A0A077YXU4_TRITR Loading...

Phorbol ester:diacylglycerol binding protein

AlphaFold DB , UniProt , Accession A0A077YXU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,260 aa.

						>A0A077YXU4_TRITR|A0A077YXU4
MQGSADELHTYVTLKLQNVKSTTVSVKGKEPCWEQEFILLVLLIALCRKGKLYVGPGKWLQLFAELETRNGEVVGHRGPTGNQLLADVRFELPLGKEAKILQHKLEALNQMDEEDSDYTSDISFPVHHNNSSAHQYDSHLRSYYKGRGGGEDSEGPSNGVEQSVRLTAVCSCSCGIAFSPIASFVLIAKKMRVYRKAIQALIYPISVSVPHNFQIWTATSPTYCYECEGLLWGLARQGLRCSECGVKCHEKCKDLLSADCLQRAAEKSNKHSGGGDRTHSIICAMKDRMKIQERNKAEIFELIRNVFSIDKKTHHEAMKQVKQCILEGTAKWSAKIAITGVPYLCSRFKLLLVSIPTQNSIACLTNSRYASSSECHNSTDRVKVRVWDEDNDLKSKLRQKLTRESDDFLGQTIIEVRTLSGEMDVWYNLEQTSQQSAVIRAFMSISFIIIAKKTVAIFSVQYICFDESWKVYFEENGQEVVDEFAMRYGIEAIYQAMIHFACLCTKYMCQGVPAVISTLLANINAYYAHTTATSAVSASDRFAASNFGKDRFVRLLDQLHNSLRIDISMYRVGQTAGSQVYGLPLFLLFRCVLELSSPPRASTVVRECATACIKSTYQFLFENCYELFQIGPSTDSVEFWHKMIALMISVIEEDKNIYTPYLNQFPQELNIGQLSAATMWSQYTIDLKLALEEHAEQKKCRSSDYMNLYFKVKWYYNNYVSDIPPYKGTIPEFPGWFIPFVMQWLNENDEISMDFLRGAFDRDPTQWSTCSPRHPTVLFAFQTVNKVLLAYADMVQKDFNQYVSNEKLACILMNNVQQLRVQLEKMYETMDGPNLDPDAQLIMKGLQSKLNNVLEKLTNVFAASLQSNIYDSTVKLGTLLVRVKGSGQVQKSQVTAEADLILEPLMDLLDVSLTKYAQRCEKTVLKKLLKELWRITISCMEKLVVLPVYPDKNLLKQLPNAKIGDVSKMLSNHLKEVKSISSVKEVMDLARESDRSLTPKQCTVLDAALDTIKSYFHAGGSGLKKTFLERSAEYQSLKYALSLYTQTTDQLIKTFIALQRDQDSTSQEEPVGEVSVQVDLFTHPGTGEHKVTVKILAANDLRWQTTGVFRPFIEVHIVGPNQADRKRKFATKTKTNNWAPKFNETFYFILGNEDDLEHYELIFQAKDYCFAREDRLIGVGVLQLRNFVEHDSCACWVQLGRRQQIDETGLILLRILSQRQYDEVAKQFVRLKTESRYESDLHSTPSTFVLDKMSSGTAAV
					

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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	27.8	Very low	44.3	Very low	169 Å²	169	94.7 Å²	94.7	83%	0.833	53%	0.526	S	S	*	.				0	123.3	0	-66.4	-160.8	-97.3	0	0	107.7	L8 L92	M1-L8 HydrophobicContact CE-CD2 4.19Å; M1-L8 HydrophobicContact SD-CD2 4.12Å; M1-L92 HydrophobicContact SD-CD2 4.07Å
2	Q	27.7	Very low	45.9	Very low	209 Å²	209	88.4 Å²	88.4	98%	0.977	49%	0.492	S	S	*	.			trans	-111.6	102	165.4	-82.6	176.7	-30.4	0	0	106.1
3	G	36.4	Very low	47.7	Very low	56 Å²	56	82.4 Å²	82.4	58%	0.577	46%	0.459	S	S	*	.			trans	-146.3	162.6	175.2	0	0	0	0	0	107.6
4	S	38.2	Very low	49.2	Very low	48 Å²	48	78.6 Å²	78.6	34%	0.336	44%	0.437	S	S	.	.			trans	-63.7	149.5	-179.9	74.9	0	0	0	0	110.4	D6 E7	S4-D6 PolarHBondContact O-N 2.91Å; S4-E7 PolarHBondContact O-N 2.78Å; S4-E7 WeakPolarHBondContact OG-CG 3.38Å; S4-E7 PolarHBondContact OG-OE1 3.43Å
5	A	40.3	Very low	50.7	Low	88 Å²	88	78 Å²	78	73%	0.727	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	0.6	-179.6	0	0	0	0	0	113.7	K29	A5-K29 WeakPolarHBondContact O-CE 3.23Å
6	D	48.3	Very low	52	Low	123 Å²	123	75.1 Å²	75.1	66%	0.658	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-11	-179.7	-65.5	-46	0	0	0	113.6	S4 K29	S4-D6 PolarHBondContact O-N 2.91Å; D6-K29 IonicContact OD1-NZ 2.79Å; D6-K29 PolarHBondContact OD1-NZ 2.92Å
7	E	50.6	Low	52.6	Low	111 Å²	111	75.7 Å²	75.7	52%	0.519	41%	0.411	S	S	.	.	S	Bend	trans	-102.9	-3.7	-170	-76.8	161.6	-149.5	0	0	115.7	S4	S4-E7 PolarHBondContact O-N 2.78Å; S4-E7 WeakPolarHBondContact OG-CG 3.38Å; S4-E7 PolarHBondContact OG-OE1 3.43Å
8	L	46.3	Very low	53.2	Low	68 Å²	68	77 Å²	77	36%	0.356	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-97.3	126.8	-176.4	-73.3	165.5	0	0	0	112.5	M1	M1-L8 HydrophobicContact CE-CD2 4.19Å; M1-L8 HydrophobicContact SD-CD2 4.12Å
9	H	54.7	Low	53.7	Low	79 Å²	79	77.7 Å²	77.7	37%	0.366	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.7	169	-73.6	-21.2	0	0	0	110.6	Y11 K27 E91	H9-Y11 HydrophobicContact CB-CE2 4.24Å; H9-K27 VanDerWaalsContact CD2-CE 3.42Å; H9-K27 WeakPolarHBondContact CD2-CE 3.39Å; H9-K27 PolarHBondContact CD2-NZ 3.01Å; H9-K27 WeakPolarHBondContact NE2-CE 3.38Å; H9-K27 PolarHBondContact NE2-NZ 2.78Å; H9-E91 HydrophobicContact CB-CB 4.34Å; H9-E91 PolarHBondContact O-N 3.46Å
10	T	55	Low	53.8	Low	36 Å²	36	83.8 Å²	83.8	22%	0.221	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.4	173.1	-50.9	0	0	0	0	109.4	V12 G28 V88 F90	T10-V12 HydrophobicContact CG2-CG2 4.13Å; T10-G28 PolarHBondContact O-N 2.96Å; T10-V88 HydrophobicContact CG2-CG1 3.83Å; T10-F90 HydrophobicContact CG2-CE1 4.3Å
11	Y	61.7	Low	54.2	Low	55 Å²	55	81.6 Å²	81.6	22%	0.216	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.1	168.2	-60.7	-99.1	0	0	0	108.8	H9 V26 K27 V88 R89 E91	H9-Y11 HydrophobicContact CB-CE2 4.24Å; Y11-V26 WeakPolarHBondContact CA-O 3.12Å; Y11-K27 HydrophobicContact CD1-CB 3.93Å; Y11-K27 HydrophobicContact CD1-CG 4.42Å; Y11-K27 HydrophobicContact CE1-CB 3.77Å; Y11-K27 HydrophobicContact CE1-CD 3.9Å; Y11-K27 HydrophobicContact CE1-CG 3.96Å; Y11-V88 WeakPolarHBondContact O-CA 3.24Å; Y11-R89 PolarHBondContact N-O 3.25Å; Y11-R89 PolarHBondContact O-N 2.93Å; Y11-E91 HydrophobicContact CD2-CB 4.21Å; Y11-E91 HydrophobicContact CE2-CB 3.65Å; Y11-E91 HydrophobicContact CE2-CG 4.36Å; Y11-E91 WeakPolarHBondContact CE2-OE2 3.43Å; Y11-E91 VanDerWaalsContact CZ-OE2 3.29Å; Y11-E91 PolarHBondContact OH-OE2 2.85Å
12	V	64.4	Low	56	Low	19 Å²	19	77.2 Å²	77.2	12%	0.115	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.4	175.8	-174.2	0	0	0	0	109.7	T10 L14 S25 V26 P31 W33 V88	T10-V12 HydrophobicContact CG2-CG2 4.13Å; V12-L14 HydrophobicContact CG1-CD2 4.29Å; V12-S25 WeakPolarHBondContact O-CA 3.27Å; V12-V26 PolarHBondContact N-O 3.39Å; V12-V26 VanDerWaalsContact N-O 3.11Å; V12-V26 PolarHBondContact O-N 2.81Å; V12-V26 VanDerWaalsContact O-N 3.12Å; V12-P31 HydrophobicContact CB-CB 4.44Å; V12-P31 HydrophobicContact CB-CG 4.3Å; V12-P31 HydrophobicContact CG2-CB 4.38Å; V12-P31 HydrophobicContact CG2-CG 3.83Å; V12-W33 HydrophobicContact CB-CH2 4.16Å; V12-W33 HydrophobicContact CB-CZ2 4.4Å; V12-W33 HydrophobicContact CG1-CH2 3.82Å; V12-W33 HydrophobicContact CG1-CZ2 4.3Å; V12-V88 HydrophobicContact CG1-CG2 4.43Å; V12-V88 HydrophobicContact CG2-CG2 4.38Å
13	T	68.3	Low	57.9	Low	10 Å²	10	68 Å²	68	6%	0.061	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.5	174.3	-54.5	0	0	0	0	108.5	T22 S25 D87	T13-T22 HydrophobicContact CG2-CG2 3.59Å; T13-S25 PolarHBondContact OG1-OG 3.04Å; T13-D87 PolarHBondContact N-O 3.35Å; T13-D87 PolarHBondContact O-N 2.9Å
14	L	69.4	Low	59.6	Low	30 Å²	30	69.7 Å²	69.7	16%	0.157	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.4	178.9	-59.9	177.3	0	0	0	110.1	V12 T22 T23 W33 L84 L85 A86	V12-L14 HydrophobicContact CG1-CD2 4.29Å; L14-T22 CarbonylContact O-C 3.49Å; L14-T22 VanDerWaalsContact O-CA 3.3Å; L14-T22 WeakPolarHBondContact O-CA 3.45Å; L14-T23 HydrophobicContact CB-CG2 3.99Å; L14-T23 PolarHBondContact N-OG1 3.5Å; L14-T23 PolarHBondContact O-N 3.33Å; L14-W33 HydrophobicContact CD1-CE3 4.3Å; L14-W33 HydrophobicContact CD1-CH2 3.66Å; L14-W33 HydrophobicContact CD1-CZ2 4.2Å; L14-W33 HydrophobicContact CD1-CZ3 3.71Å; L14-W33 HydrophobicContact CD2-CH2 4.48Å; L14-W33 HydrophobicContact CG-CH2 3.74Å; L14-W33 HydrophobicContact CG-CZ2 4.05Å; L14-W33 HydrophobicContact CG-CZ3 4.33Å; L14-L84 HydrophobicContact CB-CD1 4.21Å; L14-L84 HydrophobicContact CD2-CD1 4.38Å; L14-L85 WeakPolarHBondContact CA-O 3.07Å; L14-A86 HydrophobicContact CD2-CB 3.96Å
15	K	70.7	Confident	61	Low	69 Å²	69	70.8 Å²	70.8	30%	0.3	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.6	177.8	-65.8	176.4	177.8	170.1	0	110.7	T22 L84 L85	K15-T22 HydrophobicContact CG-CG2 3.89Å; K15-L84 WeakPolarHBondContact O-CA 3.38Å; K15-L85 HydrophobicContact CB-CB 4.32Å; K15-L85 HydrophobicContact CD-CD2 4.34Å; K15-L85 PolarHBondContact N-O 3.43Å; K15-L85 PolarHBondContact O-N 3.41Å
16	L	72.3	Confident	62.1	Low	31 Å²	31	68.1 Å²	68.1	16%	0.162	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.9	175	-119.3	86.5	0	0	0	111.7	N18 V19 S21 L62 Q83 L84	L16-N18 PolarHBondContact O-N 3.07Å; L16-V19 HydrophobicContact CB-CB 4.27Å; L16-V19 HydrophobicContact CB-CG2 4.35Å; L16-V19 HydrophobicContact CD2-CB 4.42Å; L16-V19 HydrophobicContact CD2-CG2 3.7Å; L16-V19 PolarHBondContact O-N 2.79Å; L16-S21 PolarHBondContact N-O 3.17Å; L16-S21 VanDerWaalsContact N-O 3.11Å; L16-L62 HydrophobicContact CD1-CD1 4.24Å; L16-L62 HydrophobicContact CD2-CD1 4.26Å; L16-L62 HydrophobicContact CG-CD1 4.31Å; L16-Q83 WeakPolarHBondContact CA-O 3.34Å; L16-L84 HydrophobicContact CD1-CD1 3.66Å
17	Q	61.6	Low	62.9	Low	86 Å²	86	67.2 Å²	67.2	40%	0.402	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-28.5	-164.9	-161.3	161.9	-15	0	0	115.4	W59 Q83	Q17-W59 HydrophobicContact CB-CE3 3.84Å; Q17-W59 HydrophobicContact CB-CH2 4.02Å; Q17-W59 HydrophobicContact CB-CZ3 3.49Å; Q17-W59 VanDerWaalsContact CB-CZ3 3.49Å; Q17-W59 HydrophobicContact CG-CE3 4.19Å; Q17-W59 HydrophobicContact CG-CH2 3.98Å; Q17-W59 HydrophobicContact CG-CZ2 4.35Å; Q17-W59 HydrophobicContact CG-CZ3 3.91Å; Q17-Q83 HydrophobicContact CB-CB 4.05Å; Q17-Q83 PolarHBondContact N-O 3.41Å
18	N	64.8	Low	63.3	Low	99 Å²	99	63.4 Å²	63.4	53%	0.529	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-10.8	-176.9	-57.5	-26.5	0	0	0	114.3	L16 G81 N82	L16-N18 PolarHBondContact O-N 3.07Å; N18-G81 PolarHBondContact ND2-O 2.94Å; N18-N82 WeakPolarHBondContact CB-OD1 3.42Å; N18-N82 PolarHBondContact ND2-OD1 2.96Å
19	V	61	Low	63.6	Low	91 Å²	91	67 Å²	67	55%	0.552	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-7.6	-175.5	-168.3	0	0	0	0	111.4	L16 S21	L16-V19 HydrophobicContact CB-CB 4.27Å; L16-V19 HydrophobicContact CB-CG2 4.35Å; L16-V19 HydrophobicContact CD2-CB 4.42Å; L16-V19 HydrophobicContact CD2-CG2 3.7Å; L16-V19 PolarHBondContact O-N 2.79Å; V19-S21 PolarHBondContact O-N 2.85Å
20	K	57.5	Low	63.6	Low	199 Å²	199	69.9 Å²	69.9	87%	0.865	37%	0.367	S	S	*	.			trans	51.5	17.8	-170	-65.1	-175.4	178.4	178	0	114
21	S	60.5	Low	63.6	Low	38 Å²	38	69.4 Å²	69.4	27%	0.266	36%	0.364	S	S	.	.			trans	-86.8	138.3	-179.8	-172.9	0	0	0	0	110.7	L16 V19	L16-S21 PolarHBondContact N-O 3.17Å; L16-S21 VanDerWaalsContact N-O 3.11Å; V19-S21 PolarHBondContact O-N 2.85Å
22	T	66.6	Low	63.4	Low	76 Å²	76	71.2 Å²	71.2	47%	0.466	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-134.9	129.3	177.2	-59.1	0	0	0	0	108	T13 L14 K15	T13-T22 HydrophobicContact CG2-CG2 3.59Å; L14-T22 CarbonylContact O-C 3.49Å; L14-T22 VanDerWaalsContact O-CA 3.3Å; L14-T22 WeakPolarHBondContact O-CA 3.45Å; K15-T22 HydrophobicContact CG-CG2 3.89Å
23	T	68.1	Low	63.3	Low	17 Å²	17	73.8 Å²	73.8	10%	0.104	39%	0.391	C	S	.	.			trans	-76	156.5	177.5	64	0	0	0	0	111.6	L14 W33 I38	L14-T23 HydrophobicContact CB-CG2 3.99Å; L14-T23 PolarHBondContact N-OG1 3.5Å; L14-T23 PolarHBondContact O-N 3.33Å; T23-W33 VanDerWaalsContact CB-NE1 3.34Å; T23-W33 PolarHBondContact OG1-NE1 3.48Å; T23-I38 HydrophobicContact CG2-CD1 4.21Å
24	V	70.4	Confident	62.3	Low	91 Å²	91	82.3 Å²	82.3	55%	0.552	43%	0.43	S	S	*	.			trans	-62.1	140	170.7	-161.9	0	0	0	0	108.9	V26 W33	V24-V26 PolarHBondContact O-N 3.16Å; V24-V26 VanDerWaalsContact O-N 3.14Å; V24-W33 PolarHBondContact O-NE1 2.73Å
25	S	68.8	Low	61.2	Low	70 Å²	70	86 Å²	86	49%	0.49	45%	0.447	S	S	.	.			trans	-65.9	112.7	177.7	-56.4	0	0	0	0	110.8	V12 T13	V12-S25 WeakPolarHBondContact O-CA 3.27Å; T13-S25 PolarHBondContact OG1-OG 3.04Å
26	V	64.1	Low	59.8	Low	32 Å²	32	90.9 Å²	90.9	19%	0.194	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.1	179.8	175	0	0	0	0	110.2	Y11 V12 V24 P31 C32 W33	Y11-V26 WeakPolarHBondContact CA-O 3.12Å; V12-V26 PolarHBondContact N-O 3.39Å; V12-V26 VanDerWaalsContact N-O 3.11Å; V12-V26 PolarHBondContact O-N 2.81Å; V12-V26 VanDerWaalsContact O-N 3.12Å; V24-V26 PolarHBondContact O-N 3.16Å; V24-V26 VanDerWaalsContact O-N 3.14Å; V26-P31 HydrophobicContact CB-CB 4.02Å; V26-P31 HydrophobicContact CG1-CB 3.66Å; V26-C32 WeakPolarHBondContact CG2-O 3.33Å; V26-W33 HydrophobicContact CB-CZ2 4.41Å; V26-W33 HydrophobicContact CG2-CD2 4.19Å; V26-W33 HydrophobicContact CG2-CG 4.08Å; V26-W33 HydrophobicContact CG2-CZ2 4.34Å; V26-W33 VanDerWaalsContact CG2-NE1 3.25Å
27	K	63.3	Low	58.1	Low	105 Å²	105	98.4 Å²	98.4	46%	0.457	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.6	177	179.2	178.2	-179.8	165	0	110	H9 Y11	H9-K27 VanDerWaalsContact CD2-CE 3.42Å; H9-K27 WeakPolarHBondContact CD2-CE 3.39Å; H9-K27 PolarHBondContact CD2-NZ 3.01Å; H9-K27 WeakPolarHBondContact NE2-CE 3.38Å; H9-K27 PolarHBondContact NE2-NZ 2.78Å; Y11-K27 HydrophobicContact CD1-CB 3.93Å; Y11-K27 HydrophobicContact CD1-CG 4.42Å; Y11-K27 HydrophobicContact CE1-CB 3.77Å; Y11-K27 HydrophobicContact CE1-CD 3.9Å; Y11-K27 HydrophobicContact CE1-CG 3.96Å
28	G	59.5	Low	57.4	Low	30 Å²	30	97.8 Å²	97.8	31%	0.309	50%	0.501	S	S	.	.	S	Bend	trans	164.9	172.2	171.7	0	0	0	0	0	114.9	T10 E30	T10-G28 PolarHBondContact O-N 2.96Å; G28-E30 VanDerWaalsContact C-N 3.31Å
29	K	52.3	Low	55.9	Low	145 Å²	145	97.1 Å²	97.1	63%	0.63	50%	0.497	S	S	*	.	S	Bend	trans	-70.7	-29.2	168.3	-73.8	-176.3	172.8	-178.3	0	112.2	A5 D6	A5-K29 WeakPolarHBondContact O-CE 3.23Å; D6-K29 IonicContact OD1-NZ 2.79Å; D6-K29 PolarHBondContact OD1-NZ 2.92Å
30	E	54.7	Low	54.3	Low	139 Å²	139	101 Å²	101	65%	0.65	51%	0.514	S	S	*	.	S	Bend	trans	-132.7	83.1	179.5	-65	-179.7	163.4	0	0	107.6	G28 C32 R48	G28-E30 VanDerWaalsContact C-N 3.31Å; E30-C32 PolarHBondContact O-N 3.06Å; E30-R48 IonicContact OE1-CZ 3.87Å; E30-R48 IonicContact OE1-NE 2.67Å; E30-R48 IonicContact OE1-NH2 2.68Å; E30-R48 PolarHBondContact OE1-NH2 2.91Å
31	P	55.8	Low	53.3	Low	26 Å²	26	97.7 Å²	97.7	17%	0.169	51%	0.51	C	S	.	.			trans	-70.6	119.3	-176.1	27	-33.2	0	0	0	111.4	V12 V26	V12-P31 HydrophobicContact CB-CB 4.44Å; V12-P31 HydrophobicContact CB-CG 4.3Å; V12-P31 HydrophobicContact CG2-CB 4.38Å; V12-P31 HydrophobicContact CG2-CG 3.83Å; V26-P31 HydrophobicContact CB-CB 4.02Å; V26-P31 HydrophobicContact CG1-CB 3.66Å
32	C	57.2	Low	52.1	Low	93 Å²	93	99.1 Å²	99.1	63%	0.628	51%	0.514	S	S	*	.			trans	-122.3	147.6	178.6	-169.2	0	0	0	0	110.7	V26 E30	V26-C32 WeakPolarHBondContact CG2-O 3.33Å; E30-C32 PolarHBondContact O-N 3.06Å
33	W	62.2	Low	50.7	Low	72 Å²	72	103.4 Å²	103.4	27%	0.273	53%	0.533	S	S	.	.			trans	-115.5	111.3	175	-67.3	-89	0	0	0	109.9	V12 L14 T23 V24 V26 Q35	V12-W33 HydrophobicContact CB-CH2 4.16Å; V12-W33 HydrophobicContact CB-CZ2 4.4Å; V12-W33 HydrophobicContact CG1-CH2 3.82Å; V12-W33 HydrophobicContact CG1-CZ2 4.3Å; L14-W33 HydrophobicContact CD1-CE3 4.3Å; L14-W33 HydrophobicContact CD1-CH2 3.66Å; L14-W33 HydrophobicContact CD1-CZ2 4.2Å; L14-W33 HydrophobicContact CD1-CZ3 3.71Å; L14-W33 HydrophobicContact CD2-CH2 4.48Å; L14-W33 HydrophobicContact CG-CH2 3.74Å; L14-W33 HydrophobicContact CG-CZ2 4.05Å; L14-W33 HydrophobicContact CG-CZ3 4.33Å; T23-W33 VanDerWaalsContact CB-NE1 3.34Å; T23-W33 PolarHBondContact OG1-NE1 3.48Å; V24-W33 PolarHBondContact O-NE1 2.73Å; V26-W33 HydrophobicContact CB-CZ2 4.41Å; V26-W33 HydrophobicContact CG2-CD2 4.19Å; V26-W33 HydrophobicContact CG2-CG 4.08Å; V26-W33 HydrophobicContact CG2-CZ2 4.34Å; V26-W33 VanDerWaalsContact CG2-NE1 3.25Å; W33-Q35 PolarHBondContact O-N 3.39Å; W33-Q35 VanDerWaalsContact O-N 3.09Å
34	E	48.6	Very low	49.3	Very low	189 Å²	189	107.4 Å²	107.4	88%	0.883	55%	0.553	S	S	*	*			trans	-79.8	26.1	176.8	-61	-174.8	150.6	0	0	113.2
35	Q	45.1	Very low	47.8	Very low	107 Å²	107	106.1 Å²	106.1	50%	0.5	55%	0.552	S	S	.	*			trans	-102.1	100.7	-177.9	-72.5	-175.8	-28.5	0	0	111	W33 F37	W33-Q35 PolarHBondContact O-N 3.39Å; W33-Q35 VanDerWaalsContact O-N 3.09Å; Q35-F37 PolarHBondContact O-N 3.01Å
36	E	41.9	Very low	46.2	Very low	172 Å²	172	109.1 Å²	109.1	80%	0.804	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-8.2	-178.1	-60.7	-175.2	135.7	0	0	115.3
37	F	37	Very low	44.4	Very low	190 Å²	190	112.3 Å²	112.3	83%	0.833	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-2.6	-164.6	-73.2	-83.6	0	0	0	116.5	Q35	Q35-F37 PolarHBondContact O-N 3.01Å
38	I	45.5	Very low	42.8	Very low	73 Å²	73	117.9 Å²	117.9	37%	0.374	60%	0.603	S	S	.	*	S	Bend	trans	-103.6	-32.4	-167.2	-76.1	-179.9	0	0	0	116.9	T23	T23-I38 HydrophobicContact CG2-CD1 4.21Å
39	L	34.3	Very low	41.2	Very low	85 Å²	85	126.5 Å²	126.5	45%	0.445	63%	0.632	S	S	.	*			trans	-166.8	98.7	176.5	-105.9	156.2	0	0	0	113.2	V41 L42	L39-V41 PolarHBondContact O-N 3.05Å; L39-L42 HydrophobicContact CB-CB 4.15Å; L39-L42 HydrophobicContact CD1-CB 4.2Å; L39-L42 HydrophobicContact CD1-CD1 4.4Å; L39-L42 HydrophobicContact CD1-CD2 4.46Å; L39-L42 HydrophobicContact CD2-CB 4.2Å; L39-L42 HydrophobicContact CD2-CD1 4Å; L39-L42 HydrophobicContact CG-CB 4.4Å
40	L	27.9	Very low	39.9	Very low	173 Å²	173	122.3 Å²	122.3	91%	0.906	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	12.2	-176.7	-140.6	129.3	0	0	0	115
41	V	35.7	Very low	38.6	Very low	128 Å²	128	123.7 Å²	123.7	78%	0.776	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	-12.3	-173.6	-173.4	0	0	0	0	113.5	L39 L43	L39-V41 PolarHBondContact O-N 3.05Å; V41-L43 PolarHBondContact O-N 3.31Å
42	L	35.5	Very low	37.3	Very low	69 Å²	69	128.9 Å²	128.9	36%	0.361	66%	0.659	S	S	.	*			trans	-98.3	96.7	-173.3	-124.6	96.7	0	0	0	113.3	L39 I44 L62	L39-L42 HydrophobicContact CB-CB 4.15Å; L39-L42 HydrophobicContact CD1-CB 4.2Å; L39-L42 HydrophobicContact CD1-CD1 4.4Å; L39-L42 HydrophobicContact CD1-CD2 4.46Å; L39-L42 HydrophobicContact CD2-CB 4.2Å; L39-L42 HydrophobicContact CD2-CD1 4Å; L39-L42 HydrophobicContact CG-CB 4.4Å; L42-I44 HydrophobicContact CD2-CD1 4.1Å; L42-I44 HydrophobicContact CD2-CG1 4Å; L42-I44 PolarHBondContact O-N 3.48Å; L42-L62 HydrophobicContact CD2-CD2 4.03Å
43	L	35.9	Very low	36.1	Very low	165 Å²	165	132.3 Å²	132.3	86%	0.864	66%	0.66	S	S	*	*			trans	-77.5	82.3	175.7	-122.1	160.5	0	0	0	111.3	V41 A45	V41-L43 PolarHBondContact O-N 3.31Å; L43-A45 VanDerWaalsContact C-N 3.35Å; L43-A45 PolarHBondContact O-N 3.31Å
44	I	40.7	Very low	34.8	Very low	102 Å²	102	130.9 Å²	130.9	52%	0.523	66%	0.659	S	S	.	*			trans	-78.7	82.5	174.9	-55.4	-179.3	0	0	0	109.7	L42 L46	L42-I44 HydrophobicContact CD2-CD1 4.1Å; L42-I44 HydrophobicContact CD2-CG1 4Å; L42-I44 PolarHBondContact O-N 3.48Å; I44-L46 PolarHBondContact O-N 2.95Å
45	A	37.1	Very low	34.4	Very low	64 Å²	64	122.9 Å²	122.9	53%	0.529	63%	0.627	S	S	.	*			trans	-85.5	103.4	177.4	0	0	0	0	0	112.1	L43 C47	L43-A45 VanDerWaalsContact C-N 3.35Å; L43-A45 PolarHBondContact O-N 3.31Å; A45-C47 VanDerWaalsContact C-N 3.27Å; A45-C47 PolarHBondContact O-N 3.07Å
46	L	35.5	Very low	34.5	Very low	132 Å²	132	122.4 Å²	122.4	69%	0.691	63%	0.634	S	S	*	*			trans	-74.6	75.6	170.3	-76.5	166.4	0	0	0	111	I44 R48	I44-L46 PolarHBondContact O-N 2.95Å; L46-R48 PolarHBondContact O-N 3.47Å
47	C	27.1	Very low	35	Very low	99 Å²	99	116.8 Å²	116.8	67%	0.669	62%	0.622	S	S	*	*			trans	-66.7	127.4	-177.8	-87.9	0	0	0	0	113.4	A45 K49 G50	A45-C47 VanDerWaalsContact C-N 3.27Å; A45-C47 PolarHBondContact O-N 3.07Å; C47-K49 PolarHBondContact O-N 3.38Å; C47-G50 PolarHBondContact O-N 2.88Å
48	R	29.2	Very low	35.8	Very low	222 Å²	222	114.6 Å²	114.6	84%	0.838	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	8.3	-179.5	-84.3	-175.9	175	172.3	1.6	117.7	E30 L46	E30-R48 IonicContact OE1-CZ 3.87Å; E30-R48 IonicContact OE1-NE 2.67Å; E30-R48 IonicContact OE1-NH2 2.68Å; E30-R48 PolarHBondContact OE1-NH2 2.91Å; L46-R48 PolarHBondContact O-N 3.47Å
49	K	25.1	Very low	36.8	Very low	211 Å²	211	115.7 Å²	115.7	92%	0.917	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	2.8	-174.3	-70.8	-170.5	175.1	-178.4	0	116.2	C47	C47-K49 PolarHBondContact O-N 3.38Å
50	G	26.3	Very low	38.3	Very low	58 Å²	58	114.7 Å²	114.7	60%	0.598	61%	0.607	S	S	*	*			trans	-124.5	126.2	-178.5	0	0	0	0	0	113.4	C47 L52	C47-G50 PolarHBondContact O-N 2.88Å; G50-L52 PolarHBondContact O-N 3.31Å
51	K	26.2	Very low	40.6	Very low	168 Å²	168	109.3 Å²	109.3	73%	0.73	58%	0.577	S	S	*	*			trans	-76.5	88.6	176.1	-73.3	-174.6	173.2	-175.9	0	111.5	Y53	K51-Y53 HydrophobicContact CB-CD2 4.16Å; K51-Y53 HydrophobicContact CB-CE2 3.83Å; K51-Y53 HydrophobicContact CD-CE2 3.91Å; K51-Y53 WeakPolarHBondContact CD-OH 3.27Å; K51-Y53 PolarHBondContact NZ-OH 3.49Å; K51-Y53 PolarHBondContact O-N 3.37Å
52	L	29.1	Very low	42.2	Very low	134 Å²	134	104.3 Å²	104.3	70%	0.702	55%	0.546	S	S	*	.			trans	-76.7	95.6	166.2	-109.3	158.8	0	0	0	109.7	G50 V54	G50-L52 PolarHBondContact O-N 3.31Å; L52-V54 HydrophobicContact CD2-CG2 3.95Å; L52-V54 PolarHBondContact O-N 2.91Å
53	Y	31.9	Very low	43.9	Very low	166 Å²	166	104.4 Å²	104.4	65%	0.651	54%	0.543	S	S	*	.			trans	-75.4	67.5	175.1	-70.9	-83	0	0	0	111.6	K51 G55	K51-Y53 HydrophobicContact CB-CD2 4.16Å; K51-Y53 HydrophobicContact CB-CE2 3.83Å; K51-Y53 HydrophobicContact CD-CE2 3.91Å; K51-Y53 WeakPolarHBondContact CD-OH 3.27Å; K51-Y53 PolarHBondContact NZ-OH 3.49Å; K51-Y53 PolarHBondContact O-N 3.37Å; Y53-G55 VanDerWaalsContact C-N 3.28Å; Y53-G55 PolarHBondContact O-N 3.26Å
54	V	34.9	Very low	45.6	Very low	41 Å²	41	100 Å²	100	25%	0.248	53%	0.53	C	S	.	.			trans	-78.8	84.9	167.2	-169.1	0	0	0	0	108	L52 L60 A86	L52-V54 HydrophobicContact CD2-CG2 3.95Å; L52-V54 PolarHBondContact O-N 2.91Å; V54-L60 HydrophobicContact CG1-CD1 4.02Å; V54-L60 HydrophobicContact CG2-CD1 4.06Å; V54-A86 HydrophobicContact CG1-CB 3.73Å
55	G	39.5	Very low	47.1	Very low	21 Å²	21	100.9 Å²	100.9	22%	0.216	53%	0.532	C	S	.	.			trans	-61.1	139.5	172.4	0	0	0	0	0	110.5	Y53 G57 K58	Y53-G55 VanDerWaalsContact C-N 3.28Å; Y53-G55 PolarHBondContact O-N 3.26Å; G55-G57 PolarHBondContact O-N 3.4Å; G55-K58 PolarHBondContact O-N 3.27Å
56	P	47.8	Very low	48.4	Very low	98 Å²	98	104.2 Å²	104.2	64%	0.636	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	126.7	179.9	25.3	-33.9	0	0	0	109.9
57	G	53.2	Low	50.1	Low	54 Å²	54	100.8 Å²	100.8	56%	0.557	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-6.7	177.7	0	0	0	0	0	116.6	G55 L85	G55-G57 PolarHBondContact O-N 3.4Å; G57-L85 VanDerWaalsContact C-CD1 3.47Å
58	K	53.1	Low	52.1	Low	144 Å²	144	100.8 Å²	100.8	63%	0.626	52%	0.518	S	S	*	.			trans	-87.9	120.4	176.2	-166.2	173.3	-177.1	-179	0	112	G55	G55-K58 PolarHBondContact O-N 3.27Å
59	W	67.7	Low	53.5	Low	96 Å²	96	99 Å²	99	36%	0.364	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131	166.2	-65	98.6	0	0	0	110.2	Q17 Q83 L85	Q17-W59 HydrophobicContact CB-CE3 3.84Å; Q17-W59 HydrophobicContact CB-CH2 4.02Å; Q17-W59 HydrophobicContact CB-CZ3 3.49Å; Q17-W59 VanDerWaalsContact CB-CZ3 3.49Å; Q17-W59 HydrophobicContact CG-CE3 4.19Å; Q17-W59 HydrophobicContact CG-CH2 3.98Å; Q17-W59 HydrophobicContact CG-CZ2 4.35Å; Q17-W59 HydrophobicContact CG-CZ3 3.91Å; W59-Q83 HydrophobicContact CB-CB 4.14Å; W59-Q83 VanDerWaalsContact CB-OE1 3.27Å; W59-Q83 HydrophobicContact CE3-CB 4.02Å; W59-L85 HydrophobicContact CD2-CB 3.8Å; W59-L85 HydrophobicContact CD2-CD2 4.35Å; W59-L85 HydrophobicContact CE3-CB 3.44Å; W59-L85 VanDerWaalsContact CE3-CB 3.44Å; W59-L85 HydrophobicContact CH2-CB 4.05Å; W59-L85 HydrophobicContact CH2-CD2 4.08Å; W59-L85 HydrophobicContact CZ2-CB 4.37Å; W59-L85 HydrophobicContact CZ2-CD2 3.82Å; W59-L85 HydrophobicContact CZ3-CB 3.56Å; W59-L85 HydrophobicContact CZ3-CD2 4.44Å
