact N-O 3.35Å; V447-Q589 PolarHBondContact O-N 2.86Å; K449-Q589 HydrophobicContact CB-CG 4.02Å; K449-Q589 HydrophobicContact CD-CG 3.94Å; K449-Q589 HydrophobicContact CG-CG 3.89Å; Q589-A598 WeakPolarHBondContact CA-O 3.45Å; Q589-E599 PolarHBondContact NE2-OE1 3.12Å
590	L	98.3	Very high	93.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.5	176.1	-53.8	-177.3	0	0	0	110.5	V444 A445 V446 K597 A598 V600 C606	V444-L590 HydrophobicContact CB-CD2 4.02Å; V444-L590 HydrophobicContact CG1-CD1 4.25Å; V444-L590 HydrophobicContact CG2-CD2 4.08Å; A445-L590 CarbonylContact O-C 3.59Å; A445-L590 WeakPolarHBondContact O-CA 3.44Å; V446-L590 HydrophobicContact CG2-CD2 3.92Å; L590-K597 VanDerWaalsContact O-CA 3.23Å; L590-K597 WeakPolarHBondContact O-CA 3.29Å; L590-A598 PolarHBondContact N-O 2.91Å; L590-A598 PolarHBondContact O-N 3.3Å; L590-V600 HydrophobicContact CD2-CB 4.47Å; L590-V600 HydrophobicContact CD2-CG1 3.93Å; L590-V600 HydrophobicContact CG-CG1 4.22Å; L590-C606 HydrophobicContact CB-CB 4.47Å; L590-C606 VanDerWaalsContact CB-SG 3.58Å; L590-C606 HydrophobicContact CD1-CB 4.49Å; L590-C606 WeakPolarHBondContact CD1-O 2.83Å
591	L	97.1	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124	164.1	-58.6	174.6	0	0	0	109.2	A445 V447 I454 L457 L460 K597	A445-L591 HydrophobicContact CB-CB 4.08Å; A445-L591 HydrophobicContact CB-CD1 4.46Å; A445-L591 PolarHBondContact O-N 2.99Å; V447-L591 HydrophobicContact CG1-CD1 3.72Å; V447-L591 HydrophobicContact CG1-CD2 4.39Å; V447-L591 HydrophobicContact CG1-CG 3.9Å; V447-L591 HydrophobicContact CG2-CD2 4.24Å; V447-L591 HydrophobicContact CG2-CG 4.31Å; I454-L591 HydrophobicContact CG2-CD1 3.91Å; I454-L591 HydrophobicContact CG2-CD2 4.01Å; L457-L591 HydrophobicContact CD2-CB 4.2Å; L457-L591 HydrophobicContact CD2-CD1 4.07Å; L460-L591 HydrophobicContact CD1-CD1 3.98Å; L460-L591 HydrophobicContact CD2-CD1 4.02Å; L460-L591 HydrophobicContact CG-CD1 4.16Å; L591-K597 HydrophobicContact CD2-CD 4.11Å; L591-K597 HydrophobicContact CD2-CG 3.94Å
592	C	93.4	Very high	94.2	Very high	9 Å²	9	48 Å²	48	6%	0.061	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-91.1	148.6	-179.2	-41.6	0	0	0	0	110.7	Q594 G595 T596 C606	C592-Q594 PolarHBondContact O-N 2.84Å; C592-G595 PolarHBondContact O-N 3.46Å; C592-T596 WeakPolarHBondContact CB-O 3.33Å; C592-T596 WeakPolarHBondContact CB-OG1 3.31Å; C592-T596 PolarHBondContact N-O 3.2Å; C592-T596 PolarHBondContact SG-O 2.97Å; C592-T596 PolarHBondContact SG-OG1 3.12Å; C592-T596 VanDerWaalsContact SG-OG1 3.33Å; C592-C606 WeakPolarHBondContact CA-SG 3.46Å; C592-C606 HydrophobicContact CB-CB 4.03Å; C592-C606 WeakPolarHBondContact CB-SG 3.31Å; C592-C606 PolarHBondContact N-SG 3.4Å; C592-C606 VanDerWaalsContact N-SG 3.38Å; C592-C606 WeakPolarHBondContact SG-CB 3.3Å; C592-C606 CovalentContact SG-SG 2.03Å; C592-C606 PolarHBondContact SG-SG 2.99Å
593	S	85.1	Confident	94.3	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13	175.4	-56.9	0	0	0	0	114.5	R486 N607 L608	R486-S593 PolarHBondContact NE-O 3.26Å; R486-S593 VanDerWaalsContact NH2-C 3.27Å; R486-S593 PolarHBondContact NH2-O 3.07Å; S593-N607 PolarHBondContact OG-O 3.35Å; S593-L608 WeakPolarHBondContact OG-CA 3.1Å
594	Q	81.2	Confident	94	Very high	172 Å²	172	50 Å²	50	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	7.8	176.6	-58.9	-60.8	-27.7	0	0	113.6	C592	C592-Q594 PolarHBondContact O-N 2.84Å
595	G	83.6	Confident	93.7	Very high	29 Å²	29	54.5 Å²	54.5	30%	0.299	29%	0.291	S	S	.	.	S	Bend	trans	81.5	19.6	176.2	0	0	0	0	0	114.8	R486 C592	R486-G595 VanDerWaalsContact NH2-N 3.12Å; C592-G595 PolarHBondContact O-N 3.46Å
596	T	89.4	Confident	93.7	Very high	77 Å²	77	54 Å²	54	47%	0.472	29%	0.287	S	S	.	.			trans	-111.1	171.4	174.9	59.3	0	0	0	0	111.1	C592	C592-T596 WeakPolarHBondContact CB-O 3.33Å; C592-T596 WeakPolarHBondContact CB-OG1 3.31Å; C592-T596 PolarHBondContact N-O 3.2Å; C592-T596 PolarHBondContact SG-O 2.97Å; C592-T596 PolarHBondContact SG-OG1 3.12Å; C592-T596 VanDerWaalsContact SG-OG1 3.33Å
597	K	94.3	Very high	93.5	Very high	66 Å²	66	51.7 Å²	51.7	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.8	167.6	-64.9	-163.5	-70.9	178.6	0	111.5	I454 R455 L590 L591	I454-K597 PolarHBondContact O-NZ 3.33Å; R455-K597 WeakPolarHBondContact O-CG 2.91Å; L590-K597 VanDerWaalsContact O-CA 3.23Å; L590-K597 WeakPolarHBondContact O-CA 3.29Å; L591-K597 HydrophobicContact CD2-CD 4.11Å; L591-K597 HydrophobicContact CD2-CG 3.94Å
598	A	96.5	Very high	93.3	Very high	10 Å²	10	48.5 Å²	48.5	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161.3	170.9	0	0	0	0	0	111.4	Q589 L590 Q602 C606	Q589-A598 WeakPolarHBondContact CA-O 3.45Å; L590-A598 PolarHBondContact N-O 2.91Å; L590-A598 PolarHBondContact O-N 3.3Å; A598-Q602 HydrophobicContact CB-CB 4.03Å; A598-C606 HydrophobicContact CB-CB 3.53Å
599	E	97.3	Very high	92.9	Very high	54 Å²	54	49.8 Å²	49.8	25%	0.252	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	151.6	169.7	-60.8	-62.6	128	0	0	110.2	K449 Q589 S601 Q602	K449-E599 VanDerWaalsContact NZ-CD 3.35Å; K449-E599 IonicContact NZ-OE1 3.3Å; K449-E599 PolarHBondContact NZ-OE1 3.27Å; K449-E599 IonicContact NZ-OE2 3.04Å; K449-E599 PolarHBondContact NZ-OE2 3.18Å; K449-E599 VanDerWaalsContact NZ-OE2 3.13Å; Q589-E599 PolarHBondContact NE2-OE1 3.12Å; E599-S601 PolarHBondContact O-N 2.82Å; E599-S601 VanDerWaalsContact O-N 3.09Å; E599-Q602 WeakPolarHBondContact O-CB 3.4Å; E599-Q602 PolarHBondContact O-N 3.26Å
600	V	96.6	Very high	92.4	Very high	7 Å²	7	54.4 Å²	54.4	4%	0.042	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58.9	-26.3	-175.6	-64.9	0	0	0	0	113.8	V567 F568 F588 L590 Q602 Y603	V567-V600 HydrophobicContact CG1-CB 4.47Å; V567-V600 HydrophobicContact CG1-CG1 4.21Å; V567-V600 HydrophobicContact CG1-CG2 4.31Å; V567-V600 HydrophobicContact CG2-CG1 4.26Å; F568-V600 HydrophobicContact CE1-CG2 3.86Å; F568-V600 HydrophobicContact CZ-CB 4.12Å; F568-V600 HydrophobicContact CZ-CG2 3.76Å; F588-V600 HydrophobicContact CB-CG1 4.01Å; L590-V600 HydrophobicContact CD2-CB 4.47Å; L590-V600 HydrophobicContact CD2-CG1 3.93Å; L590-V600 HydrophobicContact CG-CG1 4.22Å; V600-Q602 PolarHBondContact O-N 3.27Å; V600-Y603 WeakPolarHBondContact O-CD1 3.21Å
601	S	95.1	Very high	91.9	Very high	80 Å²	80	54.4 Å²	54.4	56%	0.559	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-69.8	-17.6	175.3	58.2	0	0	0	0	114.1	E599 Y603	E599-S601 PolarHBondContact O-N 2.82Å; E599-S601 VanDerWaalsContact O-N 3.09Å; S601-Y603 VanDerWaalsContact C-N 3.29Å; S601-Y603 PolarHBondContact O-N 2.84Å
602	Q	95.5	Very high	91.5	Very high	89 Å²	89	54.8 Å²	54.8	42%	0.416	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-92.7	18.8	-178.5	-58.6	-177.9	42	0	0	112.8	A598 E599 V600 R604 L605 C606	A598-Q602 HydrophobicContact CB-CB 4.03Å; E599-Q602 WeakPolarHBondContact O-CB 3.4Å; E599-Q602 PolarHBondContact O-N 3.26Å; V600-Q602 PolarHBondContact O-N 3.27Å; Q602-R604 PolarHBondContact O-N 3.16Å; Q602-L605 PolarHBondContact O-N 3.24Å; Q602-C606 PolarHBondContact O-N 2.85Å
603	Y	93.6	Very high	91.4	Very high	37 Å²	37	54.4 Å²	54.4	15%	0.145	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.8	-177.1	62.3	-98.9	0	0	0	114.2	Y442 H564 F568 V600 S601 L605 C606 N607	Y442-Y603 AromaticContact CD2-CD2 3.54Å; Y442-Y603 HydrophobicContact CD2-CD2 3.54Å; Y442-Y603 AromaticContact CD2-CE2 3.71Å; Y442-Y603 HydrophobicContact CD2-CE2 3.71Å; Y442-Y603 HydrophobicContact CE2-CD2 4.09Å; Y442-Y603 AromaticContact CE2-CE2 3.93Å; Y442-Y603 HydrophobicContact CE2-CE2 3.93Å; Y442-Y603 HydrophobicContact CG-CD2 4.02Å; H564-Y603 HydrophobicContact CB-CD1 4.06Å; H564-Y603 HydrophobicContact CB-CD2 3.7Å; H564-Y603 HydrophobicContact CB-CE2 4.43Å; H564-Y603 HydrophobicContact CB-CG 3.5Å; H564-Y603 AromaticContact CD2-CD1 3.93Å; H564-Y603 AromaticContact CD2-CD2 3.43Å; H564-Y603 VanDerWaalsContact CD2-CD2 3.43Å; H564-Y603 WeakPolarHBondContact CD2-CD2 3.46Å; H564-Y603 AromaticContact CD2-CE1 3.77Å; H564-Y603 AromaticContact CD2-CE2 3.24Å; H564-Y603 WeakPolarHBondContact CD2-CE2 3.47Å; H564-Y603 AromaticContact CD2-CG 3.8Å; H564-Y603 AromaticContact CD2-CZ 3.44Å; H564-Y603 VanDerWaalsContact CD2-CZ 3.44Å; H564-Y603 AromaticContact CG-CD2 3.62Å; H564-Y603 AromaticContact CG-CE2 3.91Å; H564-Y603 AromaticContact CG-CG 3.9Å; H564-Y603 AromaticContact NE2-CE2 3.78Å; F568-Y603 HydrophobicContact CE2-CD1 4.3Å; F568-Y603 HydrophobicContact CE2-CE1 4.43Å; V600-Y603 WeakPolarHBondContact O-CD1 3.21Å; S601-Y603 VanDerWaalsContact C-N 3.29Å; S601-Y603 PolarHBondContact O-N 2.84Å; Y603-L605 VanDerWaalsContact C-N 3.26Å; Y603-L605 PolarHBondContact O-N 3.38Å; Y603-C606 WeakPolarHBondContact CA-O 3.16Å; Y603-C606 CarbonylContact O-C 3.38Å; Y603-C606 VanDerWaalsContact O-C 3.3Å; Y603-C606 PolarHBondContact O-N 3.07Å; Y603-N607 WeakPolarHBondContact O-CB 3.27Å; Y603-N607 PolarHBondContact O-ND2 3.45Å
604	R	91.1	Very high	91.8	Very high	113 Å²	113	52.7 Å²	52.7	43%	0.426	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.7	177.6	-63.9	175.1	174.3	-86.7	-5.3	112.6	E435 Y442 Q602 N607	E435-R604 IonicContact OE1-CZ 2.81Å; E435-R604 IonicContact OE1-NH1 3.13Å; E435-R604 PolarHBondContact OE1-NH1 3.13Å; E435-R604 IonicContact OE1-NH2 2.86Å; E435-R604 PolarHBondContact OE1-NH2 3Å; Y442-R604 HydrophobicContact CE2-CG 4.24Å; Q602-R604 PolarHBondContact O-N 3.16Å; R604-N607 PolarHBondContact O-ND2 3.46Å
605	L	92.1	Very high	92.5	Very high	154 Å²	154	44.5 Å²	44.5	81%	0.806	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-28.4	178.7	-60.3	175.6	0	0	0	111.7	Q602 Y603	Q602-L605 PolarHBondContact O-N 3.24Å; Y603-L605 VanDerWaalsContact C-N 3.26Å; Y603-L605 PolarHBondContact O-N 3.38Å