60	L	65.7	Low	55.2	Low	64 Å²	64	96.9 Å²	96.9	34%	0.335	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.7	179.4	-69.8	166.7	0	0	0	109.5	V54 L62 Q83 L84	V54-L60 HydrophobicContact CG1-CD1 4.02Å; V54-L60 HydrophobicContact CG2-CD1 4.06Å; L60-L62 PolarHBondContact O-N 3.27Å; L60-Q83 CarbonylContact O-C 3.57Å; L60-Q83 WeakPolarHBondContact O-CA 3.17Å; L60-L84 WeakPolarHBondContact CB-O 3.27Å; L60-L84 PolarHBondContact N-O 3Å; L60-L84 PolarHBondContact O-N 2.73Å
61	Q	75.6	Confident	57.2	Low	60 Å²	60	97.7 Å²	97.7	28%	0.28	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	127.6	173.5	-171.9	63.2	46.6	0	0	110.2	F63 P79 N82	Q61-F63 HydrophobicContact CB-CE2 3.86Å; Q61-F63 HydrophobicContact CB-CZ 4.11Å; Q61-F63 HydrophobicContact CG-CE1 4.39Å; Q61-F63 HydrophobicContact CG-CE2 3.97Å; Q61-F63 HydrophobicContact CG-CZ 3.87Å; Q61-F63 VanDerWaalsContact O-CD2 3.29Å; Q61-F63 WeakPolarHBondContact O-CD2 3.37Å; Q61-F63 WeakPolarHBondContact O-CE2 3.47Å; Q61-P79 HydrophobicContact CG-CB 4.36Å; Q61-N82 PolarHBondContact NE2-O 3.1Å
62	L	69.6	Low	58.2	Low	23 Å²	23	96.7 Å²	96.7	12%	0.12	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.3	173.7	-69.7	174	0	0	0	109.6	L16 L42 L60 T80 N82 L84	L16-L62 HydrophobicContact CD1-CD1 4.24Å; L16-L62 HydrophobicContact CD2-CD1 4.26Å; L16-L62 HydrophobicContact CG-CD1 4.31Å; L42-L62 HydrophobicContact CD2-CD2 4.03Å; L60-L62 PolarHBondContact O-N 3.27Å; L62-T80 WeakPolarHBondContact CB-OG1 3.46Å; L62-T80 WeakPolarHBondContact O-CB 3.36Å; L62-T80 PolarHBondContact O-N 3.46Å; L62-T80 PolarHBondContact O-OG1 3.38Å; L62-N82 HydrophobicContact CB-CB 4.38Å; L62-N82 WeakPolarHBondContact CB-O 3.13Å; L62-N82 HydrophobicContact CD1-CB 3.97Å; L62-N82 PolarHBondContact N-O 3.28Å; L62-L84 HydrophobicContact CD1-CB 4.32Å; L62-L84 HydrophobicContact CD2-CB 4.09Å; L62-L84 HydrophobicContact CD2-CD2 4.46Å; L62-L84 HydrophobicContact CG-CB 4.17Å
63	F	71.7	Confident	59.7	Low	70 Å²	70	95 Å²	95	31%	0.307	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.9	178.7	-66.1	-88.5	0	0	0	110.1	Q61 H76 G78 P79	Q61-F63 HydrophobicContact CB-CE2 3.86Å; Q61-F63 HydrophobicContact CB-CZ 4.11Å; Q61-F63 HydrophobicContact CG-CE1 4.39Å; Q61-F63 HydrophobicContact CG-CE2 3.97Å; Q61-F63 HydrophobicContact CG-CZ 3.87Å; Q61-F63 VanDerWaalsContact O-CD2 3.29Å; Q61-F63 WeakPolarHBondContact O-CD2 3.37Å; Q61-F63 WeakPolarHBondContact O-CE2 3.47Å; F63-H76 HydrophobicContact CB-CB 3.93Å; F63-H76 HydrophobicContact CD1-CB 4.13Å; F63-H76 AromaticContact CD1-ND1 3.77Å; F63-H76 HydrophobicContact CD2-CB 4.01Å; F63-H76 AromaticContact CD2-CD2 3.93Å; F63-H76 AromaticContact CD2-CG 3.72Å; F63-H76 AromaticContact CE1-CE1 3.87Å; F63-H76 AromaticContact CE1-ND1 3.49Å; F63-H76 WeakPolarHBondContact CE1-ND1 3.18Å; F63-H76 AromaticContact CE2-CD2 3.8Å; F63-H76 AromaticContact CE2-CE1 3.76Å; F63-H76 AromaticContact CE2-CG 3.82Å; F63-H76 AromaticContact CE2-ND1 3.79Å; F63-H76 AromaticContact CE2-NE2 3.76Å; F63-H76 HydrophobicContact CG-CB 3.76Å; F63-H76 AromaticContact CG-CG 3.83Å; F63-H76 AromaticContact CZ-CE1 3.45Å; F63-H76 VanDerWaalsContact CZ-CE1 3.45Å; F63-H76 WeakPolarHBondContact CZ-CE1 3.48Å; F63-H76 AromaticContact CZ-ND1 3.5Å; F63-H76 AromaticContact CZ-NE2 3.92Å; F63-G78 CarbonylContact C-O 3.56Å; F63-G78 WeakPolarHBondContact CA-O 3.46Å; F63-P79 HydrophobicContact CD1-CB 4.15Å; F63-P79 HydrophobicContact CE1-CB 3.97Å
64	A	71.6	Confident	61.6	Low	72 Å²	72	91.2 Å²	91.2	60%	0.595	51%	0.505	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	-28.7	-177.4	0	0	0	0	0	112.6	R77 G78 T80	A64-R77 PolarHBondContact N-O 3.12Å; A64-G78 WeakPolarHBondContact CB-O 3.27Å; A64-G78 PolarHBondContact N-O 3.12Å; A64-T80 HydrophobicContact CB-CG2 4.09Å
65	E	70.9	Confident	63.5	Low	122 Å²	122	90 Å²	90	57%	0.57	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.7	-171.4	-67.4	173.8	-177.2	0	0	111.8	H76 R77	E65-H76 CarbonylContact O-C 3.54Å; E65-H76 WeakPolarHBondContact O-CA 3.48Å; E65-R77 HydrophobicContact CB-CB 4.11Å; E65-R77 PolarHBondContact N-O 2.75Å; E65-R77 PolarHBondContact O-N 3.42Å
66	L	65.6	Low	65.3	Low	133 Å²	133	94.3 Å²	94.3	70%	0.696	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.3	171.6	-73.8	165.1	0	0	0	109.6	V73	L66-V73 HydrophobicContact CD2-CG1 3.97Å
67	E	70.4	Confident	66.5	Low	61 Å²	61	96.7 Å²	96.7	29%	0.285	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126	170.1	-62.5	-173.4	108	0	0	110.2	V73 V74 G75 R77	E67-V73 CarbonylContact O-C 3.55Å; E67-V73 WeakPolarHBondContact O-CA 3.45Å; E67-V74 HydrophobicContact CB-CG2 3.96Å; E67-V74 PolarHBondContact O-N 3.06Å; E67-G75 PolarHBondContact N-O 3.3Å; E67-R77 HydrophobicContact CG-CG 3.99Å; E67-R77 IonicContact OE1-CZ 2.68Å; E67-R77 IonicContact OE1-NE 3.53Å; E67-R77 PolarHBondContact OE1-NE 3.35Å; E67-R77 IonicContact OE1-NH2 3.51Å; E67-R77 PolarHBondContact OE1-NH2 3.37Å
68	T	69.7	Low	67.4	Low	98 Å²	98	95.9 Å²	95.9	60%	0.601	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	142.5	173.4	56.2	0	0	0	0	111.3	E72 V73	T68-E72 CarbonylContact C-O 3.48Å; T68-E72 VanDerWaalsContact CA-O 3.22Å; T68-E72 WeakPolarHBondContact CA-O 3.1Å; T68-V73 HydrophobicContact CG2-CG2 4.17Å
69	R	57.4	Low	68.3	Low	185 Å²	185	93.3 Å²	93.3	70%	0.698	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.3	172.7	-161.5	175.4	-171.6	176.7	3	107.5	G71 E72 V74	R69-G71 PolarHBondContact O-N 3.16Å; R69-G71 VanDerWaalsContact O-N 3.13Å; R69-E72 PolarHBondContact N-O 3.09Å; R69-E72 PolarHBondContact O-N 3.35Å; R69-V74 HydrophobicContact CB-CB 4.49Å; R69-V74 HydrophobicContact CB-CG1 3.79Å; R69-V74 HydrophobicContact CB-CG2 3.87Å
70	N	61.4	Low	68.4	Low	167 Å²	167	91.5 Å²	91.5	89%	0.893	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	27	-176.7	-55.9	-12	0	0	0	115	E72	N70-E72 VanDerWaalsContact C-N 3.33Å
71	G	68.5	Low	68.7	Low	75 Å²	75	90.8 Å²	90.8	77%	0.773	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-4.3	-176.8	0	0	0	0	0	115.1	R69	R69-G71 PolarHBondContact O-N 3.16Å; R69-G71 VanDerWaalsContact O-N 3.13Å
72	E	46.7	Very low	68.3	Low	147 Å²	147	90.1 Å²	90.1	69%	0.687	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.7	170.9	-61.8	-166.7	145.3	0	0	110.8	T68 R69 N70 V74	T68-E72 CarbonylContact C-O 3.48Å; T68-E72 VanDerWaalsContact CA-O 3.22Å; T68-E72 WeakPolarHBondContact CA-O 3.1Å; R69-E72 PolarHBondContact N-O 3.09Å; R69-E72 PolarHBondContact O-N 3.35Å; N70-E72 VanDerWaalsContact C-N 3.33Å; E72-V74 PolarHBondContact O-N 2.98Å
73	V	61.7	Low	68.4	Low	97 Å²	97	91.8 Å²	91.8	59%	0.588	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.3	174.3	178.6	0	0	0	0	108.5	L66 E67 T68	L66-V73 HydrophobicContact CD2-CG1 3.97Å; E67-V73 CarbonylContact O-C 3.55Å; E67-V73 WeakPolarHBondContact O-CA 3.45Å; T68-V73 HydrophobicContact CG2-CG2 4.17Å
74	V	71.4	Confident	68.3	Low	88 Å²	88	89.6 Å²	89.6	53%	0.533	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-14.7	-176.3	-69.9	0	0	0	0	113.8	E67 R69 E72	E67-V74 HydrophobicContact CB-CG2 3.96Å; E67-V74 PolarHBondContact O-N 3.06Å; R69-V74 HydrophobicContact CB-CB 4.49Å; R69-V74 HydrophobicContact CB-CG1 3.79Å; R69-V74 HydrophobicContact CB-CG2 3.87Å; E72-V74 PolarHBondContact O-N 2.98Å
75	G	73.4	Confident	68.1	Low	16 Å²	16	87.2 Å²	87.2	17%	0.165	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-174.7	-174.9	0	0	0	0	0	113.8	E67	E67-G75 PolarHBondContact N-O 3.3Å
76	H	77.7	Confident	67.7	Low	110 Å²	110	81.9 Å²	81.9	51%	0.509	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	135.3	-177.5	49.4	44.4	0	0	0	110.7	F63 E65	F63-H76 HydrophobicContact CB-CB 3.93Å; F63-H76 HydrophobicContact CD1-CB 4.13Å; F63-H76 AromaticContact CD1-ND1 3.77Å; F63-H76 HydrophobicContact CD2-CB 4.01Å; F63-H76 AromaticContact CD2-CD2 3.93Å; F63-H76 AromaticContact CD2-CG 3.72Å; F63-H76 AromaticContact CE1-CE1 3.87Å; F63-H76 AromaticContact CE1-ND1 3.49Å; F63-H76 WeakPolarHBondContact CE1-ND1 3.18Å; F63-H76 AromaticContact CE2-CD2 3.8Å; F63-H76 AromaticContact CE2-CE1 3.76Å; F63-H76 AromaticContact CE2-CG 3.82Å; F63-H76 AromaticContact CE2-ND1 3.79Å; F63-H76 AromaticContact CE2-NE2 3.76Å; F63-H76 HydrophobicContact CG-CB 3.76Å; F63-H76 AromaticContact CG-CG 3.83Å; F63-H76 AromaticContact CZ-CE1 3.45Å; F63-H76 VanDerWaalsContact CZ-CE1 3.45Å; F63-H76 WeakPolarHBondContact CZ-CE1 3.48Å; F63-H76 AromaticContact CZ-ND1 3.5Å; F63-H76 AromaticContact CZ-NE2 3.92Å; E65-H76 CarbonylContact O-C 3.54Å; E65-H76 WeakPolarHBondContact O-CA 3.48Å
77	R	73.2	Confident	67.7	Low	148 Å²	148	77 Å²	77	56%	0.558	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	161.5	-179.7	-66.5	-171.3	-158.9	-152.9	9	112.2	A64 E65 E67	A64-R77 PolarHBondContact N-O 3.12Å; E65-R77 HydrophobicContact CB-CB 4.11Å; E65-R77 PolarHBondContact N-O 2.75Å; E65-R77 PolarHBondContact O-N 3.42Å; E67-R77 HydrophobicContact CG-CG 3.99Å; E67-R77 IonicContact OE1-CZ 2.68Å; E67-R77 IonicContact OE1-NE 3.53Å; E67-R77 PolarHBondContact OE1-NE 3.35Å; E67-R77 IonicContact OE1-NH2 3.51Å; E67-R77 PolarHBondContact OE1-NH2 3.37Å
78	G	71.5	Confident	67.1	Low	37 Å²	37	75.6 Å²	75.6	38%	0.381	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	65.7	72.8	176.3	0	0	0	0	0	113.5	F63 A64 T80	F63-G78 CarbonylContact C-O 3.56Å; F63-G78 WeakPolarHBondContact CA-O 3.46Å; A64-G78 WeakPolarHBondContact CB-O 3.27Å; A64-G78 PolarHBondContact N-O 3.12Å; G78-T80 PolarHBondContact O-N 3.37Å; G78-T80 VanDerWaalsContact O-N 3.14Å
79	P	73.2	Confident	66.4	Low	90 Å²	90	78 Å²	78	58%	0.584	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	118.7	174.6	25.9	-33.8	0	0	0	110.5	Q61 F63 G81	Q61-P79 HydrophobicContact CG-CB 4.36Å; F63-P79 HydrophobicContact CD1-CB 4.15Å; F63-P79 HydrophobicContact CE1-CB 3.97Å; P79-G81 PolarHBondContact O-N 3.48Å; P79-G81 VanDerWaalsContact O-N 3.11Å
80	T	70.3	Confident	65.9	Low	58 Å²	58	75.2 Å²	75.2	36%	0.356	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	3.6	-173.5	64.8	0	0	0	0	114.4	L62 A64 G78 N82	L62-T80 WeakPolarHBondContact CB-OG1 3.46Å; L62-T80 WeakPolarHBondContact O-CB 3.36Å; L62-T80 PolarHBondContact O-N 3.46Å; L62-T80 PolarHBondContact O-OG1 3.38Å; A64-T80 HydrophobicContact CB-CG2 4.09Å; G78-T80 PolarHBondContact O-N 3.37Å; G78-T80 VanDerWaalsContact O-N 3.14Å; T80-N82 PolarHBondContact O-N 2.94Å; T80-N82 PolarHBondContact O-ND2 3.24Å; T80-N82 PolarHBondContact OG1-N 3.46Å
81	G	71.3	Confident	65.1	Low	49 Å²	49	70.6 Å²	70.6	51%	0.505	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.9	-15.8	-168.3	0	0	0	0	0	115	N18 P79	N18-G81 PolarHBondContact ND2-O 2.94Å; P79-G81 PolarHBondContact O-N 3.48Å; P79-G81 VanDerWaalsContact O-N 3.11Å
82	N	66.5	Low	63.8	Low	47 Å²	47	72.8 Å²	72.8	25%	0.251	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.3	-178.8	-59.7	-54.1	0	0	0	112.2	N18 Q61 L62 T80	N18-N82 WeakPolarHBondContact CB-OD1 3.42Å; N18-N82 PolarHBondContact ND2-OD1 2.96Å; Q61-N82 PolarHBondContact NE2-O 3.1Å; L62-N82 HydrophobicContact CB-CB 4.38Å; L62-N82 WeakPolarHBondContact CB-O 3.13Å; L62-N82 HydrophobicContact CD1-CB 3.97Å; L62-N82 PolarHBondContact N-O 3.28Å; T80-N82 PolarHBondContact O-N 2.94Å; T80-N82 PolarHBondContact O-ND2 3.24Å; T80-N82 PolarHBondContact OG1-N 3.46Å
83	Q	72.7	Confident	63.5	Low	57 Å²	57	69.2 Å²	69.2	27%	0.266	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.3	173.2	-52.4	-167.7	-9.9	0	0	111.1	L16 Q17 W59 L60	L16-Q83 WeakPolarHBondContact CA-O 3.34Å; Q17-Q83 HydrophobicContact CB-CB 4.05Å; Q17-Q83 PolarHBondContact N-O 3.41Å; W59-Q83 HydrophobicContact CB-CB 4.14Å; W59-Q83 VanDerWaalsContact CB-OE1 3.27Å; W59-Q83 HydrophobicContact CE3-CB 4.02Å; L60-Q83 CarbonylContact O-C 3.57Å; L60-Q83 WeakPolarHBondContact O-CA 3.17Å
84	L	68.4	Low	62.3	Low	25 Å²	25	70.3 Å²	70.3	13%	0.131	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.1	178.7	176.8	69.5	0	0	0	109.5	L14 K15 L16 L60 L62	L14-L84 HydrophobicContact CB-CD1 4.21Å; L14-L84 HydrophobicContact CD2-CD1 4.38Å; K15-L84 WeakPolarHBondContact O-CA 3.38Å; L16-L84 HydrophobicContact CD1-CD1 3.66Å; L60-L84 WeakPolarHBondContact CB-O 3.27Å; L60-L84 PolarHBondContact N-O 3Å; L60-L84 PolarHBondContact O-N 2.73Å; L62-L84 HydrophobicContact CD1-CB 4.32Å; L62-L84 HydrophobicContact CD2-CB 4.09Å; L62-L84 HydrophobicContact CD2-CD2 4.46Å; L62-L84 HydrophobicContact CG-CB 4.17Å
85	L	67.4	Low	61.1	Low	21 Å²	21	68.1 Å²	68.1	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.1	171.8	170.5	65.7	0	0	0	109.6	L14 K15 G57 W59	L14-L85 WeakPolarHBondContact CA-O 3.07Å; K15-L85 HydrophobicContact CB-CB 4.32Å; K15-L85 HydrophobicContact CD-CD2 4.34Å; K15-L85 PolarHBondContact N-O 3.43Å; K15-L85 PolarHBondContact O-N 3.41Å; G57-L85 VanDerWaalsContact C-CD1 3.47Å; W59-L85 HydrophobicContact CD2-CB 3.8Å; W59-L85 HydrophobicContact CD2-CD2 4.35Å; W59-L85 HydrophobicContact CE3-CB 3.44Å; W59-L85 VanDerWaalsContact CE3-CB 3.44Å; W59-L85 HydrophobicContact CH2-CB 4.05Å; W59-L85 HydrophobicContact CH2-CD2 4.08Å; W59-L85 HydrophobicContact CZ2-CB 4.37Å; W59-L85 HydrophobicContact CZ2-CD2 3.82Å; W59-L85 HydrophobicContact CZ3-CB 3.56Å; W59-L85 HydrophobicContact CZ3-CD2 4.44Å
86	A	63.9	Low	59.5	Low	11 Å²	11	76.1 Å²	76.1	9%	0.091	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.5	168.5	0	0	0	0	0	109.5	L14 V54 V88	L14-A86 HydrophobicContact CD2-CB 3.96Å; V54-A86 HydrophobicContact CG1-CB 3.73Å; A86-V88 HydrophobicContact CB-CG2 4.34Å
87	D	65.1	Low	57.8	Low	29 Å²	29	78 Å²	78	16%	0.155	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	97.8	169.1	-179.7	0.3	0	0	0	107.1	T13 R89	T13-D87 PolarHBondContact N-O 3.35Å; T13-D87 PolarHBondContact O-N 2.9Å; D87-R89 WeakPolarHBondContact OD1-CG 3.46Å; D87-R89 IonicContact OD1-CZ 2.73Å; D87-R89 IonicContact OD1-NE 3.85Å; D87-R89 PolarHBondContact OD1-NE 3.43Å; D87-R89 IonicContact OD1-NH2 3.15Å; D87-R89 IonicContact OD2-CZ 3.11Å; D87-R89 IonicContact OD2-NE 3.94Å; D87-R89 PolarHBondContact OD2-NE 3.49Å; D87-R89 IonicContact OD2-NH2 2.69Å; D87-R89 PolarHBondContact OD2-NH2 2.92Å
88	V	58.1	Low	56.4	Low	33 Å²	33	72.6 Å²	72.6	20%	0.2	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.2	178.7	-177.5	0	0	0	0	108.5	T10 Y11 V12 A86 F90	T10-V88 HydrophobicContact CG2-CG1 3.83Å; Y11-V88 WeakPolarHBondContact O-CA 3.24Å; V12-V88 HydrophobicContact CG1-CG2 4.43Å; V12-V88 HydrophobicContact CG2-CG2 4.38Å; A86-V88 HydrophobicContact CB-CG2 4.34Å; V88-F90 HydrophobicContact CG1-CE2 4.14Å; V88-F90 HydrophobicContact CG1-CZ 3.99Å
89	R	54.2	Low	55.1	Low	148 Å²	148	78.8 Å²	78.8	56%	0.558	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.9	-180	-56.7	-175.2	-172.9	-177.1	4.2	109.9	Y11 D87	Y11-R89 PolarHBondContact N-O 3.25Å; Y11-R89 PolarHBondContact O-N 2.93Å; D87-R89 WeakPolarHBondContact OD1-CG 3.46Å; D87-R89 IonicContact OD1-CZ 2.73Å; D87-R89 IonicContact OD1-NE 3.85Å; D87-R89 PolarHBondContact OD1-NE 3.43Å; D87-R89 IonicContact OD1-NH2 3.15Å; D87-R89 IonicContact OD2-CZ 3.11Å; D87-R89 IonicContact OD2-NE 3.94Å; D87-R89 PolarHBondContact OD2-NE 3.49Å; D87-R89 IonicContact OD2-NH2 2.69Å; D87-R89 PolarHBondContact OD2-NH2 2.92Å
90	F	46.6	Very low	54.1	Low	127 Å²	127	78.8 Å²	78.8	56%	0.557	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.7	170.6	-59	-79.5	0	0	0	108	T10 V88	T10-F90 HydrophobicContact CG2-CE1 4.3Å; V88-F90 HydrophobicContact CG1-CE2 4.14Å; V88-F90 HydrophobicContact CG1-CZ 3.99Å
91	E	45.3	Very low	53	Low	69 Å²	69	81.3 Å²	81.3	32%	0.322	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.2	169.2	-165.7	169.3	-125.7	0	0	107.6	H9 Y11 L94	H9-E91 HydrophobicContact CB-CB 4.34Å; H9-E91 PolarHBondContact O-N 3.46Å; Y11-E91 HydrophobicContact CD2-CB 4.21Å; Y11-E91 HydrophobicContact CE2-CB 3.65Å; Y11-E91 HydrophobicContact CE2-CG 4.36Å; Y11-E91 WeakPolarHBondContact CE2-OE2 3.43Å; Y11-E91 VanDerWaalsContact CZ-OE2 3.29Å; Y11-E91 PolarHBondContact OH-OE2 2.85Å; E91-L94 HydrophobicContact CG-CD1 4.13Å; E91-L94 HydrophobicContact CG-CG 4.41Å
92	L	41.2	Very low	51.8	Low	122 Å²	122	84.4 Å²	84.4	64%	0.639	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-57.3	144.3	170	-75	162.4	0	0	0	108.6	M1 L94	M1-L92 HydrophobicContact SD-CD2 4.07Å; L92-L94 PolarHBondContact O-N 3.22Å
93	P	40	Very low	51	Low	71 Å²	71	88.8 Å²	88.8	46%	0.461	44%	0.442	S	S	.	.			trans	-56.6	110.8	178.9	21	-31.5	0	0	0	110.3	G95	P93-G95 PolarHBondContact O-N 2.78Å
94	L	37	Very low	49.8	Very low	121 Å²	121	89.7 Å²	89.7	63%	0.634	45%	0.445	S	S	*	.			trans	-73.8	65.7	177.6	-73.5	168.2	0	0	0	110.4	E91 L92 A98	E91-L94 HydrophobicContact CG-CD1 4.13Å; E91-L94 HydrophobicContact CG-CG 4.41Å; L92-L94 PolarHBondContact O-N 3.22Å; L94-A98 HydrophobicContact CD2-CB 3.69Å
95	G	46.1	Very low	48.6	Very low	41 Å²	41	92.1 Å²	92.1	42%	0.423	46%	0.458	S	S	.	.			trans	-75.6	-175.2	174.6	0	0	0	0	0	112.9	P93 E97 A98	P93-G95 PolarHBondContact O-N 2.78Å; G95-E97 PolarHBondContact O-N 2.71Å; G95-A98 PolarHBondContact O-N 3.06Å
96	K	39.7	Very low	47.5	Very low	185 Å²	185	95.1 Å²	95.1	80%	0.804	47%	0.471	S	S	*	.	H	α-helix	trans	-51	-31.4	178.4	-70.2	179.1	177.6	176.5	0	112.9	A98 K99 I100	K96-A98 VanDerWaalsContact C-N 3.32Å; K96-A98 PolarHBondContact O-N 3.46Å; K96-K99 PolarHBondContact O-N 2.97Å; K96-I100 WeakPolarHBondContact O-CG1 3.38Å; K96-I100 PolarHBondContact O-N 3.28Å
97	E	42.4	Very low	46.8	Very low	150 Å²	150	96.7 Å²	96.7	70%	0.701	48%	0.484	S	S	*	.	H	α-helix	trans	-61.8	-32	178.8	-64.7	177.4	140.6	0	0	113.7	G95 I100 L101	G95-E97 PolarHBondContact O-N 2.71Å; E97-I100 CarbonylContact O-C 3.54Å; E97-I100 PolarHBondContact O-N 3.48Å; E97-L101 WeakPolarHBondContact O-CB 3.4Å; E97-L101 VanDerWaalsContact O-CG 3.32Å; E97-L101 WeakPolarHBondContact O-CG 3.23Å; E97-L101 PolarHBondContact O-N 2.93Å
98	A	43.1	Very low	45.5	Very low	34 Å²	34	101.3 Å²	101.3	28%	0.281	51%	0.508	S	S	.	.	H	α-helix	trans	-68.9	-40.2	177	0	0	0	0	0	111.8	L94 G95 K96 I100 L101 Q102	L94-A98 HydrophobicContact CD2-CB 3.69Å; G95-A98 PolarHBondContact O-N 3.06Å; K96-A98 VanDerWaalsContact C-N 3.32Å; K96-A98 PolarHBondContact O-N 3.46Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-L101 PolarHBondContact O-N 3.45Å; A98-Q102 WeakPolarHBondContact O-CB 3.31Å; A98-Q102 PolarHBondContact O-N 3.42Å
99	K	44.7	Very low	44.6	Very low	167 Å²	167	105 Å²	105	73%	0.726	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-35.3	171.1	-82.3	-172.1	173.2	-175.6	0	112.3	K96 H103	K96-K99 PolarHBondContact O-N 2.97Å; K99-H103 WeakPolarHBondContact O-CB 3.43Å; K99-H103 PolarHBondContact O-N 3.35Å
100	I	53.1	Low	44	Very low	89 Å²	89	105.8 Å²	105.8	46%	0.456	54%	0.537	S	S	.	.	H	α-helix	trans	-67.2	-41.4	174.3	-67.8	163.4	0	0	0	110.7	K96 E97 A98 K104	K96-I100 WeakPolarHBondContact O-CG1 3.38Å; K96-I100 PolarHBondContact O-N 3.28Å; E97-I100 CarbonylContact O-C 3.54Å; E97-I100 PolarHBondContact O-N 3.48Å; A98-I100 VanDerWaalsContact C-N 3.34Å; I100-K104 HydrophobicContact CG2-CD 4.12Å; I100-K104 HydrophobicContact CG2-CG 4.48Å; I100-K104 VanDerWaalsContact O-CB 3.24Å; I100-K104 WeakPolarHBondContact O-CB 3.45Å; I100-K104 VanDerWaalsContact O-CG 3.23Å; I100-K104 WeakPolarHBondContact O-CG 3.45Å; I100-K104 PolarHBondContact O-N 3.47Å
101	L	46.1	Very low	43.4	Very low	111 Å²	111	104.4 Å²	104.4	58%	0.581	53%	0.533	S	S	*	.	H	α-helix	trans	-68.9	-36.9	176	-76.6	166	0	0	0	112	E97 A98 K104 L105	E97-L101 WeakPolarHBondContact O-CB 3.4Å; E97-L101 VanDerWaalsContact O-CG 3.32Å; E97-L101 WeakPolarHBondContact O-CG 3.23Å; E97-L101 PolarHBondContact O-N 2.93Å; A98-L101 PolarHBondContact O-N 3.45Å; L101-K104 PolarHBondContact O-N 2.71Å; L101-L105 VanDerWaalsContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 PolarHBondContact O-N 3.47Å
102	Q	45.3	Very low	42.7	Very low	115 Å²	115	108.7 Å²	108.7	54%	0.537	56%	0.558	S	S	.	*	H	α-helix	trans	-66.5	-49.8	173.2	-175.5	118.4	13.7	0	0	111.3	A98 K104 L105 E106	A98-Q102 WeakPolarHBondContact O-CB 3.31Å; A98-Q102 PolarHBondContact O-N 3.42Å; Q102-K104 VanDerWaalsContact C-N 3.27Å; Q102-K104 PolarHBondContact O-N 3.15Å; Q102-L105 PolarHBondContact O-N 2.94Å; Q102-L105 VanDerWaalsContact O-N 3.07Å; Q102-E106 WeakPolarHBondContact CG-OE1 3.48Å; Q102-E106 PolarHBondContact NE2-OE1 2.94Å; Q102-E106 WeakPolarHBondContact O-CB 3.34Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.18Å
103	H	51.2	Low	42.2	Very low	138 Å²	138	111.3 Å²	111.3	64%	0.639	57%	0.567	S	S	*	*	H	α-helix	trans	-59.1	-37.3	172.8	-100.6	-84.7	0	0	0	112.3	K99 A107	K99-H103 WeakPolarHBondContact O-CB 3.43Å; K99-H103 PolarHBondContact O-N 3.35Å; H103-A107 WeakPolarHBondContact O-CB 3.45Å; H103-A107 PolarHBondContact O-N 3.41Å
104	K	46.8	Very low	41.6	Very low	77 Å²	77	116.2 Å²	116.2	34%	0.335	58%	0.584	S	S	.	*	H	α-helix	trans	-68.8	-35.3	174.2	-79.6	179.8	176.5	-173.1	0	112.2	I100 L101 Q102 L108 Y118	I100-K104 HydrophobicContact CG2-CD 4.12Å; I100-K104 HydrophobicContact CG2-CG 4.48Å; I100-K104 VanDerWaalsContact O-CB 3.24Å; I100-K104 WeakPolarHBondContact O-CB 3.45Å; I100-K104 VanDerWaalsContact O-CG 3.23Å; I100-K104 WeakPolarHBondContact O-CG 3.45Å; I100-K104 PolarHBondContact O-N 3.47Å; L101-K104 PolarHBondContact O-N 2.71Å; Q102-K104 VanDerWaalsContact C-N 3.27Å; Q102-K104 PolarHBondContact O-N 3.15Å; K104-L108 VanDerWaalsContact O-CB 3.24Å; K104-L108 WeakPolarHBondContact O-CB 3.43Å; K104-L108 WeakPolarHBondContact O-CD1 3.32Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 2.93Å; K104-Y118 PolarHBondContact NZ-OH 3.28Å
105	L	42.9	Very low	41.2	Very low	76 Å²	76	116.2 Å²	116.2	40%	0.398	59%	0.585	S	S	.	*	H	α-helix	trans	-73.1	-39.3	177.2	-169.9	68.8	0	0	0	111.4	L101 Q102 L108 N109	L101-L105 VanDerWaalsContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 PolarHBondContact O-N 3.47Å; Q102-L105 PolarHBondContact O-N 2.94Å; Q102-L105 VanDerWaalsContact O-N 3.07Å; L105-L108 PolarHBondContact O-N 2.84Å; L105-N109 WeakPolarHBondContact O-CB 3.36Å; L105-N109 PolarHBondContact O-N 2.68Å; L105-N109 PolarHBondContact O-ND2 3.02Å; L105-N109 VanDerWaalsContact O-ND2 3.17Å
106	E	45	Very low	40.5	Very low	83 Å²	83	118.6 Å²	118.6	39%	0.388	60%	0.595	S	S	.	*	H	α-helix	trans	-66.7	-39.1	173	-72.7	164.3	-170	0	0	111.1	Q102 N109 Q110	Q102-E106 WeakPolarHBondContact CG-OE1 3.48Å; Q102-E106 PolarHBondContact NE2-OE1 2.94Å; Q102-E106 WeakPolarHBondContact O-CB 3.34Å; Q102-E106 WeakPolarHBondContact O-CG 3.41Å; Q102-E106 PolarHBondContact O-N 3.18Å; E106-N109 PolarHBondContact O-N 3.4Å; E106-Q110 VanDerWaalsContact O-CG 3.32Å; E106-Q110 WeakPolarHBondContact O-CG 3.33Å; E106-Q110 PolarHBondContact O-N 3.36Å
107	A	48.1	Very low	39.9	Very low	44 Å²	44	113.7 Å²	113.7	36%	0.364	58%	0.577	S	S	.	*	H	α-helix	trans	-65.6	-44.5	170.4	0	0	0	0	0	112.7	H103 N109 Q110 M111	H103-A107 WeakPolarHBondContact O-CB 3.45Å; H103-A107 PolarHBondContact O-N 3.41Å; A107-N109 PolarHBondContact O-N 2.91Å; A107-Q110 PolarHBondContact O-N 2.97Å; A107-M111 WeakPolarHBondContact O-CG 3.28Å; A107-M111 PolarHBondContact O-N 3.39Å
108	L	38.9	Very low	39.3	Very low	126 Å²	126	114.7 Å²	114.7	66%	0.66	58%	0.576	S	S	*	*	H	α-helix	trans	-62.9	-26.7	176.6	-79.1	165.2	0	0	0	113.2	K104 L105	K104-L108 VanDerWaalsContact O-CB 3.24Å; K104-L108 WeakPolarHBondContact O-CB 3.43Å; K104-L108 WeakPolarHBondContact O-CD1 3.32Å; K104-L108 WeakPolarHBondContact O-CG 3.45Å; K104-L108 PolarHBondContact O-N 2.93Å; L105-L108 PolarHBondContact O-N 2.84Å
109	N	38.7	Very low	38.5	Very low	110 Å²	110	117.3 Å²	117.3	59%	0.588	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-7.5	175.3	-70.7	-26.6	0	0	0	113.7	L105 E106 A107	L105-N109 WeakPolarHBondContact O-CB 3.36Å; L105-N109 PolarHBondContact O-N 2.68Å; L105-N109 PolarHBondContact O-ND2 3.02Å; L105-N109 VanDerWaalsContact O-ND2 3.17Å; E106-N109 PolarHBondContact O-N 3.4Å; A107-N109 PolarHBondContact O-N 2.91Å
110	Q	41.6	Very low	37.8	Very low	166 Å²	166	113.6 Å²	113.6	78%	0.776	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	-0.7	-179.9	-74.5	180	4.3	0	0	113.5	E106 A107	E106-Q110 VanDerWaalsContact O-CG 3.32Å; E106-Q110 WeakPolarHBondContact O-CG 3.33Å; E106-Q110 PolarHBondContact O-N 3.36Å; A107-Q110 PolarHBondContact O-N 2.97Å
111	M	33.1	Very low	36.5	Very low	98 Å²	98	115.4 Å²	115.4	48%	0.483	59%	0.594	S	S	.	*			trans	-102.4	77.2	-178.8	-71.3	-179	62.4	0	0	111.9	A107 S116	A107-M111 WeakPolarHBondContact O-CG 3.28Å; A107-M111 PolarHBondContact O-N 3.39Å; M111-S116 VanDerWaalsContact CE-OG 3.31Å; M111-S116 WeakPolarHBondContact CE-OG 3.2Å
112	D	32.3	Very low	35.6	Very low	158 Å²	158	116.8 Å²	116.8	85%	0.845	60%	0.601	S	S	*	*			trans	-67.4	134.6	148.9	-88	-41.9	0	0	0	108.8
113	E	30.2	Very low	34.6	Very low	178 Å²	178	116 Å²	116	83%	0.832	61%	0.607	S	S	*	*	S	Bend	trans	58.6	138.9	171.8	-53.5	-167.5	136.4	0	0	117.4
114	E	28.1	Very low	33.4	Very low	174 Å²	174	117.8 Å²	117.8	81%	0.813	61%	0.614	S	S	*	*	S	Bend	trans	72.9	119.1	169.8	-47.6	-167.9	150.5	0	0	118.8
115	D	27.7	Very low	32.3	Very low	121 Å²	121	119 Å²	119	65%	0.647	63%	0.63	S	S	*	*			trans	32.8	105.8	155.7	-58.3	-18.6	0	0	0	121.6	K452	D115-K452 WeakPolarHBondContact OD1-CE 3.49Å; D115-K452 IonicContact OD1-NZ 2.65Å
116	S	31.8	Very low	31.5	Very low	91 Å²	91	120.8 Å²	120.8	64%	0.636	64%	0.644	S	S	*	*			trans	176.8	-179.6	133.4	52.6	0	0	0	0	113.5	M111	M111-S116 VanDerWaalsContact CE-OG 3.31Å; M111-S116 WeakPolarHBondContact CE-OG 3.2Å
117	D	27.2	Very low	30.5	Very low	82 Å²	82	125.1 Å²	125.1	44%	0.439	66%	0.663	S	S	.	*				-179.4	67.2	-64.3	-115.2	23.9	0	0	0	111.3	K453	D117-K453 HydrophobicContact CB-CD 3.94Å; D117-K453 VanDerWaalsContact CG-CE 3.44Å; D117-K453 PolarHBondContact O-NZ 3.09Å; D117-K453 WeakPolarHBondContact OD1-CB 3.46Å; D117-K453 WeakPolarHBondContact OD1-CD 3.36Å; D117-K453 WeakPolarHBondContact OD1-CG 3.41Å; D117-K453 IonicContact OD1-NZ 2.61Å; D117-K453 WeakPolarHBondContact OD2-CE 3.39Å; D117-K453 IonicContact OD2-NZ 2.64Å; D117-K453 PolarHBondContact OD2-NZ 3.47Å
118	Y	29.9	Very low	29.3	Very low	171 Å²	171	131.1 Å²	131.1	67%	0.671	68%	0.683	S	S	*	*			trans	-139.2	141.5	176.6	-128.7	-100.3	0	0	0	115.3	K104	K104-Y118 PolarHBondContact NZ-OH 3.28Å
119	T	25.8	Very low	28.7	Very low	89 Å²	89	132.7 Å²	132.7	55%	0.546	69%	0.693	S	S	.	*			trans	-116.2	144.9	-179.9	52.1	0	0	0	0	109.4	T454	T119-T454 HydrophobicContact CG2-CG2 4.15Å
120	S	29.7	Very low	27.9	Very low	89 Å²	89	135 Å²	135	62%	0.622	71%	0.705	S	S	*	*			trans	177.2	123.8	141.4	48.3	0	0	0	0	113.5
121	D	26.1	Very low	27.1	Very low	126 Å²	126	132.6 Å²	132.6	67%	0.674	71%	0.706	S	S	*	*				56.7	90.9	123.8	-41.7	-26.3	0	0	0	119.6
122	I	27.5	Very low	26.7	Very low	141 Å²	141	132.8 Å²	132.8	72%	0.723	72%	0.718	S	S	*	*			trans	-131.6	69.6	143.8	-55.4	-175.5	0	0	0	109.8	F124	I122-F124 HydrophobicContact CG2-CD2 3.32Å; I122-F124 HydrophobicContact CG2-CE2 3.36Å; I122-F124 HydrophobicContact CG2-CG 4.17Å; I122-F124 HydrophobicContact CG2-CZ 4.23Å
123	S	24.5	Very low	26.4	Very low	97 Å²	97	130.5 Å²	130.5	68%	0.678	72%	0.721	S	S	*	*			trans	-97.3	83.1	158.8	47.6	0	0	0	0	108.5	P125	S123-P125 WeakPolarHBondContact O-CD 3.19Å
124	F	25.7	Very low	26.2	Very low	176 Å²	176	130.7 Å²	130.7	77%	0.772	72%	0.721	S	S	*	*			trans	-74	124.4	178.7	-82.4	-53.5	0	0	0	111.2	I122	I122-F124 HydrophobicContact CG2-CD2 3.32Å; I122-F124 HydrophobicContact CG2-CE2 3.36Å; I122-F124 HydrophobicContact CG2-CG 4.17Å; I122-F124 HydrophobicContact CG2-CZ 4.23Å
125	P	24.5	Very low	26	Very low	103 Å²	103	129.5 Å²	129.5	67%	0.669	72%	0.716	S	S	*	*			trans	-66.1	142.6	-176.7	-20.8	32.5	0	0	0	113.3	S123 H127	S123-P125 WeakPolarHBondContact O-CD 3.19Å; P125-H127 PolarHBondContact O-N 2.75Å; P125-H127 VanDerWaalsContact O-N 3.11Å
126	V	24.1	Very low	26	Very low	114 Å²	114	135.6 Å²	135.6	69%	0.691	73%	0.731	S	S	*	*			trans	-74.4	95.2	165.7	-179.3	0	0	0	0	108.5
127	H	24.8	Very low	25.7	Very low	173 Å²	173	138 Å²	138	80%	0.801	74%	0.737	S	S	*	*			trans	-138.1	135.5	165.4	-90	-69.3	0	0	0	112.3	P125	P125-H127 PolarHBondContact O-N 2.75Å; P125-H127 VanDerWaalsContact O-N 3.11Å
128	H	23.9	Very low	25.6	Very low	170 Å²	170	138.5 Å²	138.5	79%	0.787	75%	0.747	S	S	*	*			trans	-59.1	140.4	-178.4	-66	-103.7	0	0	0	113.1
129	N	24.9	Very low	25.6	Very low	160 Å²	160	138.6 Å²	138.6	86%	0.856	75%	0.753	S	S	*	*				-173.4	150.1	110.7	-95.8	-33	0	0	0	114.1
130	N	22.3	Very low	25.8	Very low	159 Å²	159	142.4 Å²	142.4	85%	0.85	77%	0.769	S	S	*	*			trans	-72.4	133.5	-176.3	-65.3	-36.9	0	0	0	113.5
131	S	25.3	Very low	25.8	Very low	114 Å²	114	147.4 Å²	147.4	80%	0.797	78%	0.775	S	S	*	*			trans	-166.9	119.3	139.1	-95	0	0	0	0	114.4
132	S	24.8	Very low	25.9	Very low	103 Å²	103	146.8 Å²	146.8	72%	0.72	78%	0.78	S	S	*	*			trans	19.5	109.5	152.3	58.5	0	0	0	0	119.7
133	A	25.8	Very low	25.9	Very low	110 Å²	110	150.2 Å²	150.2	91%	0.909	79%	0.785	S	S	*	*			trans	-99.4	87.4	161.8	0	0	0	0	0	110.8
134	H	25.1	Very low	26.1	Very low	182 Å²	182	156.1 Å²	156.1	84%	0.843	79%	0.794	S	S	*	*			trans	-123.6	82.4	171.4	-114.2	-67.4	0	0	0	108.8
135	Q	25.5	Very low	26.1	Very low	149 Å²	149	157.9 Å²	157.9	70%	0.696	80%	0.802	S	S	*	*			trans	171.8	102.4	163.6	-103.2	166.8	10	0	0	108.7
136	Y	26.1	Very low	26.2	Very low	248 Å²	248	156.6 Å²	156.6	97%	0.973	81%	0.807	S	S	*	*			trans	-175.4	71.5	152	-99.1	-63.3	0	0	0	109.3
137	D	25.5	Very low	26.4	Very low	141 Å²	141	163.3 Å²	163.3	75%	0.754	82%	0.82	S	S	*	*			trans	-139.5	120.8	161.9	-177.9	21.9	0	0	0	108.5
138	S	26.9	Very low	26.4	Very low	93 Å²	93	159 Å²	159	65%	0.65	82%	0.822	S	S	*	*	S	Bend	trans	175.2	-21.2	169.8	54.3	0	0	0	0	115.1
139	H	29.5	Very low	26.5	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.806	83%	0.828	S	S	*	*	S	Bend	trans	-111.2	1.3	-161.7	-90.7	-71	0	0	0	118.9
140	L	30.5	Very low	26.7	Very low	169 Å²	169	151.2 Å²	151.2	89%	0.885	83%	0.826	S	S	*	*	S	Bend	trans	-110.1	-4.6	-177.2	-96.5	123.8	0	0	0	116.9	S142	L140-S142 PolarHBondContact O-N 3.45Å
141	R	28.1	Very low	26.9	Very low	194 Å²	194	152.2 Å²	152.2	73%	0.732	83%	0.825	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	4.4	-178.2	-83.5	-171.5	178.4	-153	1.2	116.3
142	S	29.9	Very low	26.9	Very low	113 Å²	113	153.9 Å²	153.9	79%	0.79	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-11.5	-168.5	-151	0	0	0	0	116.3	L140	L140-S142 PolarHBondContact O-N 3.45Å
143	Y	26.8	Very low	27.1	Very low	212 Å²	212	154.8 Å²	154.8	83%	0.831	83%	0.832	S	S	*	*	S	Bend	trans	-107.3	4.1	-165.1	-105.9	-86.5	0	0	0	117.1
144	Y	27.8	Very low	27.1	Very low	222 Å²	222	159.5 Å²	159.5	87%	0.871	84%	0.835	S	S	*	*	S	Bend	trans	-129.2	46.9	-175.2	-76.6	-78.4	0	0	0	114.6
145	K	25.9	Very low	27.2	Very low	213 Å²	213	153.7 Å²	153.7	93%	0.926	83%	0.825	S	S	*	*			trans	-140.4	111.2	163.5	-90.4	-171.5	173.8	-178	0	110.1
146	G	27.3	Very low	27.4	Very low	75 Å²	75	152.6 Å²	152.6	77%	0.773	83%	0.83	S	S	*	*			trans	179.7	66.3	-178.9	0	0	0	0	0	117.9
147	R	28	Very low	27.4	Very low	255 Å²	255	145.9 Å²	145.9	96%	0.962	82%	0.82	S	S	*	*			trans	63.1	132.2	162.2	-70.1	179.3	168	165.9	-3.9	118.4
148	G	25.1	Very low	27.7	Very low	83 Å²	83	144.8 Å²	144.8	86%	0.856	81%	0.814	S	S	*	*			trans	-104.8	-175.6	166.6	0	0	0	0	0	112.7
149	G	25.7	Very low	27.9	Very low	88 Å²	88	143.6 Å²	143.6	91%	0.907	82%	0.816	S	S	*	*			trans	120.6	114.6	176.2	0	0	0	0	0	112.2
150	G	28.2	Very low	27.9	Very low	79 Å²	79	140.9 Å²	140.9	81%	0.814	81%	0.812	S	S	*	*			trans	139.5	111.6	176	0	0	0	0	0	113
151	E	27.1	Very low	27.9	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	80%	0.795	S	S	*	*			trans	-65.6	157.1	-175.1	-66.8	142.2	150	0	0	115.7
152	D	26	Very low	28	Very low	150 Å²	150	132.4 Å²	132.4	80%	0.802	78%	0.776	S	S	*	*			trans	46.4	101.6	141.6	-55.3	-12.4	0	0	0	120.8
153	S	28.9	Very low	28	Very low	122 Å²	122	130.2 Å²	130.2	85%	0.853	76%	0.76	S	S	*	*				-171.7	133.6	129.2	21.6	0	0	0	0	112.5
154	E	25.5	Very low	28.1	Very low	208 Å²	208	123.8 Å²	123.8	97%	0.972	74%	0.743	S	S	*	*			trans	-72.6	133.4	174	-62.2	179.3	128.1	0	0	111.2
155	G	26.7	Very low	28.3	Very low	61 Å²	61	118.6 Å²	118.6	63%	0.629	72%	0.722	S	S	*	*			trans	-161.9	137.6	176.3	0	0	0	0	0	112.3	S157	G155-S157 PolarHBondContact O-N 3.36Å
156	P	29.3	Very low	28.6	Very low	125 Å²	125	109.3 Å²	109.3	81%	0.812	68%	0.682	S	S	*	*			trans	-79.7	113.5	-165.1	30.2	-35	0	0	0	113.3	N158	P156-N158 VanDerWaalsContact C-N 3.27Å; P156-N158 PolarHBondContact O-N 3.08Å
157	S	27.2	Very low	28.8	Very low	108 Å²	108	108.1 Å²	108.1	76%	0.755	66%	0.66	S	S	*	*			trans	-82.6	44	-176.6	62.5	0	0	0	0	115	G155	G155-S157 PolarHBondContact O-N 3.36Å
158	N	32.1	Very low	28.8	Very low	118 Å²	118	97.4 Å²	97.4	63%	0.631	63%	0.626	S	S	*	*			trans	-92.2	-10.4	-176.1	-73.6	4.6	0	0	0	114.9	P156	P156-N158 VanDerWaalsContact C-N 3.27Å; P156-N158 PolarHBondContact O-N 3.08Å
159	G	29.8	Very low	29.1	Very low	67 Å²	67	96.4 Å²	96.4	69%	0.691	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-19.2	-169.6	0	0	0	0	0	117.3
160	V	29.6	Very low	29.2	Very low	118 Å²	118	94.1 Å²	94.1	72%	0.715	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.7	-29	-167.6	-174.4	0	0	0	0	113.4
161	E	30.8	Very low	29.1	Very low	113 Å²	113	92.9 Å²	92.9	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-36.2	179.2	-86.2	-151	92.6	0	0	113.7	S163 V164 R165	E161-S163 VanDerWaalsContact C-N 3.34Å; E161-S163 PolarHBondContact O-N 2.76Å; E161-V164 PolarHBondContact O-N 3.2Å; E161-R165 WeakPolarHBondContact O-CG 3.46Å; E161-R165 PolarHBondContact O-N 2.99Å; E161-R165 IonicContact OE1-CZ 2.72Å; E161-R165 IonicContact OE1-NE 2.63Å; E161-R165 IonicContact OE1-NH2 3.81Å; E161-R165 PolarHBondContact OE1-NH2 3.25Å; E161-R165 IonicContact OE2-NH2 3.82Å; E161-R165 PolarHBondContact OE2-NH2 3.31Å
162	Q	30.3	Very low	29	Very low	72 Å²	72	87.4 Å²	87.4	34%	0.336	53%	0.533	S	S	.	.	H	α-helix	trans	-63.4	-38.2	-177.4	-65.1	-175.6	-5.8	0	0	112.7	V164 R165 L166 E474	Q162-V164 VanDerWaalsContact C-N 3.31Å; Q162-V164 PolarHBondContact O-N 3.04Å; Q162-R165 PolarHBondContact O-N 2.89Å; Q162-L166 PolarHBondContact O-N 3.23Å; Q162-E474 PolarHBondContact NE2-OE1 2.96Å; Q162-E474 PolarHBondContact NE2-OE2 3.12Å
163	S	29	Very low	29.1	Very low	67 Å²	67	84.4 Å²	84.4	47%	0.469	52%	0.523	S	S	.	.	H	α-helix	trans	-56.9	-41.4	177.6	173.4	0	0	0	0	112.8	E161 T167	E161-S163 VanDerWaalsContact C-N 3.34Å; E161-S163 PolarHBondContact O-N 2.76Å; S163-T167 PolarHBondContact O-OG1 2.84Å
164	V	29.3	Very low	29	Very low	77 Å²	77	83.6 Å²	83.6	47%	0.467	52%	0.516	S	S	.	.	H	α-helix	trans	-77.1	-32	-177.4	-176.9	0	0	0	0	111.5	E161 Q162	E161-V164 PolarHBondContact O-N 3.2Å; Q162-V164 VanDerWaalsContact C-N 3.31Å; Q162-V164 PolarHBondContact O-N 3.04Å
165	R	33.1	Very low	28.9	Very low	113 Å²	113	78.1 Å²	78.1	43%	0.426	52%	0.515	S	S	.	.	H	α-helix	trans	-76.8	-39.6	-176.3	-64.4	-177.1	-173	-175.4	5.9	113.6	E161 Q162 F473	E161-R165 WeakPolarHBondContact O-CG 3.46Å; E161-R165 PolarHBondContact O-N 2.99Å; E161-R165 IonicContact OE1-CZ 2.72Å; E161-R165 IonicContact OE1-NE 2.63Å; E161-R165 IonicContact OE1-NH2 3.81Å; E161-R165 PolarHBondContact OE1-NH2 3.25Å; E161-R165 IonicContact OE2-NH2 3.82Å; E161-R165 PolarHBondContact OE2-NH2 3.31Å; Q162-R165 PolarHBondContact O-N 2.89Å; R165-F473 HydrophobicContact CB-CE1 3.85Å
166	L	32.3	Very low	29	Very low	18 Å²	18	81.3 Å²	81.3	9%	0.094	52%	0.517	C	S	.	.	H	α-helix	trans	-71.6	-29.1	176.2	-91.4	90.5	0	0	0	113.2	Q162 A168 V169 L302 V306 F473	Q162-L166 PolarHBondContact O-N 3.23Å; L166-A168 PolarHBondContact O-N 3.1Å; L166-V169 PolarHBondContact O-N 3.25Å; L166-L302 HydrophobicContact CD2-CD1 4.46Å; L166-L302 HydrophobicContact CD2-CD2 4.21Å; L166-L302 HydrophobicContact CD2-CG 4.27Å; L166-V306 HydrophobicContact CB-CB 4.3Å; L166-V306 HydrophobicContact CB-CG1 3.78Å; L166-V306 HydrophobicContact CB-CG2 3.48Å; L166-V306 VanDerWaalsContact CB-CG2 3.48Å; L166-V306 HydrophobicContact CD2-CG2 3.86Å; L166-V306 HydrophobicContact CG-CG2 4.21Å; L166-F473 HydrophobicContact CD1-CD1 3.52Å; L166-F473 HydrophobicContact CD1-CE1 3.56Å; L166-F473 HydrophobicContact CD1-CG 4.16Å; L166-F473 HydrophobicContact CD1-CZ 4.25Å; L166-F473 HydrophobicContact CG-CD1 4.31Å; L166-F473 HydrophobicContact CG-CE1 3.97Å; L166-F473 HydrophobicContact CG-CZ 4.18Å
167	T	30.8	Very low	28.8	Very low	50 Å²	50	80 Å²	80	31%	0.307	52%	0.516	S	S	.	.	H	α-helix	trans	-64.7	-29.3	179.5	-55.9	0	0	0	0	112.6	S163 C170 S171	S163-T167 PolarHBondContact O-OG1 2.84Å; T167-C170 PolarHBondContact O-N 3.23Å; T167-S171 WeakPolarHBondContact O-CB 3.24Å; T167-S171 PolarHBondContact O-N 2.96Å; T167-S171 PolarHBondContact O-OG 2.63Å
168	A	28.5	Very low	28.7	Very low	29 Å²	29	81.1 Å²	81.1	24%	0.24	51%	0.508	C	S	.	.	H	α-helix	trans	-68.9	-34.6	180	0	0	0	0	0	113.1	L166 C170 S171 C502	L166-A168 PolarHBondContact O-N 3.1Å; A168-C170 PolarHBondContact O-N 2.83Å; A168-S171 PolarHBondContact O-N 3.1Å; A168-C502 HydrophobicContact CB-CB 3.83Å; A168-C502 VanDerWaalsContact CB-SG 3.59Å
169	V	30.8	Very low	28.4	Very low	62 Å²	62	78.2 Å²	78.2	38%	0.376	50%	0.497	S	S	.	.	H	α-helix	trans	-62.7	-26.5	178.6	-177.1	0	0	0	0	112	L166 F473 V481	L166-V169 PolarHBondContact O-N 3.25Å; V169-F473 HydrophobicContact CG2-CE2 4.21Å; V169-F473 HydrophobicContact CG2-CZ 3.78Å; V169-V481 HydrophobicContact CG1-CG1 4.5Å
170	C	28.5	Very low	28	Very low	41 Å²	41	80.2 Å²	80.2	28%	0.277	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-2.4	-178.9	-162.8	0	0	0	0	114.7	T167 A168 F307	T167-C170 PolarHBondContact O-N 3.23Å; A168-C170 PolarHBondContact O-N 2.83Å; C170-F307 HydrophobicContact CB-CE1 4.33Å; C170-F307 HydrophobicContact CB-CZ 4.07Å; C170-F307 WeakPolarHBondContact SG-CE1 3.33Å; C170-F307 VanDerWaalsContact SG-CZ 3.57Å
171	S	26.4	Very low	27.9	Very low	53 Å²	53	79.2 Å²	79.2	37%	0.371	49%	0.487	S	S	.	.			trans	-131	27.9	-165.3	-51.1	0	0	0	0	114.9	T167 A168 S173	T167-S171 WeakPolarHBondContact O-CB 3.24Å; T167-S171 PolarHBondContact O-N 2.96Å; T167-S171 PolarHBondContact O-OG 2.63Å; A168-S171 PolarHBondContact O-N 3.1Å; S171-S173 VanDerWaalsContact C-N 3.31Å; S171-S173 PolarHBondContact O-N 2.74Å
172	C	24.4	Very low	27.6	Very low	64 Å²	64	76 Å²	76	43%	0.432	48%	0.48	S	S	.	.			trans	-75.7	80.4	175.9	-159.1	0	0	0	0	111.5	R551	C172-R551 PolarHBondContact SG-NH2 2.9Å
173	S	28.5	Very low	27.3	Very low	86 Å²	86	74.6 Å²	74.6	60%	0.601	48%	0.478	S	S	*	.			trans	-138.6	127.3	166	-73.2	0	0	0	0	109.3	S171	S171-S173 VanDerWaalsContact C-N 3.31Å; S171-S173 PolarHBondContact O-N 2.74Å
174	C	25.9	Very low	27	Very low	105 Å²	105	78.1 Å²	78.1	71%	0.709	49%	0.485	S	S	*	.			trans	-42.6	147.5	-166.9	-55.2	0	0	0	0	115.8	I176	C174-I176 HydrophobicContact CB-CD1 4.36Å; C174-I176 HydrophobicContact CB-CG1 4.21Å; C174-I176 PolarHBondContact O-N 3.31Å
175	G	24.6	Very low	27	Very low	93 Å²	93	78 Å²	78	96%	0.959	48%	0.484	S	S	*	.			trans	-64.5	77.5	170.9	0	0	0	0	0	112.9
176	I	27.8	Very low	27	Very low	129 Å²	129	75 Å²	75	66%	0.662	48%	0.477	S	S	*	.			trans	-108.2	134.2	170.4	-59.7	174.8	0	0	0	106.4	C174 F178	C174-I176 HydrophobicContact CB-CD1 4.36Å; C174-I176 HydrophobicContact CB-CG1 4.21Å; C174-I176 PolarHBondContact O-N 3.31Å; I176-F178 PolarHBondContact O-N 3.36Å
177	A	24.3	Very low	27.2	Very low	96 Å²	96	79.1 Å²	79.1	79%	0.793	50%	0.498	S	S	*	.			trans	-53.1	126.5	177.5	0	0	0	0	0	110.7	S179	A177-S179 PolarHBondContact O-N 3.37Å; A177-S179 VanDerWaalsContact O-N 3.1Å
178	F	26.3	Very low	27.5	Very low	132 Å²	132	79.6 Å²	79.6	58%	0.579	51%	0.507	S	S	*	.			trans	-71.1	107.8	-167.1	-89.4	-89.2	0	0	0	112.9	I176 A182 S183 L186	I176-F178 PolarHBondContact O-N 3.36Å; F178-A182 HydrophobicContact CD1-CB 4.15Å; F178-A182 HydrophobicContact CE1-CB 4.47Å; F178-S183 VanDerWaalsContact CD1-OG 3.31Å; F178-S183 WeakPolarHBondContact CD1-OG 3.39Å; F178-L186 HydrophobicContact CE1-CD1 3.55Å; F178-L186 HydrophobicContact CZ-CD1 3.74Å
179	S	24.6	Very low	28.8	Very low	58 Å²	58	84.3 Å²	84.3	41%	0.406	52%	0.522	S	S	.	.			trans	-67.9	144.3	153.6	167.2	0	0	0	0	109.7	A177 I181 A182 S183	A177-S179 PolarHBondContact O-N 3.37Å; A177-S179 VanDerWaalsContact O-N 3.1Å; S179-I181 PolarHBondContact O-N 3.17Å; S179-I181 VanDerWaalsContact O-N 3.09Å; S179-I181 PolarHBondContact OG-N 2.93Å; S179-A182 WeakPolarHBondContact O-CB 3.48Å; S179-A182 PolarHBondContact O-N 3.48Å; S179-S183 PolarHBondContact O-N 3.22Å
180	P	23.1	Very low	30.4	Very low	109 Å²	109	84.3 Å²	84.3	71%	0.708	52%	0.517	S	S	*	.	H	α-helix	trans	-52.8	-32.9	176.5	-26.9	34.8	0	0	0	113.8	S183 F184	P180-S183 WeakPolarHBondContact O-CB 3.48Å; P180-S183 PolarHBondContact O-N 3.43Å; P180-F184 PolarHBondContact O-N 3.1Å; P180-F184 VanDerWaalsContact O-N 3.14Å
181	I	26	Very low	32.3	Very low	97 Å²	97	84.2 Å²	84.2	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-67.4	-37.3	179.6	-58.6	171.8	0	0	0	111	S179 S183 F184 V185	S179-I181 PolarHBondContact O-N 3.17Å; S179-I181 VanDerWaalsContact O-N 3.09Å; S179-I181 PolarHBondContact OG-N 2.93Å; I181-S183 VanDerWaalsContact C-N 3.34Å; I181-F184 PolarHBondContact O-N 3.36Å; I181-V185 PolarHBondContact O-N 3.08Å; I181-V185 VanDerWaalsContact O-N 3.12Å
182	A	25.2	Very low	34.2	Very low	45 Å²	45	86.1 Å²	86.1	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-39	176.7	0	0	0	0	0	111.4	F178 S179 L186	F178-A182 HydrophobicContact CD1-CB 4.15Å; F178-A182 HydrophobicContact CE1-CB 4.47Å; S179-A182 WeakPolarHBondContact O-CB 3.48Å; S179-A182 PolarHBondContact O-N 3.48Å; A182-L186 WeakPolarHBondContact O-CB 3.3Å; A182-L186 PolarHBondContact O-N 3.26Å
183	S	24.4	Very low	36.4	Very low	43 Å²	43	84.8 Å²	84.8	30%	0.301	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-43.8	173.1	-58.9	0	0	0	0	111.9	F178 S179 P180 I181 L186 I187	F178-S183 VanDerWaalsContact CD1-OG 3.31Å; F178-S183 WeakPolarHBondContact CD1-OG 3.39Å; S179-S183 PolarHBondContact O-N 3.22Å; P180-S183 WeakPolarHBondContact O-CB 3.48Å; P180-S183 PolarHBondContact O-N 3.43Å; I181-S183 VanDerWaalsContact C-N 3.34Å; S183-L186 PolarHBondContact O-N 3.03Å; S183-I187 WeakPolarHBondContact O-CD1 3.46Å; S183-I187 VanDerWaalsContact O-CG1 3.25Å; S183-I187 WeakPolarHBondContact O-CG1 3.34Å; S183-I187 PolarHBondContact O-N 3.01Å
184	F	23	Very low	38.8	Very low	140 Å²	140	80.7 Å²	80.7	61%	0.614	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-41.5	-178.5	-141.8	-89.9	0	0	0	112.6	P180 I181 L186 I187 A188	P180-F184 PolarHBondContact O-N 3.1Å; P180-F184 VanDerWaalsContact O-N 3.14Å; I181-F184 PolarHBondContact O-N 3.36Å; F184-L186 VanDerWaalsContact C-N 3.33Å; F184-L186 PolarHBondContact O-N 3.34Å; F184-I187 PolarHBondContact O-N 3.41Å; F184-A188 WeakPolarHBondContact O-CB 3.3Å; F184-A188 PolarHBondContact O-N 2.83Å
185	V	28.4	Very low	41.4	Very low	74 Å²	74	80.8 Å²	80.8	45%	0.448	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-37.7	173.8	174.7	0	0	0	0	111.6	I181 K189	I181-V185 PolarHBondContact O-N 3.08Å; I181-V185 VanDerWaalsContact O-N 3.12Å; V185-K189 HydrophobicContact CG1-CD 4.14Å; V185-K189 WeakPolarHBondContact O-CB 3.47Å; V185-K189 VanDerWaalsContact O-CG 3.31Å; V185-K189 WeakPolarHBondContact O-CG 3.5Å; V185-K189 PolarHBondContact O-N 2.6Å
186	L	33.9	Very low	44	Very low	52 Å²	52	79 Å²	79	27%	0.272	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-42.6	173	-104.2	148.9	0	0	0	112.1	F178 A182 S183 F184 K189 K190	F178-L186 HydrophobicContact CE1-CD1 3.55Å; F178-L186 HydrophobicContact CZ-CD1 3.74Å; A182-L186 WeakPolarHBondContact O-CB 3.3Å; A182-L186 PolarHBondContact O-N 3.26Å; S183-L186 PolarHBondContact O-N 3.03Å; F184-L186 VanDerWaalsContact C-N 3.33Å; F184-L186 PolarHBondContact O-N 3.34Å; L186-K189 PolarHBondContact O-N 2.8Å; L186-K190 WeakPolarHBondContact O-CB 3.47Å; L186-K190 PolarHBondContact O-N 3.32Å
187	I	35	Very low	46.5	Very low	103 Å²	103	73.1 Å²	73.1	53%	0.528	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-46.9	177.4	-69	160.9	0	0	0	111.2	S183 F184 K189 K190 M191	S183-I187 WeakPolarHBondContact O-CD1 3.46Å; S183-I187 VanDerWaalsContact O-CG1 3.25Å; S183-I187 WeakPolarHBondContact O-CG1 3.34Å; S183-I187 PolarHBondContact O-N 3.01Å; F184-I187 PolarHBondContact O-N 3.41Å; I187-K189 PolarHBondContact O-N 3.44Å; I187-K190 WeakPolarHBondContact O-CB 3.33Å; I187-K190 PolarHBondContact O-N 3.31Å; I187-M191 PolarHBondContact O-N 2.86Å
188	A	38.5	Very low	49.5	Very low	61 Å²	61	68.6 Å²	68.6	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-62.4	-42.5	178.4	0	0	0	0	0	112.1	F184 R192	F184-A188 WeakPolarHBondContact O-CB 3.3Å; F184-A188 PolarHBondContact O-N 2.83Å; A188-R192 WeakPolarHBondContact O-CB 3.36Å; A188-R192 PolarHBondContact O-N 2.77Å