606	C	95.3	Very high	93.2	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	22%	0.218	C	C	.	.	S	Bend	trans	-122.1	90.6	-177.3	-174.9	0	0	0	0	110.7	L590 C592 A598 Q602 Y603	L590-C606 HydrophobicContact CB-CB 4.47Å; L590-C606 VanDerWaalsContact CB-SG 3.58Å; L590-C606 HydrophobicContact CD1-CB 4.49Å; L590-C606 WeakPolarHBondContact CD1-O 2.83Å; C592-C606 WeakPolarHBondContact CA-SG 3.46Å; C592-C606 HydrophobicContact CB-CB 4.03Å; C592-C606 WeakPolarHBondContact CB-SG 3.31Å; C592-C606 PolarHBondContact N-SG 3.4Å; C592-C606 VanDerWaalsContact N-SG 3.38Å; C592-C606 WeakPolarHBondContact SG-CB 3.3Å; C592-C606 CovalentContact SG-SG 2.03Å; C592-C606 PolarHBondContact SG-SG 2.99Å; A598-C606 HydrophobicContact CB-CB 3.53Å; Q602-C606 PolarHBondContact O-N 2.85Å; Y603-C606 WeakPolarHBondContact CA-O 3.16Å; Y603-C606 CarbonylContact O-C 3.38Å; Y603-C606 VanDerWaalsContact O-C 3.3Å; Y603-C606 PolarHBondContact O-N 3.07Å
607	N	94.4	Very high	93.6	Very high	29 Å²	29	39.4 Å²	39.4	16%	0.155	20%	0.195	C	C	.	.			trans	-145.1	164.3	175.4	57.6	91.5	0	0	0	109.7	Y442 A443 V444 S593 Y603 R604 A609	Y442-N607 HydrophobicContact CD1-CB 4.11Å; Y442-N607 WeakPolarHBondContact CD1-ND2 3.49Å; A443-N607 WeakPolarHBondContact O-CB 3.07Å; V444-N607 HydrophobicContact CG1-CB 4.02Å; S593-N607 PolarHBondContact OG-O 3.35Å; Y603-N607 WeakPolarHBondContact O-CB 3.27Å; Y603-N607 PolarHBondContact O-ND2 3.45Å; R604-N607 PolarHBondContact O-ND2 3.46Å; N607-A609 VanDerWaalsContact OD1-C 3.28Å; N607-A609 WeakPolarHBondContact OD1-CA 3.35Å; N607-A609 PolarHBondContact OD1-N 2.88Å
608	L	92.9	Very high	93.8	Very high	20 Å²	20	36.3 Å²	36.3	11%	0.105	18%	0.181	C	C	.	.	S	Bend	trans	-76.9	-46.2	171.9	-61.1	-176.3	0	0	0	110.8	A443 A445 L457 V478 P479 F561 S593	A443-L608 PolarHBondContact O-N 3.49Å; A445-L608 HydrophobicContact CB-CD1 4.19Å; A445-L608 HydrophobicContact CB-CD2 4.4Å; A445-L608 HydrophobicContact CB-CG 4.4Å; L457-L608 HydrophobicContact CD1-CD2 3.87Å; L457-L608 HydrophobicContact CD2-CD2 4.27Å; V478-L608 HydrophobicContact CG1-CB 3.47Å; V478-L608 VanDerWaalsContact CG1-CB 3.47Å; V478-L608 HydrophobicContact CG1-CD1 4.17Å; V478-L608 HydrophobicContact CG1-CG 4.49Å; P479-L608 HydrophobicContact CB-CD1 4.22Å; F561-L608 HydrophobicContact CD1-CD1 3.91Å; F561-L608 HydrophobicContact CE1-CD1 4.15Å; S593-L608 WeakPolarHBondContact OG-CA 3.1Å
609	A	90.3	Very high	93.8	Very high	31 Å²	31	37.4 Å²	37.4	26%	0.256	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.2	176.2	0	0	0	0	0	111.5	A443 V478 N607 V611	A443-A609 PolarHBondContact N-O 3.5Å; V478-A609 HydrophobicContact CG1-CB 3.81Å; V478-A609 HydrophobicContact CG2-CB 4.22Å; N607-A609 VanDerWaalsContact OD1-C 3.28Å; N607-A609 WeakPolarHBondContact OD1-CA 3.35Å; N607-A609 PolarHBondContact OD1-N 2.88Å; A609-V611 HydrophobicContact CB-CG1 3.98Å
610	R	88	Confident	93.5	Very high	120 Å²	120	37.7 Å²	37.7	45%	0.453	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.3	160.8	-176.7	179.4	-178.6	-117.8	6.6	107.9	D437 S440 Y442	D437-R610 IonicContact OD2-CZ 3.82Å; D437-R610 IonicContact OD2-NH1 3.11Å; D437-R610 IonicContact OD2-NH2 3.9Å; D437-R610 PolarHBondContact OD2-NH2 3.28Å; S440-R610 PolarHBondContact OG-NE 3.48Å; S440-R610 PolarHBondContact OG-NH2 3.43Å; Y442-R610 HydrophobicContact CD1-CB 4.05Å; Y442-R610 HydrophobicContact CD1-CG 4.36Å; Y442-R610 HydrophobicContact CE1-CB 3.96Å; Y442-R610 HydrophobicContact CE1-CG 4.06Å
611	V	87.7	Confident	93.1	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.2	-170.1	-70.9	0	0	0	0	112.2	S440 Y441 A443 T473 V478 A609 Y685	S440-V611 CarbonylContact C-O 3.5Å; S440-V611 WeakPolarHBondContact CA-O 3.43Å; S440-V611 VanDerWaalsContact CB-O 3.27Å; S440-V611 WeakPolarHBondContact CB-O 3.46Å; Y441-V611 HydrophobicContact CD1-CG2 4.18Å; Y441-V611 HydrophobicContact CD2-CG2 3.64Å; Y441-V611 HydrophobicContact CE1-CG2 3.91Å; Y441-V611 HydrophobicContact CE2-CG2 3.31Å; Y441-V611 HydrophobicContact CG-CG2 4.06Å; Y441-V611 VanDerWaalsContact CZ-CG2 3.46Å; Y441-V611 PolarHBondContact N-O 3.32Å; Y441-V611 WeakPolarHBondContact O-CG2 3.47Å; Y441-V611 PolarHBondContact O-N 3.35Å; A443-V611 HydrophobicContact CB-CG2 4.28Å; T473-V611 HydrophobicContact CG2-CB 3.55Å; T473-V611 HydrophobicContact CG2-CG1 3.67Å; T473-V611 HydrophobicContact CG2-CG2 3.71Å; V478-V611 HydrophobicContact CG2-CG1 3.52Å; A609-V611 HydrophobicContact CB-CG1 3.98Å; V611-Y685 HydrophobicContact CG1-CD2 4.38Å; V611-Y685 HydrophobicContact CG1-CE2 4.47Å
612	P	87.4	Confident	92.8	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.058	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	141.4	-179.9	24.9	-36.3	0	0	0	112.3	S439 Y441 L681 Y685	S439-P612 CarbonylContact O-C 3.54Å; S439-P612 WeakPolarHBondContact O-CA 3.47Å; Y441-P612 WeakPolarHBondContact CE1-O 3.42Å; P612-L681 HydrophobicContact CB-CD2 4.04Å; P612-L681 HydrophobicContact CG-CB 4.49Å; P612-L681 HydrophobicContact CG-CD2 3.43Å; P612-L681 VanDerWaalsContact CG-CD2 3.43Å; P612-Y685 HydrophobicContact CG-CD1 4.22Å; P612-Y685 HydrophobicContact CG-CE1 4.5Å; P612-Y685 HydrophobicContact CG-CG 4.34Å
613	S	91.2	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-63.6	160.1	172.9	-79.7	0	0	0	0	111.7	E429 G438 S439 S440 W680	E429-S613 WeakPolarHBondContact O-CB 3.26Å; E429-S613 PolarHBondContact O-OG 3.01Å; G438-S613 PolarHBondContact O-OG 3.39Å; S439-S613 VanDerWaalsContact C-CB 3.4Å; S439-S613 WeakPolarHBondContact CA-OG 3.42Å; S439-S613 PolarHBondContact O-N 3.02Å; S440-S613 PolarHBondContact N-OG 3.49Å; S613-W680 PolarHBondContact O-NE1 2.77Å
614	H	94.2	Very high	92.4	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.014	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-63.7	149.8	168.2	-54.5	164.9	0	0	0	110.7	T408 L409 D410 A428 E429 Y431 Y441 Y545 K662	T408-H614 HydrophobicContact CG2-CB 4.4Å; L409-H614 CarbonylContact O-C 3.46Å; L409-H614 WeakPolarHBondContact O-CA 3.46Å; L409-H614 WeakPolarHBondContact O-CB 3.37Å; D410-H614 VanDerWaalsContact CA-CD2 3.44Å; D410-H614 WeakPolarHBondContact CA-CD2 3.31Å; D410-H614 IonicContact OD2-CD2 3.55Å; D410-H614 PolarHBondContact OD2-CD2 3.01Å; D410-H614 VanDerWaalsContact OD2-CD2 3.3Å; D410-H614 IonicContact OD2-NE2 3.56Å; D410-H614 PolarHBondContact OD2-NE2 3.45Å; A428-H614 WeakPolarHBondContact CA-O 3.49Å; A428-H614 WeakPolarHBondContact CB-O 3.44Å; E429-H614 HydrophobicContact CB-CB 4.46Å; E429-H614 HydrophobicContact CG-CB 4.2Å; E429-H614 PolarHBondContact N-O 2.89Å; E429-H614 WeakPolarHBondContact OE2-CB 2.81Å; E429-H614 IonicContact OE2-CE1 2.83Å; E429-H614 IonicContact OE2-CG 2.87Å; E429-H614 IonicContact OE2-ND1 2.72Å; E429-H614 PolarHBondContact OE2-ND1 2.88Å; Y431-H614 PolarHBondContact OH-CE1 3.34Å; Y431-H614 VanDerWaalsContact OH-CE1 3.24Å; Y431-H614 PolarHBondContact OH-ND1 3.18Å; Y441-H614 AromaticContact CE1-CD2 3.98Å; Y441-H614 AromaticContact CE1-NE2 3.96Å; Y545-H614 AromaticContact CE2-CE1 3.79Å; Y545-H614 AromaticContact CE2-NE2 3.9Å; H614-K662 WeakPolarHBondContact CE1-CE 3.39Å; H614-K662 WeakPolarHBondContact CE1-CG 3.14Å; H614-K662 VanDerWaalsContact ND1-CG 3.34Å; H614-K662 WeakPolarHBondContact ND1-CG 2.76Å
615	A	96.4	Very high	92.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.3	-177.8	0	0	0	0	0	111.6	T408 L409 I414 P425 A427 A428 M617 W680	T408-A615 WeakPolarHBondContact CA-O 3.42Å; L409-A615 PolarHBondContact N-O 2.92Å; L409-A615 PolarHBondContact O-N 2.71Å; I414-A615 HydrophobicContact CD1-CB 3.61Å; P425-A615 HydrophobicContact CB-CB 3.89Å; A427-A615 CarbonylContact O-C 3.51Å; A427-A615 VanDerWaalsContact O-CA 3.3Å; A427-A615 WeakPolarHBondContact O-CA 3.47Å; A428-A615 HydrophobicContact CB-CB 4.44Å; A615-M617 HydrophobicContact CB-SD 4.05Å; A615-M617 PolarHBondContact O-N 2.72Å; A615-W680 HydrophobicContact CB-CZ2 4.37Å
616	V	97.9	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	114.9	166.4	-177.8	0	0	0	0	107.4	W357 A406 M407 P425 A426 A427 V618 I627 L631 F661	W357-V616 HydrophobicContact CH2-CG1 3.97Å; W357-V616 HydrophobicContact CH2-CG2 4.01Å; W357-V616 HydrophobicContact CZ2-CG1 4.12Å; W357-V616 HydrophobicContact CZ2-CG2 4.06Å; A406-V616 HydrophobicContact CB-CG1 3.94Å; M407-V616 CarbonylContact O-C 3.58Å; M407-V616 WeakPolarHBondContact O-CA 2.98Å; P425-V616 CarbonylContact C-O 3.54Å; P425-V616 WeakPolarHBondContact CA-O 3.22Å; A426-V616 PolarHBondContact N-O 3.44Å; A427-V616 HydrophobicContact CB-CB 4.39Å; A427-V616 HydrophobicContact CB-CG2 4.36Å; A427-V616 PolarHBondContact O-N 3.3Å; V616-V618 HydrophobicContact CG1-CG1 4.47Å; V616-I627 HydrophobicContact CG1-CG2 4.15Å; V616-L631 HydrophobicContact CG2-CD1 4.11Å; V616-F661 HydrophobicContact CG2-CE1 3.98Å
617	M	98.1	Very high	92.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.4	-176.5	-59.7	-60.4	-70.1	0	0	110.5	A406 M407 L409 I414 A417 L423 V424 P425 A615	A406-M617 WeakPolarHBondContact CA-O 3.45Å; M407-M617 PolarHBondContact N-O 2.92Å; M407-M617 PolarHBondContact O-N 3.05Å; L409-M617 HydrophobicContact CB-CG 4.12Å; L409-M617 HydrophobicContact CD1-CB 4.27Å; L409-M617 HydrophobicContact CD1-CG 3.89Å; L409-M617 HydrophobicContact CG-CG 4.26Å; I414-M617 HydrophobicContact CB-SD 4.49Å; I414-M617 HydrophobicContact CD1-SD 4.44Å; I414-M617 HydrophobicContact CG1-CG 4.28Å; I414-M617 HydrophobicContact CG1-SD 3.96Å; I414-M617 HydrophobicContact CG2-CE 3.92Å; I414-M617 HydrophobicContact CG2-SD 4.08Å; A417-M617 HydrophobicContact CB-CE 4.18Å; L423-M617 HydrophobicContact CB-CB 4.31Å; L423-M617 HydrophobicContact CB-CE 4.16Å; L423-M617 HydrophobicContact CD1-CB 4.39Å; V424-M617 WeakPolarHBondContact O-CA 3.46Å; P425-M617 HydrophobicContact CB-SD 3.81Å; A615-M617 HydrophobicContact CB-SD 4.05Å; A615-M617 PolarHBondContact O-N 2.72Å