189	K	55.9	Low	52.4	Low	128 Å²	128	64 Å²	64	56%	0.557	34%	0.338	S	S	*	.	H	α-helix	trans	-64.7	-43.9	172.7	-73.3	178.1	178.8	-178.2	0	111.7	V185 L186 I187 R192 V193	V185-K189 HydrophobicContact CG1-CD 4.14Å; V185-K189 WeakPolarHBondContact O-CB 3.47Å; V185-K189 VanDerWaalsContact O-CG 3.31Å; V185-K189 WeakPolarHBondContact O-CG 3.5Å; V185-K189 PolarHBondContact O-N 2.6Å; L186-K189 PolarHBondContact O-N 2.8Å; I187-K189 PolarHBondContact O-N 3.44Å; K189-R192 WeakPolarHBondContact O-CB 3.49Å; K189-R192 PolarHBondContact O-N 2.82Å; K189-V193 WeakPolarHBondContact O-CG2 3.43Å; K189-V193 PolarHBondContact O-N 2.82Å
190	K	63.7	Low	55.1	Low	62 Å²	62	61.2 Å²	61.2	27%	0.27	32%	0.318	S	S	.	.	H	α-helix	trans	-57.6	-50.6	178.3	-176	177.9	-169.8	-164.6	0	111.5	L186 I187 R192 V193 Y194 F307	L186-K190 WeakPolarHBondContact O-CB 3.47Å; L186-K190 PolarHBondContact O-N 3.32Å; I187-K190 WeakPolarHBondContact O-CB 3.33Å; I187-K190 PolarHBondContact O-N 3.31Å; K190-R192 VanDerWaalsContact C-N 3.27Å; K190-R192 PolarHBondContact O-N 3.18Å; K190-V193 PolarHBondContact O-N 3.47Å; K190-Y194 VanDerWaalsContact O-CB 3.31Å; K190-Y194 WeakPolarHBondContact O-CB 3.13Å; K190-Y194 PolarHBondContact O-N 3.15Å; K190-F307 WeakPolarHBondContact CE-O 3.46Å; K190-F307 HydrophobicContact CG-CD1 3.61Å; K190-F307 HydrophobicContact CG-CE1 4.13Å; K190-F307 PolarHBondContact NZ-O 3.27Å; K190-F307 WeakPolarHBondContact O-CD1 3.28Å; K190-F307 WeakPolarHBondContact O-CE1 3.42Å
191	M	69.1	Low	58.2	Low	39 Å²	39	56 Å²	56	19%	0.192	29%	0.285	C	S	.	.	H	α-helix	trans	-67.2	-28.1	179.8	-168.3	56.4	178.7	0	0	113	I187 Y194 R195 I309 T313 A317	I187-M191 PolarHBondContact O-N 2.86Å; M191-Y194 HydrophobicContact CE-CD1 4Å; M191-Y194 HydrophobicContact CE-CE1 4.14Å; M191-Y194 HydrophobicContact SD-CD1 3.58Å; M191-Y194 VanDerWaalsContact SD-CD1 3.58Å; M191-Y194 HydrophobicContact SD-CE1 4.17Å; M191-Y194 HydrophobicContact SD-CG 4.35Å; M191-R195 PolarHBondContact O-N 2.76Å; M191-I309 HydrophobicContact SD-CD1 4Å; M191-T313 HydrophobicContact CE-CG2 3.49Å; M191-T313 VanDerWaalsContact CE-CG2 3.49Å; M191-A317 HydrophobicContact CE-CB 4.21Å
192	R	65.9	Low	61.3	Low	92 Å²	92	51.5 Å²	51.5	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-69	-51	172.4	-168.9	-158.2	-155.5	108.5	22.9	112.5	A188 K189 K190 Y194 R195 K196 T454	A188-R192 WeakPolarHBondContact O-CB 3.36Å; A188-R192 PolarHBondContact O-N 2.77Å; K189-R192 WeakPolarHBondContact O-CB 3.49Å; K189-R192 PolarHBondContact O-N 2.82Å; K190-R192 VanDerWaalsContact C-N 3.27Å; K190-R192 PolarHBondContact O-N 3.18Å; R192-Y194 VanDerWaalsContact C-N 3.27Å; R192-Y194 PolarHBondContact O-N 2.7Å; R192-R195 PolarHBondContact O-N 2.75Å; R192-K196 WeakPolarHBondContact O-CG 3.32Å; R192-K196 PolarHBondContact O-N 3.41Å; R192-T454 PolarHBondContact NH1-O 2.83Å; R192-T454 PolarHBondContact NH2-O 3.07Å
193	V	70.8	Confident	64.3	Low	37 Å²	37	50.2 Å²	50.2	22%	0.224	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-39.9	179.7	178.1	0	0	0	0	109.8	K189 K190 R195 K196 A197 F307 F484	K189-V193 WeakPolarHBondContact O-CG2 3.43Å; K189-V193 PolarHBondContact O-N 2.82Å; K190-V193 PolarHBondContact O-N 3.47Å; V193-R195 PolarHBondContact O-N 3.02Å; V193-K196 CarbonylContact O-C 3.6Å; V193-K196 WeakPolarHBondContact O-CB 3.42Å; V193-K196 PolarHBondContact O-N 3.48Å; V193-K196 VanDerWaalsContact O-N 3.12Å; V193-A197 PolarHBondContact O-N 3.37Å; V193-F307 HydrophobicContact CB-CE1 4.17Å; V193-F307 HydrophobicContact CB-CZ 4.39Å; V193-F307 HydrophobicContact CG1-CE1 4.22Å; V193-F307 HydrophobicContact CG1-CZ 3.94Å; V193-F484 HydrophobicContact CG1-CE2 4.17Å; V193-F484 HydrophobicContact CG1-CZ 4.02Å
194	Y	78.5	Confident	67.2	Low	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-51.8	-55.1	170.8	177.3	-110.1	0	0	0	113.4	K190 M191 R192 K196 A197 I198 I303 F307 I309 H314 A317	K190-Y194 VanDerWaalsContact O-CB 3.31Å; K190-Y194 WeakPolarHBondContact O-CB 3.13Å; K190-Y194 PolarHBondContact O-N 3.15Å; M191-Y194 HydrophobicContact CE-CD1 4Å; M191-Y194 HydrophobicContact CE-CE1 4.14Å; M191-Y194 HydrophobicContact SD-CD1 3.58Å; M191-Y194 VanDerWaalsContact SD-CD1 3.58Å; M191-Y194 HydrophobicContact SD-CE1 4.17Å; M191-Y194 HydrophobicContact SD-CG 4.35Å; R192-Y194 VanDerWaalsContact C-N 3.27Å; R192-Y194 PolarHBondContact O-N 2.7Å; Y194-K196 PolarHBondContact O-N 2.79Å; Y194-A197 PolarHBondContact O-N 3.45Å; Y194-I198 HydrophobicContact CD1-CD1 4.12Å; Y194-I198 HydrophobicContact CD2-CD1 4.47Å; Y194-I198 HydrophobicContact CE1-CD1 3.63Å; Y194-I198 HydrophobicContact CE2-CD1 4.04Å; Y194-I198 WeakPolarHBondContact O-CG1 3.48Å; Y194-I198 PolarHBondContact O-N 2.7Å; Y194-I303 HydrophobicContact CD2-CG2 3.67Å; Y194-I303 HydrophobicContact CE2-CG2 3.78Å; Y194-F307 HydrophobicContact CD2-CB 3.51Å; Y194-F307 HydrophobicContact CD2-CD1 4.11Å; Y194-F307 AromaticContact CD2-CD2 3.94Å; Y194-F307 HydrophobicContact CD2-CD2 3.94Å; Y194-F307 AromaticContact CD2-CG 3.58Å; Y194-F307 HydrophobicContact CD2-CG 3.58Å; Y194-F307 HydrophobicContact CE2-CB 4.03Å; Y194-F307 HydrophobicContact CE2-CG 4.49Å; Y194-F307 HydrophobicContact CG-CB 4.26Å; Y194-F307 HydrophobicContact CG-CD1 4.3Å; Y194-F307 HydrophobicContact CG-CG 4.22Å; Y194-I309 HydrophobicContact CD1-CG1 4.21Å; Y194-I309 HydrophobicContact CD2-CG1 3.98Å; Y194-I309 HydrophobicContact CE1-CB 4.32Å; Y194-I309 HydrophobicContact CE1-CG1 3.94Å; Y194-I309 HydrophobicContact CE1-CG2 4.01Å; Y194-I309 HydrophobicContact CE2-CB 4.13Å; Y194-I309 HydrophobicContact CE2-CG1 3.68Å; Y194-I309 HydrophobicContact CG-CG1 4.21Å; Y194-I309 WeakPolarHBondContact OH-CG2 3.48Å; Y194-H314 AromaticContact CZ-ND1 3.9Å; Y194-H314 WeakPolarHBondContact OH-CA 3.24Å; Y194-H314 WeakPolarHBondContact OH-CB 3.45Å; Y194-H314 PolarHBondContact OH-ND1 3.18Å; Y194-A317 HydrophobicContact CD1-CB 4.45Å; Y194-A317 HydrophobicContact CE1-CB 3.84Å
195	R	80.8	Confident	69.8	Low	106 Å²	106	44 Å²	44	40%	0.4	22%	0.217	S	C	.	.	H	α-helix	trans	-60.5	-34.8	176.9	-75.6	179.9	177.7	160.4	3.3	112.2	M191 R192 V193 Q199 A317 V321	M191-R195 PolarHBondContact O-N 2.76Å; R192-R195 PolarHBondContact O-N 2.75Å; V193-R195 PolarHBondContact O-N 3.02Å; R195-Q199 WeakPolarHBondContact O-CB 3.48Å; R195-Q199 PolarHBondContact O-N 3.07Å; R195-A317 HydrophobicContact CG-CB 4.28Å; R195-V321 HydrophobicContact CB-CG2 4.11Å; R195-V321 HydrophobicContact CG-CG2 4.36Å; R195-V321 WeakPolarHBondContact O-CG2 3.34Å
196	K	79.3	Confident	72.1	Confident	57 Å²	57	44 Å²	44	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-70.3	-39.6	176.1	-74	-76.5	177.4	-179.8	0	112.3	R192 V193 Y194 Q199 A200 F484 Y488	R192-K196 WeakPolarHBondContact O-CG 3.32Å; R192-K196 PolarHBondContact O-N 3.41Å; V193-K196 CarbonylContact O-C 3.6Å; V193-K196 WeakPolarHBondContact O-CB 3.42Å; V193-K196 PolarHBondContact O-N 3.48Å; V193-K196 VanDerWaalsContact O-N 3.12Å; Y194-K196 PolarHBondContact O-N 2.79Å; K196-Q199 CarbonylContact O-C 3.6Å; K196-Q199 WeakPolarHBondContact O-CB 3.35Å; K196-Q199 PolarHBondContact O-N 3.32Å; K196-Q199 VanDerWaalsContact O-N 3.14Å; K196-A200 PolarHBondContact O-N 3.35Å; K196-F484 HydrophobicContact CB-CE2 4.01Å; K196-Y488 HydrophobicContact CB-CE2 4.01Å; K196-Y488 HydrophobicContact CD-CE1 3.71Å; K196-Y488 HydrophobicContact CD-CE2 4.38Å; K196-Y488 WeakPolarHBondContact CD-OH 3.38Å; K196-Y488 PolarHBondContact O-OH 3.27Å
197	A	79.8	Confident	74.1	Confident	5 Å²	5	45.3 Å²	45.3	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-46.5	173.2	0	0	0	0	0	111.9	V193 Y194 Q199 A200 L201 I303 F484	V193-A197 PolarHBondContact O-N 3.37Å; Y194-A197 PolarHBondContact O-N 3.45Å; A197-Q199 VanDerWaalsContact C-N 3.3Å; A197-Q199 PolarHBondContact O-N 2.98Å; A197-A200 PolarHBondContact O-N 3.14Å; A197-A200 VanDerWaalsContact O-N 3.14Å; A197-L201 PolarHBondContact O-N 3.45Å; A197-I303 HydrophobicContact CB-CD1 4.49Å; A197-I303 HydrophobicContact CB-CG2 4.19Å; A197-F484 HydrophobicContact CB-CD2 4.09Å; A197-F484 HydrophobicContact CB-CE2 4.28Å
198	I	88	Confident	76	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-43	171.9	-61.1	172.5	0	0	0	110.5	Y194 A200 L201 I202 I303 A317 M318 V321	Y194-I198 HydrophobicContact CD1-CD1 4.12Å; Y194-I198 HydrophobicContact CD2-CD1 4.47Å; Y194-I198 HydrophobicContact CE1-CD1 3.63Å; Y194-I198 HydrophobicContact CE2-CD1 4.04Å; Y194-I198 WeakPolarHBondContact O-CG1 3.48Å; Y194-I198 PolarHBondContact O-N 2.7Å; I198-A200 PolarHBondContact O-N 3.38Å; I198-L201 PolarHBondContact O-N 2.86Å; I198-I202 WeakPolarHBondContact O-CB 3.18Å; I198-I202 WeakPolarHBondContact O-CG2 3.44Å; I198-I202 PolarHBondContact O-N 3.36Å; I198-I303 HydrophobicContact CG1-CG2 4.48Å; I198-A317 HydrophobicContact CD1-CB 4.43Å; I198-M318 HydrophobicContact CG2-CE 3.74Å; I198-M318 HydrophobicContact CG2-SD 3.49Å; I198-M318 WeakPolarHBondContact CG2-SD 3.47Å; I198-V321 HydrophobicContact CB-CG1 4.42Å; I198-V321 HydrophobicContact CB-CG2 4.44Å; I198-V321 HydrophobicContact CG2-CB 4.19Å; I198-V321 HydrophobicContact CG2-CG1 3.92Å; I198-V321 HydrophobicContact CG2-CG2 4.37Å
199	Q	86.2	Confident	77.9	Confident	35 Å²	35	41.7 Å²	41.7	16%	0.164	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-28.4	179.1	-158.9	-160.3	13.9	0	0	112.8	R195 K196 A197 V321 I325 R487 Y488	R195-Q199 WeakPolarHBondContact O-CB 3.48Å; R195-Q199 PolarHBondContact O-N 3.07Å; K196-Q199 CarbonylContact O-C 3.6Å; K196-Q199 WeakPolarHBondContact O-CB 3.35Å; K196-Q199 PolarHBondContact O-N 3.32Å; K196-Q199 VanDerWaalsContact O-N 3.14Å; A197-Q199 VanDerWaalsContact C-N 3.3Å; A197-Q199 PolarHBondContact O-N 2.98Å; Q199-V321 VanDerWaalsContact CA-CG1 3.41Å; Q199-V321 HydrophobicContact CB-CG1 3.69Å; Q199-V321 HydrophobicContact CG-CG1 3.94Å; Q199-I325 HydrophobicContact CG-CD1 3.92Å; Q199-I325 HydrophobicContact CG-CG1 3.9Å; Q199-R487 VanDerWaalsContact O-CZ 3.28Å; Q199-R487 PolarHBondContact O-NE 3.37Å; Q199-Y488 PolarHBondContact OE1-OH 3.47Å
200	A	82	Confident	79.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-74.7	-47.9	173.6	0	0	0	0	0	112.4	K196 A197 I198 Y203 P204 R487 Y488	K196-A200 PolarHBondContact O-N 3.35Å; A197-A200 PolarHBondContact O-N 3.14Å; A197-A200 VanDerWaalsContact O-N 3.14Å; I198-A200 PolarHBondContact O-N 3.38Å; A200-Y203 CarbonylContact O-C 3.57Å; A200-Y203 VanDerWaalsContact O-C 3.28Å; A200-P204 WeakPolarHBondContact O-CA 3.48Å; A200-R487 HydrophobicContact CB-CB 4.26Å; A200-Y488 HydrophobicContact CB-CE2 4.27Å
201	L	88.2	Confident	80.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-85.9	-20.8	-168.6	-68.9	152.1	0	0	0	113.9	A197 I198 Q292 I299 F300 I303 E479 V480 E483	A197-L201 PolarHBondContact O-N 3.45Å; I198-L201 PolarHBondContact O-N 2.86Å; L201-Q292 WeakPolarHBondContact O-CG 3.37Å; L201-Q292 PolarHBondContact O-NE2 3.04Å; L201-I299 HydrophobicContact CB-CG2 4.44Å; L201-I299 HydrophobicContact CD1-CG2 3.91Å; L201-I299 HydrophobicContact CD2-CG2 4.15Å; L201-I299 HydrophobicContact CG-CG2 4.39Å; L201-F300 HydrophobicContact CB-CE1 3.9Å; L201-F300 HydrophobicContact CB-CZ 4.23Å; L201-F300 WeakPolarHBondContact O-CZ 3.36Å; L201-I303 HydrophobicContact CD1-CD1 3.43Å; L201-I303 VanDerWaalsContact CD1-CD1 3.43Å; L201-I303 HydrophobicContact CD1-CG1 4.24Å; L201-E479 HydrophobicContact CD2-CG 4.11Å; L201-V480 HydrophobicContact CD1-CB 4.17Å; L201-V480 HydrophobicContact CD1-CG1 4.16Å; L201-V480 HydrophobicContact CD1-CG2 3.78Å; L201-E483 HydrophobicContact CD2-CB 3.71Å; L201-E483 HydrophobicContact CD2-CG 3.92Å; L201-E483 HydrophobicContact CG-CB 4.29Å
202	I	90.5	Very high	81.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.224	C	C	.	.	S	Bend	trans	-77.8	-21.3	175	-159.3	61.7	0	0	0	113.1	I198 M289 E293 F300 M318 V321 K322 I325	I198-I202 WeakPolarHBondContact O-CB 3.18Å; I198-I202 WeakPolarHBondContact O-CG2 3.44Å; I198-I202 PolarHBondContact O-N 3.36Å; I202-M289 HydrophobicContact CG1-CB 4.13Å; I202-M289 HydrophobicContact CG1-CG 4.11Å; I202-M289 WeakPolarHBondContact O-CG 3.42Å; I202-E293 HydrophobicContact CD1-CB 3.89Å; I202-F300 HydrophobicContact CB-CE1 4.09Å; I202-F300 HydrophobicContact CB-CZ 4.22Å; I202-F300 HydrophobicContact CD1-CE1 4.08Å; I202-F300 HydrophobicContact CD1-CE2 4.31Å; I202-F300 HydrophobicContact CD1-CZ 3.72Å; I202-M318 HydrophobicContact CD1-SD 3.97Å; I202-M318 HydrophobicContact CG1-SD 4.18Å; I202-V321 HydrophobicContact CG2-CG1 4.04Å; I202-K322 HydrophobicContact CG1-CG 4.09Å; I202-I325 HydrophobicContact CG2-CD1 3.31Å
203	Y	87.9	Confident	82.4	Confident	18 Å²	18	39 Å²	39	7%	0.071	22%	0.215	C	C	.	.	S	Bend	trans	-144.9	72.8	174.9	-158.1	-95.3	0	0	0	109.1	A200 D259 M285 R288 M289 I325	A200-Y203 CarbonylContact O-C 3.57Å; A200-Y203 VanDerWaalsContact O-C 3.28Å; Y203-D259 PolarHBondContact OH-OD2 3.31Å; Y203-M285 HydrophobicContact CE2-CE 4.5Å; Y203-M285 HydrophobicContact CE2-CG 4.47Å; Y203-R288 HydrophobicContact CE2-CB 4.38Å; Y203-M289 HydrophobicContact CD2-CG 4.02Å; Y203-I325 HydrophobicContact CD2-CG2 4.47Å; Y203-I325 HydrophobicContact CG-CG2 4.2Å
204	P	85.5	Confident	83.4	Confident	12 Å²	12	42.5 Å²	42.5	8%	0.078	23%	0.229	C	C	.	.			trans	-68.3	154.7	-171.8	29.1	-36.8	0	0	0	112.7	A200 V207 E483	A200-P204 WeakPolarHBondContact O-CA 3.48Å; P204-V207 HydrophobicContact CG-CB 4.14Å; P204-V207 HydrophobicContact CG-CG2 3.93Å; P204-E483 VanDerWaalsContact CA-OE2 3.29Å; P204-E483 WeakPolarHBondContact CA-OE2 3.25Å; P204-E483 VanDerWaalsContact CB-CD 3.4Å; P204-E483 HydrophobicContact CB-CG 4.04Å; P204-E483 WeakPolarHBondContact CB-OE2 3.32Å
205	I	77.3	Confident	84	Confident	41 Å²	41	48.7 Å²	48.7	21%	0.21	26%	0.261	C	S	.	.	S	Bend	trans	-80.4	-35.5	178.7	-66.4	-164.3	0	0	0	111.6	V207 S208 E483 R487	I205-V207 PolarHBondContact O-N 3.21Å; I205-V207 VanDerWaalsContact O-N 3.08Å; I205-S208 PolarHBondContact O-N 2.65Å; I205-E483 PolarHBondContact N-OE2 3.03Å; I205-R487 HydrophobicContact CD1-CB 3.95Å; I205-R487 HydrophobicContact CD1-CG 3.91Å; I205-R487 HydrophobicContact CG1-CB 4.19Å; I205-R487 HydrophobicContact CG1-CG 4.14Å
206	S	77.5	Confident	84.5	Confident	75 Å²	75	46.3 Å²	46.3	52%	0.524	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.3	176.5	56.4	0	0	0	0	113.1	E483	S206-E483 WeakPolarHBondContact CB-OE1 3.32Å; S206-E483 PolarHBondContact N-OE1 2.87Å; S206-E483 PolarHBondContact OG-OE1 2.99Å
207	V	76.7	Confident	85.1	Confident	78 Å²	78	46 Å²	46	47%	0.473	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	50.9	-178.8	-155.3	0	0	0	0	111.6	P204 I205 R288	P204-V207 HydrophobicContact CG-CB 4.14Å; P204-V207 HydrophobicContact CG-CG2 3.93Å; I205-V207 PolarHBondContact O-N 3.21Å; I205-V207 VanDerWaalsContact O-N 3.08Å; V207-R288 PolarHBondContact O-NH2 3.37Å
208	S	73.2	Confident	85.4	Confident	62 Å²	62	45.8 Å²	45.8	43%	0.434	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68.5	157.8	172.1	68.1	0	0	0	0	113	I205	I205-S208 PolarHBondContact O-N 2.65Å
209	V	79.7	Confident	85.4	Confident	27 Å²	27	52.1 Å²	52.1	16%	0.164	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-86.3	123.9	175	179.8	0	0	0	0	110.2	D259 C260 L261	V209-D259 WeakPolarHBondContact CB-OD1 3.21Å; V209-D259 PolarHBondContact N-OD1 2.64Å; V209-C260 HydrophobicContact CB-CB 4.27Å; V209-C260 HydrophobicContact CG1-CB 4.25Å; V209-C260 WeakPolarHBondContact O-CB 3.3Å; V209-C260 PolarHBondContact O-N 3.06Å; V209-L261 HydrophobicContact CB-CG 4.13Å; V209-L261 HydrophobicContact CG1-CG 4.23Å; V209-L261 HydrophobicContact CG2-CD1 3.68Å; V209-L261 HydrophobicContact CG2-CG 3.79Å
210	P	81.9	Confident	85.4	Confident	112 Å²	112	53.6 Å²	53.6	73%	0.727	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-65.2	146.7	-179.7	27.1	-35	0	0	0	111.8
211	H	85	Confident	85.6	Confident	29 Å²	29	57.6 Å²	57.6	13%	0.134	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-78.9	130.8	178.2	-68.5	-87.3	0	0	0	111.5	F213 C241 C244 A258	H211-F213 HydrophobicContact CB-CD2 3.68Å; H211-F213 HydrophobicContact CB-CE1 4.41Å; H211-F213 HydrophobicContact CB-CE2 3.28Å; H211-F213 HydrophobicContact CB-CG 4.41Å; H211-F213 HydrophobicContact CB-CZ 3.68Å; H211-F213 AromaticContact CG-CE2 3.96Å; H211-F213 PolarHBondContact O-N 2.61Å; H211-F213 VanDerWaalsContact O-N 3.16Å; H211-C241 HydrophobicContact CB-CB 4.22Å; H211-C244 VanDerWaalsContact CE1-SG 3.51Å; H211-C244 PolarHBondContact ND1-SG 3.38Å; H211-A258 PolarHBondContact CE1-O 2.82Å; H211-A258 PolarHBondContact NE2-O 3.02Å
212	N	89.4	Confident	85.4	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	34%	0.337	S	S	.	.			trans	-83.7	86.4	173.6	-175.3	21.8	0	0	0	110.9	C241 S242	N212-C241 CarbonylContact O-C 3.49Å; N212-C241 VanDerWaalsContact O-CA 3.27Å; N212-C241 WeakPolarHBondContact O-CA 3.46Å; N212-S242 WeakPolarHBondContact CB-OG 3.46Å; N212-S242 PolarHBondContact ND2-OG 2.9Å; N212-S242 PolarHBondContact O-N 3.49Å
213	F	91.8	Very high	85.2	Confident	35 Å²	35	65.2 Å²	65.2	15%	0.154	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137	-174.6	-80	-64.3	0	0	0	114.5	H211 L239 C241 V246 K253 L256	H211-F213 HydrophobicContact CB-CD2 3.68Å; H211-F213 HydrophobicContact CB-CE1 4.41Å; H211-F213 HydrophobicContact CB-CE2 3.28Å; H211-F213 HydrophobicContact CB-CG 4.41Å; H211-F213 HydrophobicContact CB-CZ 3.68Å; H211-F213 AromaticContact CG-CE2 3.96Å; H211-F213 PolarHBondContact O-N 2.61Å; H211-F213 VanDerWaalsContact O-N 3.16Å; F213-L239 HydrophobicContact CB-CB 4.13Å; F213-L239 HydrophobicContact CB-CD1 4.01Å; F213-L239 HydrophobicContact CB-CD2 4.32Å; F213-L239 HydrophobicContact CB-CG 4.41Å; F213-L239 HydrophobicContact CD1-CB 3.53Å; F213-L239 HydrophobicContact CD1-CD1 4.34Å; F213-L239 HydrophobicContact CD2-CD1 4.5Å; F213-L239 HydrophobicContact CE1-CB 4.18Å; F213-L239 HydrophobicContact CG-CB 4.02Å; F213-L239 HydrophobicContact CG-CD1 4.05Å; F213-C241 HydrophobicContact CD1-CB 4.15Å; F213-C241 HydrophobicContact CE1-CB 4Å; F213-V246 HydrophobicContact CE1-CG1 3.67Å; F213-V246 HydrophobicContact CZ-CG1 3.66Å; F213-K253 HydrophobicContact CD2-CD 4.19Å; F213-K253 HydrophobicContact CD2-CG 3.69Å; F213-K253 HydrophobicContact CE2-CG 3.76Å; F213-L256 HydrophobicContact CE1-CD1 4.48Å; F213-L256 HydrophobicContact CE2-CD1 4.04Å; F213-L256 HydrophobicContact CZ-CD1 3.46Å; F213-L256 VanDerWaalsContact CZ-CD1 3.46Å
214	Q	92.3	Very high	85	Confident	111 Å²	111	64.4 Å²	64.4	52%	0.519	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	146.8	173.7	-64	178.3	-21.5	0	0	110	W216 L239 R240	Q214-W216 PolarHBondContact O-N 2.97Å; Q214-L239 CarbonylContact O-C 3.55Å; Q214-L239 WeakPolarHBondContact O-CA 3.47Å; Q214-R240 PolarHBondContact N-O 2.69Å; Q214-R240 PolarHBondContact O-N 2.93Å
215	I	91.9	Very high	84.9	Confident	131 Å²	131	66.9 Å²	66.9	67%	0.672	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	131.4	175.6	-61.2	172.9	0	0	0	109.4	L239	I215-L239 HydrophobicContact CG1-CD2 4.33Å
216	W	91.2	Very high	85	Confident	55 Å²	55	66 Å²	66	21%	0.208	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.3	-174.3	177.2	72.7	0	0	0	111.6	Q214 A218 T222 L231 G238 R240 K247	Q214-W216 PolarHBondContact O-N 2.97Å; W216-A218 HydrophobicContact CE3-CB 4.39Å; W216-A218 VanDerWaalsContact CH2-CA 3.48Å; W216-A218 HydrophobicContact CH2-CB 3.38Å; W216-A218 HydrophobicContact CZ2-CB 4.18Å; W216-A218 HydrophobicContact CZ3-CB 3.52Å; W216-T222 HydrophobicContact CH2-CG2 3.98Å; W216-T222 HydrophobicContact CZ3-CG2 4.05Å; W216-L231 HydrophobicContact CZ3-CD1 4.48Å; W216-G238 PolarHBondContact N-O 3.15Å; W216-G238 PolarHBondContact O-N 2.69Å; W216-G238 VanDerWaalsContact O-O 3.12Å; W216-R240 HydrophobicContact CB-CB 3.45Å; W216-R240 VanDerWaalsContact CB-CB 3.45Å; W216-R240 HydrophobicContact CD2-CB 4.16Å; W216-R240 HydrophobicContact CG-CB 3.64Å; W216-R240 HydrophobicContact CG-CG 4.36Å; W216-K247 HydrophobicContact CE3-CD 4.1Å; W216-K247 HydrophobicContact CE3-CG 4.2Å; W216-K247 HydrophobicContact CH2-CD 3.65Å; W216-K247 VanDerWaalsContact CH2-CE 3.45Å; W216-K247 HydrophobicContact CZ2-CD 4.3Å; W216-K247 HydrophobicContact CZ3-CB 4.4Å; W216-K247 HydrophobicContact CZ3-CD 3.51Å; W216-K247 HydrophobicContact CZ3-CG 4.09Å
217	T	90.9	Very high	85	Confident	51 Å²	51	65.2 Å²	65.2	31%	0.313	36%	0.358	S	S	.	.			trans	-96.9	125.4	177	-53.8	0	0	0	0	109.5	T219 L234 Q237	T217-T219 PolarHBondContact O-N 3.09Å; T217-L234 HydrophobicContact CG2-CD2 3.97Å; T217-Q237 HydrophobicContact CG2-CG 4.44Å; T217-Q237 PolarHBondContact OG1-NE2 3.12Å
218	A	86.3	Confident	85	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.008	35%	0.349	C	S	.	.			trans	-81.6	112	178.4	0	0	0	0	0	111.1	W216 S220 L231 G233	W216-A218 HydrophobicContact CE3-CB 4.39Å; W216-A218 VanDerWaalsContact CH2-CA 3.48Å; W216-A218 HydrophobicContact CH2-CB 3.38Å; W216-A218 HydrophobicContact CZ2-CB 4.18Å; W216-A218 HydrophobicContact CZ3-CB 3.52Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-L231 HydrophobicContact CB-CB 4.26Å; A218-L231 VanDerWaalsContact CB-O 3.23Å; A218-L231 WeakPolarHBondContact CB-O 3.4Å; A218-G233 PolarHBondContact O-N 2.85Å; A218-G233 VanDerWaalsContact O-N 3.07Å
219	T	87.9	Confident	85.4	Confident	133 Å²	133	62.8 Å²	62.8	82%	0.816	34%	0.342	S	S	*	.	S	Bend	trans	-74.5	-19.7	176	50.3	0	0	0	0	113.4	T217	T217-T219 PolarHBondContact O-N 3.09Å
220	S	86.8	Confident	85.7	Confident	66 Å²	66	64 Å²	64	46%	0.462	35%	0.347	S	S	.	.	S	Bend	trans	-128.4	154	172	58.5	0	0	0	0	110.4	A218 T222	A218-S220 VanDerWaalsContact C-N 3.31Å; S220-T222 PolarHBondContact O-N 3.26Å; S220-T222 PolarHBondContact O-OG1 3.45Å
221	P	84.7	Confident	85.9	Confident	83 Å²	83	58.7 Å²	58.7	54%	0.539	31%	0.312	S	S	.	.			trans	-50.4	114.2	176.4	-28.9	36.7	0	0	0	111.3	L230	P221-L230 HydrophobicContact CB-CD1 4.03Å
222	T	85.6	Confident	86	Confident	18 Å²	18	63.8 Å²	63.8	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.4	-176.5	-60.1	0	0	0	0	108.7	W216 S220 L231 K247	W216-T222 HydrophobicContact CH2-CG2 3.98Å; W216-T222 HydrophobicContact CZ3-CG2 4.05Å; S220-T222 PolarHBondContact O-N 3.26Å; S220-T222 PolarHBondContact O-OG1 3.45Å; T222-L231 PolarHBondContact N-O 3.32Å; T222-L231 WeakPolarHBondContact O-CA 3.42Å; T222-L231 PolarHBondContact O-N 3.31Å; T222-L231 VanDerWaalsContact O-O 3.05Å; T222-K247 HydrophobicContact CG2-CD 3.54Å
223	Y	85.1	Confident	85.8	Confident	145 Å²	145	60.8 Å²	60.8	57%	0.569	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.2	-179.8	-57.9	-75.8	0	0	0	111.5	Y225 E228 L230	Y223-Y225 PolarHBondContact O-N 3Å; Y223-E228 VanDerWaalsContact CD1-O 3.23Å; Y223-E228 WeakPolarHBondContact CD1-O 3.39Å; Y223-L230 HydrophobicContact CD1-CD1 4.39Å; Y223-L230 HydrophobicContact CE1-CB 4.38Å; Y223-L230 HydrophobicContact CE1-CD1 3.95Å
224	C	85.2	Confident	85.4	Confident	1 Å²	1	65.6 Å²	65.6	1%	0.007	35%	0.347	C	S	.	.			trans	-62	130	170.8	174.4	0	0	0	0	110.1	E226 E228 G229 L231 C248 H249 C252	C224-E226 PolarHBondContact O-N 3.27Å; C224-E228 WeakPolarHBondContact O-CA 3.38Å; C224-E228 PolarHBondContact O-N 2.91Å; C224-G229 PolarHBondContact N-O 3.5Å; C224-L231 HydrophobicContact CB-CD1 4.47Å; C224-C248 VanDerWaalsContact SG-CA 3.54Å; C224-H249 WeakPolarHBondContact CB-ND1 3.34Å; C224-H249 PolarHBondContact SG-N 3.13Å; C224-H249 VanDerWaalsContact SG-N 3.43Å; C224-C252 VanDerWaalsContact SG-SG 3.66Å
225	Y	81.7	Confident	84.7	Confident	63 Å²	63	65.2 Å²	65.2	25%	0.247	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-37.4	-179.3	-178.5	-96.3	0	0	0	113.1	Y223 V246 K247 L256 R263 K383	Y223-Y225 PolarHBondContact O-N 3Å; Y225-V246 HydrophobicContact CD1-CG2 4.14Å; Y225-V246 HydrophobicContact CD2-CG2 4.41Å; Y225-V246 HydrophobicContact CG-CG2 3.84Å; Y225-K247 WeakPolarHBondContact CB-O 3.22Å; Y225-K247 PolarHBondContact N-O 2.97Å; Y225-L256 HydrophobicContact CD1-CD2 3.5Å; Y225-L256 HydrophobicContact CE1-CD2 4.21Å; Y225-L256 HydrophobicContact CG-CD2 4.44Å; Y225-R263 VanDerWaalsContact CE2-NH2 3.3Å; Y225-K383 PolarHBondContact O-NZ 3.14Å
226	E	79.5	Confident	84.1	Confident	24 Å²	24	65.5 Å²	65.5	11%	0.112	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-71.9	-177.7	-162.8	56.2	-115	0	0	111.4	C224 C252 L255 L256 R381 K383	C224-E226 PolarHBondContact O-N 3.27Å; E226-C252 HydrophobicContact CB-CB 3.93Å; E226-L255 HydrophobicContact CG-CB 3.82Å; E226-L255 HydrophobicContact CG-CD1 4.32Å; E226-L256 HydrophobicContact CB-CD2 4.21Å; E226-R381 IonicContact OE1-CZ 3.89Å; E226-R381 IonicContact OE1-NH1 2.71Å; E226-R381 PolarHBondContact OE1-NH1 3.14Å; E226-R381 IonicContact OE2-CZ 3.98Å; E226-R381 IonicContact OE2-NH1 3.65Å; E226-R381 PolarHBondContact OE2-NH1 3.17Å; E226-R381 IonicContact OE2-NH2 2.69Å; E226-R381 PolarHBondContact OE2-NH2 3.21Å; E226-K383 PolarHBondContact O-NZ 3.25Å
227	C	77.8	Confident	83.9	Confident	57 Å²	57	67 Å²	67	39%	0.385	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3.8	-171	82.9	0	0	0	0	115.3	G229 H249	C227-G229 PolarHBondContact O-N 2.82Å; C227-H249 VanDerWaalsContact SG-CE1 3.58Å; C227-H249 PolarHBondContact SG-ND1 2.87Å
228	E	77.4	Confident	83.9	Confident	63 Å²	63	64.9 Å²	64.9	29%	0.294	35%	0.352	S	S	.	.			trans	56.3	4.8	-178.5	-81.8	154.5	-147.6	0	0	117.2	Y223 C224 K383 R385	Y223-E228 VanDerWaalsContact CD1-O 3.23Å; Y223-E228 WeakPolarHBondContact CD1-O 3.39Å; C224-E228 WeakPolarHBondContact O-CA 3.38Å; C224-E228 PolarHBondContact O-N 2.91Å; E228-K383 WeakPolarHBondContact OE1-CD 3.49Å; E228-K383 WeakPolarHBondContact OE1-CE 3.38Å; E228-K383 IonicContact OE1-NZ 3.48Å; E228-K383 PolarHBondContact OE1-NZ 3.25Å; E228-R385 IonicContact OE1-NH2 3.97Å; E228-R385 IonicContact OE2-CZ 3.23Å; E228-R385 VanDerWaalsContact OE2-CZ 3.22Å; E228-R385 IonicContact OE2-NH1 2.82Å; E228-R385 PolarHBondContact OE2-NH1 3.45Å; E228-R385 IonicContact OE2-NH2 2.76Å; E228-R385 PolarHBondContact OE2-NH2 2.95Å
229	G	80.6	Confident	84.2	Confident	26 Å²	26	65.2 Å²	65.2	27%	0.268	35%	0.354	S	S	.	.			trans	-64.4	146.7	175.4	0	0	0	0	0	111.9	C224 C227 L231 H249	C224-G229 PolarHBondContact N-O 3.5Å; C227-G229 PolarHBondContact O-N 2.82Å; G229-L231 PolarHBondContact O-N 2.52Å; G229-H249 PolarHBondContact O-CE1 2.85Å
230	L	85.7	Confident	84.4	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.277	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	119.8	-175.7	178.9	67.6	0	0	0	112.5	P221 Y223 W232 R236	P221-L230 HydrophobicContact CB-CD1 4.03Å; Y223-L230 HydrophobicContact CD1-CD1 4.39Å; Y223-L230 HydrophobicContact CE1-CB 4.38Å; Y223-L230 HydrophobicContact CE1-CD1 3.95Å; L230-W232 HydrophobicContact CD1-CB 4.14Å; L230-W232 HydrophobicContact CD2-CB 4.34Å; L230-W232 HydrophobicContact CG-CB 4.04Å; L230-R236 WeakPolarHBondContact O-CB 3.31Å; L230-R236 WeakPolarHBondContact O-CD 3.34Å
231	L	86.4	Confident	84.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	112.5	164.1	-61.6	174.5	0	0	0	108.5	W216 A218 T222 C224 G229 R236 K247 H249	W216-L231 HydrophobicContact CZ3-CD1 4.48Å; A218-L231 HydrophobicContact CB-CB 4.26Å; A218-L231 VanDerWaalsContact CB-O 3.23Å; A218-L231 WeakPolarHBondContact CB-O 3.4Å; T222-L231 PolarHBondContact N-O 3.32Å; T222-L231 WeakPolarHBondContact O-CA 3.42Å; T222-L231 PolarHBondContact O-N 3.31Å; T222-L231 VanDerWaalsContact O-O 3.05Å; C224-L231 HydrophobicContact CB-CD1 4.47Å; G229-L231 PolarHBondContact O-N 2.52Å; L231-R236 WeakPolarHBondContact CA-O 3.11Å; L231-K247 HydrophobicContact CD1-CB 4.21Å; L231-H249 WeakPolarHBondContact CD2-CD2 3.19Å; L231-H249 WeakPolarHBondContact CD2-NE2 3.36Å
232	W	87.3	Confident	84.7	Confident	137 Å²	137	56.9 Å²	56.9	52%	0.519	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-159.7	131.4	179.9	-172.1	52.8	0	0	0	112.7	L230 R236	L230-W232 HydrophobicContact CD1-CB 4.14Å; L230-W232 HydrophobicContact CD2-CB 4.34Å; L230-W232 HydrophobicContact CG-CB 4.04Å; W232-R236 PolarHBondContact N-O 2.93Å; W232-R236 VanDerWaalsContact N-O 3.17Å; W232-R236 PolarHBondContact O-N 2.7Å
233	G	85	Confident	84.6	Confident	24 Å²	24	59.8 Å²	59.8	25%	0.247	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-170.5	179.4	0	0	0	0	0	114	A218 A235	A218-G233 PolarHBondContact O-N 2.85Å; A218-G233 VanDerWaalsContact O-N 3.07Å; G233-A235 VanDerWaalsContact C-N 3.34Å
234	L	83.6	Confident	84.6	Confident	136 Å²	136	53.1 Å²	53.1	71%	0.712	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.1	179.7	-64.8	173.2	0	0	0	112.8	T217 R236	T217-L234 HydrophobicContact CG2-CD2 3.97Å; L234-R236 VanDerWaalsContact C-N 3.31Å; L234-R236 PolarHBondContact O-N 3.41Å
235	A	78.2	Confident	84.6	Confident	102 Å²	102	53.6 Å²	53.6	84%	0.843	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-19.4	-178.8	0	0	0	0	0	114	G233	G233-A235 VanDerWaalsContact C-N 3.34Å
236	R	79	Confident	84.9	Confident	138 Å²	138	50.9 Å²	50.9	52%	0.521	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-134.5	56.8	176.5	-59.4	-170.2	-178.6	112.9	-4.6	110.4	L230 L231 W232 L234	L230-R236 WeakPolarHBondContact O-CB 3.31Å; L230-R236 WeakPolarHBondContact O-CD 3.34Å; L231-R236 WeakPolarHBondContact CA-O 3.11Å; W232-R236 PolarHBondContact N-O 2.93Å; W232-R236 VanDerWaalsContact N-O 3.17Å; W232-R236 PolarHBondContact O-N 2.7Å; L234-R236 VanDerWaalsContact C-N 3.31Å; L234-R236 PolarHBondContact O-N 3.41Å
237	Q	87.2	Confident	85.4	Confident	86 Å²	86	52.7 Å²	52.7	40%	0.402	28%	0.28	S	S	.	.			trans	-61.4	150.9	168.4	-74.6	178.4	-35.3	0	0	110.8	T217	T217-Q237 HydrophobicContact CG2-CG 4.44Å; T217-Q237 PolarHBondContact OG1-NE2 3.12Å
238	G	90.4	Very high	86	Confident	6 Å²	6	50 Å²	50	6%	0.062	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-174.3	174.3	0	0	0	0	0	111.3	W216 C248	W216-G238 PolarHBondContact N-O 3.15Å; W216-G238 PolarHBondContact O-N 2.69Å; W216-G238 VanDerWaalsContact O-O 3.12Å; G238-C248 CarbonylContact C-O 3.57Å; G238-C248 WeakPolarHBondContact CA-O 3.19Å
239	L	92.9	Very high	86.6	Confident	9 Å²	9	48.5 Å²	48.5	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.3	168.9	-64.8	176.4	0	0	0	110	F213 Q214 I215 K247 C248 E250 K253	F213-L239 HydrophobicContact CB-CB 4.13Å; F213-L239 HydrophobicContact CB-CD1 4.01Å; F213-L239 HydrophobicContact CB-CD2 4.32Å; F213-L239 HydrophobicContact CB-CG 4.41Å; F213-L239 HydrophobicContact CD1-CB 3.53Å; F213-L239 HydrophobicContact CD1-CD1 4.34Å; F213-L239 HydrophobicContact CD2-CD1 4.5Å; F213-L239 HydrophobicContact CE1-CB 4.18Å; F213-L239 HydrophobicContact CG-CB 4.02Å; F213-L239 HydrophobicContact CG-CD1 4.05Å; Q214-L239 CarbonylContact O-C 3.55Å; Q214-L239 WeakPolarHBondContact O-CA 3.47Å; I215-L239 HydrophobicContact CG1-CD2 4.33Å; L239-K247 CarbonylContact O-C 3.47Å; L239-K247 VanDerWaalsContact O-CA 3.27Å; L239-K247 WeakPolarHBondContact O-CA 3.16Å; L239-C248 PolarHBondContact N-O 2.73Å; L239-C248 PolarHBondContact O-N 2.96Å; L239-E250 WeakPolarHBondContact CD1-OE2 3.49Å; L239-E250 WeakPolarHBondContact CD2-OE2 3.31Å; L239-E250 WeakPolarHBondContact CG-OE2 3.47Å; L239-K253 HydrophobicContact CD1-CB 4.04Å; L239-K253 HydrophobicContact CD1-CD 3.97Å; L239-K253 HydrophobicContact CD1-CG 4.23Å
240	R	92.2	Very high	86.9	Confident	84 Å²	84	52.9 Å²	52.9	32%	0.317	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.4	169.5	-177.5	-176.3	175.6	-80.5	11.4	109.8	Q214 W216 V246 K247	Q214-R240 PolarHBondContact N-O 2.69Å; Q214-R240 PolarHBondContact O-N 2.93Å; W216-R240 HydrophobicContact CB-CB 3.45Å; W216-R240 VanDerWaalsContact CB-CB 3.45Å; W216-R240 HydrophobicContact CD2-CB 4.16Å; W216-R240 HydrophobicContact CG-CB 3.64Å; W216-R240 HydrophobicContact CG-CG 4.36Å; R240-V246 VanDerWaalsContact CA-O 3.27Å; R240-V246 WeakPolarHBondContact CA-O 3.32Å; R240-K247 HydrophobicContact CG-CG 4.39Å
241	C	90.9	Very high	87.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.2	174.4	179	0	0	0	0	111.1	H211 N212 F213 E243 G245 V246	H211-C241 HydrophobicContact CB-CB 4.22Å; N212-C241 CarbonylContact O-C 3.49Å; N212-C241 VanDerWaalsContact O-CA 3.27Å; N212-C241 WeakPolarHBondContact O-CA 3.46Å; F213-C241 HydrophobicContact CD1-CB 4.15Å; F213-C241 HydrophobicContact CE1-CB 4Å; C241-E243 VanDerWaalsContact C-N 3.3Å; C241-E243 PolarHBondContact O-N 2.85Å; C241-E243 PolarHBondContact SG-N 3.28Å; C241-G245 WeakPolarHBondContact O-CA 3.42Å; C241-G245 PolarHBondContact O-N 3.28Å; C241-G245 VanDerWaalsContact O-N 3.16Å; C241-V246 HydrophobicContact CB-CG1 3.8Å; C241-V246 PolarHBondContact N-O 2.97Å
242	S	87.3	Confident	87	Confident	22 Å²	22	58.4 Å²	58.4	15%	0.154	29%	0.29	C	S	.	.	S	Bend	trans	-65.6	-34.2	176.5	65.3	0	0	0	0	112.5	N212 R277	N212-S242 WeakPolarHBondContact CB-OG 3.46Å; N212-S242 PolarHBondContact ND2-OG 2.9Å; N212-S242 PolarHBondContact O-N 3.49Å; S242-R277 PolarHBondContact O-NH2 3.04Å
243	E	84.1	Confident	86.9	Confident	79 Å²	79	55.8 Å²	55.8	37%	0.369	28%	0.282	S	S	.	.	S	Bend	trans	-86.2	-74.3	-174.3	-57	-38.8	118.4	0	0	112.2	C241 R277	C241-E243 VanDerWaalsContact C-N 3.3Å; C241-E243 PolarHBondContact O-N 2.85Å; C241-E243 PolarHBondContact SG-N 3.28Å; E243-R277 IonicContact OE2-CZ 3.76Å; E243-R277 IonicContact OE2-NH2 2.95Å; E243-R277 PolarHBondContact OE2-NH2 2.84Å
244	C	83.9	Confident	86.7	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-77.5	-22.7	-178.6	75.5	0	0	0	0	112.9	H211 V246 R263 A264 K267	H211-C244 VanDerWaalsContact CE1-SG 3.51Å; H211-C244 PolarHBondContact ND1-SG 3.38Å; C244-V246 VanDerWaalsContact C-N 3.32Å; C244-V246 PolarHBondContact O-N 2.85Å; C244-V246 VanDerWaalsContact SG-CG1 3.53Å; C244-V246 PolarHBondContact SG-N 2.9Å; C244-V246 VanDerWaalsContact SG-N 3.38Å; C244-R263 HydrophobicContact CB-CB 3.65Å; C244-A264 HydrophobicContact CB-CB 4.29Å; C244-K267 WeakPolarHBondContact O-CD 3.03Å; C244-K267 PolarHBondContact O-NZ 2.84Å
245	G	85.9	Confident	86.4	Confident	11 Å²	11	60.1 Å²	60.1	11%	0.113	30%	0.3	C	S	.	.			trans	67.8	24.6	-175.9	0	0	0	0	0	115.5	C241	C241-G245 WeakPolarHBondContact O-CA 3.42Å; C241-G245 PolarHBondContact O-N 3.28Å; C241-G245 VanDerWaalsContact O-N 3.16Å
246	V	86.8	Confident	86.2	Confident	5 Å²	5	56.2 Å²	56.2	3%	0.03	27%	0.265	C	S	.	.			trans	-56.1	144.7	162.5	66.3	0	0	0	0	109.7	F213 Y225 R240 C241 C244 L256 R263	F213-V246 HydrophobicContact CE1-CG1 3.67Å; F213-V246 HydrophobicContact CZ-CG1 3.66Å; Y225-V246 HydrophobicContact CD1-CG2 4.14Å; Y225-V246 HydrophobicContact CD2-CG2 4.41Å; Y225-V246 HydrophobicContact CG-CG2 3.84Å; R240-V246 VanDerWaalsContact CA-O 3.27Å; R240-V246 WeakPolarHBondContact CA-O 3.32Å; C241-V246 HydrophobicContact CB-CG1 3.8Å; C241-V246 PolarHBondContact N-O 2.97Å; C244-V246 VanDerWaalsContact C-N 3.32Å; C244-V246 PolarHBondContact O-N 2.85Å; C244-V246 VanDerWaalsContact SG-CG1 3.53Å; C244-V246 PolarHBondContact SG-N 2.9Å; C244-V246 VanDerWaalsContact SG-N 3.38Å; V246-L256 HydrophobicContact CG1-CD1 4.4Å; V246-L256 HydrophobicContact CG2-CD1 4.44Å; V246-L256 HydrophobicContact CG2-CD2 4.42Å; V246-R263 VanDerWaalsContact CG2-NH1 3.27Å
247	K	90	Very high	85.6	Confident	63 Å²	63	52.1 Å²	52.1	27%	0.274	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.9	-179.5	-57.1	172.8	175.9	-179.6	0	109.5	W216 T222 Y225 L231 L239 R240	W216-K247 HydrophobicContact CE3-CD 4.1Å; W216-K247 HydrophobicContact CE3-CG 4.2Å; W216-K247 HydrophobicContact CH2-CD 3.65Å; W216-K247 VanDerWaalsContact CH2-CE 3.45Å; W216-K247 HydrophobicContact CZ2-CD 4.3Å; W216-K247 HydrophobicContact CZ3-CB 4.4Å; W216-K247 HydrophobicContact CZ3-CD 3.51Å; W216-K247 HydrophobicContact CZ3-CG 4.09Å; T222-K247 HydrophobicContact CG2-CD 3.54Å; Y225-K247 WeakPolarHBondContact CB-O 3.22Å; Y225-K247 PolarHBondContact N-O 2.97Å; L231-K247 HydrophobicContact CD1-CB 4.21Å; L239-K247 CarbonylContact O-C 3.47Å; L239-K247 VanDerWaalsContact O-CA 3.27Å; L239-K247 WeakPolarHBondContact O-CA 3.16Å; R240-K247 HydrophobicContact CG-CG 4.39Å
248	C	90.3	Very high	84.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	171.9	-179.8	66.3	0	0	0	0	112.1	C224 G238 L239 C252 L256	C224-C248 VanDerWaalsContact SG-CA 3.54Å; G238-C248 CarbonylContact C-O 3.57Å; G238-C248 WeakPolarHBondContact CA-O 3.19Å; L239-C248 PolarHBondContact N-O 2.73Å; L239-C248 PolarHBondContact O-N 2.96Å; C248-C252 HydrophobicContact CB-CB 4.08Å; C248-L256 HydrophobicContact CB-CD1 4.2Å
249	H	89.8	Confident	84	Confident	31 Å²	31	48.9 Å²	48.9	14%	0.144	24%	0.243	C	C	.	.			trans	-78.5	159.3	162.7	-60.4	106.8	0	0	0	110.4	C224 C227 G229 L231 K251 C252 K253	C224-H249 WeakPolarHBondContact CB-ND1 3.34Å; C224-H249 PolarHBondContact SG-N 3.13Å; C224-H249 VanDerWaalsContact SG-N 3.43Å; C227-H249 VanDerWaalsContact SG-CE1 3.58Å; C227-H249 PolarHBondContact SG-ND1 2.87Å; G229-H249 PolarHBondContact O-CE1 2.85Å; L231-H249 WeakPolarHBondContact CD2-CD2 3.19Å; L231-H249 WeakPolarHBondContact CD2-NE2 3.36Å; H249-K251 VanDerWaalsContact C-N 3.32Å; H249-K251 HydrophobicContact CB-CG 3.91Å; H249-K251 PolarHBondContact O-N 2.9Å; H249-C252 HydrophobicContact CB-CB 4.24Å; H249-C252 WeakPolarHBondContact O-CA 3.32Å; H249-C252 WeakPolarHBondContact O-CB 3.29Å; H249-C252 PolarHBondContact O-N 2.77Å; H249-K253 PolarHBondContact O-N 2.76Å
250	E	88.9	Confident	83.6	Confident	118 Å²	118	48.6 Å²	48.6	55%	0.551	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-48.1	-53.9	169.8	-162.6	63	-135.1	0	0	111.5	L239 C252 K253	L239-E250 WeakPolarHBondContact CD1-OE2 3.49Å; L239-E250 WeakPolarHBondContact CD2-OE2 3.31Å; L239-E250 WeakPolarHBondContact CG-OE2 3.47Å; E250-C252 PolarHBondContact O-N 2.83Å; E250-K253 VanDerWaalsContact O-CB 3.24Å; E250-K253 WeakPolarHBondContact O-CB 3.16Å; E250-K253 PolarHBondContact O-N 3.07Å; E250-K253 VanDerWaalsContact O-N 3.1Å
251	K	88.6	Confident	83.1	Confident	166 Å²	166	46 Å²	46	72%	0.722	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-62.2	-6.6	176.8	69.6	173.5	-175.6	176.2	0	115.9	H249	H249-K251 VanDerWaalsContact C-N 3.32Å; H249-K251 HydrophobicContact CB-CG 3.91Å; H249-K251 PolarHBondContact O-N 2.9Å
252	C	85.3	Confident	82.5	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.027	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-110.6	-6.2	-179.3	-66.8	0	0	0	0	112.9	C224 E226 C248 H249 E250 D254 L255	C224-C252 VanDerWaalsContact SG-SG 3.66Å; E226-C252 HydrophobicContact CB-CB 3.93Å; C248-C252 HydrophobicContact CB-CB 4.08Å; H249-C252 HydrophobicContact CB-CB 4.24Å; H249-C252 WeakPolarHBondContact O-CA 3.32Å; H249-C252 WeakPolarHBondContact O-CB 3.29Å; H249-C252 PolarHBondContact O-N 2.77Å; E250-C252 PolarHBondContact O-N 2.83Å; C252-D254 PolarHBondContact O-N 3.28Å; C252-L255 PolarHBondContact O-N 3.03Å
253	K	84.6	Confident	82	Confident	81 Å²	81	48.4 Å²	48.4	35%	0.352	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-54.3	-51.6	-177.8	173.3	-174.1	156.7	-160.1	0	112.5	F213 L239 H249 E250 L255	F213-K253 HydrophobicContact CD2-CD 4.19Å; F213-K253 HydrophobicContact CD2-CG 3.69Å; F213-K253 HydrophobicContact CE2-CG 3.76Å; L239-K253 HydrophobicContact CD1-CB 4.04Å; L239-K253 HydrophobicContact CD1-CD 3.97Å; L239-K253 HydrophobicContact CD1-CG 4.23Å; H249-K253 PolarHBondContact O-N 2.76Å; E250-K253 VanDerWaalsContact O-CB 3.24Å; E250-K253 WeakPolarHBondContact O-CB 3.16Å; E250-K253 PolarHBondContact O-N 3.07Å; E250-K253 VanDerWaalsContact O-N 3.1Å; K253-L255 VanDerWaalsContact C-N 3.27Å; K253-L255 PolarHBondContact O-N 3.35Å
254	D	80.7	Confident	81.9	Confident	139 Å²	139	44.9 Å²	44.9	74%	0.743	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-83.8	-3.5	-170.1	-49.8	-47.7	0	0	0	113	C252	C252-D254 PolarHBondContact O-N 3.28Å
255	L	77.5	Confident	81.6	Confident	113 Å²	113	45 Å²	45	59%	0.592	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-89.6	-2.5	175.6	-62.8	175	0	0	0	113	E226 C252 K253 S257	E226-L255 HydrophobicContact CG-CB 3.82Å; E226-L255 HydrophobicContact CG-CD1 4.32Å; C252-L255 PolarHBondContact O-N 3.03Å; K253-L255 VanDerWaalsContact C-N 3.27Å; K253-L255 PolarHBondContact O-N 3.35Å; L255-S257 PolarHBondContact O-N 2.85Å
256	L	74	Confident	80.8	Confident	20 Å²	20	45.1 Å²	45.1	11%	0.105	22%	0.224	C	C	.	.			trans	-83.6	91	-171.6	-68.6	170.1	0	0	0	113.3	F213 Y225 E226 V246 C248 A258	F213-L256 HydrophobicContact CE1-CD1 4.48Å; F213-L256 HydrophobicContact CE2-CD1 4.04Å; F213-L256 HydrophobicContact CZ-CD1 3.46Å; F213-L256 VanDerWaalsContact CZ-CD1 3.46Å; Y225-L256 HydrophobicContact CD1-CD2 3.5Å; Y225-L256 HydrophobicContact CE1-CD2 4.21Å; Y225-L256 HydrophobicContact CG-CD2 4.44Å; E226-L256 HydrophobicContact CB-CD2 4.21Å; V246-L256 HydrophobicContact CG1-CD1 4.4Å; V246-L256 HydrophobicContact CG2-CD1 4.44Å; V246-L256 HydrophobicContact CG2-CD2 4.42Å; C248-L256 HydrophobicContact CB-CD1 4.2Å; L256-A258 PolarHBondContact O-N 2.9Å
257	S	65.6	Low	80.1	Confident	52 Å²	52	48.3 Å²	48.3	36%	0.364	24%	0.238	S	C	.	.			trans	-62.2	10.5	178.1	68.4	0	0	0	0	118.1	L255 R381 E415 R417	L255-S257 PolarHBondContact O-N 2.85Å; S257-R381 PolarHBondContact OG-NH2 3.19Å; S257-E415 PolarHBondContact OG-OE1 3.33Å; S257-R417 PolarHBondContact O-NH2 2.8Å
258	A	67.5	Low	79.1	Confident	11 Å²	11	46 Å²	46	9%	0.091	23%	0.23	C	C	.	.	S	Bend	trans	-115	127.3	-165.2	0	0	0	0	0	113.1	H211 L256	H211-A258 PolarHBondContact CE1-O 2.82Å; H211-A258 PolarHBondContact NE2-O 3.02Å; L256-A258 PolarHBondContact O-N 2.9Å
259	D	77.3	Confident	77.8	Confident	12 Å²	12	49.9 Å²	49.9	6%	0.064	25%	0.251	C	S	.	.			trans	-60.6	133.1	-178.1	178.8	50.2	0	0	0	113	Y203 V209 L261 Q262 R263	Y203-D259 PolarHBondContact OH-OD2 3.31Å; V209-D259 WeakPolarHBondContact CB-OD1 3.21Å; V209-D259 PolarHBondContact N-OD1 2.64Å; D259-L261 PolarHBondContact OD2-N 3.02Å; D259-Q262 HydrophobicContact CB-CB 4.16Å; D259-Q262 WeakPolarHBondContact OD2-CB 3.22Å; D259-Q262 PolarHBondContact OD2-N 2.6Å; D259-R263 WeakPolarHBondContact O-CG 3.46Å; D259-R263 PolarHBondContact O-N 3.46Å
260	C	83.6	Confident	76.5	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.02	27%	0.271	C	S	.	.	H	α-helix	trans	-70.4	-37.5	-176.7	-172.2	0	0	0	0	112.9	V209 A264	V209-C260 HydrophobicContact CB-CB 4.27Å; V209-C260 HydrophobicContact CG1-CB 4.25Å; V209-C260 WeakPolarHBondContact O-CB 3.3Å; V209-C260 PolarHBondContact O-N 3.06Å; C260-A264 WeakPolarHBondContact O-CB 3.33Å; C260-A264 PolarHBondContact O-N 3.35Å; C260-A264 VanDerWaalsContact O-N 3.08Å
261	L	83.2	Confident	75.1	Confident	30 Å²	30	54.7 Å²	54.7	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-48.2	179.4	-70.5	-179.1	0	0	0	111.6	V209 D259 R263 A264 A265 I281 A284 M285	V209-L261 HydrophobicContact CB-CG 4.13Å; V209-L261 HydrophobicContact CG1-CG 4.23Å; V209-L261 HydrophobicContact CG2-CD1 3.68Å; V209-L261 HydrophobicContact CG2-CG 3.79Å; D259-L261 PolarHBondContact OD2-N 3.02Å; L261-R263 VanDerWaalsContact C-N 3.32Å; L261-R263 PolarHBondContact O-N 3.36Å; L261-A264 WeakPolarHBondContact O-CB 3.27Å; L261-A264 PolarHBondContact O-N 2.75Å; L261-A265 PolarHBondContact O-N 2.91Å; L261-I281 HydrophobicContact CB-CG2 4.36Å; L261-I281 HydrophobicContact CD2-CG2 4.31Å; L261-I281 WeakPolarHBondContact O-CG2 3.19Å; L261-A284 HydrophobicContact CD1-CB 4.12Å; L261-A284 HydrophobicContact CD2-CB 4.4Å; L261-M285 HydrophobicContact CB-CG 4.1Å; L261-M285 HydrophobicContact CD1-CG 4.25Å
262	Q	78.1	Confident	73.2	Confident	35 Å²	35	53.6 Å²	53.6	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-57	-46.5	179.5	-164.2	-171.6	-39.2	0	0	111.1	D259 A264 A265 E266 M285	D259-Q262 HydrophobicContact CB-CB 4.16Å; D259-Q262 WeakPolarHBondContact OD2-CB 3.22Å; D259-Q262 PolarHBondContact OD2-N 2.6Å; Q262-A264 VanDerWaalsContact C-N 3.31Å; Q262-A264 PolarHBondContact O-N 2.98Å; Q262-A265 PolarHBondContact O-N 3.33Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.2Å; Q262-E266 PolarHBondContact NE2-OE1 3.14Å; Q262-E266 VanDerWaalsContact O-CG 3.28Å; Q262-E266 WeakPolarHBondContact O-CG 3.18Å; Q262-E266 PolarHBondContact O-N 3.08Å; Q262-M285 HydrophobicContact CG-CE 4.5Å
263	R	77.4	Confident	71.7	Confident	37 Å²	37	57.2 Å²	57.2	14%	0.14	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-30.9	175.5	-70.5	-176.4	70	158.4	12.2	113.9	Y225 C244 V246 D259 L261 K267	Y225-R263 VanDerWaalsContact CE2-NH2 3.3Å; C244-R263 HydrophobicContact CB-CB 3.65Å; V246-R263 VanDerWaalsContact CG2-NH1 3.27Å; D259-R263 WeakPolarHBondContact O-CG 3.46Å; D259-R263 PolarHBondContact O-N 3.46Å; L261-R263 VanDerWaalsContact C-N 3.32Å; L261-R263 PolarHBondContact O-N 3.36Å; R263-K267 WeakPolarHBondContact O-CB 3.4Å; R263-K267 PolarHBondContact O-N 3.2Å
264	A	81	Confident	70.4	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	32%	0.315	C	S	.	.	H	α-helix	trans	-69.5	-41.4	175.8	0	0	0	0	0	111.1	C244 C260 L261 Q262 K267 S268 I281	C244-A264 HydrophobicContact CB-CB 4.29Å; C260-A264 WeakPolarHBondContact O-CB 3.33Å; C260-A264 PolarHBondContact O-N 3.35Å; C260-A264 VanDerWaalsContact O-N 3.08Å; L261-A264 WeakPolarHBondContact O-CB 3.27Å; L261-A264 PolarHBondContact O-N 2.75Å; Q262-A264 VanDerWaalsContact C-N 3.31Å; Q262-A264 PolarHBondContact O-N 2.98Å; A264-K267 PolarHBondContact O-N 3.45Å; A264-S268 PolarHBondContact O-N 2.84Å; A264-S268 PolarHBondContact O-OG 2.96Å; A264-I281 HydrophobicContact CB-CD1 3.64Å; A264-I281 HydrophobicContact CB-CG1 4.34Å; A264-I281 HydrophobicContact CB-CG2 4.45Å