618	V	97.6	Very high	92.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	174.2	-176.1	-56.8	0	0	0	0	111.3	D405 A406 L423 V424 A426 V616 T622 I624 I627	D405-V618 WeakPolarHBondContact O-CG1 3.46Å; A406-V618 HydrophobicContact CB-CG1 3.96Å; L423-V618 CarbonylContact C-O 3.39Å; L423-V618 VanDerWaalsContact CA-O 3.31Å; L423-V618 WeakPolarHBondContact CA-O 3.47Å; L423-V618 WeakPolarHBondContact CB-O 3.21Å; V424-V618 HydrophobicContact CG2-CG2 4.04Å; V424-V618 PolarHBondContact N-O 3.3Å; V424-V618 PolarHBondContact O-N 3.14Å; A426-V618 HydrophobicContact CB-CG1 3.92Å; A426-V618 HydrophobicContact CB-CG2 3.82Å; V616-V618 HydrophobicContact CG1-CG1 4.47Å; V618-T622 HydrophobicContact CB-CG2 4.18Å; V618-T622 HydrophobicContact CG1-CG2 4.46Å; V618-T622 HydrophobicContact CG2-CG2 4.29Å; V618-I624 HydrophobicContact CG2-CG2 4Å; V618-I627 HydrophobicContact CG1-CG1 4.33Å
619	R	96.4	Very high	92.2	Very high	33 Å²	33	25.6 Å²	25.6	13%	0.125	13%	0.128	C	C	.	.			trans	-71.6	148.9	170.2	-69.1	-174.6	-63.7	-69.8	-6	112	I399 N402 A404 D405 E621 T622	I399-R619 HydrophobicContact CG2-CG 3.99Å; I399-R619 WeakPolarHBondContact O-CD 3.36Å; I399-R619 WeakPolarHBondContact O-CG 3.49Å; I399-R619 PolarHBondContact O-NH1 2.94Å; N402-R619 PolarHBondContact OD1-NH1 2.87Å; N402-R619 PolarHBondContact OD1-NH2 3.42Å; A404-R619 PolarHBondContact O-NH1 3.02Å; D405-R619 IonicContact OD1-CZ 3.48Å; D405-R619 IonicContact OD1-NH1 3.98Å; D405-R619 PolarHBondContact OD1-NH1 2.94Å; D405-R619 IonicContact OD1-NH2 2.76Å; D405-R619 PolarHBondContact OD1-NH2 3.49Å; R619-E621 WeakPolarHBondContact CB-OE2 3.01Å; R619-E621 PolarHBondContact O-N 3.18Å; R619-E621 VanDerWaalsContact O-N 3.12Å; R619-T622 VanDerWaalsContact O-CB 3.26Å; R619-T622 WeakPolarHBondContact O-CB 3.38Å; R619-T622 PolarHBondContact O-N 2.76Å; R619-T622 PolarHBondContact O-OG1 2.79Å
620	P	92.4	Very high	92.4	Very high	60 Å²	60	24.3 Å²	24.3	39%	0.39	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.3	177.7	-26.2	35.2	0	0	0	115.4	G422 V424 T622	G422-P620 WeakPolarHBondContact O-CD 3.41Å; G422-P620 VanDerWaalsContact O-CG 3.23Å; G422-P620 WeakPolarHBondContact O-CG 3.21Å; V424-P620 HydrophobicContact CG1-CG 4.25Å; P620-T622 VanDerWaalsContact C-N 3.31Å
621	E	87.4	Confident	92.8	Very high	155 Å²	155	18.6 Å²	18.6	72%	0.724	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.5	179.2	-56.9	73.2	-157.3	0	0	112.5	R619	R619-E621 WeakPolarHBondContact CB-OE2 3.01Å; R619-E621 PolarHBondContact O-N 3.18Å; R619-E621 VanDerWaalsContact O-N 3.12Å
622	T	89.3	Confident	93	Very high	19 Å²	19	19.2 Å²	19.2	12%	0.117	10%	0.098	C	C	.	.	S	Bend	trans	-72.1	133.1	178.9	-54.8	0	0	0	0	109.7	V618 R619 P620 I624 I627	V618-T622 HydrophobicContact CB-CG2 4.18Å; V618-T622 HydrophobicContact CG1-CG2 4.46Å; V618-T622 HydrophobicContact CG2-CG2 4.29Å; R619-T622 VanDerWaalsContact O-CB 3.26Å; R619-T622 WeakPolarHBondContact O-CB 3.38Å; R619-T622 PolarHBondContact O-N 2.76Å; R619-T622 PolarHBondContact O-OG1 2.79Å; P620-T622 VanDerWaalsContact C-N 3.31Å; T622-I624 PolarHBondContact O-N 2.63Å; T622-I627 HydrophobicContact CG2-CD1 4.22Å; T622-I627 HydrophobicContact CG2-CG1 4.14Å
623	N	88.9	Confident	93.2	Very high	34 Å²	34	23 Å²	23	18%	0.182	11%	0.112	C	C	.	.			trans	-69.9	100.1	175.5	-170.9	-29	0	0	0	110.6	C346 H625 A626 I627	C346-N623 PolarHBondContact SG-ND2 3.48Å; N623-H625 PolarHBondContact O-N 3.44Å; N623-H625 WeakPolarHBondContact OD1-CB 3.27Å; N623-H625 PolarHBondContact OD1-N 2.91Å; N623-A626 HydrophobicContact CB-CB 4.19Å; N623-A626 WeakPolarHBondContact O-CB 3.47Å; N623-A626 PolarHBondContact O-N 3.38Å; N623-A626 VanDerWaalsContact O-N 3.1Å; N623-A626 PolarHBondContact OD1-N 3.14Å; N623-I627 PolarHBondContact O-N 2.91Å
624	I	91.9	Very high	93.3	Very high	24 Å²	24	23 Å²	23	12%	0.123	11%	0.112	C	C	.	.	H	α-helix	trans	-59.6	-30.5	-179.2	64.6	172	0	0	0	113.1	A426 V618 T622 A626 I627 Y628 V671 K675	A426-I624 HydrophobicContact CB-CB 3.86Å; A426-I624 HydrophobicContact CB-CG2 3.79Å; V618-I624 HydrophobicContact CG2-CG2 4Å; T622-I624 PolarHBondContact O-N 2.63Å; I624-A626 VanDerWaalsContact C-N 3.32Å; I624-A626 PolarHBondContact O-N 2.8Å; I624-I627 PolarHBondContact O-N 2.61Å; I624-Y628 PolarHBondContact O-N 2.96Å; I624-V671 HydrophobicContact CD1-CG2 3.98Å; I624-K675 HydrophobicContact CD1-CD 4.27Å; I624-K675 HydrophobicContact CD1-CG 4.3Å
625	H	91.5	Very high	93.2	Very high	22 Å²	22	24 Å²	24	10%	0.102	12%	0.116	C	C	.	.	H	α-helix	trans	-71.7	-29.5	179.6	-52.8	-62.6	0	0	0	111.6	I148 D149 N623 G629	I148-H625 HydrophobicContact CG2-CB 4.05Å; D149-H625 IonicContact OD1-CE1 3.63Å; N623-H625 PolarHBondContact O-N 3.44Å; N623-H625 WeakPolarHBondContact OD1-CB 3.27Å; N623-H625 PolarHBondContact OD1-N 2.91Å; H625-G629 WeakPolarHBondContact O-CA 3.28Å; H625-G629 PolarHBondContact O-N 2.73Å
626	A	89.6	Confident	92.9	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.041	14%	0.139	C	C	.	.	H	α-helix	trans	-68.8	-39	172.8	0	0	0	0	0	111.6	I351 N623 I624 G629 L630	I351-A626 HydrophobicContact CD1-CB 3.84Å; I351-A626 HydrophobicContact CG1-CB 3.96Å; N623-A626 HydrophobicContact CB-CB 4.19Å; N623-A626 WeakPolarHBondContact O-CB 3.47Å; N623-A626 PolarHBondContact O-N 3.38Å; N623-A626 VanDerWaalsContact O-N 3.1Å; N623-A626 PolarHBondContact OD1-N 3.14Å; I624-A626 VanDerWaalsContact C-N 3.32Å; I624-A626 PolarHBondContact O-N 2.8Å; A626-G629 PolarHBondContact O-N 3.28Å; A626-L630 WeakPolarHBondContact O-CB 3.11Å; A626-L630 PolarHBondContact O-N 3.04Å
627	I	93.6	Very high	92.5	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-52.7	175.5	-55.6	-61.9	0	0	0	110.5	I355 A426 V616 V618 T622 N623 I624 G629 L630 L631	I355-I627 HydrophobicContact CD1-CD1 3.48Å; I355-I627 VanDerWaalsContact CD1-CD1 3.48Å; I355-I627 HydrophobicContact CG1-CD1 3.85Å; I355-I627 HydrophobicContact CG2-CD1 4.24Å; A426-I627 HydrophobicContact CB-CB 3.99Å; A426-I627 HydrophobicContact CB-CG1 4.26Å; A426-I627 HydrophobicContact CB-CG2 3.97Å; V616-I627 HydrophobicContact CG1-CG2 4.15Å; V618-I627 HydrophobicContact CG1-CG1 4.33Å; T622-I627 HydrophobicContact CG2-CD1 4.22Å; T622-I627 HydrophobicContact CG2-CG1 4.14Å; N623-I627 PolarHBondContact O-N 2.91Å; I624-I627 PolarHBondContact O-N 2.61Å; I627-G629 VanDerWaalsContact C-N 3.29Å; I627-G629 PolarHBondContact O-N 3.3Å; I627-L630 PolarHBondContact O-N 3.26Å; I627-L631 HydrophobicContact CG2-CD1 4.08Å; I627-L631 WeakPolarHBondContact O-CG 3.22Å; I627-L631 PolarHBondContact O-N 3.38Å; I627-L631 VanDerWaalsContact O-N 3.08Å
628	Y	94.4	Very high	92.2	Very high	16 Å²	16	32.3 Å²	32.3	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-38.9	176.8	176.8	-123.5	0	0	0	111.5	G151 A427 I624 L630 L631 D632 I668 G670	G151-Y628 PolarHBondContact O-OH 3.1Å; A427-Y628 HydrophobicContact CB-CD2 4.25Å; I624-Y628 PolarHBondContact O-N 2.96Å; Y628-L630 PolarHBondContact O-N 2.92Å; Y628-L631 PolarHBondContact O-N 3.48Å; Y628-D632 HydrophobicContact CD2-CB 4.33Å; Y628-D632 HydrophobicContact CE1-CB 4.48Å; Y628-D632 HydrophobicContact CE2-CB 3.81Å; Y628-D632 VanDerWaalsContact O-CB 3.27Å; Y628-D632 WeakPolarHBondContact O-CB 3.44Å; Y628-D632 PolarHBondContact O-N 2.74Å; Y628-D632 PolarHBondContact OH-OD1 3.24Å; Y628-I668 HydrophobicContact CD2-CG2 4.1Å; Y628-I668 HydrophobicContact CE2-CG2 4.26Å; Y628-G670 VanDerWaalsContact CZ-N 3.32Å
629	G	92.9	Very high	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-46	176	0	0	0	0	0	113.6	H625 A626 I627 R633	H625-G629 WeakPolarHBondContact O-CA 3.28Å; H625-G629 PolarHBondContact O-N 2.73Å; A626-G629 PolarHBondContact O-N 3.28Å; I627-G629 VanDerWaalsContact C-N 3.29Å; I627-G629 PolarHBondContact O-N 3.3Å; G629-R633 WeakPolarHBondContact O-CB 3.36Å; G629-R633 PolarHBondContact O-N 2.92Å; G629-R633 VanDerWaalsContact O-N 3.1Å
630	L	94.2	Very high	90.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-50.8	174.1	175.2	61.6	0	0	0	111.3	F375 L380 P382 V384 A626 I627 Y628 R633 A634	F375-L630 HydrophobicContact CD2-CD1 3.87Å; F375-L630 HydrophobicContact CD2-CD2 4.35Å; F375-L630 HydrophobicContact CD2-CG 4.16Å; F375-L630 HydrophobicContact CE2-CD1 4.3Å; F375-L630 HydrophobicContact CE2-CD2 4.42Å; F375-L630 HydrophobicContact CE2-CG 4.14Å; L380-L630 HydrophobicContact CB-CD1 3.7Å; P382-L630 HydrophobicContact CG-CD2 4.18Å; P382-L630 WeakPolarHBondContact O-CD2 3.33Å; V384-L630 HydrophobicContact CG2-CD2 4.04Å; A626-L630 WeakPolarHBondContact O-CB 3.11Å; A626-L630 PolarHBondContact O-N 3.04Å; I627-L630 PolarHBondContact O-N 3.26Å; Y628-L630 PolarHBondContact O-N 2.92Å; L630-R633 PolarHBondContact O-N 2.76Å; L630-A634 VanDerWaalsContact O-CB 3.28Å; L630-A634 WeakPolarHBondContact O-CB 3.36Å; L630-A634 PolarHBondContact O-N 2.74Å
631	L	95.2	Very high	88.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-69	-41	-175.8	-65.4	173.9	0	0	0	112.7	W357 F375 A427 V616 I627 Y628 R633 A634 Q635 M648 F661 I668	W357-L631 HydrophobicContact CH2-CD1 4.11Å; W357-L631 HydrophobicContact CH2-CD2 4.02Å; W357-L631 HydrophobicContact CZ3-CD2 4.11Å; F375-L631 HydrophobicContact CE2-CD2 4.42Å; A427-L631 HydrophobicContact CB-CD1 3.92Å; V616-L631 HydrophobicContact CG2-CD1 4.11Å; I627-L631 HydrophobicContact CG2-CD1 4.08Å; I627-L631 WeakPolarHBondContact O-CG 3.22Å; I627-L631 PolarHBondContact O-N 3.38Å; I627-L631 VanDerWaalsContact O-N 3.08Å; Y628-L631 PolarHBondContact O-N 3.48Å; L631-R633 VanDerWaalsContact C-N 3.3Å; L631-R633 PolarHBondContact O-N 3.11Å; L631-A634 PolarHBondContact O-N 3.14Å; L631-Q635 WeakPolarHBondContact O-CG 3.12Å; L631-Q635 PolarHBondContact O-N 3.11Å; L631-M648 HydrophobicContact CD2-CE 3.94Å; L631-F661 HydrophobicContact CD1-CZ 4.45Å; L631-F661 HydrophobicContact CD2-CE2 4.49Å; L631-F661 HydrophobicContact CD2-CZ 3.98Å; L631-I668 HydrophobicContact CB-CB 4.42Å; L631-I668 HydrophobicContact CB-CG1 4.46Å; L631-I668 HydrophobicContact CB-CG2 4.02Å; L631-I668 HydrophobicContact CD1-CG2 4.15Å
632	D	92.8	Very high	86.7	Confident	17 Å²	17	37.4 Å²	37.4	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-34.8	176.4	-174.5	65.4	0	0	0	111.5	S154 Y628 Q635 T636	S154-D632 WeakPolarHBondContact CB-OD2 3.32Å; S154-D632 PolarHBondContact OG-OD2 2.88Å; Y628-D632 HydrophobicContact CD2-CB 4.33Å; Y628-D632 HydrophobicContact CE1-CB 4.48Å; Y628-D632 HydrophobicContact CE2-CB 3.81Å; Y628-D632 VanDerWaalsContact O-CB 3.27Å; Y628-D632 WeakPolarHBondContact O-CB 3.44Å; Y628-D632 PolarHBondContact O-N 2.74Å; Y628-D632 PolarHBondContact OH-OD1 3.24Å; D632-Q635 WeakPolarHBondContact O-CG 3.39Å; D632-Q635 PolarHBondContact OD1-NE2 2.71Å; D632-T636 WeakPolarHBondContact O-CG2 3.23Å
633	R	91.8	Very high	85.2	Confident	89 Å²	89	38.5 Å²	38.5	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-72.7	-43	173.3	-172.5	58.6	178.4	163.3	-0.8	111.7	M156 L380 G629 L630 L631 Q635 T636	M156-R633 HydrophobicContact SD-CB 4.06Å; M156-R633 HydrophobicContact SD-CG 3.91Å; L380-R633 HydrophobicContact CD2-CB 4.3Å; L380-R633 HydrophobicContact CD2-CG 3.51Å; G629-R633 WeakPolarHBondContact O-CB 3.36Å; G629-R633 PolarHBondContact O-N 2.92Å; G629-R633 VanDerWaalsContact O-N 3.1Å; L630-R633 PolarHBondContact O-N 2.76Å; L631-R633 VanDerWaalsContact C-N 3.3Å; L631-R633 PolarHBondContact O-N 3.11Å; R633-Q635 VanDerWaalsContact C-N 3.34Å; R633-Q635 PolarHBondContact O-N 3.12Å; R633-T636 PolarHBondContact O-N 2.79Å; R633-T636 PolarHBondContact O-OG1 2.86Å
634	A	93.3	Very high	84	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-43.8	178.5	0	0	0	0	0	112.4	F375 L380 L630 L631 T636 H637 F638 M648	F375-A634 HydrophobicContact CD1-CB 4.05Å; F375-A634 HydrophobicContact CD2-CB 4.32Å; F375-A634 HydrophobicContact CE1-CB 3.43Å; F375-A634 VanDerWaalsContact CE1-CB 3.43Å; F375-A634 HydrophobicContact CE2-CB 3.73Å; F375-A634 HydrophobicContact CG-CB 4.47Å; F375-A634 HydrophobicContact CZ-CB 3.25Å; L380-A634 HydrophobicContact CD1-CB 3.74Å; L630-A634 VanDerWaalsContact O-CB 3.28Å; L630-A634 WeakPolarHBondContact O-CB 3.36Å; L630-A634 PolarHBondContact O-N 2.74Å; L631-A634 PolarHBondContact O-N 3.14Å; A634-T636 PolarHBondContact O-N 3.42Å; A634-H637 WeakPolarHBondContact O-CA 3.25Å; A634-H637 PolarHBondContact O-N 3.09Å; A634-F638 HydrophobicContact CB-CD2 4.4Å; A634-F638 WeakPolarHBondContact O-CD2 3.36Å; A634-F638 PolarHBondContact O-N 3.19Å; A634-M648 HydrophobicContact CB-CE 4.24Å; A634-M648 HydrophobicContact CB-SD 3.64Å
635	Q	92.1	Very high	83.5	Confident	23 Å²	23	44.9 Å²	44.9	11%	0.107	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-26.7	179.7	70.8	-179.3	13.4	0	0	112.3	L631 D632 R633 H637 F638 S639 M648 F649 I668	L631-Q635 WeakPolarHBondContact O-CG 3.12Å; L631-Q635 PolarHBondContact O-N 3.11Å; D632-Q635 WeakPolarHBondContact O-CG 3.39Å; D632-Q635 PolarHBondContact OD1-NE2 2.71Å; R633-Q635 VanDerWaalsContact C-N 3.34Å; R633-Q635 PolarHBondContact O-N 3.12Å; Q635-H637 PolarHBondContact O-N 3.1Å; Q635-H637 VanDerWaalsContact O-N 3.07Å; Q635-F638 PolarHBondContact O-N 3.03Å; Q635-S639 WeakPolarHBondContact O-CA 3.37Å; Q635-S639 WeakPolarHBondContact O-CB 3.46Å; Q635-S639 PolarHBondContact O-N 2.81Å; Q635-M648 HydrophobicContact CB-SD 4.29Å; Q635-F649 HydrophobicContact CB-CE2 4.43Å; Q635-F649 HydrophobicContact CB-CZ 4.27Å; Q635-I668 PolarHBondContact NE2-O 3.5Å; Q635-I668 PolarHBondContact OE1-O 3.35Å
636	T	89.3	Confident	83.5	Confident	77 Å²	77	45.2 Å²	45.2	47%	0.472	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-16.2	172.5	69.2	0	0	0	0	114.1	D632 R633 A634	D632-T636 WeakPolarHBondContact O-CG2 3.23Å; R633-T636 PolarHBondContact O-N 2.79Å; R633-T636 PolarHBondContact O-OG1 2.86Å; A634-T636 PolarHBondContact O-N 3.42Å
637	H	89.9	Confident	83.6	Confident	80 Å²	80	47.3 Å²	47.3	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-109.6	-30.7	177.8	-62.6	-59.8	0	0	0	113.1	K378 A634 Q635	K378-H637 HydrophobicContact CG-CB 4.5Å; A634-H637 WeakPolarHBondContact O-CA 3.25Å; A634-H637 PolarHBondContact O-N 3.09Å; Q635-H637 PolarHBondContact O-N 3.1Å; Q635-H637 VanDerWaalsContact O-N 3.07Å
638	F	91.5	Very high	83.6	Confident	18 Å²	18	47.1 Å²	47.1	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-129.8	14	-165.1	-51.9	-59.3	0	0	0	114.2	A374 F375 K378 L380 A634 Q635 F646 M648	A374-F638 HydrophobicContact CB-CE1 4.1Å; A374-F638 HydrophobicContact CB-CE2 4.17Å; A374-F638 HydrophobicContact CB-CZ 3.79Å; A374-F638 WeakPolarHBondContact O-CZ 3.37Å; F375-F638 AromaticContact CD1-CD2 3.91Å; F375-F638 HydrophobicContact CD1-CD2 3.91Å; F375-F638 AromaticContact CD1-CE2 3.81Å; F375-F638 HydrophobicContact CD1-CE2 3.81Å; F375-F638 AromaticContact CE1-CD2 3.86Å; F375-F638 HydrophobicContact CE1-CD2 3.86Å; F375-F638 HydrophobicContact CE1-CE2 4.25Å; K378-F638 HydrophobicContact CG-CE2 4.02Å; K378-F638 HydrophobicContact CG-CZ 3.58Å; L380-F638 HydrophobicContact CD1-CE2 4.46Å; A634-F638 HydrophobicContact CB-CD2 4.4Å; A634-F638 WeakPolarHBondContact O-CD2 3.36Å; A634-F638 PolarHBondContact O-N 3.19Å; Q635-F638 PolarHBondContact O-N 3.03Å; F638-F646 HydrophobicContact CB-CD1 4.21Å; F638-F646 HydrophobicContact CD1-CB 4.49Å; F638-F646 HydrophobicContact CD1-CD1 4.3Å; F638-F646 VanDerWaalsContact CD1-O 3.25Å; F638-F646 WeakPolarHBondContact CD1-O 3.33Å; F638-F646 HydrophobicContact CG-CD1 4.11Å; F638-M648 HydrophobicContact CB-CG 3.77Å; F638-M648 HydrophobicContact CB-SD 4.07Å; F638-M648 PolarHBondContact O-N 3.14Å
639	S	82.4	Confident	83.5	Confident	45 Å²	45	46.6 Å²	46.6	32%	0.315	28%	0.284	S	S	.	.			trans	-73.6	-31.2	-179.5	155.8	0	0	0	0	115.4	Q635	Q635-S639 WeakPolarHBondContact O-CA 3.37Å; Q635-S639 WeakPolarHBondContact O-CB 3.46Å; Q635-S639 PolarHBondContact O-N 2.81Å
640	S	67.8	Low	83.3	Confident	67 Å²	67	47.9 Å²	47.9	47%	0.469	29%	0.291	S	S	.	.			trans	-114.5	142.1	-160.4	165.9	0	0	0	0	113.5	T642	S640-T642 PolarHBondContact O-N 2.7Å; S640-T642 VanDerWaalsContact O-N 3.17Å; S640-T642 PolarHBondContact OG-OG1 2.76Å
641	D	57.1	Low	83	Confident	107 Å²	107	47.9 Å²	47.9	57%	0.572	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.4	-171.2	-48.8	-38.9	0	0	0	115.7	K647	D641-K647 WeakPolarHBondContact O-CE 3.32Å; D641-K647 PolarHBondContact O-NZ 3.11Å
642	T	50.8	Low	82.5	Confident	135 Å²	135	51.7 Å²	51.7	83%	0.828	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-0.3	-172.6	63.6	0	0	0	0	114.4	S640	S640-T642 PolarHBondContact O-N 2.7Å; S640-T642 VanDerWaalsContact O-N 3.17Å; S640-T642 PolarHBondContact OG-OG1 2.76Å
643	G	58.8	Low	82.1	Confident	42 Å²	42	54.9 Å²	54.9	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	-90.1	150.1	174.9	0	0	0	0	0	112.8	G645 K647	G643-G645 VanDerWaalsContact C-N 3.27Å; G643-G645 PolarHBondContact O-N 3.27Å; G643-K647 WeakPolarHBondContact O-CE 3.14Å
644	S	62.7	Low	81.9	Confident	141 Å²	141	53.1 Å²	53.1	99%	0.986	34%	0.34	S	S	*	.	S	Bend	trans	-85.6	9.9	176.9	66.9	0	0	0	0	114.3
645	G	82.2	Confident	81.5	Confident	52 Å²	52	60 Å²	60	54%	0.536	37%	0.372	S	S	.	.	S	Bend	trans	-105.8	-167.3	-178.3	0	0	0	0	0	112.5	G643	G643-G645 VanDerWaalsContact C-N 3.27Å; G643-G645 PolarHBondContact O-N 3.27Å
646	F	91.3	Very high	81	Confident	29 Å²	29	61 Å²	61	13%	0.127	39%	0.389	C	S	.	.			trans	-57.2	140.4	172.6	176.2	-99.3	0	0	0	111.6	K367 D370 M371 A374 F375 F638 M648	K367-F646 HydrophobicContact CG-CE2 4.03Å; D370-F646 HydrophobicContact CB-CD2 3.96Å; D370-F646 HydrophobicContact CB-CE2 4.25Å; M371-F646 VanDerWaalsContact CA-CZ 3.47Å; M371-F646 HydrophobicContact CB-CE1 3.83Å; M371-F646 HydrophobicContact CB-CE2 3.87Å; M371-F646 HydrophobicContact CB-CZ 3.33Å; M371-F646 HydrophobicContact CG-CE1 3.71Å; M371-F646 HydrophobicContact CG-CZ 3.62Å; M371-F646 HydrophobicContact SD-CZ 4.3Å; A374-F646 HydrophobicContact CB-CB 3.59Å; A374-F646 HydrophobicContact CB-CD1 3.69Å; A374-F646 HydrophobicContact CB-CG 3.73Å; F375-F646 HydrophobicContact CE1-CE1 4.26Å; F638-F646 HydrophobicContact CB-CD1 4.21Å; F638-F646 HydrophobicContact CD1-CB 4.49Å; F638-F646 HydrophobicContact CD1-CD1 4.3Å; F638-F646 VanDerWaalsContact CD1-O 3.25Å; F638-F646 WeakPolarHBondContact CD1-O 3.33Å; F638-F646 HydrophobicContact CG-CD1 4.11Å; F646-M648 HydrophobicContact CE1-CG 3.75Å
647	K	92	Very high	80.8	Confident	48 Å²	48	59.7 Å²	59.7	21%	0.209	38%	0.38	C	S	.	.			trans	-127.5	130.3	179.1	-64.4	173.8	-172.7	-179.8	0	109.5	D641 G643 D650	D641-K647 WeakPolarHBondContact O-CE 3.32Å; D641-K647 PolarHBondContact O-NZ 3.11Å; G643-K647 WeakPolarHBondContact O-CE 3.14Å; K647-D650 HydrophobicContact CB-CB 3.7Å; K647-D650 HydrophobicContact CD-CB 3.66Å; K647-D650 WeakPolarHBondContact CD-OD1 2.94Å; K647-D650 HydrophobicContact CG-CB 4.4Å; K647-D650 IonicContact NZ-OD1 3.04Å; K647-D650 PolarHBondContact NZ-OD1 2.99Å
648	M	92.7	Very high	80.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-41.2	-176.4	-72.6	175.1	66	0	0	112.4	K367 F375 L631 A634 Q635 F638 F646 F661	K367-M648 PolarHBondContact NZ-O 3.26Å; F375-M648 HydrophobicContact CE1-CG 4.25Å; F375-M648 HydrophobicContact CE1-SD 4.06Å; F375-M648 HydrophobicContact CZ-CE 4.03Å; F375-M648 HydrophobicContact CZ-CG 4.42Å; F375-M648 HydrophobicContact CZ-SD 3.97Å; L631-M648 HydrophobicContact CD2-CE 3.94Å; A634-M648 HydrophobicContact CB-CE 4.24Å; A634-M648 HydrophobicContact CB-SD 3.64Å; Q635-M648 HydrophobicContact CB-SD 4.29Å; F638-M648 HydrophobicContact CB-CG 3.77Å; F638-M648 HydrophobicContact CB-SD 4.07Å; F638-M648 PolarHBondContact O-N 3.14Å; F646-M648 HydrophobicContact CE1-CG 3.75Å; M648-F661 HydrophobicContact CE-CE2 4.06Å