265	A	76.7	Confident	69.5	Low	7 Å²	7	50.2 Å²	50.2	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-44.7	175.3	0	0	0	0	0	112.6	L261 Q262 K267 S268 N269 I281 M285	L261-A265 PolarHBondContact O-N 2.91Å; Q262-A265 PolarHBondContact O-N 3.33Å; A265-K267 PolarHBondContact O-N 3.32Å; A265-S268 PolarHBondContact O-N 3.48Å; A265-S268 PolarHBondContact O-OG 3.09Å; A265-S268 VanDerWaalsContact O-OG 3.09Å; A265-N269 PolarHBondContact O-N 3.09Å; A265-I281 HydrophobicContact CB-CG2 3.84Å; A265-M285 HydrophobicContact CB-SD 4.31Å
266	E	70.4	Confident	69.1	Low	14 Å²	14	52 Å²	52	7%	0.065	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-34.2	177.3	-70.5	166.6	-178.8	0	0	112.4	Q262 T329 T379	Q262-E266 WeakPolarHBondContact CG-OE1 3.2Å; Q262-E266 PolarHBondContact NE2-OE1 3.14Å; Q262-E266 VanDerWaalsContact O-CG 3.28Å; Q262-E266 WeakPolarHBondContact O-CG 3.18Å; Q262-E266 PolarHBondContact O-N 3.08Å; E266-T329 WeakPolarHBondContact CG-OG1 3.11Å; E266-T329 WeakPolarHBondContact OE1-CG2 3.4Å; E266-T379 WeakPolarHBondContact OE1-CG2 3.31Å; E266-T379 WeakPolarHBondContact OE2-CG2 3.48Å; E266-T379 PolarHBondContact OE2-OG1 2.71Å
267	K	72.1	Confident	69.1	Low	72 Å²	72	57 Å²	57	31%	0.313	33%	0.333	S	S	.	.	H	α-helix	trans	-77.2	-40	176.9	-175.5	177.5	-179.7	-175.2	0	112.8	C244 R263 A264 A265 N269 K270	C244-K267 WeakPolarHBondContact O-CD 3.03Å; C244-K267 PolarHBondContact O-NZ 2.84Å; R263-K267 WeakPolarHBondContact O-CB 3.4Å; R263-K267 PolarHBondContact O-N 3.2Å; A264-K267 PolarHBondContact O-N 3.45Å; A265-K267 PolarHBondContact O-N 3.32Å; K267-N269 VanDerWaalsContact C-N 3.28Å; K267-N269 PolarHBondContact O-N 3.46Å; K267-K270 PolarHBondContact O-N 3.02Å; K267-K270 VanDerWaalsContact O-N 3.12Å
268	S	69.4	Low	69.4	Low	15 Å²	15	55.2 Å²	55.2	11%	0.105	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-30.1	178.8	66.7	0	0	0	0	111.9	A264 A265 K270 H271 T278	A264-S268 PolarHBondContact O-N 2.84Å; A264-S268 PolarHBondContact O-OG 2.96Å; A265-S268 PolarHBondContact O-N 3.48Å; A265-S268 PolarHBondContact O-OG 3.09Å; A265-S268 VanDerWaalsContact O-OG 3.09Å; S268-K270 VanDerWaalsContact C-N 3.26Å; S268-K270 PolarHBondContact O-N 2.87Å; S268-H271 PolarHBondContact O-N 3.36Å; S268-T278 WeakPolarHBondContact CB-OG1 3.44Å; S268-T278 WeakPolarHBondContact OG-CA 3.38Å; S268-T278 WeakPolarHBondContact OG-CB 3.27Å; S268-T278 PolarHBondContact OG-OG1 3.14Å
269	N	63.3	Low	69.9	Low	82 Å²	82	60.3 Å²	60.3	44%	0.439	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.7	169.8	-75.5	-16.6	0	0	0	114.4	A265 K267 T278	A265-N269 PolarHBondContact O-N 3.09Å; K267-N269 VanDerWaalsContact C-N 3.28Å; K267-N269 PolarHBondContact O-N 3.46Å; N269-T278 WeakPolarHBondContact OD1-CG2 3.45Å
270	K	61.5	Low	70.2	Confident	133 Å²	133	63.5 Å²	63.5	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	1.9	179.4	-70.6	178.1	-179.2	178.8	0	113.9	K267 S268	K267-K270 PolarHBondContact O-N 3.02Å; K267-K270 VanDerWaalsContact O-N 3.12Å; S268-K270 VanDerWaalsContact C-N 3.26Å; S268-K270 PolarHBondContact O-N 2.87Å
271	H	59.3	Low	70.1	Confident	116 Å²	116	64 Å²	64	54%	0.537	37%	0.368	S	S	.	.	S	Bend	trans	-126.2	111.5	-178.9	-66.1	-22.4	0	0	0	110.4	S268 G273 G274	S268-H271 PolarHBondContact O-N 3.36Å; H271-G273 PolarHBondContact O-N 2.9Å; H271-G274 PolarHBondContact O-N 3.23Å; H271-G274 VanDerWaalsContact O-N 3.12Å
272	S	49.5	Very low	70	Confident	143 Å²	143	64.1 Å²	64.1	100%	1	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	19.9	-167.6	-36.3	0	0	0	0	116.9
273	G	54.1	Low	70.4	Confident	80 Å²	80	64.5 Å²	64.5	83%	0.825	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.3	19.5	177.5	0	0	0	0	0	113.5	H271	H271-G273 PolarHBondContact O-N 2.9Å
274	G	56.9	Low	70.9	Confident	21 Å²	21	64.7 Å²	64.7	22%	0.216	38%	0.383	C	S	.	.			trans	-96.8	12	-173.7	0	0	0	0	0	116.8	H271 D276 R277 T278	H271-G274 PolarHBondContact O-N 3.23Å; H271-G274 VanDerWaalsContact O-N 3.12Å; G274-D276 PolarHBondContact O-N 3.28Å; G274-R277 PolarHBondContact O-N 3.29Å; G274-T278 PolarHBondContact O-N 3.39Å; G274-T278 PolarHBondContact O-OG1 2.95Å
275	G	61.1	Low	71.1	Confident	52 Å²	52	64.5 Å²	64.5	54%	0.536	38%	0.382	S	S	.	.	H	α-helix	trans	-47.1	-53.8	-165.6	0	0	0	0	0	115.4	R277 T278 H279	G275-R277 VanDerWaalsContact C-N 3.35Å; G275-R277 PolarHBondContact O-N 3.4Å; G275-T278 WeakPolarHBondContact O-CB 3.27Å; G275-T278 PolarHBondContact O-N 3.37Å; G275-H279 PolarHBondContact O-N 3.29Å
276	D	69.2	Low	71.7	Confident	150 Å²	150	68.3 Å²	68.3	80%	0.802	40%	0.397	S	S	*	.	H	α-helix	trans	-64.1	-37.5	-178.1	-63.9	-24.3	0	0	0	112.8	G274 H279 S280	G274-D276 PolarHBondContact O-N 3.28Å; D276-H279 PolarHBondContact O-N 3.14Å; D276-S280 WeakPolarHBondContact O-CB 3.35Å; D276-S280 PolarHBondContact O-N 2.91Å
277	R	73.2	Confident	72.7	Confident	126 Å²	126	71.2 Å²	71.2	48%	0.475	41%	0.413	S	S	.	.	H	α-helix	trans	-70.2	-40.8	177.6	-165.8	174.2	-173.8	176.5	2.5	110.8	S242 E243 G274 G275 H279 S280 I281	S242-R277 PolarHBondContact O-NH2 3.04Å; E243-R277 IonicContact OE2-CZ 3.76Å; E243-R277 IonicContact OE2-NH2 2.95Å; E243-R277 PolarHBondContact OE2-NH2 2.84Å; G274-R277 PolarHBondContact O-N 3.29Å; G275-R277 VanDerWaalsContact C-N 3.35Å; G275-R277 PolarHBondContact O-N 3.4Å; R277-H279 VanDerWaalsContact C-N 3.33Å; R277-H279 PolarHBondContact O-N 3.27Å; R277-S280 PolarHBondContact O-N 2.93Å; R277-I281 HydrophobicContact CG-CD1 4.07Å; R277-I281 WeakPolarHBondContact O-CD1 3.49Å; R277-I281 VanDerWaalsContact O-CG1 3.27Å; R277-I281 WeakPolarHBondContact O-CG1 3.49Å; R277-I281 PolarHBondContact O-N 3.37Å
278	T	73.2	Confident	73.5	Confident	15 Å²	15	71.6 Å²	71.6	9%	0.092	41%	0.412	C	S	.	.	H	α-helix	trans	-57.7	-47.1	171.5	-54.3	0	0	0	0	110.7	S268 N269 G274 G275 S280 I281 I282	S268-T278 WeakPolarHBondContact CB-OG1 3.44Å; S268-T278 WeakPolarHBondContact OG-CA 3.38Å; S268-T278 WeakPolarHBondContact OG-CB 3.27Å; S268-T278 PolarHBondContact OG-OG1 3.14Å; N269-T278 WeakPolarHBondContact OD1-CG2 3.45Å; G274-T278 PolarHBondContact O-N 3.39Å; G274-T278 PolarHBondContact O-OG1 2.95Å; G275-T278 WeakPolarHBondContact O-CB 3.27Å; G275-T278 PolarHBondContact O-N 3.37Å; T278-S280 PolarHBondContact O-N 3.44Å; T278-I281 PolarHBondContact O-N 3.5Å; T278-I282 HydrophobicContact CG2-CD1 3.8Å; T278-I282 HydrophobicContact CG2-CG1 4.43Å; T278-I282 WeakPolarHBondContact O-CB 3.27Å; T278-I282 WeakPolarHBondContact O-CG1 3.23Å; T278-I282 PolarHBondContact O-N 3.21Å
279	H	77.5	Confident	74.5	Confident	117 Å²	117	71 Å²	71	54%	0.542	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-43.9	179.7	-169.9	-87.5	0	0	0	112.1	G275 D276 R277 I281 I282 C283	G275-H279 PolarHBondContact O-N 3.29Å; D276-H279 PolarHBondContact O-N 3.14Å; R277-H279 VanDerWaalsContact C-N 3.33Å; R277-H279 PolarHBondContact O-N 3.27Å; H279-I281 PolarHBondContact O-N 2.94Å; H279-I282 PolarHBondContact O-N 2.81Å; H279-C283 VanDerWaalsContact CE1-SG 3.56Å; H279-C283 PolarHBondContact O-N 3.14Å; H279-C283 PolarHBondContact O-SG 3.35Å
280	S	83.3	Confident	75.9	Confident	79 Å²	79	71.9 Å²	71.9	55%	0.552	41%	0.408	S	S	*	.	H	α-helix	trans	-60.2	-43.5	176.1	-173.9	0	0	0	0	112.9	D276 R277 T278 C283 A284	D276-S280 WeakPolarHBondContact O-CB 3.35Å; D276-S280 PolarHBondContact O-N 2.91Å; R277-S280 PolarHBondContact O-N 2.93Å; T278-S280 PolarHBondContact O-N 3.44Å; S280-C283 WeakPolarHBondContact O-CB 3.34Å; S280-C283 PolarHBondContact O-N 3.45Å; S280-A284 PolarHBondContact O-N 3.46Å
281	I	81.6	Confident	77.2	Confident	14 Å²	14	70 Å²	70	7%	0.072	40%	0.403	C	S	.	.	H	α-helix	trans	-66.7	-42.5	176.9	-62.2	158.2	0	0	0	110.9	L261 A264 A265 R277 T278 H279 C283 A284 M285	L261-I281 HydrophobicContact CB-CG2 4.36Å; L261-I281 HydrophobicContact CD2-CG2 4.31Å; L261-I281 WeakPolarHBondContact O-CG2 3.19Å; A264-I281 HydrophobicContact CB-CD1 3.64Å; A264-I281 HydrophobicContact CB-CG1 4.34Å; A264-I281 HydrophobicContact CB-CG2 4.45Å; A265-I281 HydrophobicContact CB-CG2 3.84Å; R277-I281 HydrophobicContact CG-CD1 4.07Å; R277-I281 WeakPolarHBondContact O-CD1 3.49Å; R277-I281 VanDerWaalsContact O-CG1 3.27Å; R277-I281 WeakPolarHBondContact O-CG1 3.49Å; R277-I281 PolarHBondContact O-N 3.37Å; T278-I281 PolarHBondContact O-N 3.5Å; H279-I281 PolarHBondContact O-N 2.94Å; I281-C283 VanDerWaalsContact C-N 3.3Å; I281-C283 PolarHBondContact O-N 2.92Å; I281-A284 PolarHBondContact O-N 3.07Å; I281-M285 HydrophobicContact CG2-SD 4.32Å; I281-M285 WeakPolarHBondContact O-CG 3.48Å; I281-M285 PolarHBondContact O-N 3.45Å
282	I	81.8	Confident	78.8	Confident	33 Å²	33	65.7 Å²	65.7	17%	0.169	38%	0.383	C	S	.	.	H	α-helix	trans	-60.5	-38.6	175	-76.3	175.7	0	0	0	111.3	T278 H279 M285 K286 L326	T278-I282 HydrophobicContact CG2-CD1 3.8Å; T278-I282 HydrophobicContact CG2-CG1 4.43Å; T278-I282 WeakPolarHBondContact O-CB 3.27Å; T278-I282 WeakPolarHBondContact O-CG1 3.23Å; T278-I282 PolarHBondContact O-N 3.21Å; H279-I282 PolarHBondContact O-N 2.81Å; I282-M285 PolarHBondContact O-N 2.78Å; I282-K286 HydrophobicContact CG2-CD 4.22Å; I282-K286 WeakPolarHBondContact O-CB 3.31Å; I282-K286 VanDerWaalsContact O-CG 3.3Å; I282-K286 WeakPolarHBondContact O-CG 3.43Å; I282-K286 PolarHBondContact O-N 2.91Å; I282-L326 HydrophobicContact CG2-CD2 4.24Å
283	C	86.3	Confident	80.7	Confident	43 Å²	43	61.9 Å²	61.9	29%	0.291	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-48.5	172.2	-78.8	0	0	0	0	111.8	H279 S280 I281 M285 K286 D287	H279-C283 VanDerWaalsContact CE1-SG 3.56Å; H279-C283 PolarHBondContact O-N 3.14Å; H279-C283 PolarHBondContact O-SG 3.35Å; S280-C283 WeakPolarHBondContact O-CB 3.34Å; S280-C283 PolarHBondContact O-N 3.45Å; I281-C283 VanDerWaalsContact C-N 3.3Å; I281-C283 PolarHBondContact O-N 2.92Å; C283-M285 VanDerWaalsContact C-N 3.32Å; C283-M285 PolarHBondContact O-N 2.63Å; C283-K286 WeakPolarHBondContact O-CB 3.48Å; C283-K286 PolarHBondContact O-N 2.77Å; C283-K286 VanDerWaalsContact O-N 3.15Å; C283-D287 PolarHBondContact O-N 2.89Å
284	A	86.9	Confident	82.5	Confident	40 Å²	40	67.3 Å²	67.3	33%	0.331	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-40.8	176.7	0	0	0	0	0	112.7	L261 S280 I281 D287 R288	L261-A284 HydrophobicContact CD1-CB 4.12Å; L261-A284 HydrophobicContact CD2-CB 4.4Å; S280-A284 PolarHBondContact O-N 3.46Å; I281-A284 PolarHBondContact O-N 3.07Å; A284-D287 PolarHBondContact O-N 3.16Å; A284-R288 WeakPolarHBondContact O-CG 3.16Å; A284-R288 PolarHBondContact O-N 3.06Å
285	M	86.7	Confident	84.1	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.015	36%	0.364	C	S	.	.	H	α-helix	trans	-65	-43	174.5	-68.1	177.3	75.6	0	0	112.2	Y203 L261 Q262 A265 I281 I282 C283 D287 R288 M289 I325 L326	Y203-M285 HydrophobicContact CE2-CE 4.5Å; Y203-M285 HydrophobicContact CE2-CG 4.47Å; L261-M285 HydrophobicContact CB-CG 4.1Å; L261-M285 HydrophobicContact CD1-CG 4.25Å; Q262-M285 HydrophobicContact CG-CE 4.5Å; A265-M285 HydrophobicContact CB-SD 4.31Å; I281-M285 HydrophobicContact CG2-SD 4.32Å; I281-M285 WeakPolarHBondContact O-CG 3.48Å; I281-M285 PolarHBondContact O-N 3.45Å; I282-M285 PolarHBondContact O-N 2.78Å; C283-M285 VanDerWaalsContact C-N 3.32Å; C283-M285 PolarHBondContact O-N 2.63Å; M285-D287 VanDerWaalsContact C-N 3.32Å; M285-D287 PolarHBondContact O-N 3.32Å; M285-R288 PolarHBondContact O-N 2.82Å; M285-M289 HydrophobicContact CB-CE 4.1Å; M285-M289 WeakPolarHBondContact O-CE 3.14Å; M285-M289 PolarHBondContact O-N 2.88Å; M285-M289 VanDerWaalsContact O-N 3.1Å; M285-I325 HydrophobicContact CE-CG2 4.02Å; M285-L326 HydrophobicContact CB-CD2 3.75Å
286	K	89.4	Confident	85.5	Confident	87 Å²	87	72.3 Å²	72.3	38%	0.378	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-43.4	174.5	-78.1	172	-177.1	174.8	0	111.7	I282 C283 M289 K290 L326	I282-K286 HydrophobicContact CG2-CD 4.22Å; I282-K286 WeakPolarHBondContact O-CB 3.31Å; I282-K286 VanDerWaalsContact O-CG 3.3Å; I282-K286 WeakPolarHBondContact O-CG 3.43Å; I282-K286 PolarHBondContact O-N 2.91Å; C283-K286 WeakPolarHBondContact O-CB 3.48Å; C283-K286 PolarHBondContact O-N 2.77Å; C283-K286 VanDerWaalsContact O-N 3.15Å; K286-M289 PolarHBondContact O-N 2.79Å; K286-K290 WeakPolarHBondContact O-CG 3.13Å; K286-K290 PolarHBondContact O-N 2.88Å; K286-L326 HydrophobicContact CD-CD1 4.2Å; K286-L326 VanDerWaalsContact CE-CD1 3.46Å; K286-L326 HydrophobicContact CG-CD1 3.64Å; K286-L326 HydrophobicContact CG-CD2 3.88Å; K286-L326 HydrophobicContact CG-CG 4.4Å
287	D	90.3	Very high	86.5	Confident	75 Å²	75	67.4 Å²	67.4	40%	0.401	33%	0.332	S	S	.	.	H	α-helix	trans	-73.5	-35.7	-176.6	-67.4	-27.5	0	0	0	112.2	C283 A284 M285 M289 K290 I291	C283-D287 PolarHBondContact O-N 2.89Å; A284-D287 PolarHBondContact O-N 3.16Å; M285-D287 VanDerWaalsContact C-N 3.32Å; M285-D287 PolarHBondContact O-N 3.32Å; D287-M289 PolarHBondContact O-N 3.2Å; D287-K290 PolarHBondContact O-N 2.93Å; D287-K290 IonicContact OD1-NZ 2.79Å; D287-K290 PolarHBondContact OD1-NZ 2.85Å; D287-I291 VanDerWaalsContact O-CG1 3.31Å; D287-I291 WeakPolarHBondContact O-CG1 3.45Å; D287-I291 PolarHBondContact O-N 3.38Å
288	R	89.9	Confident	87.4	Confident	80 Å²	80	65.6 Å²	65.6	30%	0.302	33%	0.329	S	S	.	.	H	α-helix	trans	-58	-46.2	167.9	-71.4	-179.5	80.6	85.3	-7.9	112	Y203 V207 A284 M285 K290 I291 Q292	Y203-R288 HydrophobicContact CE2-CB 4.38Å; V207-R288 PolarHBondContact O-NH2 3.37Å; A284-R288 WeakPolarHBondContact O-CG 3.16Å; A284-R288 PolarHBondContact O-N 3.06Å; M285-R288 PolarHBondContact O-N 2.82Å; R288-K290 VanDerWaalsContact C-N 3.34Å; R288-K290 PolarHBondContact O-N 2.94Å; R288-I291 PolarHBondContact O-N 2.83Å; R288-Q292 WeakPolarHBondContact O-CB 3.39Å; R288-Q292 PolarHBondContact O-N 2.93Å
289	M	90.4	Very high	88.1	Confident	3 Å²	3	65 Å²	65	2%	0.015	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-36.8	177.4	-73.6	-177.1	-105.1	0	0	113	I202 Y203 M285 K286 D287 E293 K322 I325 L326	I202-M289 HydrophobicContact CG1-CB 4.13Å; I202-M289 HydrophobicContact CG1-CG 4.11Å; I202-M289 WeakPolarHBondContact O-CG 3.42Å; Y203-M289 HydrophobicContact CD2-CG 4.02Å; M285-M289 HydrophobicContact CB-CE 4.1Å; M285-M289 WeakPolarHBondContact O-CE 3.14Å; M285-M289 PolarHBondContact O-N 2.88Å; M285-M289 VanDerWaalsContact O-N 3.1Å; K286-M289 PolarHBondContact O-N 2.79Å; D287-M289 PolarHBondContact O-N 3.2Å; M289-E293 WeakPolarHBondContact O-CB 3.47Å; M289-E293 PolarHBondContact O-N 3.44Å; M289-K322 HydrophobicContact SD-CB 4.06Å; M289-K322 HydrophobicContact SD-CG 3.88Å; M289-I325 HydrophobicContact CE-CB 4.2Å; M289-I325 HydrophobicContact CE-CG2 3.68Å; M289-I325 HydrophobicContact SD-CB 4.23Å; M289-I325 HydrophobicContact SD-CD1 4.17Å; M289-I325 HydrophobicContact SD-CG2 4.09Å; M289-L326 HydrophobicContact CE-CD2 3.45Å; M289-L326 VanDerWaalsContact CE-CD2 3.45Å; M289-L326 HydrophobicContact CE-CG 3.84Å
290	K	91.3	Very high	88.7	Confident	100 Å²	100	59.7 Å²	59.7	44%	0.435	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-38.9	173.7	-69	170.8	-166.5	160.6	0	112.5	K286 D287 R288 R294	K286-K290 WeakPolarHBondContact O-CG 3.13Å; K286-K290 PolarHBondContact O-N 2.88Å; D287-K290 PolarHBondContact O-N 2.93Å; D287-K290 IonicContact OD1-NZ 2.79Å; D287-K290 PolarHBondContact OD1-NZ 2.85Å; R288-K290 VanDerWaalsContact C-N 3.34Å; R288-K290 PolarHBondContact O-N 2.94Å; K290-R294 WeakPolarHBondContact O-CB 2.99Å; K290-R294 WeakPolarHBondContact O-CD 3.17Å; K290-R294 VanDerWaalsContact O-CG 3.24Å; K290-R294 WeakPolarHBondContact O-CG 3.32Å; K290-R294 PolarHBondContact O-N 2.85Å; K290-R294 VanDerWaalsContact O-N 3.17Å
291	I	90.4	Very high	89	Confident	94 Å²	94	59.2 Å²	59.2	48%	0.482	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-46.2	177.1	-69	163.4	0	0	0	109.4	D287 R288 E293 R294 N295	D287-I291 VanDerWaalsContact O-CG1 3.31Å; D287-I291 WeakPolarHBondContact O-CG1 3.45Å; D287-I291 PolarHBondContact O-N 3.38Å; R288-I291 PolarHBondContact O-N 2.83Å; I291-E293 PolarHBondContact O-N 3.39Å; I291-R294 PolarHBondContact O-N 2.68Å; I291-N295 WeakPolarHBondContact CG2-ND2 3.22Å; I291-N295 VanDerWaalsContact O-CB 3.3Å; I291-N295 WeakPolarHBondContact O-CB 3.15Å; I291-N295 VanDerWaalsContact O-CG 3.26Å; I291-N295 PolarHBondContact O-N 2.75Å; I291-N295 PolarHBondContact O-OD1 2.91Å
292	Q	91.2	Very high	89.2	Confident	24 Å²	24	60.1 Å²	60.1	11%	0.112	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-45.7	178	-173.9	66.1	3.3	0	0	112.3	L201 R288 R294 N295 K296 F300	L201-Q292 WeakPolarHBondContact O-CG 3.37Å; L201-Q292 PolarHBondContact O-NE2 3.04Å; R288-Q292 WeakPolarHBondContact O-CB 3.39Å; R288-Q292 PolarHBondContact O-N 2.93Å; Q292-R294 VanDerWaalsContact C-N 3.29Å; Q292-R294 PolarHBondContact O-N 3.48Å; Q292-N295 PolarHBondContact O-N 3.17Å; Q292-K296 PolarHBondContact O-N 3.27Å; Q292-F300 HydrophobicContact CG-CZ 4.26Å
293	E	91	Very high	89.2	Confident	63 Å²	63	58.8 Å²	58.8	29%	0.294	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-34.2	175.7	-179.6	171.5	-129.6	0	0	113.7	I202 M289 I291 K322	I202-E293 HydrophobicContact CD1-CB 3.89Å; M289-E293 WeakPolarHBondContact O-CB 3.47Å; M289-E293 PolarHBondContact O-N 3.44Å; I291-E293 PolarHBondContact O-N 3.39Å; E293-K322 IonicContact OE1-NZ 3.71Å; E293-K322 PolarHBondContact OE1-NZ 3.17Å; E293-K322 IonicContact OE2-NZ 2.75Å; E293-K322 PolarHBondContact OE2-NZ 3.12Å
294	R	91.1	Very high	89.3	Confident	195 Å²	195	58.1 Å²	58.1	74%	0.736	28%	0.279	S	S	*	.	H	α-helix	trans	-80	-42.2	178.4	-73.8	171.3	178.8	-174.7	-2.1	112.7	K290 I291 Q292	K290-R294 WeakPolarHBondContact O-CB 2.99Å; K290-R294 WeakPolarHBondContact O-CD 3.17Å; K290-R294 VanDerWaalsContact O-CG 3.24Å; K290-R294 WeakPolarHBondContact O-CG 3.32Å; K290-R294 PolarHBondContact O-N 2.85Å; K290-R294 VanDerWaalsContact O-N 3.17Å; I291-R294 PolarHBondContact O-N 2.68Å; Q292-R294 VanDerWaalsContact C-N 3.29Å; Q292-R294 PolarHBondContact O-N 3.48Å
295	N	91.2	Very high	89.2	Confident	113 Å²	113	60 Å²	60	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-80.7	-22.5	-172.2	-70.4	10.4	0	0	0	113	I291 Q292	I291-N295 WeakPolarHBondContact CG2-ND2 3.22Å; I291-N295 VanDerWaalsContact O-CB 3.3Å; I291-N295 WeakPolarHBondContact O-CB 3.15Å; I291-N295 VanDerWaalsContact O-CG 3.26Å; I291-N295 PolarHBondContact O-N 2.75Å; I291-N295 PolarHBondContact O-OD1 2.91Å; Q292-N295 PolarHBondContact O-N 3.17Å
296	K	89.7	Confident	88.6	Confident	64 Å²	64	60.2 Å²	60.2	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	42.7	179.9	-57.5	-156.6	178.2	-168.1	0	112.8	Q292 E298 I299 F300 E479	Q292-K296 PolarHBondContact O-N 3.27Å; K296-E298 VanDerWaalsContact C-N 3.27Å; K296-E298 VanDerWaalsContact CA-OE1 3.27Å; K296-E298 WeakPolarHBondContact CA-OE1 3.33Å; K296-E298 PolarHBondContact O-N 3.32Å; K296-I299 HydrophobicContact CB-CB 4.41Å; K296-I299 HydrophobicContact CB-CD1 4.11Å; K296-I299 HydrophobicContact CB-CG1 4.29Å; K296-I299 HydrophobicContact CD-CD1 3.76Å; K296-I299 HydrophobicContact CG-CD1 4.49Å; K296-I299 WeakPolarHBondContact O-CB 3.44Å; K296-I299 PolarHBondContact O-N 3Å; K296-I299 VanDerWaalsContact O-N 3.14Å; K296-F300 WeakPolarHBondContact O-CD2 3.46Å; K296-E479 WeakPolarHBondContact CD-OE1 3.13Å; K296-E479 IonicContact NZ-OE1 2.73Å; K296-E479 PolarHBondContact NZ-OE1 2.99Å; K296-E479 IonicContact NZ-OE2 2.71Å; K296-E479 PolarHBondContact NZ-OE2 3.23Å
297	A	90.6	Very high	88	Confident	48 Å²	48	57 Å²	57	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-37.6	-173.5	0	0	0	0	0	112.5	I299 F300 E301	A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 3.42Å; A297-F300 PolarHBondContact O-N 3.07Å; A297-E301 PolarHBondContact O-N 3.12Å; A297-E301 VanDerWaalsContact O-N 3.08Å
298	E	90.9	Very high	87.5	Confident	88 Å²	88	57.8 Å²	57.8	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-59.2	-32.2	175.6	62.2	-68.1	155.1	0	0	113.5	K296 L302 N476	K296-E298 VanDerWaalsContact C-N 3.27Å; K296-E298 VanDerWaalsContact CA-OE1 3.27Å; K296-E298 WeakPolarHBondContact CA-OE1 3.33Å; K296-E298 PolarHBondContact O-N 3.32Å; E298-L302 VanDerWaalsContact O-CB 3.28Å; E298-L302 WeakPolarHBondContact O-CB 3.43Å; E298-L302 PolarHBondContact O-N 2.96Å; E298-N476 WeakPolarHBondContact CG-ND2 3.45Å
299	I	87.9	Confident	87.2	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-46.1	174.6	-66.4	-172.1	0	0	0	110.8	L201 K296 A297 E301 L302 I303 N476 E479 V480	L201-I299 HydrophobicContact CB-CG2 4.44Å; L201-I299 HydrophobicContact CD1-CG2 3.91Å; L201-I299 HydrophobicContact CD2-CG2 4.15Å; L201-I299 HydrophobicContact CG-CG2 4.39Å; K296-I299 HydrophobicContact CB-CB 4.41Å; K296-I299 HydrophobicContact CB-CD1 4.11Å; K296-I299 HydrophobicContact CB-CG1 4.29Å; K296-I299 HydrophobicContact CD-CD1 3.76Å; K296-I299 HydrophobicContact CG-CD1 4.49Å; K296-I299 WeakPolarHBondContact O-CB 3.44Å; K296-I299 PolarHBondContact O-N 3Å; K296-I299 VanDerWaalsContact O-N 3.14Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 3.42Å; I299-E301 VanDerWaalsContact C-N 3.3Å; I299-E301 PolarHBondContact O-N 2.86Å; I299-L302 WeakPolarHBondContact O-CB 3.49Å; I299-L302 PolarHBondContact O-N 2.99Å; I299-I303 HydrophobicContact CG2-CD1 4.29Å; I299-I303 VanDerWaalsContact O-CG1 3.3Å; I299-I303 WeakPolarHBondContact O-CG1 3.35Å; I299-I303 PolarHBondContact O-N 3.22Å; I299-N476 HydrophobicContact CG1-CB 4.19Å; I299-E479 HydrophobicContact CD1-CB 4.21Å; I299-E479 VanDerWaalsContact CD1-CD 3.47Å; I299-E479 HydrophobicContact CD1-CG 4.09Å; I299-E479 WeakPolarHBondContact CD1-OE2 3.21Å; I299-V480 HydrophobicContact CG2-CG2 3.66Å
300	F	91.5	Very high	87.1	Confident	6 Å²	6	58.9 Å²	58.9	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-66.9	-34.3	179.7	-60.6	-70.9	0	0	0	112.3	L201 I202 Q292 K296 A297 I303 R304 M318	L201-F300 HydrophobicContact CB-CE1 3.9Å; L201-F300 HydrophobicContact CB-CZ 4.23Å; L201-F300 WeakPolarHBondContact O-CZ 3.36Å; I202-F300 HydrophobicContact CB-CE1 4.09Å; I202-F300 HydrophobicContact CB-CZ 4.22Å; I202-F300 HydrophobicContact CD1-CE1 4.08Å; I202-F300 HydrophobicContact CD1-CE2 4.31Å; I202-F300 HydrophobicContact CD1-CZ 3.72Å; Q292-F300 HydrophobicContact CG-CZ 4.26Å; K296-F300 WeakPolarHBondContact O-CD2 3.46Å; A297-F300 PolarHBondContact O-N 3.07Å; F300-I303 HydrophobicContact CD1-CD1 4.32Å; F300-R304 WeakPolarHBondContact O-CB 3.34Å; F300-R304 PolarHBondContact O-N 2.82Å; F300-M318 HydrophobicContact CB-CE 4.14Å; F300-M318 HydrophobicContact CD1-CE 3.6Å; F300-M318 HydrophobicContact CE1-CE 4.22Å; F300-M318 HydrophobicContact CG-CE 3.91Å