649	F	91.9	Very high	80.7	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.018	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	29.6	-171.9	-40.9	-48.1	0	0	0	111.9	Q635 F661 D663 T665 I668	Q635-F649 HydrophobicContact CB-CE2 4.43Å; Q635-F649 HydrophobicContact CB-CZ 4.27Å; F649-F661 HydrophobicContact CD1-CB 3.98Å; F649-F661 HydrophobicContact CD1-CD2 4.39Å; F649-F661 HydrophobicContact CD1-CG 4.25Å; F649-F661 HydrophobicContact CE1-CD2 4.34Å; F649-F661 HydrophobicContact CE1-CG 4.31Å; F649-D663 CarbonylContact O-C 3.19Å; F649-D663 WeakPolarHBondContact O-CA 3.21Å; F649-T665 WeakPolarHBondContact CB-O 3.5Å; F649-T665 HydrophobicContact CD1-CG2 3.56Å; F649-T665 HydrophobicContact CD2-CG2 4.26Å; F649-T665 WeakPolarHBondContact CD2-O 3.2Å; F649-T665 HydrophobicContact CE1-CG2 3.64Å; F649-T665 HydrophobicContact CE2-CG2 4.32Å; F649-T665 HydrophobicContact CG-CG2 3.91Å; F649-T665 WeakPolarHBondContact CG-O 3.31Å; F649-T665 HydrophobicContact CZ-CG2 4.04Å; F649-I668 HydrophobicContact CE1-CD1 3.93Å; F649-I668 HydrophobicContact CE1-CG1 3.87Å; F649-I668 HydrophobicContact CZ-CD1 4.32Å; F649-I668 HydrophobicContact CZ-CG1 3.83Å
650	D	88.9	Confident	81.3	Confident	28 Å²	28	54.3 Å²	54.3	15%	0.15	35%	0.352	C	S	.	.			trans	-137.8	128.1	176.1	-176.8	-161.8	0	0	0	108.3	K367 K647 Q652	K367-D650 WeakPolarHBondContact CE-O 3.31Å; K367-D650 PolarHBondContact NZ-O 3.25Å; K647-D650 HydrophobicContact CB-CB 3.7Å; K647-D650 HydrophobicContact CD-CB 3.66Å; K647-D650 WeakPolarHBondContact CD-OD1 2.94Å; K647-D650 HydrophobicContact CG-CB 4.4Å; K647-D650 IonicContact NZ-OD1 3.04Å; K647-D650 PolarHBondContact NZ-OD1 2.99Å; D650-Q652 WeakPolarHBondContact OD2-CB 3.18Å; D650-Q652 WeakPolarHBondContact OD2-CG 3.13Å; D650-Q652 PolarHBondContact OD2-N 3.49Å
651	S	89.3	Confident	82.5	Confident	3 Å²	3	51.2 Å²	51.2	2%	0.021	33%	0.33	C	S	.	.			trans	-105	4.4	178.2	-55.7	0	0	0	0	112.1	K367 G653 Y654 D658 L659 D663	K367-S651 PolarHBondContact NZ-OG 3.01Å; S651-G653 PolarHBondContact O-N 3.49Å; S651-Y654 PolarHBondContact O-N 3.25Å; S651-Y654 VanDerWaalsContact O-N 3.09Å; S651-D658 PolarHBondContact OG-N 2.75Å; S651-L659 PolarHBondContact OG-N 3.3Å; S651-D663 WeakPolarHBondContact CB-OD1 3.47Å; S651-D663 WeakPolarHBondContact CB-OD2 3.2Å; S651-D663 PolarHBondContact N-OD1 3.45Å; S651-D663 PolarHBondContact OG-OD1 2.91Å; S651-D663 PolarHBondContact OG-OD2 2.75Å
652	Q	83.8	Confident	84.1	Confident	80 Å²	80	47.6 Å²	47.6	37%	0.374	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	128	174	-68.5	-65.9	-37.5	0	0	111.1	T576 D650	T576-Q652 PolarHBondContact OG1-NE2 3.41Å; T576-Q652 PolarHBondContact OG1-OE1 3.37Å; D650-Q652 WeakPolarHBondContact OD2-CB 3.18Å; D650-Q652 WeakPolarHBondContact OD2-CG 3.13Å; D650-Q652 PolarHBondContact OD2-N 3.49Å
653	G	84.6	Confident	85.9	Confident	84 Å²	84	42.9 Å²	42.9	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	-1.8	-176	0	0	0	0	0	114.9	S651	S651-G653 PolarHBondContact O-N 3.49Å
654	Y	88.3	Confident	87.2	Confident	53 Å²	53	41.6 Å²	41.6	21%	0.208	26%	0.263	C	S	.	.	S	Bend	trans	-111.8	161.7	171.8	-59.8	-82.8	0	0	0	110.9	Q366 K367 D370 S651 G656 L659	Q366-Y654 HydrophobicContact CB-CD1 4.26Å; Q366-Y654 HydrophobicContact CB-CE1 4.46Å; Q366-Y654 HydrophobicContact CG-CD1 4.02Å; Q366-Y654 HydrophobicContact CG-CE1 3.95Å; K367-Y654 VanDerWaalsContact CA-CE1 3.47Å; K367-Y654 HydrophobicContact CB-CD1 3.89Å; K367-Y654 HydrophobicContact CB-CD2 4.28Å; K367-Y654 HydrophobicContact CB-CE1 3.8Å; K367-Y654 HydrophobicContact CB-CE2 4.2Å; K367-Y654 HydrophobicContact CB-CG 4.14Å; K367-Y654 HydrophobicContact CD-CD2 4.21Å; K367-Y654 HydrophobicContact CD-CE2 4.25Å; K367-Y654 HydrophobicContact CG-CD2 4.17Å; K367-Y654 HydrophobicContact CG-CE1 4.29Å; K367-Y654 HydrophobicContact CG-CE2 3.85Å; D370-Y654 WeakPolarHBondContact CB-OH 3.37Å; D370-Y654 VanDerWaalsContact OD2-CE1 3.22Å; D370-Y654 WeakPolarHBondContact OD2-CE1 3.29Å; D370-Y654 PolarHBondContact OD2-OH 3.48Å; S651-Y654 PolarHBondContact O-N 3.25Å; S651-Y654 VanDerWaalsContact O-N 3.09Å; Y654-G656 PolarHBondContact O-N 2.99Å; Y654-L659 HydrophobicContact CG-CD1 4.08Å
655	E	84.9	Confident	88.4	Confident	145 Å²	145	35.2 Å²	35.2	68%	0.678	22%	0.218	S	C	*	.	S	Bend	trans	-77	103.7	171.7	-172	-175.5	-179.1	0	0	109.5	G363	G363-E655 WeakPolarHBondContact CA-O 2.89Å
656	G	81.6	Confident	88.6	Confident	44 Å²	44	35 Å²	35	45%	0.454	21%	0.206	S	C	.	.	S	Bend	trans	112.6	172.2	179.9	0	0	0	0	0	113.8	Y654	Y654-G656 PolarHBondContact O-N 2.99Å
657	T	84.3	Confident	88.5	Confident	48 Å²	48	37.6 Å²	37.6	29%	0.294	22%	0.215	S	C	.	.	S	Bend	trans	-118.6	166.2	178	64.7	0	0	0	0	110.9	D546 L659	D546-T657 WeakPolarHBondContact OD2-CB 3.24Å; D546-T657 PolarHBondContact OD2-OG1 3.1Å; T657-L659 PolarHBondContact O-N 2.94Å
658	D	87.6	Confident	88.6	Confident	16 Å²	16	35.3 Å²	35.3	9%	0.086	21%	0.205	C	C	.	.	S	Bend	trans	56.2	35.5	175.3	-80.6	-25.6	0	0	0	113.6	S651 F661 K662 D663	S651-D658 PolarHBondContact OG-N 2.75Å; D658-F661 CarbonylContact C-O 3.48Å; D658-F661 WeakPolarHBondContact CA-O 3.5Å; D658-K662 HydrophobicContact CB-CD 3.61Å; D658-K662 VanDerWaalsContact CB-NZ 3.27Å; D658-K662 VanDerWaalsContact OD1-CA 3.29Å; D658-K662 WeakPolarHBondContact OD1-CA 3.4Å; D658-K662 VanDerWaalsContact OD1-CD 3.29Å; D658-K662 WeakPolarHBondContact OD1-CD 3.36Å; D658-K662 WeakPolarHBondContact OD2-CD 3.41Å; D658-K662 IonicContact OD2-NZ 3.98Å; D658-K662 PolarHBondContact OD2-NZ 3.12Å; D658-D663 PolarHBondContact N-OD2 3.46Å; D658-D663 PolarHBondContact OD1-N 3.41Å
659	L	91.6	Very high	88.5	Confident	9 Å²	9	36 Å²	36	5%	0.047	21%	0.209	C	C	.	.			trans	-78.7	126	-173.7	-59	175.5	0	0	0	111.1	E364 K367 S651 Y654 T657 F661	E364-L659 HydrophobicContact CG-CB 3.96Å; E364-L659 HydrophobicContact CG-CD2 3.65Å; E364-L659 HydrophobicContact CG-CG 4.4Å; K367-L659 HydrophobicContact CD-CB 3.54Å; K367-L659 HydrophobicContact CD-CD1 4.28Å; K367-L659 WeakPolarHBondContact CD-O 3.4Å; K367-L659 WeakPolarHBondContact CE-O 3.44Å; K367-L659 PolarHBondContact NZ-O 3.19Å; S651-L659 PolarHBondContact OG-N 3.3Å; Y654-L659 HydrophobicContact CG-CD1 4.08Å; T657-L659 PolarHBondContact O-N 2.94Å; L659-F661 PolarHBondContact N-O 3.13Å; L659-F661 PolarHBondContact O-N 3.39Å
660	I	94.7	Very high	88.5	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.031	22%	0.215	C	C	.	.	S	Bend	trans	65.6	-53.3	-174.1	-50.7	172.3	0	0	0	113.5	W357 V359 E364 K367 C368 M371 T408	W357-I660 HydrophobicContact CZ2-CG2 4.02Å; V359-I660 HydrophobicContact CG1-CG1 4.49Å; E364-I660 HydrophobicContact CB-CG1 4.48Å; E364-I660 PolarHBondContact OE1-N 3.28Å; K367-I660 HydrophobicContact CB-CD1 4.16Å; K367-I660 HydrophobicContact CD-CD1 4.38Å; K367-I660 HydrophobicContact CG-CD1 4.06Å; C368-I660 HydrophobicContact CB-CD1 3.63Å; M371-I660 HydrophobicContact CE-CD1 4.07Å; M371-I660 HydrophobicContact CE-CG2 4.3Å; M371-I660 HydrophobicContact SD-CD1 4.31Å; T408-I660 WeakPolarHBondContact CB-O 3.46Å; T408-I660 WeakPolarHBondContact CG2-O 3.43Å; T408-I660 PolarHBondContact OG1-O 2.81Å
661	F	94.3	Very high	88.6	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.009	21%	0.211	C	C	.	.	S	Bend	trans	-126.1	153.4	175.1	-62.2	-67	0	0	0	108.4	W357 M371 T408 E429 V616 L631 M648 F649 D658 L659 I668	W357-F661 HydrophobicContact CH2-CE1 4.28Å; W357-F661 HydrophobicContact CH2-CE2 4.44Å; W357-F661 AromaticContact CH2-CZ 3.59Å; W357-F661 HydrophobicContact CH2-CZ 3.59Å; W357-F661 HydrophobicContact CZ2-CE1 4.09Å; W357-F661 HydrophobicContact CZ2-CE2 4.41Å; W357-F661 AromaticContact CZ2-CZ 3.65Å; W357-F661 HydrophobicContact CZ2-CZ 3.65Å; M371-F661 HydrophobicContact SD-CE2 4.18Å; T408-F661 HydrophobicContact CG2-CD1 4.26Å; E429-F661 HydrophobicContact CG-CD1 4.19Å; E429-F661 WeakPolarHBondContact OE1-CA 3.49Å; E429-F661 WeakPolarHBondContact OE1-CB 3.49Å; V616-F661 HydrophobicContact CG2-CE1 3.98Å; L631-F661 HydrophobicContact CD1-CZ 4.45Å; L631-F661 HydrophobicContact CD2-CE2 4.49Å; L631-F661 HydrophobicContact CD2-CZ 3.98Å; M648-F661 HydrophobicContact CE-CE2 4.06Å; F649-F661 HydrophobicContact CD1-CB 3.98Å; F649-F661 HydrophobicContact CD1-CD2 4.39Å; F649-F661 HydrophobicContact CD1-CG 4.25Å; F649-F661 HydrophobicContact CE1-CD2 4.34Å; F649-F661 HydrophobicContact CE1-CG 4.31Å; D658-F661 CarbonylContact C-O 3.48Å; D658-F661 WeakPolarHBondContact CA-O 3.5Å; L659-F661 PolarHBondContact N-O 3.13Å; L659-F661 PolarHBondContact O-N 3.39Å; F661-I668 HydrophobicContact CD1-CD1 3.97Å; F661-I668 HydrophobicContact CE1-CD1 3.83Å; F661-I668 HydrophobicContact CZ-CD1 4.46Å
662	K	90.5	Very high	88.6	Confident	31 Å²	31	36 Å²	36	14%	0.135	21%	0.214	C	C	.	.			trans	-65.5	141.1	172.1	-63.1	-56.7	178.2	-171.3	0	110.9	E429 Y431 Y545 H614 D658 S664 T665	E429-K662 PolarHBondContact OE1-N 3.47Å; E429-K662 WeakPolarHBondContact OE2-CG 3.47Å; Y431-K662 HydrophobicContact CE1-CB 3.91Å; Y431-K662 HydrophobicContact CE1-CG 4.29Å; Y431-K662 WeakPolarHBondContact OH-CG 3.42Å; Y545-K662 HydrophobicContact CD2-CD 4.3Å; H614-K662 WeakPolarHBondContact CE1-CE 3.39Å; H614-K662 WeakPolarHBondContact CE1-CG 3.14Å; H614-K662 VanDerWaalsContact ND1-CG 3.34Å; H614-K662 WeakPolarHBondContact ND1-CG 2.76Å; D658-K662 HydrophobicContact CB-CD 3.61Å; D658-K662 VanDerWaalsContact CB-NZ 3.27Å; D658-K662 VanDerWaalsContact OD1-CA 3.29Å; D658-K662 WeakPolarHBondContact OD1-CA 3.4Å; D658-K662 VanDerWaalsContact OD1-CD 3.29Å; D658-K662 WeakPolarHBondContact OD1-CD 3.36Å; D658-K662 WeakPolarHBondContact OD2-CD 3.41Å; D658-K662 IonicContact OD2-NZ 3.98Å; D658-K662 PolarHBondContact OD2-NZ 3.12Å; K662-S664 PolarHBondContact O-N 3.36Å; K662-S664 VanDerWaalsContact O-N 3.16Å; K662-T665 WeakPolarHBondContact O-CB 3.34Å; K662-T665 PolarHBondContact O-N 3.47Å; K662-T665 PolarHBondContact O-OG1 2.92Å; K662-T665 VanDerWaalsContact O-OG1 3.06Å
663	D	87.8	Confident	88.7	Confident	35 Å²	35	34.8 Å²	34.8	19%	0.187	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12	-179.7	-61.8	-26.7	0	0	0	111.7	K367 F649 S651 D658 T665	K367-D663 IonicContact NZ-OD1 2.9Å; F649-D663 CarbonylContact O-C 3.19Å; F649-D663 WeakPolarHBondContact O-CA 3.21Å; S651-D663 WeakPolarHBondContact CB-OD1 3.47Å; S651-D663 WeakPolarHBondContact CB-OD2 3.2Å; S651-D663 PolarHBondContact N-OD1 3.45Å; S651-D663 PolarHBondContact OG-OD1 2.91Å; S651-D663 PolarHBondContact OG-OD2 2.75Å; D658-D663 PolarHBondContact N-OD2 3.46Å; D658-D663 PolarHBondContact OD1-N 3.41Å; D663-T665 VanDerWaalsContact C-N 3.3Å
664	S	86.1	Confident	89	Confident	16 Å²	16	34 Å²	34	11%	0.112	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.6	171.4	55.6	0	0	0	0	113.4	Y431 K563 Q569 K662 V666	Y431-S664 WeakPolarHBondContact CD1-OG 3.35Å; Y431-S664 VanDerWaalsContact CE1-OG 3.22Å; Y431-S664 WeakPolarHBondContact CE1-OG 3.36Å; K563-S664 PolarHBondContact NZ-OG 3.35Å; Q569-S664 VanDerWaalsContact CD-CB 3.48Å; Q569-S664 VanDerWaalsContact NE2-CA 3.34Å; K662-S664 PolarHBondContact O-N 3.36Å; K662-S664 VanDerWaalsContact O-N 3.16Å; S664-V666 PolarHBondContact O-N 2.81Å; S664-V666 VanDerWaalsContact O-N 3.16Å
665	T	89	Confident	89.1	Confident	7 Å²	7	33 Å²	33	4%	0.043	18%	0.18	C	C	.	.			trans	-67.3	117.7	-174.4	-68.5	0	0	0	0	108.7	E429 Y431 F649 K662 D663 I668	E429-T665 HydrophobicContact CB-CG2 4.09Å; E429-T665 VanDerWaalsContact CD-OG1 3.24Å; E429-T665 HydrophobicContact CG-CG2 4.29Å; E429-T665 PolarHBondContact OE1-OG1 2.96Å; Y431-T665 WeakPolarHBondContact CE1-OG1 3.05Å; F649-T665 WeakPolarHBondContact CB-O 3.5Å; F649-T665 HydrophobicContact CD1-CG2 3.56Å; F649-T665 HydrophobicContact CD2-CG2 4.26Å; F649-T665 WeakPolarHBondContact CD2-O 3.2Å; F649-T665 HydrophobicContact CE1-CG2 3.64Å; F649-T665 HydrophobicContact CE2-CG2 4.32Å; F649-T665 HydrophobicContact CG-CG2 3.91Å; F649-T665 WeakPolarHBondContact CG-O 3.31Å; F649-T665 HydrophobicContact CZ-CG2 4.04Å; K662-T665 WeakPolarHBondContact O-CB 3.34Å; K662-T665 PolarHBondContact O-N 3.47Å; K662-T665 PolarHBondContact O-OG1 2.92Å; K662-T665 VanDerWaalsContact O-OG1 3.06Å; D663-T665 VanDerWaalsContact C-N 3.3Å; T665-I668 HydrophobicContact CG2-CD1 4.13Å
666	V	86.4	Confident	89.5	Confident	47 Å²	47	28.4 Å²	28.4	29%	0.285	16%	0.162	S	C	.	.			trans	-79	-39.7	177.4	174.9	0	0	0	0	110	S430 E433 S664	S430-V666 WeakPolarHBondContact O-CB 3.31Å; S430-V666 PolarHBondContact O-N 2.88Å; E433-V666 HydrophobicContact CG-CG1 3.62Å; S664-V666 PolarHBondContact O-N 2.81Å; S664-V666 VanDerWaalsContact O-N 3.16Å
667	R	89.2	Confident	90.1	Very high	84 Å²	84	28.2 Å²	28.2	32%	0.317	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	161.6	179.7	62.1	-176.3	176.1	112.3	6	111.6	S430 E435 I669	S430-R667 WeakPolarHBondContact CB-O 3.01Å; S430-R667 PolarHBondContact N-O 2.91Å; S430-R667 PolarHBondContact O-N 3.18Å; E435-R667 PolarHBondContact O-NH2 3.18Å; R667-I669 HydrophobicContact CG-CG2 4.2Å
668	I	92.1	Very high	90.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139.9	165	-58.1	-57.2	0	0	0	110.2	A427 A428 E429 Y628 L631 Q635 F649 F661 T665	A427-I668 HydrophobicContact CB-CG2 3.7Å; A428-I668 CarbonylContact O-C 3.48Å; A428-I668 VanDerWaalsContact O-CA 3.3Å; A428-I668 WeakPolarHBondContact O-CA 3.36Å; E429-I668 HydrophobicContact CG-CD1 4.26Å; Y628-I668 HydrophobicContact CD2-CG2 4.1Å; Y628-I668 HydrophobicContact CE2-CG2 4.26Å; L631-I668 HydrophobicContact CB-CB 4.42Å; L631-I668 HydrophobicContact CB-CG1 4.46Å; L631-I668 HydrophobicContact CB-CG2 4.02Å; L631-I668 HydrophobicContact CD1-CG2 4.15Å; Q635-I668 PolarHBondContact NE2-O 3.5Å; Q635-I668 PolarHBondContact OE1-O 3.35Å; F649-I668 HydrophobicContact CE1-CD1 3.93Å; F649-I668 HydrophobicContact CE1-CG1 3.87Å; F649-I668 HydrophobicContact CZ-CD1 4.32Å; F649-I668 HydrophobicContact CZ-CG1 3.83Å; F661-I668 HydrophobicContact CD1-CD1 3.97Å; F661-I668 HydrophobicContact CE1-CD1 3.83Å; F661-I668 HydrophobicContact CZ-CD1 4.46Å; T665-I668 HydrophobicContact CG2-CD1 4.13Å
669	I	91.4	Very high	90.7	Very high	14 Å²	14	33.5 Å²	33.5	7%	0.072	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.4	176.4	63.9	174.2	0	0	0	111.2	A427 A428 D437 R667	A427-I669 WeakPolarHBondContact CA-O 3.45Å; A428-I669 HydrophobicContact CB-CG1 4.02Å; A428-I669 PolarHBondContact N-O 2.93Å; A428-I669 PolarHBondContact O-N 3.4Å; D437-I669 WeakPolarHBondContact O-CD1 3.43Å; R667-I669 HydrophobicContact CG-CG2 4.2Å
670	G	91.4	Very high	90.7	Very high	14 Å²	14	33.3 Å²	33.3	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	155.1	169.1	0	0	0	0	0	111	Y628 G672	Y628-G670 VanDerWaalsContact CZ-N 3.32Å; G670-G672 VanDerWaalsContact C-N 3.3Å; G670-G672 PolarHBondContact O-N 3.32Å
671	V	91.7	Very high	90.5	Very high	10 Å²	10	33.4 Å²	33.4	6%	0.061	17%	0.168	C	C	.	.			trans	-76.7	-15.8	-175.6	-63.3	0	0	0	0	114	P425 I624 D673 K674 K675 W680	P425-V671 HydrophobicContact CB-CG1 3.86Å; P425-V671 HydrophobicContact CG-CG1 4.3Å; I624-V671 HydrophobicContact CD1-CG2 3.98Å; V671-D673 PolarHBondContact O-N 3.19Å; V671-K674 WeakPolarHBondContact O-CB 3.08Å; V671-K674 PolarHBondContact O-N 2.88Å; V671-K675 HydrophobicContact CG2-CG 4.12Å; V671-W680 HydrophobicContact CB-CE3 4.25Å; V671-W680 HydrophobicContact CB-CZ3 4.11Å; V671-W680 HydrophobicContact CG1-CE3 4.19Å; V671-W680 HydrophobicContact CG1-CZ3 4.03Å
672	G	89.6	Confident	90.3	Very high	10 Å²	10	34.7 Å²	34.7	10%	0.103	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-129.9	179.7	0	0	0	0	0	112.6	G670 K674 K675	G670-G672 VanDerWaalsContact C-N 3.3Å; G670-G672 PolarHBondContact O-N 3.32Å; G672-K674 PolarHBondContact O-N 3.39Å; G672-K675 WeakPolarHBondContact O-CE 3.02Å; G672-K675 VanDerWaalsContact O-CG 3.26Å; G672-K675 WeakPolarHBondContact O-CG 3.44Å; G672-K675 PolarHBondContact O-NZ 2.93Å
673	D	86.1	Confident	90	Very high	55 Å²	55	38.8 Å²	38.8	29%	0.294	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.8	176.6	-74.2	-19.7	0	0	0	113.7	Q150 Y263 V671 K675	Q150-D673 PolarHBondContact NE2-OD1 2.03Å; Y263-D673 WeakPolarHBondContact CE1-OD2 3.47Å; Y263-D673 VanDerWaalsContact CZ-OD2 3.25Å; Y263-D673 PolarHBondContact OH-OD2 3.14Å; V671-D673 PolarHBondContact O-N 3.19Å; D673-K675 VanDerWaalsContact C-N 3.35Å; D673-K675 PolarHBondContact O-N 3.49Å
674	K	90.2	Very high	89.7	Confident	67 Å²	67	43.5 Å²	43.5	29%	0.291	23%	0.227	S	C	.	.			trans	-93.6	58.1	-173.7	-60.1	-178.7	-175.1	178.1	0	112.3	P425 S439 V671 G672 E679 W680	P425-K674 WeakPolarHBondContact CG-O 3.39Å; S439-K674 PolarHBondContact OG-NZ 2.73Å; V671-K674 WeakPolarHBondContact O-CB 3.08Å; V671-K674 PolarHBondContact O-N 2.88Å; G672-K674 PolarHBondContact O-N 3.39Å; K674-E679 HydrophobicContact CB-CB 4.22Å; K674-E679 WeakPolarHBondContact CG-O 3.48Å; K674-W680 HydrophobicContact CB-CB 4.41Å; K674-W680 HydrophobicContact CB-CE3 3.64Å; K674-W680 HydrophobicContact CB-CZ3 4.27Å; K674-W680 HydrophobicContact CD-CE3 4.04Å; K674-W680 HydrophobicContact CD-CZ3 4.29Å
675	K	90.1	Very high	89.6	Confident	34 Å²	34	43.7 Å²	43.7	15%	0.148	23%	0.225	C	C	.	.			trans	-85.8	-12.6	-169.5	-60.9	-177.4	177	71.9	0	113.9	D149 P425 I624 V671 G672 D673 E679	D149-K675 WeakPolarHBondContact OD1-CE 3.49Å; D149-K675 IonicContact OD1-NZ 3.47Å; D149-K675 PolarHBondContact OD1-NZ 3.03Å; D149-K675 IonicContact OD2-NZ 2.85Å; D149-K675 PolarHBondContact OD2-NZ 3.2Å; P425-K675 WeakPolarHBondContact CD-O 3.46Å; I624-K675 HydrophobicContact CD1-CD 4.27Å; I624-K675 HydrophobicContact CD1-CG 4.3Å; V671-K675 HydrophobicContact CG2-CG 4.12Å; G672-K675 WeakPolarHBondContact O-CE 3.02Å; G672-K675 VanDerWaalsContact O-CG 3.26Å; G672-K675 WeakPolarHBondContact O-CG 3.44Å; G672-K675 PolarHBondContact O-NZ 2.93Å; D673-K675 VanDerWaalsContact C-N 3.35Å; D673-K675 PolarHBondContact O-N 3.49Å; K675-E679 PolarHBondContact N-OE2 2.78Å
676	T	93.5	Very high	89.5	Confident	48 Å²	48	43.6 Å²	43.6	29%	0.294	22%	0.224	S	C	.	.	S	Bend	trans	-105.3	160.2	172.4	63.2	0	0	0	0	110.8	Q678 E679 W680	T676-Q678 PolarHBondContact O-N 3.14Å; T676-E679 WeakPolarHBondContact CB-OE2 3.35Å; T676-E679 WeakPolarHBondContact CG2-OE2 3.4Å; T676-E679 PolarHBondContact N-OE2 3.1Å; T676-E679 PolarHBondContact O-N 3.33Å; T676-E679 WeakPolarHBondContact OG1-CB 3.32Å; T676-E679 WeakPolarHBondContact OG1-CG 3.4Å; T676-E679 PolarHBondContact OG1-N 3.45Å; T676-E679 PolarHBondContact OG1-OE2 3.39Å; T676-W680 VanDerWaalsContact O-CB 3.3Å; T676-W680 WeakPolarHBondContact O-CB 3.23Å; T676-W680 PolarHBondContact O-N 3.34Å
677	Y	93.9	Very high	89.3	Confident	39 Å²	39	44.5 Å²	44.5	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-34.3	176.7	75.2	-87.9	0	0	0	111.7	W680 L681 M686	Y677-W680 PolarHBondContact O-N 3.05Å; Y677-L681 HydrophobicContact CD2-CD1 4.36Å; Y677-L681 VanDerWaalsContact O-CB 3.25Å; Y677-L681 WeakPolarHBondContact O-CB 3.49Å; Y677-L681 WeakPolarHBondContact O-CG 3.46Å; Y677-L681 PolarHBondContact O-N 3.39Å; Y677-M686 HydrophobicContact CD2-CE 4.44Å; Y677-M686 HydrophobicContact CD2-SD 4.19Å; Y677-M686 HydrophobicContact CE2-CE 3.79Å; Y677-M686 HydrophobicContact CE2-SD 4.12Å
678	Q	92.9	Very high	88.8	Confident	78 Å²	78	42.1 Å²	42.1	36%	0.364	22%	0.224	S	C	.	.	H	α-helix	trans	-67	-46.1	177.6	-58.1	94.8	-36.4	0	0	111.8	T676 W680 G682 M686	T676-Q678 PolarHBondContact O-N 3.14Å; Q678-W680 VanDerWaalsContact C-N 3.32Å; Q678-W680 PolarHBondContact O-N 3.49Å; Q678-G682 WeakPolarHBondContact O-CA 3.47Å; Q678-G682 PolarHBondContact O-N 3.16Å; Q678-M686 HydrophobicContact CG-CE 4Å
679	E	91.9	Very high	88.3	Confident	98 Å²	98	42.5 Å²	42.5	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-67.7	-34.8	177.5	-65.7	160	153.7	0	0	111.7	K674 K675 T676	K674-E679 HydrophobicContact CB-CB 4.22Å; K674-E679 WeakPolarHBondContact CG-O 3.48Å; K675-E679 PolarHBondContact N-OE2 2.78Å; T676-E679 WeakPolarHBondContact CB-OE2 3.35Å; T676-E679 WeakPolarHBondContact CG2-OE2 3.4Å; T676-E679 PolarHBondContact N-OE2 3.1Å; T676-E679 PolarHBondContact O-N 3.33Å; T676-E679 WeakPolarHBondContact OG1-CB 3.32Å; T676-E679 WeakPolarHBondContact OG1-CG 3.4Å; T676-E679 PolarHBondContact OG1-N 3.45Å; T676-E679 PolarHBondContact OG1-OE2 3.39Å