301	E	89.9	Confident	87	Confident	70 Å²	70	61.1 Å²	61.1	33%	0.327	30%	0.304	S	S	.	.	H	α-helix	trans	-69.7	-37.7	172.7	-176	65.2	179.8	0	0	112.1	A297 I299 R304 N305	A297-E301 PolarHBondContact O-N 3.12Å; A297-E301 VanDerWaalsContact O-N 3.08Å; I299-E301 VanDerWaalsContact C-N 3.3Å; I299-E301 PolarHBondContact O-N 2.86Å; E301-R304 WeakPolarHBondContact O-CB 3.2Å; E301-R304 PolarHBondContact O-N 3.35Å; E301-R304 IonicContact OE1-CZ 2.64Å; E301-R304 IonicContact OE1-NE 3.81Å; E301-R304 IonicContact OE1-NH2 2.6Å; E301-R304 PolarHBondContact OE1-NH2 2.85Å; E301-R304 IonicContact OE2-CZ 3.89Å; E301-R304 IonicContact OE2-NE 3.87Å; E301-R304 PolarHBondContact OE2-NE 3.01Å; E301-R304 IonicContact OE2-NH2 2.88Å; E301-R304 PolarHBondContact OE2-NH2 3.35Å; E301-N305 WeakPolarHBondContact O-CB 3.35Å; E301-N305 VanDerWaalsContact O-CG 3.3Å; E301-N305 PolarHBondContact O-N 3.47Å; E301-N305 PolarHBondContact O-ND2 2.85Å; E301-N305 VanDerWaalsContact O-ND2 3.17Å
302	L	84.7	Confident	87	Confident	33 Å²	33	63.6 Å²	63.6	17%	0.173	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-50.9	171.8	175.6	62	0	0	0	111.1	L166 E298 I299 R304 N305 V306 N476 V480	L166-L302 HydrophobicContact CD2-CD1 4.46Å; L166-L302 HydrophobicContact CD2-CD2 4.21Å; L166-L302 HydrophobicContact CD2-CG 4.27Å; E298-L302 VanDerWaalsContact O-CB 3.28Å; E298-L302 WeakPolarHBondContact O-CB 3.43Å; E298-L302 PolarHBondContact O-N 2.96Å; I299-L302 WeakPolarHBondContact O-CB 3.49Å; I299-L302 PolarHBondContact O-N 2.99Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 3.34Å; L302-N305 PolarHBondContact O-N 2.94Å; L302-V306 HydrophobicContact CD1-CG2 4.01Å; L302-V306 HydrophobicContact CG-CG2 4.46Å; L302-V306 WeakPolarHBondContact O-CB 3.43Å; L302-V306 VanDerWaalsContact O-CG2 3.29Å; L302-V306 WeakPolarHBondContact O-CG2 3.42Å; L302-V306 PolarHBondContact O-N 3.04Å; L302-N476 HydrophobicContact CD2-CB 4.15Å; L302-V480 HydrophobicContact CD2-CG2 4.41Å
303	I	82.1	Confident	86.9	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-43.6	175.5	-56.6	162.5	0	0	0	110.3	Y194 A197 I198 L201 I299 F300 N305 F307 V480	Y194-I303 HydrophobicContact CD2-CG2 3.67Å; Y194-I303 HydrophobicContact CE2-CG2 3.78Å; A197-I303 HydrophobicContact CB-CD1 4.49Å; A197-I303 HydrophobicContact CB-CG2 4.19Å; I198-I303 HydrophobicContact CG1-CG2 4.48Å; L201-I303 HydrophobicContact CD1-CD1 3.43Å; L201-I303 VanDerWaalsContact CD1-CD1 3.43Å; L201-I303 HydrophobicContact CD1-CG1 4.24Å; I299-I303 HydrophobicContact CG2-CD1 4.29Å; I299-I303 VanDerWaalsContact O-CG1 3.3Å; I299-I303 WeakPolarHBondContact O-CG1 3.35Å; I299-I303 PolarHBondContact O-N 3.22Å; F300-I303 HydrophobicContact CD1-CD1 4.32Å; I303-N305 PolarHBondContact O-N 2.83Å; I303-F307 HydrophobicContact CG2-CD2 3.93Å; I303-F307 HydrophobicContact CG2-CE2 4.22Å; I303-F307 WeakPolarHBondContact O-CB 3.46Å; I303-F307 WeakPolarHBondContact O-CD2 3.01Å; I303-F307 PolarHBondContact O-N 3.3Å; I303-V480 HydrophobicContact CG1-CG1 4.47Å; I303-V480 HydrophobicContact CG1-CG2 4.2Å
304	R	88.9	Confident	86.9	Confident	30 Å²	30	62.9 Å²	62.9	11%	0.113	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-46.1	178	-168.8	-168.5	67.9	64.4	4.3	111.8	F300 E301 L302 S308 I309 H314	F300-R304 WeakPolarHBondContact O-CB 3.34Å; F300-R304 PolarHBondContact O-N 2.82Å; E301-R304 WeakPolarHBondContact O-CB 3.2Å; E301-R304 PolarHBondContact O-N 3.35Å; E301-R304 IonicContact OE1-CZ 2.64Å; E301-R304 IonicContact OE1-NE 3.81Å; E301-R304 IonicContact OE1-NH2 2.6Å; E301-R304 PolarHBondContact OE1-NH2 2.85Å; E301-R304 IonicContact OE2-CZ 3.89Å; E301-R304 IonicContact OE2-NE 3.87Å; E301-R304 PolarHBondContact OE2-NE 3.01Å; E301-R304 IonicContact OE2-NH2 2.88Å; E301-R304 PolarHBondContact OE2-NH2 3.35Å; L302-R304 VanDerWaalsContact C-N 3.28Å; L302-R304 PolarHBondContact O-N 3.34Å; R304-S308 PolarHBondContact O-N 2.93Å; R304-I309 HydrophobicContact CG-CB 4.31Å; R304-I309 WeakPolarHBondContact CG-O 3.37Å; R304-I309 PolarHBondContact NH1-O 3.06Å; R304-I309 PolarHBondContact O-N 3.5Å; R304-H314 HydrophobicContact CG-CB 3.97Å
305	N	83.9	Confident	86.9	Confident	79 Å²	79	59.9 Å²	59.9	42%	0.422	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-46.4	-179.4	-72.3	-32.5	0	0	0	112.2	E301 L302 I303 F307 S308	E301-N305 WeakPolarHBondContact O-CB 3.35Å; E301-N305 VanDerWaalsContact O-CG 3.3Å; E301-N305 PolarHBondContact O-N 3.47Å; E301-N305 PolarHBondContact O-ND2 2.85Å; E301-N305 VanDerWaalsContact O-ND2 3.17Å; L302-N305 PolarHBondContact O-N 2.94Å; I303-N305 PolarHBondContact O-N 2.83Å; N305-F307 VanDerWaalsContact C-N 3.34Å; N305-F307 PolarHBondContact O-N 3.17Å; N305-S308 WeakPolarHBondContact O-CA 3.46Å; N305-S308 PolarHBondContact O-N 3.41Å
306	V	73.7	Confident	86.8	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-58.4	-44	177.3	167.8	0	0	0	0	112	L166 L302 S308	L166-V306 HydrophobicContact CB-CB 4.3Å; L166-V306 HydrophobicContact CB-CG1 3.78Å; L166-V306 HydrophobicContact CB-CG2 3.48Å; L166-V306 VanDerWaalsContact CB-CG2 3.48Å; L166-V306 HydrophobicContact CD2-CG2 3.86Å; L166-V306 HydrophobicContact CG-CG2 4.21Å; L302-V306 HydrophobicContact CD1-CG2 4.01Å; L302-V306 HydrophobicContact CG-CG2 4.46Å; L302-V306 WeakPolarHBondContact O-CB 3.43Å; L302-V306 VanDerWaalsContact O-CG2 3.29Å; L302-V306 WeakPolarHBondContact O-CG2 3.42Å; L302-V306 PolarHBondContact O-N 3.04Å; V306-S308 PolarHBondContact O-N 3.2Å
307	F	77.3	Confident	86.6	Confident	18 Å²	18	55.6 Å²	55.6	8%	0.079	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2	178.2	-74.8	-101.5	0	0	0	113.1	C170 K190 V193 Y194 I303 N305 I309	C170-F307 HydrophobicContact CB-CE1 4.33Å; C170-F307 HydrophobicContact CB-CZ 4.07Å; C170-F307 WeakPolarHBondContact SG-CE1 3.33Å; C170-F307 VanDerWaalsContact SG-CZ 3.57Å; K190-F307 WeakPolarHBondContact CE-O 3.46Å; K190-F307 HydrophobicContact CG-CD1 3.61Å; K190-F307 HydrophobicContact CG-CE1 4.13Å; K190-F307 PolarHBondContact NZ-O 3.27Å; K190-F307 WeakPolarHBondContact O-CD1 3.28Å; K190-F307 WeakPolarHBondContact O-CE1 3.42Å; V193-F307 HydrophobicContact CB-CE1 4.17Å; V193-F307 HydrophobicContact CB-CZ 4.39Å; V193-F307 HydrophobicContact CG1-CE1 4.22Å; V193-F307 HydrophobicContact CG1-CZ 3.94Å; Y194-F307 HydrophobicContact CD2-CB 3.51Å; Y194-F307 HydrophobicContact CD2-CD1 4.11Å; Y194-F307 AromaticContact CD2-CD2 3.94Å; Y194-F307 HydrophobicContact CD2-CD2 3.94Å; Y194-F307 AromaticContact CD2-CG 3.58Å; Y194-F307 HydrophobicContact CD2-CG 3.58Å; Y194-F307 HydrophobicContact CE2-CB 4.03Å; Y194-F307 HydrophobicContact CE2-CG 4.49Å; Y194-F307 HydrophobicContact CG-CB 4.26Å; Y194-F307 HydrophobicContact CG-CD1 4.3Å; Y194-F307 HydrophobicContact CG-CG 4.22Å; I303-F307 HydrophobicContact CG2-CD2 3.93Å; I303-F307 HydrophobicContact CG2-CE2 4.22Å; I303-F307 WeakPolarHBondContact O-CB 3.46Å; I303-F307 WeakPolarHBondContact O-CD2 3.01Å; I303-F307 PolarHBondContact O-N 3.3Å; N305-F307 VanDerWaalsContact C-N 3.34Å; N305-F307 PolarHBondContact O-N 3.17Å; F307-I309 VanDerWaalsContact C-N 3.25Å; F307-I309 HydrophobicContact CB-CD1 4.38Å; F307-I309 HydrophobicContact CB-CG1 3.74Å; F307-I309 PolarHBondContact O-N 3.44Å
308	S	80.1	Confident	86.6	Confident	92 Å²	92	53.5 Å²	53.5	64%	0.643	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	37.3	179.4	-31.7	0	0	0	0	112.9	R304 N305 V306	R304-S308 PolarHBondContact O-N 2.93Å; N305-S308 WeakPolarHBondContact O-CA 3.46Å; N305-S308 PolarHBondContact O-N 3.41Å; V306-S308 PolarHBondContact O-N 3.2Å
309	I	83.1	Confident	86.5	Confident	24 Å²	24	56.7 Å²	56.7	12%	0.123	28%	0.277	C	S	.	.			trans	-91.2	136.9	-177.4	-54.7	-59.2	0	0	0	109.5	M191 Y194 R304 F307 T313 H314	M191-I309 HydrophobicContact SD-CD1 4Å; Y194-I309 HydrophobicContact CD1-CG1 4.21Å; Y194-I309 HydrophobicContact CD2-CG1 3.98Å; Y194-I309 HydrophobicContact CE1-CB 4.32Å; Y194-I309 HydrophobicContact CE1-CG1 3.94Å; Y194-I309 HydrophobicContact CE1-CG2 4.01Å; Y194-I309 HydrophobicContact CE2-CB 4.13Å; Y194-I309 HydrophobicContact CE2-CG1 3.68Å; Y194-I309 HydrophobicContact CG-CG1 4.21Å; Y194-I309 WeakPolarHBondContact OH-CG2 3.48Å; R304-I309 HydrophobicContact CG-CB 4.31Å; R304-I309 WeakPolarHBondContact CG-O 3.37Å; R304-I309 PolarHBondContact NH1-O 3.06Å; R304-I309 PolarHBondContact O-N 3.5Å; F307-I309 VanDerWaalsContact C-N 3.25Å; F307-I309 HydrophobicContact CB-CD1 4.38Å; F307-I309 HydrophobicContact CB-CG1 3.74Å; F307-I309 PolarHBondContact O-N 3.44Å; I309-T313 HydrophobicContact CG2-CG2 3.72Å; I309-H314 HydrophobicContact CG2-CB 4.39Å
310	D	88.7	Confident	86.5	Confident	82 Å²	82	60.9 Å²	60.9	44%	0.439	30%	0.296	S	S	.	.			trans	-71	163.9	175.8	71.3	87.6	0	0	0	111.9	K312 T313 H314	D310-K312 VanDerWaalsContact C-N 3.31Å; D310-K312 PolarHBondContact O-N 2.82Å; D310-K312 WeakPolarHBondContact OD1-CA 3.28Å; D310-K312 VanDerWaalsContact OD1-CB 3.27Å; D310-K312 WeakPolarHBondContact OD1-CB 3.43Å; D310-K312 PolarHBondContact OD1-N 2.8Å; D310-T313 PolarHBondContact OD1-N 3.03Å; D310-T313 PolarHBondContact OD1-OG1 3.13Å; D310-T313 WeakPolarHBondContact OD2-CB 3.45Å; D310-T313 PolarHBondContact OD2-OG1 3.07Å; D310-H314 VanDerWaalsContact O-CB 3.28Å; D310-H314 WeakPolarHBondContact O-CB 3.25Å; D310-H314 PolarHBondContact O-N 3.2Å
311	K	90.1	Very high	86.2	Confident	147 Å²	147	61 Å²	61	64%	0.639	30%	0.298	S	S	*	.	H	α-helix	trans	-66.8	-27.9	-175.7	-69.4	-175.6	176.7	-176.2	0	113.8	H315	K311-H315 WeakPolarHBondContact O-CB 3.49Å; K311-H315 PolarHBondContact O-N 2.97Å; K311-H315 VanDerWaalsContact O-N 3.12Å
312	K	90.1	Very high	86.2	Confident	147 Å²	147	59.7 Å²	59.7	64%	0.639	29%	0.291	S	S	*	.	H	α-helix	trans	-73.8	-52.9	179.1	-178.5	-171.3	171	-168.9	0	109.9	D310 H314 H315 E316	D310-K312 VanDerWaalsContact C-N 3.31Å; D310-K312 PolarHBondContact O-N 2.82Å; D310-K312 WeakPolarHBondContact OD1-CA 3.28Å; D310-K312 VanDerWaalsContact OD1-CB 3.27Å; D310-K312 WeakPolarHBondContact OD1-CB 3.43Å; D310-K312 PolarHBondContact OD1-N 2.8Å; K312-H314 VanDerWaalsContact C-N 3.26Å; K312-H314 PolarHBondContact O-N 3.48Å; K312-H315 PolarHBondContact O-N 3.49Å; K312-H315 VanDerWaalsContact O-N 3.07Å; K312-E316 WeakPolarHBondContact CE-OE1 3.3Å; K312-E316 PolarHBondContact O-N 3.12Å
313	T	88.7	Confident	86.2	Confident	45 Å²	45	62.6 Å²	62.6	28%	0.276	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-34.6	176.7	-56.5	0	0	0	0	111.8	M191 I309 D310 A317	M191-T313 HydrophobicContact CE-CG2 3.49Å; M191-T313 VanDerWaalsContact CE-CG2 3.49Å; I309-T313 HydrophobicContact CG2-CG2 3.72Å; D310-T313 PolarHBondContact OD1-N 3.03Å; D310-T313 PolarHBondContact OD1-OG1 3.13Å; D310-T313 WeakPolarHBondContact OD2-CB 3.45Å; D310-T313 PolarHBondContact OD2-OG1 3.07Å; T313-A317 VanDerWaalsContact O-CB 3.24Å; T313-A317 WeakPolarHBondContact O-CB 3.14Å; T313-A317 PolarHBondContact O-N 2.9Å
314	H	90.9	Very high	86.1	Confident	27 Å²	27	65.9 Å²	65.9	13%	0.125	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-48.6	170.9	176.5	76.3	0	0	0	112.2	Y194 R304 I309 D310 K312 E316 A317 M318	Y194-H314 AromaticContact CZ-ND1 3.9Å; Y194-H314 WeakPolarHBondContact OH-CA 3.24Å; Y194-H314 WeakPolarHBondContact OH-CB 3.45Å; Y194-H314 PolarHBondContact OH-ND1 3.18Å; R304-H314 HydrophobicContact CG-CB 3.97Å; I309-H314 HydrophobicContact CG2-CB 4.39Å; D310-H314 VanDerWaalsContact O-CB 3.28Å; D310-H314 WeakPolarHBondContact O-CB 3.25Å; D310-H314 PolarHBondContact O-N 3.2Å; K312-H314 VanDerWaalsContact C-N 3.26Å; K312-H314 PolarHBondContact O-N 3.48Å; H314-E316 PolarHBondContact O-N 3.03Å; H314-A317 PolarHBondContact O-N 2.87Å; H314-M318 VanDerWaalsContact O-CB 3.27Å; H314-M318 WeakPolarHBondContact O-CB 3.47Å; H314-M318 PolarHBondContact O-N 3.12Å
315	H	90.1	Very high	85.7	Confident	131 Å²	131	65 Å²	65	61%	0.606	32%	0.323	S	S	*	.	H	α-helix	trans	-63.7	-40.9	-179.4	-169.1	81.3	0	0	0	112.2	K311 K312 M318 K319	K311-H315 WeakPolarHBondContact O-CB 3.49Å; K311-H315 PolarHBondContact O-N 2.97Å; K311-H315 VanDerWaalsContact O-N 3.12Å; K312-H315 PolarHBondContact O-N 3.49Å; K312-H315 VanDerWaalsContact O-N 3.07Å; H315-M318 PolarHBondContact O-N 3.33Å; H315-K319 WeakPolarHBondContact O-CB 3.36Å; H315-K319 PolarHBondContact O-N 3.48Å
316	E	89.4	Confident	85.5	Confident	87 Å²	87	62.1 Å²	62.1	41%	0.407	31%	0.308	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.5	-70.8	171.3	-168.5	0	0	112	K312 H314 M318 K319 Q320	K312-E316 WeakPolarHBondContact CE-OE1 3.3Å; K312-E316 PolarHBondContact O-N 3.12Å; H314-E316 PolarHBondContact O-N 3.03Å; E316-M318 PolarHBondContact O-N 2.98Å; E316-K319 PolarHBondContact O-N 3.17Å; E316-Q320 VanDerWaalsContact O-CG 3.31Å; E316-Q320 WeakPolarHBondContact O-CG 3.42Å; E316-Q320 PolarHBondContact O-N 2.82Å
317	A	86.6	Confident	85.4	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-42.5	175.5	0	0	0	0	0	112	M191 Y194 R195 I198 T313 H314 Q320 V321	M191-A317 HydrophobicContact CE-CB 4.21Å; Y194-A317 HydrophobicContact CD1-CB 4.45Å; Y194-A317 HydrophobicContact CE1-CB 3.84Å; R195-A317 HydrophobicContact CG-CB 4.28Å; I198-A317 HydrophobicContact CD1-CB 4.43Å; T313-A317 VanDerWaalsContact O-CB 3.24Å; T313-A317 WeakPolarHBondContact O-CB 3.14Å; T313-A317 PolarHBondContact O-N 2.9Å; H314-A317 PolarHBondContact O-N 2.87Å; A317-Q320 PolarHBondContact O-N 2.71Å; A317-V321 WeakPolarHBondContact O-CB 3.21Å; A317-V321 VanDerWaalsContact O-CG2 3.23Å; A317-V321 WeakPolarHBondContact O-CG2 3.47Å; A317-V321 PolarHBondContact O-N 3.24Å
318	M	89.9	Confident	84.9	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.02	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-44.4	176.3	-174.1	65.1	75.2	0	0	111.7	I198 I202 F300 H314 H315 E316 V321 K322	I198-M318 HydrophobicContact CG2-CE 3.74Å; I198-M318 HydrophobicContact CG2-SD 3.49Å; I198-M318 WeakPolarHBondContact CG2-SD 3.47Å; I202-M318 HydrophobicContact CD1-SD 3.97Å; I202-M318 HydrophobicContact CG1-SD 4.18Å; F300-M318 HydrophobicContact CB-CE 4.14Å; F300-M318 HydrophobicContact CD1-CE 3.6Å; F300-M318 HydrophobicContact CE1-CE 4.22Å; F300-M318 HydrophobicContact CG-CE 3.91Å; H314-M318 VanDerWaalsContact O-CB 3.27Å; H314-M318 WeakPolarHBondContact O-CB 3.47Å; H314-M318 PolarHBondContact O-N 3.12Å; H315-M318 PolarHBondContact O-N 3.33Å; E316-M318 PolarHBondContact O-N 2.98Å; M318-V321 PolarHBondContact O-N 3.45Å; M318-K322 HydrophobicContact CG-CD 4.29Å; M318-K322 VanDerWaalsContact O-CG 3.31Å; M318-K322 WeakPolarHBondContact O-CG 3.49Å; M318-K322 PolarHBondContact O-N 3.33Å
319	K	89.6	Confident	84	Confident	155 Å²	155	61.3 Å²	61.3	67%	0.674	30%	0.303	S	S	*	.	H	α-helix	trans	-61.8	-47.2	175.6	-176.6	-178.7	177.5	-175.3	0	111.8	H315 E316 Q323	H315-K319 WeakPolarHBondContact O-CB 3.36Å; H315-K319 PolarHBondContact O-N 3.48Å; E316-K319 PolarHBondContact O-N 3.17Å; K319-Q323 WeakPolarHBondContact O-CB 3.45Å; K319-Q323 PolarHBondContact O-N 3.25Å; K319-Q323 VanDerWaalsContact O-N 3.09Å
320	Q	86.2	Confident	82.8	Confident	88 Å²	88	63.5 Å²	63.5	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-47	177	-71.9	170.5	4.5	0	0	111.5	E316 A317 Q323 C324	E316-Q320 VanDerWaalsContact O-CG 3.31Å; E316-Q320 WeakPolarHBondContact O-CG 3.42Å; E316-Q320 PolarHBondContact O-N 2.82Å; A317-Q320 PolarHBondContact O-N 2.71Å; Q320-Q323 PolarHBondContact O-N 3.37Å; Q320-C324 PolarHBondContact O-N 3.01Å; Q320-C324 PolarHBondContact O-SG 2.72Å
321	V	86.7	Confident	81.5	Confident	9 Å²	9	66.7 Å²	66.7	6%	0.055	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-45.3	-178.7	166.8	0	0	0	0	112.1	R195 I198 Q199 I202 A317 M318 Q323 C324 I325	R195-V321 HydrophobicContact CB-CG2 4.11Å; R195-V321 HydrophobicContact CG-CG2 4.36Å; R195-V321 WeakPolarHBondContact O-CG2 3.34Å; I198-V321 HydrophobicContact CB-CG1 4.42Å; I198-V321 HydrophobicContact CB-CG2 4.44Å; I198-V321 HydrophobicContact CG2-CB 4.19Å; I198-V321 HydrophobicContact CG2-CG1 3.92Å; I198-V321 HydrophobicContact CG2-CG2 4.37Å; Q199-V321 VanDerWaalsContact CA-CG1 3.41Å; Q199-V321 HydrophobicContact CB-CG1 3.69Å; Q199-V321 HydrophobicContact CG-CG1 3.94Å; I202-V321 HydrophobicContact CG2-CG1 4.04Å; A317-V321 WeakPolarHBondContact O-CB 3.21Å; A317-V321 VanDerWaalsContact O-CG2 3.23Å; A317-V321 WeakPolarHBondContact O-CG2 3.47Å; A317-V321 PolarHBondContact O-N 3.24Å; M318-V321 PolarHBondContact O-N 3.45Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 2.86Å; V321-C324 PolarHBondContact O-N 3.46Å; V321-I325 HydrophobicContact CG1-CD1 4.08Å; V321-I325 WeakPolarHBondContact O-CG1 3.2Å; V321-I325 PolarHBondContact O-N 2.94Å; V321-I325 VanDerWaalsContact O-N 3.09Å
322	K	89.1	Confident	80.2	Confident	42 Å²	42	61.9 Å²	61.9	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-58.8	-44.5	174.5	-71.9	171.4	-174.2	166.1	0	111.3	I202 M289 E293 M318 C324 I325 L326	I202-K322 HydrophobicContact CG1-CG 4.09Å; M289-K322 HydrophobicContact SD-CB 4.06Å; M289-K322 HydrophobicContact SD-CG 3.88Å; E293-K322 IonicContact OE1-NZ 3.71Å; E293-K322 PolarHBondContact OE1-NZ 3.17Å; E293-K322 IonicContact OE2-NZ 2.75Å; E293-K322 PolarHBondContact OE2-NZ 3.12Å; M318-K322 HydrophobicContact CG-CD 4.29Å; M318-K322 VanDerWaalsContact O-CG 3.31Å; M318-K322 WeakPolarHBondContact O-CG 3.49Å; M318-K322 PolarHBondContact O-N 3.33Å; K322-C324 PolarHBondContact O-N 2.86Å; K322-I325 PolarHBondContact O-N 2.77Å; K322-L326 WeakPolarHBondContact O-CG 3.03Å; K322-L326 PolarHBondContact O-N 2.79Å; K322-L326 VanDerWaalsContact O-N 3.17Å
323	Q	85.3	Confident	79.1	Confident	94 Å²	94	56 Å²	56	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-44.6	176.6	-176.3	60.6	24	0	0	111.9	K319 Q320 V321 I325 L326 E327	K319-Q323 WeakPolarHBondContact O-CB 3.45Å; K319-Q323 PolarHBondContact O-N 3.25Å; K319-Q323 VanDerWaalsContact O-N 3.09Å; Q320-Q323 PolarHBondContact O-N 3.37Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 2.86Å; Q323-I325 VanDerWaalsContact C-N 3.25Å; Q323-I325 PolarHBondContact O-N 2.77Å; Q323-L326 PolarHBondContact O-N 2.94Å; Q323-L326 VanDerWaalsContact O-N 3.14Å; Q323-E327 PolarHBondContact NE2-OE1 2.75Å; Q323-E327 WeakPolarHBondContact O-CG 3.44Å; Q323-E327 PolarHBondContact O-N 2.93Å
324	C	80.6	Confident	77.9	Confident	74 Å²	74	53.9 Å²	53.9	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-61.4	-29	176	-67.4	0	0	0	0	113.9	Q320 V321 K322	Q320-C324 PolarHBondContact O-N 3.01Å; Q320-C324 PolarHBondContact O-SG 2.72Å; V321-C324 PolarHBondContact O-N 3.46Å; K322-C324 PolarHBondContact O-N 2.86Å
325	I	80.2	Confident	76.9	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-73.9	-38.6	175.3	-68.8	162.8	0	0	0	110.8	Q199 I202 Y203 M285 M289 V321 K322 Q323 G328	Q199-I325 HydrophobicContact CG-CD1 3.92Å; Q199-I325 HydrophobicContact CG-CG1 3.9Å; I202-I325 HydrophobicContact CG2-CD1 3.31Å; Y203-I325 HydrophobicContact CD2-CG2 4.47Å; Y203-I325 HydrophobicContact CG-CG2 4.2Å; M285-I325 HydrophobicContact CE-CG2 4.02Å; M289-I325 HydrophobicContact CE-CB 4.2Å; M289-I325 HydrophobicContact CE-CG2 3.68Å; M289-I325 HydrophobicContact SD-CB 4.23Å; M289-I325 HydrophobicContact SD-CD1 4.17Å; M289-I325 HydrophobicContact SD-CG2 4.09Å; V321-I325 HydrophobicContact CG1-CD1 4.08Å; V321-I325 WeakPolarHBondContact O-CG1 3.2Å; V321-I325 PolarHBondContact O-N 2.94Å; V321-I325 VanDerWaalsContact O-N 3.09Å; K322-I325 PolarHBondContact O-N 2.77Å; Q323-I325 VanDerWaalsContact C-N 3.25Å; Q323-I325 PolarHBondContact O-N 2.77Å; I325-G328 PolarHBondContact O-N 2.8Å
326	L	79.7	Confident	75.9	Confident	20 Å²	20	50.6 Å²	50.6	11%	0.105	26%	0.26	C	S	.	.	H	α-helix	trans	-73.2	-31.5	179.4	-63	171.9	0	0	0	113.6	I282 M285 K286 M289 K322 Q323 G328	I282-L326 HydrophobicContact CG2-CD2 4.24Å; M285-L326 HydrophobicContact CB-CD2 3.75Å; K286-L326 HydrophobicContact CD-CD1 4.2Å; K286-L326 VanDerWaalsContact CE-CD1 3.46Å; K286-L326 HydrophobicContact CG-CD1 3.64Å; K286-L326 HydrophobicContact CG-CD2 3.88Å; K286-L326 HydrophobicContact CG-CG 4.4Å; M289-L326 HydrophobicContact CE-CD2 3.45Å; M289-L326 VanDerWaalsContact CE-CD2 3.45Å; M289-L326 HydrophobicContact CE-CG 3.84Å; K322-L326 WeakPolarHBondContact O-CG 3.03Å; K322-L326 PolarHBondContact O-N 2.79Å; K322-L326 VanDerWaalsContact O-N 3.17Å; Q323-L326 PolarHBondContact O-N 2.94Å; Q323-L326 VanDerWaalsContact O-N 3.14Å; L326-G328 PolarHBondContact O-N 2.89Å
327	E	70.9	Confident	74.8	Confident	60 Å²	60	47.7 Å²	47.7	28%	0.28	25%	0.251	S	S	.	.	S	Bend	trans	-70.7	-18.1	174.1	-69.5	-176.4	-171.4	0	0	112.7	Q323 T329 A330 K331	Q323-E327 PolarHBondContact NE2-OE1 2.75Å; Q323-E327 WeakPolarHBondContact O-CG 3.44Å; Q323-E327 PolarHBondContact O-N 2.93Å; E327-T329 PolarHBondContact O-N 2.78Å; E327-A330 WeakPolarHBondContact O-CB 3.33Å; E327-A330 PolarHBondContact O-N 2.84Å; E327-K331 IonicContact OE1-NZ 3.87Å; E327-K331 PolarHBondContact OE1-NZ 3.22Å; E327-K331 WeakPolarHBondContact OE2-CD 3.44Å; E327-K331 WeakPolarHBondContact OE2-CE 3.3Å; E327-K331 IonicContact OE2-NZ 2.7Å; E327-K331 PolarHBondContact OE2-NZ 3.19Å
328	G	66.3	Low	73.8	Confident	32 Å²	32	47.7 Å²	47.7	33%	0.33	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-133.3	175.7	0	0	0	0	0	112.3	I325 L326	I325-G328 PolarHBondContact O-N 2.8Å; L326-G328 PolarHBondContact O-N 2.89Å
329	T	62.5	Low	72.6	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.049	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	4.6	-179.6	61.7	0	0	0	0	113.8	E266 E327 K331 W332 N377 S378	E266-T329 WeakPolarHBondContact CG-OG1 3.11Å; E266-T329 WeakPolarHBondContact OE1-CG2 3.4Å; E327-T329 PolarHBondContact O-N 2.78Å; T329-K331 PolarHBondContact O-N 2.92Å; T329-K331 VanDerWaalsContact O-N 3.12Å; T329-W332 WeakPolarHBondContact O-CB 3.44Å; T329-W332 PolarHBondContact O-N 3.4Å; T329-N377 VanDerWaalsContact CB-OD1 3.32Å; T329-N377 WeakPolarHBondContact CB-OD1 3.29Å; T329-N377 VanDerWaalsContact CG2-OD1 3.32Å; T329-N377 WeakPolarHBondContact CG2-OD1 3.13Å; T329-N377 PolarHBondContact OG1-OD1 2.82Å; T329-S378 WeakPolarHBondContact CG2-OG 3.17Å
330	A	57.6	Low	71.1	Confident	70 Å²	70	42.4 Å²	42.4	58%	0.579	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.6	-172.1	0	0	0	0	0	114.6	E327	E327-A330 WeakPolarHBondContact O-CB 3.33Å; E327-A330 PolarHBondContact O-N 2.84Å