680	W	92.6	Very high	87.7	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.019	24%	0.24	C	C	.	.	H	α-helix	trans	-65.3	-49.7	176.5	-174	-100.3	0	0	0	112.5	P425 A428 S613 A615 V671 K674 T676 Y677 Q678	P425-W680 HydrophobicContact CB-CD2 4.47Å; P425-W680 HydrophobicContact CB-CG 4.43Å; P425-W680 HydrophobicContact CG-CB 4.06Å; P425-W680 HydrophobicContact CG-CG 4.3Å; A428-W680 HydrophobicContact CB-CH2 3.05Å; A428-W680 HydrophobicContact CB-CZ2 3.17Å; A428-W680 HydrophobicContact CB-CZ3 4.08Å; S613-W680 PolarHBondContact O-NE1 2.77Å; A615-W680 HydrophobicContact CB-CZ2 4.37Å; V671-W680 HydrophobicContact CB-CE3 4.25Å; V671-W680 HydrophobicContact CB-CZ3 4.11Å; V671-W680 HydrophobicContact CG1-CE3 4.19Å; V671-W680 HydrophobicContact CG1-CZ3 4.03Å; K674-W680 HydrophobicContact CB-CB 4.41Å; K674-W680 HydrophobicContact CB-CE3 3.64Å; K674-W680 HydrophobicContact CB-CZ3 4.27Å; K674-W680 HydrophobicContact CD-CE3 4.04Å; K674-W680 HydrophobicContact CD-CZ3 4.29Å; T676-W680 VanDerWaalsContact O-CB 3.3Å; T676-W680 WeakPolarHBondContact O-CB 3.23Å; T676-W680 PolarHBondContact O-N 3.34Å; Y677-W680 PolarHBondContact O-N 3.05Å; Q678-W680 VanDerWaalsContact C-N 3.32Å; Q678-W680 PolarHBondContact O-N 3.49Å
681	L	90.1	Very high	87	Confident	8 Å²	8	50.9 Å²	50.9	4%	0.042	27%	0.265	C	S	.	.	H	α-helix	trans	-73.3	-32.8	-178.6	-68.9	179.4	0	0	0	112.5	G411 I414 Y415 P612 Y677 Y685 M686	G411-L681 WeakPolarHBondContact O-CD2 3.36Å; I414-L681 HydrophobicContact CB-CD1 4.45Å; I414-L681 HydrophobicContact CB-CD2 4.06Å; I414-L681 HydrophobicContact CB-CG 4.46Å; I414-L681 HydrophobicContact CG2-CD1 4.07Å; I414-L681 HydrophobicContact CG2-CD2 3.98Å; I414-L681 HydrophobicContact CG2-CG 3.92Å; Y415-L681 HydrophobicContact CD2-CD1 4.32Å; P612-L681 HydrophobicContact CB-CD2 4.04Å; P612-L681 HydrophobicContact CG-CB 4.49Å; P612-L681 HydrophobicContact CG-CD2 3.43Å; P612-L681 VanDerWaalsContact CG-CD2 3.43Å; Y677-L681 HydrophobicContact CD2-CD1 4.36Å; Y677-L681 VanDerWaalsContact O-CB 3.25Å; Y677-L681 WeakPolarHBondContact O-CB 3.49Å; Y677-L681 WeakPolarHBondContact O-CG 3.46Å; Y677-L681 PolarHBondContact O-N 3.39Å; L681-Y685 HydrophobicContact CB-CD1 3.96Å; L681-Y685 HydrophobicContact CD1-CD1 4.23Å; L681-Y685 HydrophobicContact CD1-CE1 4.32Å; L681-Y685 HydrophobicContact CD2-CD1 3.86Å; L681-Y685 HydrophobicContact CD2-CE1 3.86Å; L681-Y685 HydrophobicContact CG-CD1 4.22Å; L681-Y685 WeakPolarHBondContact O-CB 3.37Å; L681-M686 HydrophobicContact CB-CG 4.21Å; L681-M686 HydrophobicContact CB-SD 4.18Å; L681-M686 HydrophobicContact CD1-SD 3.78Å
682	G	88.8	Confident	86.2	Confident	28 Å²	28	51.6 Å²	51.6	29%	0.289	27%	0.268	S	S	.	.			trans	79	150.4	-174.3	0	0	0	0	0	112.3	Q678 D684 Y685 M686	Q678-G682 WeakPolarHBondContact O-CA 3.47Å; Q678-G682 PolarHBondContact O-N 3.16Å; G682-D684 VanDerWaalsContact C-N 3.31Å; G682-D684 PolarHBondContact O-N 2.8Å; G682-Y685 PolarHBondContact O-N 3.06Å; G682-M686 VanDerWaalsContact O-CG 3.27Å; G682-M686 WeakPolarHBondContact O-CG 3.16Å; G682-M686 PolarHBondContact O-N 2.91Å
683	Q	85.8	Confident	85.4	Confident	117 Å²	117	55.4 Å²	55.4	55%	0.547	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-37.6	-172.8	-167.5	62.5	48.3	0	0	113.1	Y685 M686 N687	Q683-Y685 PolarHBondContact O-N 2.75Å; Q683-M686 WeakPolarHBondContact O-CB 3.41Å; Q683-M686 PolarHBondContact O-N 3.47Å; Q683-N687 PolarHBondContact NE2-OD1 3.28Å; Q683-N687 PolarHBondContact O-N 2.84Å; Q683-N687 PolarHBondContact O-ND2 3.38Å; Q683-N687 PolarHBondContact O-OD1 3.35Å
684	D	81.9	Confident	84.3	Confident	135 Å²	135	55 Å²	55	72%	0.722	29%	0.285	S	S	*	.	H	α-helix	trans	-62.4	-46.3	-178.4	-61	-22.9	0	0	0	111.3	G682 N687 S688	G682-D684 VanDerWaalsContact C-N 3.31Å; G682-D684 PolarHBondContact O-N 2.8Å; D684-N687 PolarHBondContact O-N 3.13Å; D684-S688 PolarHBondContact O-N 3.36Å; D684-S688 PolarHBondContact O-OG 2.89Å
685	Y	84.1	Confident	82.2	Confident	20 Å²	20	56.2 Å²	56.2	8%	0.078	30%	0.301	C	S	.	.	H	α-helix	trans	-67.8	-39	176.7	-175.4	-102.1	0	0	0	112.1	G412 T473 N477 V611 P612 L681 G682 Q683 N687 S688 V689	G412-Y685 WeakPolarHBondContact CA-OH 3.48Å; G412-Y685 PolarHBondContact N-OH 2.96Å; T473-Y685 HydrophobicContact CG2-CE2 3.68Å; T473-Y685 PolarHBondContact OG1-OH 2.82Å; N477-Y685 PolarHBondContact ND2-OH 2.82Å; V611-Y685 HydrophobicContact CG1-CD2 4.38Å; V611-Y685 HydrophobicContact CG1-CE2 4.47Å; P612-Y685 HydrophobicContact CG-CD1 4.22Å; P612-Y685 HydrophobicContact CG-CE1 4.5Å; P612-Y685 HydrophobicContact CG-CG 4.34Å; L681-Y685 HydrophobicContact CB-CD1 3.96Å; L681-Y685 HydrophobicContact CD1-CD1 4.23Å; L681-Y685 HydrophobicContact CD1-CE1 4.32Å; L681-Y685 HydrophobicContact CD2-CD1 3.86Å; L681-Y685 HydrophobicContact CD2-CE1 3.86Å; L681-Y685 HydrophobicContact CG-CD1 4.22Å; L681-Y685 WeakPolarHBondContact O-CB 3.37Å; G682-Y685 PolarHBondContact O-N 3.06Å; Q683-Y685 PolarHBondContact O-N 2.75Å; Y685-N687 VanDerWaalsContact C-N 3.34Å; Y685-N687 PolarHBondContact O-N 2.85Å; Y685-S688 PolarHBondContact O-N 2.73Å; Y685-V689 HydrophobicContact CD1-CG2 3.99Å; Y685-V689 HydrophobicContact CE1-CG2 3.52Å; Y685-V689 HydrophobicContact CE2-CG2 4.04Å; Y685-V689 HydrophobicContact CG-CG2 4.5Å; Y685-V689 WeakPolarHBondContact O-CG2 3.41Å; Y685-V689 PolarHBondContact O-N 3.49Å
686	M	85.6	Confident	79.8	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.025	33%	0.333	C	S	.	.	H	α-helix	trans	-56.5	-47.8	175.5	-74	-70.5	-60.2	0	0	111.4	Y415 Y677 Q678 L681 G682 Q683 S688 V689 E690	Y415-M686 HydrophobicContact CD2-CE 3.78Å; Y415-M686 HydrophobicContact CD2-SD 3.49Å; Y415-M686 WeakPolarHBondContact CD2-SD 3.21Å; Y415-M686 HydrophobicContact CE2-CE 3.41Å; Y415-M686 VanDerWaalsContact CE2-CE 3.41Å; Y415-M686 HydrophobicContact CE2-SD 3.77Å; Y677-M686 HydrophobicContact CD2-CE 4.44Å; Y677-M686 HydrophobicContact CD2-SD 4.19Å; Y677-M686 HydrophobicContact CE2-CE 3.79Å; Y677-M686 HydrophobicContact CE2-SD 4.12Å; Q678-M686 HydrophobicContact CG-CE 4Å; L681-M686 HydrophobicContact CB-CG 4.21Å; L681-M686 HydrophobicContact CB-SD 4.18Å; L681-M686 HydrophobicContact CD1-SD 3.78Å; G682-M686 VanDerWaalsContact O-CG 3.27Å; G682-M686 WeakPolarHBondContact O-CG 3.16Å; G682-M686 PolarHBondContact O-N 2.91Å; Q683-M686 WeakPolarHBondContact O-CB 3.41Å; Q683-M686 PolarHBondContact O-N 3.47Å; M686-S688 PolarHBondContact O-N 2.97Å; M686-V689 PolarHBondContact O-N 3.36Å; M686-E690 WeakPolarHBondContact O-CB 3.44Å; M686-E690 WeakPolarHBondContact O-CG 3.34Å; M686-E690 PolarHBondContact O-N 3.44Å
687	N	81.9	Confident	77.4	Confident	66 Å²	66	62 Å²	62	35%	0.353	35%	0.348	S	S	.	.	H	α-helix	trans	-60	-46.6	177.5	-64.1	-14.1	0	0	0	110.9	Q683 D684 Y685 V689 E690 D691	Q683-N687 PolarHBondContact NE2-OD1 3.28Å; Q683-N687 PolarHBondContact O-N 2.84Å; Q683-N687 PolarHBondContact O-ND2 3.38Å; Q683-N687 PolarHBondContact O-OD1 3.35Å; D684-N687 PolarHBondContact O-N 3.13Å; Y685-N687 VanDerWaalsContact C-N 3.34Å; Y685-N687 PolarHBondContact O-N 2.85Å; N687-V689 VanDerWaalsContact C-N 3.31Å; N687-V689 PolarHBondContact O-N 3.32Å; N687-E690 PolarHBondContact O-N 2.75Å; N687-D691 WeakPolarHBondContact O-CB 3.33Å; N687-D691 VanDerWaalsContact O-CG 3.25Å; N687-D691 PolarHBondContact O-N 2.92Å
688	S	79.1	Confident	74.7	Confident	34 Å²	34	67.1 Å²	67.1	24%	0.238	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-38.3	178.4	-56.4	0	0	0	0	112.9	D684 Y685 M686 L692	D684-S688 PolarHBondContact O-N 3.36Å; D684-S688 PolarHBondContact O-OG 2.89Å; Y685-S688 PolarHBondContact O-N 2.73Å; M686-S688 PolarHBondContact O-N 2.97Å; S688-L692 WeakPolarHBondContact O-CD1 3.02Å; S688-L692 VanDerWaalsContact O-CG 3.23Å; S688-L692 WeakPolarHBondContact O-CG 3.36Å; S688-L692 PolarHBondContact O-N 3.48Å
689	V	81.1	Confident	72.2	Confident	8 Å²	8	69 Å²	69	5%	0.048	40%	0.395	C	S	.	.	H	α-helix	trans	-73.9	-38.6	177.6	176	0	0	0	0	111.4	Y415 Y685 M686 N687 L692 E693	Y415-V689 HydrophobicContact CD1-CG1 3.85Å; Y415-V689 HydrophobicContact CD2-CB 4.4Å; Y415-V689 HydrophobicContact CD2-CG1 4.02Å; Y415-V689 HydrophobicContact CE1-CG1 4.1Å; Y415-V689 HydrophobicContact CE2-CG1 4.23Å; Y415-V689 HydrophobicContact CG-CG1 3.84Å; Y685-V689 HydrophobicContact CD1-CG2 3.99Å; Y685-V689 HydrophobicContact CE1-CG2 3.52Å; Y685-V689 HydrophobicContact CE2-CG2 4.04Å; Y685-V689 HydrophobicContact CG-CG2 4.5Å; Y685-V689 WeakPolarHBondContact O-CG2 3.41Å; Y685-V689 PolarHBondContact O-N 3.49Å; M686-V689 PolarHBondContact O-N 3.36Å; N687-V689 VanDerWaalsContact C-N 3.31Å; N687-V689 PolarHBondContact O-N 3.32Å; V689-L692 WeakPolarHBondContact O-CB 3.48Å; V689-L692 PolarHBondContact O-N 3.09Å; V689-E693 PolarHBondContact O-N 3.26Å
690	E	80.2	Confident	69.7	Low	78 Å²	78	68 Å²	68	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-64.3	-39.5	176.6	-77.2	175.4	-177.1	0	0	112.5	Y415 M686 N687 L692 E693 C694	Y415-E690 HydrophobicContact CE2-CG 4.08Å; Y415-E690 VanDerWaalsContact OH-CG 3.23Å; Y415-E690 WeakPolarHBondContact OH-CG 3.39Å; M686-E690 WeakPolarHBondContact O-CB 3.44Å; M686-E690 WeakPolarHBondContact O-CG 3.34Å; M686-E690 PolarHBondContact O-N 3.44Å; N687-E690 PolarHBondContact O-N 2.75Å; E690-L692 PolarHBondContact O-N 3.23Å; E690-E693 PolarHBondContact O-N 2.94Å; E690-C694 PolarHBondContact O-N 2.62Å
691	D	75.3	Confident	67.3	Low	125 Å²	125	71.5 Å²	71.5	67%	0.668	43%	0.433	S	S	*	.	H	α-helix	trans	-63	-32.1	174.1	-72.2	-19.2	0	0	0	111.9	N687	N687-D691 WeakPolarHBondContact O-CB 3.33Å; N687-D691 VanDerWaalsContact O-CG 3.25Å; N687-D691 PolarHBondContact O-N 2.92Å
692	L	76.8	Confident	65.6	Low	25 Å²	25	74.9 Å²	74.9	13%	0.131	46%	0.457	C	S	.	.	H	α-helix	trans	-77	-31.7	174.6	-67.2	169.3	0	0	0	112.7	N477 A480 I484 V496 S688 V689 E690	N477-L692 HydrophobicContact CB-CD1 3.92Å; A480-L692 HydrophobicContact CB-CD2 4.12Å; I484-L692 HydrophobicContact CD1-CD2 3.8Å; V496-L692 HydrophobicContact CG1-CD2 4.04Å; V496-L692 HydrophobicContact CG2-CD2 3.8Å; S688-L692 WeakPolarHBondContact O-CD1 3.02Å; S688-L692 VanDerWaalsContact O-CG 3.23Å; S688-L692 WeakPolarHBondContact O-CG 3.36Å; S688-L692 PolarHBondContact O-N 3.48Å; V689-L692 WeakPolarHBondContact O-CB 3.48Å; V689-L692 PolarHBondContact O-N 3.09Å; E690-L692 PolarHBondContact O-N 3.23Å
693	E	71.7	Confident	64	Low	90 Å²	90	77 Å²	77	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-78.5	-26.2	178.7	-78.7	-163.4	164.3	0	0	113.3	Y415 K419 V689 E690	Y415-E693 WeakPolarHBondContact CE1-OE1 3.27Å; Y415-E693 WeakPolarHBondContact CE1-OE2 3.4Å; K419-E693 IonicContact NZ-OE2 2.64Å; K419-E693 PolarHBondContact NZ-OE2 3.24Å; V689-E693 PolarHBondContact O-N 3.26Å; E690-E693 PolarHBondContact O-N 2.94Å
694	C	62.5	Low	62.6	Low	48 Å²	48	74 Å²	74	32%	0.324	46%	0.464	S	S	.	.			trans	44.8	96	-172	-85	0	0	0	0	114.2	C494 E690 S696	C494-C694 HydrophobicContact CB-CB 3.18Å; C494-C694 WeakPolarHBondContact CB-SG 3.45Å; C494-C694 WeakPolarHBondContact SG-CB 3.47Å; C494-C694 CovalentContact SG-SG 1.98Å; C494-C694 PolarHBondContact SG-SG 3.37Å; E690-C694 PolarHBondContact O-N 2.62Å; C694-S696 PolarHBondContact O-N 2.86Å
695	S	47.2	Very low	61.4	Low	91 Å²	91	73.4 Å²	73.4	64%	0.636	46%	0.459	S	S	*	.			trans	-65.6	101.9	163.7	40.3	0	0	0	0	109.6	S697	S695-S697 PolarHBondContact O-N 3.33Å
696	S	39.2	Very low	60.3	Low	116 Å²	116	78 Å²	78	81%	0.811	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	45.6	173.4	43.8	0	0	0	0	112.7	C694	C694-S696 PolarHBondContact O-N 2.86Å
697	S	42.1	Very low	59.3	Low	87 Å²	87	83.2 Å²	83.2	61%	0.608	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-6.8	-172.8	-44.5	0	0	0	0	114.5	S695	S695-S697 PolarHBondContact O-N 3.33Å
698	N	39.1	Very low	58.7	Low	148 Å²	148	85 Å²	85	79%	0.791	52%	0.521	S	S	*	.	S	Bend	trans	-102.2	4.7	-174.6	-76.6	-22.4	0	0	0	115.9
699	T	39	Very low	58.5	Low	118 Å²	118	87.7 Å²	87.7	72%	0.724	54%	0.536	S	S	*	.	S	Bend	trans	-108.1	-8.1	-178.7	50.3	0	0	0	0	115.4
700	A	39.8	Very low	58.1	Low	77 Å²	77	89.5 Å²	89.5	64%	0.636	55%	0.552	S	S	*	*	S	Bend	trans	-89.7	-19.5	-179.7	0	0	0	0	0	114.7	S702	A700-S702 PolarHBondContact O-N 3.32Å
701	A	43.2	Very low	57.8	Low	77 Å²	77	90.9 Å²	90.9	64%	0.636	56%	0.561	S	S	*	*	H	α-helix	trans	-77.9	-19.1	-175.3	0	0	0	0	0	114.1
702	S	54	Low	57.7	Low	79 Å²	79	89.7 Å²	89.7	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-83.9	-32.3	-175.7	-156.5	0	0	0	0	113.2	A700 L706	A700-S702 PolarHBondContact O-N 3.32Å; S702-L706 WeakPolarHBondContact O-CD1 3.28Å; S702-L706 VanDerWaalsContact O-CG 3.31Å; S702-L706 WeakPolarHBondContact O-CG 3.44Å; S702-L706 PolarHBondContact O-N 3.02Å
703	S	54.5	Low	57.3	Low	72 Å²	72	91.6 Å²	91.6	50%	0.503	57%	0.569	S	S	.	*	H	α-helix	trans	-78.2	-36.2	-174.1	-44.3	0	0	0	0	112.7	L706 L707	S703-L706 PolarHBondContact O-N 2.66Å; S703-L707 PolarHBondContact O-N 2.97Å; S703-L707 VanDerWaalsContact O-N 3.08Å
704	A	56.4	Low	57	Low	56 Å²	56	92.3 Å²	92.3	46%	0.463	58%	0.576	S	S	.	*	H	α-helix	trans	-70	-36.7	178.3	0	0	0	0	0	112.2	L707 L708	A704-L707 PolarHBondContact O-N 2.8Å; A704-L708 WeakPolarHBondContact O-CB 3.38Å; A704-L708 PolarHBondContact O-N 3.21Å
705	L	56.8	Low	57.1	Low	121 Å²	121	93.8 Å²	93.8	63%	0.634	58%	0.584	S	S	*	*	H	α-helix	trans	-67.7	-39.4	176.2	-136.9	82.8	0	0	0	111.4	L708 V709	L705-L708 PolarHBondContact O-N 3.45Å; L705-V709 VanDerWaalsContact O-CG2 3.26Å; L705-V709 WeakPolarHBondContact O-CG2 3.42Å; L705-V709 PolarHBondContact O-N 3.02Å
706	L	60.2	Low	57.6	Low	117 Å²	117	95.4 Å²	95.4	61%	0.613	58%	0.584	S	S	*	*	H	α-helix	trans	-66.3	-38.7	175.7	-74.8	166	0	0	0	112.3	S702 S703 A710	S702-L706 WeakPolarHBondContact O-CD1 3.28Å; S702-L706 VanDerWaalsContact O-CG 3.31Å; S702-L706 WeakPolarHBondContact O-CG 3.44Å; S702-L706 PolarHBondContact O-N 3.02Å; S703-L706 PolarHBondContact O-N 2.66Å; L706-A710 WeakPolarHBondContact O-CB 3.38Å; L706-A710 PolarHBondContact O-N 3.47Å
707	L	65.8	Low	58.5	Low	115 Å²	115	93.8 Å²	93.8	60%	0.602	57%	0.569	S	S	*	*	H	α-helix	trans	-65.6	-40.6	173.4	-88.5	156.2	0	0	0	112.4	S703 A704 A710 L711	S703-L707 PolarHBondContact O-N 2.97Å; S703-L707 VanDerWaalsContact O-N 3.08Å; A704-L707 PolarHBondContact O-N 2.8Å; L707-A710 PolarHBondContact O-N 3.02Å; L707-L711 WeakPolarHBondContact O-CB 3.47Å; L707-L711 WeakPolarHBondContact O-CD1 3.34Å; L707-L711 WeakPolarHBondContact O-CG 3.45Å; L707-L711 PolarHBondContact O-N 2.03Å
708	L	68.9	Low	59	Low	102 Å²	102	94.8 Å²	94.8	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-65.3	-41.9	175.8	-95.8	150.9	0	0	0	112.3	A704 L705 L711 L712	A704-L708 WeakPolarHBondContact O-CB 3.38Å; A704-L708 PolarHBondContact O-N 3.21Å; L705-L708 PolarHBondContact O-N 3.45Å; L708-L711 PolarHBondContact O-N 3.2Å; L708-L712 WeakPolarHBondContact O-CB 3.43Å; L708-L712 WeakPolarHBondContact O-CD1 3.29Å; L708-L712 PolarHBondContact O-N 2.89Å
709	V	74.6	Confident	59.7	Low	91 Å²	91	93.4 Å²	93.4	55%	0.552	57%	0.565	S	S	*	*	H	α-helix	trans	-67	-39.2	176.2	173.8	0	0	0	0	111	L705 L712 S713	L705-V709 VanDerWaalsContact O-CG2 3.26Å; L705-V709 WeakPolarHBondContact O-CG2 3.42Å; L705-V709 PolarHBondContact O-N 3.02Å; V709-L712 PolarHBondContact O-N 2.89Å; V709-S713 PolarHBondContact O-N 2.99Å; V709-S713 PolarHBondContact O-OG 3.32Å
710	A	73.6	Confident	60.2	Low	46 Å²	46	99.4 Å²	99.4	38%	0.38	57%	0.574	S	S	.	*	H	α-helix	trans	-64	-43.9	174.7	0	0	0	0	0	112.2	L706 L707 S713 L714	L706-A710 WeakPolarHBondContact O-CB 3.38Å; L706-A710 PolarHBondContact O-N 3.47Å; L707-A710 PolarHBondContact O-N 3.02Å; A710-S713 PolarHBondContact O-N 3.49Å; A710-S713 PolarHBondContact O-OG 3.33Å; A710-L714 PolarHBondContact O-N 3.35Å; A710-L714 VanDerWaalsContact O-N 3.12Å
711	L	73.7	Confident	60.2	Low	107 Å²	107	105.8 Å²	105.8	56%	0.56	59%	0.593	S	S	*	*	H	α-helix	trans	-65.4	-37.3	176.5	-77	161.4	0	0	0	112.7	L707 L708 T715	L707-L711 WeakPolarHBondContact O-CB 3.47Å; L707-L711 WeakPolarHBondContact O-CD1 3.34Å; L707-L711 WeakPolarHBondContact O-CG 3.45Å; L707-L711 PolarHBondContact O-N 2.03Å; L708-L711 PolarHBondContact O-N 3.2Å; L711-T715 WeakPolarHBondContact O-CG2 3.47Å; L711-T715 PolarHBondContact O-N 3.25Å; L711-T715 PolarHBondContact O-OG1 2.78Å; L711-T715 VanDerWaalsContact O-OG1 3.1Å
712	L	72.4	Confident	61.1	Low	101 Å²	101	107.2 Å²	107.2	53%	0.529	59%	0.591	S	S	.	*	H	α-helix	trans	-67.9	-35.3	174	-85.1	155.9	0	0	0	112.3	L708 V709 T715 L716	L708-L712 WeakPolarHBondContact O-CB 3.43Å; L708-L712 WeakPolarHBondContact O-CD1 3.29Å; L708-L712 PolarHBondContact O-N 2.89Å; V709-L712 PolarHBondContact O-N 2.89Å; L712-T715 WeakPolarHBondContact CA-OG1 3.36Å; L712-T715 PolarHBondContact O-OG1 3Å; L712-L716 WeakPolarHBondContact O-CD1 3.42Å; L712-L716 WeakPolarHBondContact O-CG 3.37Å; L712-L716 PolarHBondContact O-N 2.78Å
713	S	68.1	Low	61.4	Low	64 Å²	64	108.7 Å²	108.7	45%	0.448	59%	0.593	S	S	.	*	H	α-helix	trans	-68.9	-36.9	176.2	68.2	0	0	0	0	113.1	V709 A710 L716 T717	V709-S713 PolarHBondContact O-N 2.99Å; V709-S713 PolarHBondContact O-OG 3.32Å; A710-S713 PolarHBondContact O-N 3.49Å; A710-S713 PolarHBondContact O-OG 3.33Å; S713-L716 PolarHBondContact O-N 3.02Å; S713-T717 PolarHBondContact O-N 2.83Å; S713-T717 PolarHBondContact O-OG1 2.61Å
714	L	66.2	Low	61.8	Low	105 Å²	105	110.7 Å²	110.7	55%	0.55	60%	0.598	S	S	.	*	H	α-helix	trans	-71.7	-29.7	177.1	-78.4	157.7	0	0	0	113.3	A710 T717 N718	A710-L714 PolarHBondContact O-N 3.35Å; A710-L714 VanDerWaalsContact O-N 3.12Å; L714-T717 PolarHBondContact O-OG1 2.93Å; L714-N718 PolarHBondContact O-ND2 3.09Å
715	T	64.6	Low	62.1	Low	80 Å²	80	113.9 Å²	113.9	49%	0.491	61%	0.606	S	S	.	*	H	α-helix	trans	-77.3	-32.6	176.2	48.4	0	0	0	0	112	L711 L712 N718 V719	L711-T715 WeakPolarHBondContact O-CG2 3.47Å; L711-T715 PolarHBondContact O-N 3.25Å; L711-T715 PolarHBondContact O-OG1 2.78Å; L711-T715 VanDerWaalsContact O-OG1 3.1Å; L712-T715 WeakPolarHBondContact CA-OG1 3.36Å; L712-T715 PolarHBondContact O-OG1 3Å; T715-N718 PolarHBondContact O-N 2.58Å; T715-V719 WeakPolarHBondContact O-CG2 3.44Å
716	L	57.6	Low	62.5	Low	125 Å²	125	113.5 Å²	113.5	65%	0.654	60%	0.604	S	S	*	*	H	α-helix	trans	-71.3	-31.8	175	-76.7	162.6	0	0	0	113.2	L712 S713 N718 V719	L712-L716 WeakPolarHBondContact O-CD1 3.42Å; L712-L716 WeakPolarHBondContact O-CG 3.37Å; L712-L716 PolarHBondContact O-N 2.78Å; S713-L716 PolarHBondContact O-N 3.02Å; L716-N718 VanDerWaalsContact C-N 3.34Å; L716-V719 PolarHBondContact O-N 3.35Å
717	T	57.4	Low	62.6	Low	81 Å²	81	113.3 Å²	113.3	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-72.8	-25.5	175.5	49.9	0	0	0	0	113.5	S713 L714 V719	S713-T717 PolarHBondContact O-N 2.83Å; S713-T717 PolarHBondContact O-OG1 2.61Å; L714-T717 PolarHBondContact O-OG1 2.93Å; T717-V719 VanDerWaalsContact C-N 3.34Å
718	N	52.6	Low	62.4	Low	108 Å²	108	113.1 Å²	113.1	58%	0.578	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-2.4	177.8	-75.1	-29	0	0	0	114	L714 T715 L716	L714-N718 PolarHBondContact O-ND2 3.09Å; T715-N718 PolarHBondContact O-N 2.58Å; L716-N718 VanDerWaalsContact C-N 3.34Å
719	V	55.1	Low	61.9	Low	119 Å²	119	114 Å²	114	72%	0.721	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-3.1	173.3	175.9	0	0	0	0	111.1	T715 L716 T717	T715-V719 WeakPolarHBondContact O-CG2 3.44Å; L716-V719 PolarHBondContact O-N 3.35Å; T717-V719 VanDerWaalsContact C-N 3.34Å
720	W	47.9	Very low	60.9	Low	245 Å²	245	115.9 Å²	115.9	93%	0.928	61%	0.614	S	S	*	*			trans	-123	9.8	-177.9	-123.6	43.4	0	0	0	114.7
721	M	41.1	Very low	59.7	Low	210 Å²	210	122.3 Å²	122.3	100%	1.034	64%	0.635	S	S	*	*			trans	-115.8	0	156.4	-77.2	-171.3	-68.2	0	0	107.8

Retrieved 721 of 721 residues in 682.4 ms (Link to these results)

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