331	K	60.4	Low	69.7	Low	149 Å²	149	40.9 Å²	40.9	65%	0.648	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	10.1	174.4	-59.2	177.9	-173.6	165.4	0	112.9	E327 T329	E327-K331 IonicContact OE1-NZ 3.87Å; E327-K331 PolarHBondContact OE1-NZ 3.22Å; E327-K331 WeakPolarHBondContact OE2-CD 3.44Å; E327-K331 WeakPolarHBondContact OE2-CE 3.3Å; E327-K331 IonicContact OE2-NZ 2.7Å; E327-K331 PolarHBondContact OE2-NZ 3.19Å; T329-K331 PolarHBondContact O-N 2.92Å; T329-K331 VanDerWaalsContact O-N 3.12Å
332	W	64.1	Low	68.1	Low	46 Å²	46	42.4 Å²	42.4	17%	0.174	24%	0.242	C	C	.	.			trans	-102.4	128	-171.9	-173.4	102.3	0	0	0	110.4	T329 A334 C375 H376 N377 V416 F447	T329-W332 WeakPolarHBondContact O-CB 3.44Å; T329-W332 PolarHBondContact O-N 3.4Å; W332-A334 HydrophobicContact CH2-CB 3.54Å; W332-A334 HydrophobicContact CZ2-CB 3.79Å; W332-A334 HydrophobicContact CZ3-CB 4.14Å; W332-C375 HydrophobicContact CH2-CB 4.18Å; W332-C375 HydrophobicContact CZ3-CB 4.08Å; W332-C375 WeakPolarHBondContact CZ3-O 2.96Å; W332-H376 CarbonylContact O-C 3.59Å; W332-N377 VanDerWaalsContact CZ3-C 3.45Å; W332-N377 VanDerWaalsContact CZ3-N 3.32Å; W332-V416 HydrophobicContact CH2-CG1 3.15Å; W332-V416 HydrophobicContact CZ2-CG1 3.47Å; W332-V416 VanDerWaalsContact CZ2-CG1 3.47Å; W332-V416 HydrophobicContact CZ3-CG1 4.15Å; W332-F447 AromaticContact CH2-CE2 3.96Å; W332-F447 HydrophobicContact CH2-CE2 3.96Å; W332-F447 HydrophobicContact CH2-CZ 4.16Å; W332-F447 AromaticContact CZ2-CE2 3.67Å; W332-F447 HydrophobicContact CZ2-CE2 3.67Å; W332-F447 AromaticContact CZ2-CZ 3.43Å; W332-F447 HydrophobicContact CZ2-CZ 3.43Å; W332-F447 VanDerWaalsContact CZ2-CZ 3.43Å
333	S	65.3	Low	66.4	Low	24 Å²	24	49.1 Å²	49.1	17%	0.168	27%	0.267	C	S	.	.			trans	-147.9	147.4	167.5	51.3	0	0	0	0	108.7	C375 I449 I450	S333-C375 CarbonylContact C-O 3.6Å; S333-C375 WeakPolarHBondContact CA-O 3.39Å; S333-I449 CarbonylContact O-C 3.49Å; S333-I449 WeakPolarHBondContact O-CA 3.13Å; S333-I449 WeakPolarHBondContact O-CG2 3.13Å; S333-I450 PolarHBondContact O-N 2.99Å
334	A	65.4	Low	64.9	Low	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143.1	-179.6	0	0	0	0	0	111.9	W332 C375 F447 I448	W332-A334 HydrophobicContact CH2-CB 3.54Å; W332-A334 HydrophobicContact CZ2-CB 3.79Å; W332-A334 HydrophobicContact CZ3-CB 4.14Å; A334-C375 PolarHBondContact N-O 2.91Å; A334-C375 PolarHBondContact O-N 3.35Å; A334-F447 HydrophobicContact CB-CD2 4.05Å; A334-F447 HydrophobicContact CB-CE1 4.37Å; A334-F447 HydrophobicContact CB-CE2 3.23Å; A334-F447 HydrophobicContact CB-CZ 3.41Å; A334-F447 VanDerWaalsContact CB-CZ 3.41Å; A334-I448 CarbonylContact C-O 3.59Å; A334-I448 WeakPolarHBondContact CA-O 3.36Å
335	K	68.7	Low	63.4	Low	89 Å²	89	44.9 Å²	44.9	39%	0.387	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	115.6	168.7	-169.4	166.5	-176.9	168.1	0	107.7	S372 I448 I450	K335-S372 WeakPolarHBondContact CE-OG 3.4Å; K335-I448 PolarHBondContact N-O 3.07Å; K335-I448 PolarHBondContact O-N 3.2Å; K335-I450 HydrophobicContact CB-CD1 4.2Å; K335-I450 HydrophobicContact CB-CG1 4.28Å
336	I	68.6	Low	61.9	Low	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.7	178.6	-42.9	-174.4	0	0	0	107.3	I338 S372 S373 C375 V382 V416 L419 I445 F447	I336-I338 HydrophobicContact CG2-CD1 4.12Å; I336-I338 HydrophobicContact CG2-CG1 3.88Å; I336-S372 WeakPolarHBondContact O-CA 3.37Å; I336-S373 PolarHBondContact N-O 3.34Å; I336-S373 PolarHBondContact O-N 3.45Å; I336-C375 HydrophobicContact CD1-CB 3.67Å; I336-C375 HydrophobicContact CG1-CB 4.08Å; I336-V382 HydrophobicContact CD1-CG2 4.14Å; I336-V416 HydrophobicContact CD1-CG1 4.35Å; I336-V416 HydrophobicContact CD1-CG2 4.01Å; I336-L419 HydrophobicContact CD1-CD1 3.93Å; I336-L419 HydrophobicContact CG2-CD1 4.09Å; I336-I445 HydrophobicContact CG2-CG2 3.85Å; I336-F447 HydrophobicContact CD1-CD2 4.45Å; I336-F447 HydrophobicContact CG1-CD2 4Å; I336-F447 HydrophobicContact CG1-CE2 4.36Å
337	A	67.2	Low	60.5	Low	26 Å²	26	57.7 Å²	57.7	22%	0.215	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.6	170.5	0	0	0	0	0	109.9	S371 I445 S446	A337-S371 VanDerWaalsContact CA-O 3.25Å; A337-S371 WeakPolarHBondContact CA-O 3.43Å; A337-I445 CarbonylContact O-C 3.45Å; A337-I445 WeakPolarHBondContact O-CA 3.49Å; A337-S446 PolarHBondContact N-O 3.45Å; A337-S446 PolarHBondContact O-N 3.49Å
338	I	66.1	Low	59.8	Low	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.6	-174.4	-59.1	175.6	0	0	0	109.8	I336 V353 I355 S371 V382 M443 I445	I336-I338 HydrophobicContact CG2-CD1 4.12Å; I336-I338 HydrophobicContact CG2-CG1 3.88Å; I338-V353 HydrophobicContact CD1-CG1 4.02Å; I338-I355 HydrophobicContact CD1-CD1 4.18Å; I338-S371 PolarHBondContact N-O 3.01Å; I338-V382 HydrophobicContact CD1-CG1 3.64Å; I338-M443 HydrophobicContact CG2-CE 3.41Å; I338-M443 VanDerWaalsContact CG2-CE 3.41Å; I338-M443 HydrophobicContact CG2-SD 4.5Å; I338-I445 HydrophobicContact CG1-CG1 4.39Å; I338-I445 HydrophobicContact CG1-CG2 4.25Å; I338-I445 HydrophobicContact CG2-CG1 4.45Å
339	T	64.6	Low	59.2	Low	36 Å²	36	57.9 Å²	57.9	22%	0.221	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	93	177.2	-50.1	0	0	0	0	109.1	Y369 S444	T339-Y369 VanDerWaalsContact CA-O 3.29Å; T339-Y369 WeakPolarHBondContact CA-O 3.39Å; T339-Y369 WeakPolarHBondContact CG2-O 3.32Å; T339-Y369 PolarHBondContact OG1-O 3.16Å; T339-S444 WeakPolarHBondContact CA-O 3.49Å; T339-S444 PolarHBondContact N-O 3.05Å; T339-S444 PolarHBondContact O-N 3.48Å
340	G	58.2	Low	58.8	Low	13 Å²	13	58.6 Å²	58.6	13%	0.134	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	141.5	176.9	0	0	0	0	0	112.5
341	V	55.4	Low	59	Low	56 Å²	56	56 Å²	56	34%	0.339	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	105.7	166	-167.4	0	0	0	0	108.8	Y343 F442	V341-Y343 HydrophobicContact CG1-CD2 3.91Å; V341-Y343 PolarHBondContact O-N 3.44Å; V341-F442 HydrophobicContact CB-CD1 4.1Å; V341-F442 HydrophobicContact CG2-CD1 4.16Å; V341-F442 PolarHBondContact N-O 3.22Å; V341-F442 WeakPolarHBondContact O-CB 3.39Å
342	P	53.6	Low	59.1	Low	41 Å²	41	51 Å²	51	27%	0.266	26%	0.262	S	S	.	.			trans	-74.7	115.3	174.4	27.4	-28	0	0	0	109.4	F348 T365	P342-F348 HydrophobicContact CB-CB 4.39Å; P342-F348 HydrophobicContact CB-CD2 4.09Å; P342-F348 HydrophobicContact CB-CG 4.43Å; P342-T365 HydrophobicContact CG-CG2 3.81Å
343	Y	53.7	Low	59.2	Low	182 Å²	182	48.9 Å²	48.9	71%	0.714	26%	0.255	S	S	*	.			trans	-119	0.3	-171.6	-138.3	-91.2	0	0	0	114.9	V341	V341-Y343 HydrophobicContact CG1-CD2 3.91Å; V341-Y343 PolarHBondContact O-N 3.44Å
344	L	52.8	Low	59.2	Low	31 Å²	31	48.8 Å²	48.8	16%	0.162	25%	0.254	C	S	.	.	S	Bend	trans	-125.8	8.6	-164.1	-77.7	166.8	0	0	0	116.6	W426 R440 V536 A544	L344-W426 HydrophobicContact CD1-CE3 4.07Å; L344-W426 HydrophobicContact CD1-CH2 4.4Å; L344-W426 HydrophobicContact CD1-CZ3 3.58Å; L344-W426 HydrophobicContact CG-CZ3 4.19Å; L344-R440 HydrophobicContact CD1-CB 3.6Å; L344-V536 HydrophobicContact CD2-CG1 3.8Å; L344-V536 HydrophobicContact CD2-CG2 4.37Å; L344-A544 HydrophobicContact CD1-CB 4.01Å
345	C	50.9	Low	59.2	Low	49 Å²	49	49.2 Å²	49.2	33%	0.331	26%	0.256	S	S	.	.			trans	-152.5	136.1	162.2	-159.7	0	0	0	0	111	R347 F348	C345-R347 PolarHBondContact O-N 2.82Å; C345-R347 VanDerWaalsContact O-N 3.16Å; C345-F348 HydrophobicContact CB-CD2 3.65Å; C345-F348 HydrophobicContact CB-CE1 4.44Å; C345-F348 HydrophobicContact CB-CE2 3.14Å; C345-F348 HydrophobicContact CB-CG 4.45Å; C345-F348 HydrophobicContact CB-CZ 3.54Å; C345-F348 VanDerWaalsContact O-CD2 3.23Å; C345-F348 WeakPolarHBondContact O-CD2 3.13Å
346	S	48	Very low	58.7	Low	130 Å²	130	48.5 Å²	48.5	91%	0.909	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-1.2	174.7	48.9	0	0	0	0	114.4
347	R	50.8	Low	58.1	Low	169 Å²	169	51.9 Å²	51.9	64%	0.638	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-19.3	179.1	-60.8	-173	-177.3	-170.1	0.6	114.4	C345 K349	C345-R347 PolarHBondContact O-N 2.82Å; C345-R347 VanDerWaalsContact O-N 3.16Å; R347-K349 PolarHBondContact O-N 3.42Å
348	F	55	Low	57.5	Low	20 Å²	20	55.4 Å²	55.4	9%	0.088	29%	0.293	C	S	.	.			trans	-63	133	-175.1	-64.1	-53.9	0	0	0	112.7	P342 C345 T365 V386 L409 I439	P342-F348 HydrophobicContact CB-CB 4.39Å; P342-F348 HydrophobicContact CB-CD2 4.09Å; P342-F348 HydrophobicContact CB-CG 4.43Å; C345-F348 HydrophobicContact CB-CD2 3.65Å; C345-F348 HydrophobicContact CB-CE1 4.44Å; C345-F348 HydrophobicContact CB-CE2 3.14Å; C345-F348 HydrophobicContact CB-CG 4.45Å; C345-F348 HydrophobicContact CB-CZ 3.54Å; C345-F348 VanDerWaalsContact O-CD2 3.23Å; C345-F348 WeakPolarHBondContact O-CD2 3.13Å; F348-T365 HydrophobicContact CB-CG2 4.15Å; F348-T365 WeakPolarHBondContact O-CG2 3.43Å; F348-T365 PolarHBondContact O-OG1 2.65Å; F348-V386 HydrophobicContact CD1-CG1 3.33Å; F348-V386 HydrophobicContact CE1-CG1 3.58Å; F348-V386 HydrophobicContact CG-CG1 4.27Å; F348-L409 HydrophobicContact CD1-CD1 3.44Å; F348-L409 VanDerWaalsContact CD1-CD1 3.44Å; F348-L409 HydrophobicContact CE1-CB 4.03Å; F348-L409 HydrophobicContact CE1-CD1 3.41Å; F348-L409 VanDerWaalsContact CE1-CD1 3.41Å; F348-L409 HydrophobicContact CE1-CG 4.31Å; F348-I439 HydrophobicContact CE1-CG2 4.28Å; F348-I439 HydrophobicContact CE2-CG2 4Å; F348-I439 HydrophobicContact CZ-CD1 4.2Å; F348-I439 HydrophobicContact CZ-CG2 3.36Å
349	K	53.7	Low	56.8	Low	76 Å²	76	62.7 Å²	62.7	33%	0.33	33%	0.332	S	S	.	.			trans	-132.3	-32.5	170.4	-71	-179.9	-163.1	144.4	0	114.6	R347 L364 T365 E389	R347-K349 PolarHBondContact O-N 3.42Å; K349-L364 WeakPolarHBondContact O-CA 3.23Å; K349-T365 PolarHBondContact O-N 2.88Å; K349-E389 HydrophobicContact CB-CB 3.94Å; K349-E389 HydrophobicContact CD-CB 4.25Å; K349-E389 PolarHBondContact NZ-O 3.45Å; K349-E389 VanDerWaalsContact NZ-O 3.17Å
350	L	55.4	Low	56.3	Low	22 Å²	22	64.5 Å²	64.5	12%	0.115	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.8	-178	-159.2	86.3	0	0	0	112.7	L352 A362 L364 W387	L350-L352 HydrophobicContact CD2-CD1 3.88Å; L350-L352 HydrophobicContact CD2-CG 4.23Å; L350-A362 HydrophobicContact CD1-CB 4.47Å; L350-L364 HydrophobicContact CD1-CD2 3.87Å; L350-L364 HydrophobicContact CD1-CG 4.31Å; L350-W387 HydrophobicContact CB-CB 4.41Å; L350-W387 HydrophobicContact CD2-CB 4.46Å; L350-W387 PolarHBondContact O-N 3.33Å
351	L	61.5	Low	56.1	Low	17 Å²	17	66.6 Å²	66.6	9%	0.089	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.4	170.1	-175.9	147	0	0	0	109.1	V353 C363 V384 V386	L351-V353 HydrophobicContact CD2-CG2 3.52Å; L351-C363 PolarHBondContact N-O 3.07Å; L351-C363 WeakPolarHBondContact O-CB 3.5Å; L351-C363 PolarHBondContact O-N 2.78Å; L351-V384 HydrophobicContact CD1-CG1 4.21Å; L351-V384 HydrophobicContact CD2-CG1 4.2Å; L351-V384 HydrophobicContact CG-CG1 4.22Å; L351-V386 HydrophobicContact CD1-CG2 4.06Å; L351-V386 HydrophobicContact CG-CG2 4.26Å
352	L	62.5	Low	55.8	Low	42 Å²	42	67 Å²	67	22%	0.22	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	114	-177.4	-92.5	162.3	0	0	0	109.4	L350 A362 R385	L350-L352 HydrophobicContact CD2-CD1 3.88Å; L350-L352 HydrophobicContact CD2-CG 4.23Å; L352-A362 HydrophobicContact CD2-CB 3.85Å; L352-A362 HydrophobicContact CG-CB 4.43Å; L352-R385 HydrophobicContact CB-CB 4.47Å; L352-R385 PolarHBondContact N-O 3.4Å; L352-R385 PolarHBondContact O-N 2.99Å
353	V	66.8	Low	55.6	Low	3 Å²	3	65.8 Å²	65.8	2%	0.018	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.5	172.1	-172	0	0	0	0	109.1	I338 L351 I355 I361 V382 V384	I338-V353 HydrophobicContact CD1-CG1 4.02Å; L351-V353 HydrophobicContact CD2-CG2 3.52Å; V353-I355 HydrophobicContact CG1-CD1 4.38Å; V353-I355 HydrophobicContact CG1-CG1 4.06Å; V353-I361 PolarHBondContact N-O 3.04Å; V353-I361 PolarHBondContact O-N 3.4Å; V353-V382 HydrophobicContact CG1-CG1 4Å; V353-V384 HydrophobicContact CG1-CG2 4.42Å
354	S	65.3	Low	55.3	Low	22 Å²	22	62.3 Å²	62.3	15%	0.154	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.4	172.1	-171.1	0	0	0	0	109.5	K383	S354-K383 PolarHBondContact N-O 3.24Å; S354-K383 PolarHBondContact O-N 3.43Å
355	I	65	Low	55	Low	8 Å²	8	63.2 Å²	63.2	4%	0.041	36%	0.355	C	S	.	.			trans	-113.4	128.5	174.9	-60.6	176.9	0	0	0	105.8	I338 V353 T357 Q358 V382	I338-I355 HydrophobicContact CD1-CD1 4.18Å; V353-I355 HydrophobicContact CG1-CD1 4.38Å; V353-I355 HydrophobicContact CG1-CG1 4.06Å; I355-T357 PolarHBondContact O-N 2.92Å; I355-Q358 PolarHBondContact O-N 3.2Å; I355-V382 HydrophobicContact CG1-CG1 4.36Å
356	P	57.2	Low	54.7	Low	74 Å²	74	68.6 Å²	68.6	48%	0.481	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	6	-162.7	21.1	-31.8	0	0	0	116.9	D380 R381	P356-D380 HydrophobicContact CG-CB 3.63Å; P356-R381 WeakPolarHBondContact CD-O 3.34Å
357	T	55.7	Low	54.4	Low	71 Å²	71	66.2 Å²	66.2	44%	0.436	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-4.6	175.8	51	0	0	0	0	114	I355 E374	I355-T357 PolarHBondContact O-N 2.92Å; T357-E374 PolarHBondContact OG1-O 3.45Å; T357-E374 VanDerWaalsContact OG1-O 3.13Å
358	Q	54.7	Low	54.2	Low	101 Å²	101	69.4 Å²	69.4	47%	0.472	38%	0.377	S	S	.	.	S	Bend	trans	-140.7	160.8	-174.3	-70	-177.1	-27.3	0	0	113.2	I355 S373	I355-Q358 PolarHBondContact O-N 3.2Å; Q358-S373 PolarHBondContact OE1-OG 2.99Å
359	N	52.2	Low	54	Low	154 Å²	154	71 Å²	71	82%	0.824	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-59.6	141.6	170.9	-78.4	-15.4	0	0	0	110.5	I361	N359-I361 WeakPolarHBondContact O-CG1 3.25Å; N359-I361 PolarHBondContact O-N 3.37Å
360	S	54.1	Low	53.8	Low	74 Å²	74	71.1 Å²	71.1	52%	0.517	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-50.8	127.3	175.6	-47.9	0	0	0	0	111.3
361	I	54.3	Low	53.8	Low	56 Å²	56	70.7 Å²	70.7	29%	0.287	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.8	-178.5	-38.1	172.2	0	0	0	109.2	V353 N359 Y369	V353-I361 PolarHBondContact N-O 3.04Å; V353-I361 PolarHBondContact O-N 3.4Å; N359-I361 WeakPolarHBondContact O-CG1 3.25Å; N359-I361 PolarHBondContact O-N 3.37Å; I361-Y369 VanDerWaalsContact CB-OH 3.31Å; I361-Y369 WeakPolarHBondContact CB-OH 3.5Å; I361-Y369 WeakPolarHBondContact CD1-OH 3.03Å; I361-Y369 HydrophobicContact CG2-CE2 4.42Å; I361-Y369 WeakPolarHBondContact CG2-OH 3.07Å
362	A	48.5	Very low	53.6	Low	64 Å²	64	72.8 Å²	72.8	53%	0.529	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.5	179.3	0	0	0	0	0	110.5	L350 L352	L350-A362 HydrophobicContact CD1-CB 4.47Å; L352-A362 HydrophobicContact CD2-CB 3.85Å; L352-A362 HydrophobicContact CG-CB 4.43Å
363	C	50.2	Low	53.6	Low	16 Å²	16	70.9 Å²	70.9	11%	0.108	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.6	179.4	-58.8	0	0	0	0	110.1	L351 Y369	L351-C363 PolarHBondContact N-O 3.07Å; L351-C363 WeakPolarHBondContact O-CB 3.5Å; L351-C363 PolarHBondContact O-N 2.78Å; C363-Y369 WeakPolarHBondContact SG-CD2 3.23Å; C363-Y369 WeakPolarHBondContact SG-CE2 3.29Å; C363-Y369 VanDerWaalsContact SG-CZ 3.56Å
364	L	45.9	Very low	53.7	Low	110 Å²	110	75.4 Å²	75.4	58%	0.576	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	140.4	169.8	-70.8	161.8	0	0	0	109.9	K349 L350	K349-L364 WeakPolarHBondContact O-CA 3.23Å; L350-L364 HydrophobicContact CD1-CD2 3.87Å; L350-L364 HydrophobicContact CD1-CG 4.31Å
365	T	47.2	Very low	53.8	Low	49 Å²	49	74.4 Å²	74.4	30%	0.301	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	156.1	-171.6	45.8	0	0	0	0	115.6	P342 F348 K349	P342-T365 HydrophobicContact CG-CG2 3.81Å; F348-T365 HydrophobicContact CB-CG2 4.15Å; F348-T365 WeakPolarHBondContact O-CG2 3.43Å; F348-T365 PolarHBondContact O-OG1 2.65Å; K349-T365 PolarHBondContact O-N 2.88Å
366	N	44.9	Very low	53.9	Low	162 Å²	162	78.6 Å²	78.6	87%	0.866	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	17.5	178.7	-69.7	-11	0	0	0	118.6
367	S	41.9	Very low	54.3	Low	81 Å²	81	75.8 Å²	75.8	57%	0.566	42%	0.417	S	S	*	.	S	Bend	trans	-117.3	143.3	164.5	64.4	0	0	0	0	111.8	Y369	S367-Y369 PolarHBondContact O-N 2.95Å
368	R	46.8	Very low	54.7	Low	236 Å²	236	73.4 Å²	73.4	89%	0.891	40%	0.403	S	S	*	.			trans	-66.6	102.3	169.2	-77.6	-171.7	-174	180	2	108.1
369	Y	50	Low	55.2	Low	53 Å²	53	69.9 Å²	69.9	21%	0.208	39%	0.388	C	S	.	.			trans	-79.9	142.9	175	-173.9	-111	0	0	0	111	T339 I361 C363 S367 S371	T339-Y369 VanDerWaalsContact CA-O 3.29Å; T339-Y369 WeakPolarHBondContact CA-O 3.39Å; T339-Y369 WeakPolarHBondContact CG2-O 3.32Å; T339-Y369 PolarHBondContact OG1-O 3.16Å; I361-Y369 VanDerWaalsContact CB-OH 3.31Å; I361-Y369 WeakPolarHBondContact CB-OH 3.5Å; I361-Y369 WeakPolarHBondContact CD1-OH 3.03Å; I361-Y369 HydrophobicContact CG2-CE2 4.42Å; I361-Y369 WeakPolarHBondContact CG2-OH 3.07Å; C363-Y369 WeakPolarHBondContact SG-CD2 3.23Å; C363-Y369 WeakPolarHBondContact SG-CE2 3.29Å; C363-Y369 VanDerWaalsContact SG-CZ 3.56Å; S367-Y369 PolarHBondContact O-N 2.95Å; Y369-S371 VanDerWaalsContact CE1-CB 3.48Å; Y369-S371 WeakPolarHBondContact CE1-OG 3.11Å; Y369-S371 WeakPolarHBondContact OH-CB 3.27Å
370	A	50.2	Low	56.1	Low	79 Å²	79	63.8 Å²	63.8	65%	0.653	36%	0.356	S	S	*	.			trans	-147	76.9	173.9	0	0	0	0	0	110.2
371	S	54.2	Low	57	Low	12 Å²	12	61.1 Å²	61.1	8%	0.084	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.5	159.4	54.6	0	0	0	0	109	A337 I338 Y369	A337-S371 VanDerWaalsContact CA-O 3.25Å; A337-S371 WeakPolarHBondContact CA-O 3.43Å; I338-S371 PolarHBondContact N-O 3.01Å; Y369-S371 VanDerWaalsContact CE1-CB 3.48Å; Y369-S371 WeakPolarHBondContact CE1-OG 3.11Å; Y369-S371 WeakPolarHBondContact OH-CB 3.27Å
372	S	58.5	Low	57.9	Low	62 Å²	62	58.5 Å²	58.5	43%	0.434	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.3	158.9	74.1	0	0	0	0	109.5	K335 I336	K335-S372 WeakPolarHBondContact CE-OG 3.4Å; I336-S372 WeakPolarHBondContact O-CA 3.37Å
373	S	62.9	Low	59.1	Low	2 Å²	2	56 Å²	56	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.9	179.1	-59.4	0	0	0	0	110.6	I336 Q358	I336-S373 PolarHBondContact N-O 3.34Å; I336-S373 PolarHBondContact O-N 3.45Å; Q358-S373 PolarHBondContact OE1-OG 2.99Å
374	E	67.1	Low	60.1	Low	98 Å²	98	55.3 Å²	55.3	46%	0.458	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.4	174.6	-64.8	-171.5	-175.7	0	0	110.4	T357 H376 I450	T357-E374 PolarHBondContact OG1-O 3.45Å; T357-E374 VanDerWaalsContact OG1-O 3.13Å; E374-H376 IonicContact OE2-CE1 2.75Å; E374-H376 PolarHBondContact OE2-CE1 2.97Å; E374-H376 IonicContact OE2-NE2 3.66Å; E374-I450 HydrophobicContact CG-CD1 4.15Å
375	C	68.6	Low	61.3	Low	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.3	172.3	-175.3	0	0	0	0	107.5	W332 S333 A334 I336 N377	W332-C375 HydrophobicContact CH2-CB 4.18Å; W332-C375 HydrophobicContact CZ3-CB 4.08Å; W332-C375 WeakPolarHBondContact CZ3-O 2.96Å; S333-C375 CarbonylContact C-O 3.6Å; S333-C375 WeakPolarHBondContact CA-O 3.39Å; A334-C375 PolarHBondContact N-O 2.91Å; A334-C375 PolarHBondContact O-N 3.35Å; I336-C375 HydrophobicContact CD1-CB 3.67Å; I336-C375 HydrophobicContact CG1-CB 4.08Å; C375-N377 PolarHBondContact SG-O 3.22Å
376	H	67.5	Low	62.4	Low	96 Å²	96	50.4 Å²	50.4	44%	0.444	26%	0.262	S	S	.	.			trans	-113.6	19.2	-177	-51.7	-78.6	0	0	0	112.3	W332 E374	W332-H376 CarbonylContact O-C 3.59Å; E374-H376 IonicContact OE2-CE1 2.75Å; E374-H376 PolarHBondContact OE2-CE1 2.97Å; E374-H376 IonicContact OE2-NE2 3.66Å
377	N	65.7	Low	63.4	Low	14 Å²	14	45 Å²	45	8%	0.075	23%	0.23	C	C	.	.			trans	-156	120.7	-179.3	-175.4	37.4	0	0	0	111.3	T329 W332 C375 T379 D380	T329-N377 VanDerWaalsContact CB-OD1 3.32Å; T329-N377 WeakPolarHBondContact CB-OD1 3.29Å; T329-N377 VanDerWaalsContact CG2-OD1 3.32Å; T329-N377 WeakPolarHBondContact CG2-OD1 3.13Å; T329-N377 PolarHBondContact OG1-OD1 2.82Å; W332-N377 VanDerWaalsContact CZ3-C 3.45Å; W332-N377 VanDerWaalsContact CZ3-N 3.32Å; C375-N377 PolarHBondContact SG-O 3.22Å; N377-T379 VanDerWaalsContact C-N 3.25Å; N377-T379 PolarHBondContact ND2-OG1 2.71Å; N377-T379 PolarHBondContact O-N 3.29Å; N377-D380 WeakPolarHBondContact CB-OD1 3.12Å; N377-D380 PolarHBondContact ND2-OD1 3.19Å; N377-D380 VanDerWaalsContact O-CB 3.27Å; N377-D380 WeakPolarHBondContact O-CB 3.33Å; N377-D380 PolarHBondContact O-N 2.81Å; N377-D380 VanDerWaalsContact O-N 3.15Å
378	S	64.3	Low	64.5	Low	22 Å²	22	42 Å²	42	15%	0.154	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11	-175.8	77.2	0	0	0	0	114.8	T329 D380 V416 R417	T329-S378 WeakPolarHBondContact CG2-OG 3.17Å; S378-D380 VanDerWaalsContact C-N 3.29Å; S378-V416 CarbonylContact O-C 3.59Å; S378-R417 PolarHBondContact O-N 3.45Å
379	T	64.7	Low	65	Low	26 Å²	26	33.8 Å²	33.8	16%	0.16	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	0.6	171.7	76.1	0	0	0	0	113.1	E266 N377	E266-T379 WeakPolarHBondContact OE1-CG2 3.31Å; E266-T379 WeakPolarHBondContact OE2-CG2 3.48Å; E266-T379 PolarHBondContact OE2-OG1 2.71Å; N377-T379 VanDerWaalsContact C-N 3.25Å; N377-T379 PolarHBondContact ND2-OG1 2.71Å; N377-T379 PolarHBondContact O-N 3.29Å
380	D	70.2	Confident	65.4	Low	26 Å²	26	35.6 Å²	35.6	14%	0.139	19%	0.192	C	C	.	.			trans	-66.5	159.2	174.3	-74	-0.9	0	0	0	109.8	P356 N377 S378 V416	P356-D380 HydrophobicContact CG-CB 3.63Å; N377-D380 WeakPolarHBondContact CB-OD1 3.12Å; N377-D380 PolarHBondContact ND2-OD1 3.19Å; N377-D380 VanDerWaalsContact O-CB 3.27Å; N377-D380 WeakPolarHBondContact O-CB 3.33Å; N377-D380 PolarHBondContact O-N 2.81Å; N377-D380 VanDerWaalsContact O-N 3.15Å; S378-D380 VanDerWaalsContact C-N 3.29Å; D380-V416 HydrophobicContact CB-CG2 4.13Å; D380-V416 VanDerWaalsContact O-CB 3.3Å; D380-V416 WeakPolarHBondContact O-CB 3.29Å; D380-V416 WeakPolarHBondContact O-CG2 3.21Å; D380-V416 PolarHBondContact O-N 3.33Å
381	R	72.9	Confident	65.7	Low	18 Å²	18	35.9 Å²	35.9	7%	0.068	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125	-179.7	-57.6	-170.4	-174.5	156.7	-2	108.9	E226 S257 P356 I413 E415	E226-R381 IonicContact OE1-CZ 3.89Å; E226-R381 IonicContact OE1-NH1 2.71Å; E226-R381 PolarHBondContact OE1-NH1 3.14Å; E226-R381 IonicContact OE2-CZ 3.98Å; E226-R381 IonicContact OE2-NH1 3.65Å; E226-R381 PolarHBondContact OE2-NH1 3.17Å; E226-R381 IonicContact OE2-NH2 2.69Å; E226-R381 PolarHBondContact OE2-NH2 3.21Å; S257-R381 PolarHBondContact OG-NH2 3.19Å; P356-R381 WeakPolarHBondContact CD-O 3.34Å; R381-I413 HydrophobicContact CB-CG2 3.9Å; R381-I413 HydrophobicContact CG-CG2 4.26Å; R381-E415 HydrophobicContact CG-CG 4.28Å; R381-E415 IonicContact NE-OE1 3.28Å
382	V	73.8	Confident	66.1	Low	1 Å²	1	39 Å²	39	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.7	168.9	178	0	0	0	0	107.1	I336 I338 V353 I355 V384 I414 V416	I336-V382 HydrophobicContact CD1-CG2 4.14Å; I338-V382 HydrophobicContact CD1-CG1 3.64Å; V353-V382 HydrophobicContact CG1-CG1 4Å; I355-V382 HydrophobicContact CG1-CG1 4.36Å; V382-V384 HydrophobicContact CG1-CG2 4.12Å; V382-I414 HydrophobicContact CB-CB 4.31Å; V382-I414 PolarHBondContact N-O 3.32Å; V382-I414 PolarHBondContact O-N 2.9Å; V382-V416 HydrophobicContact CG2-CG2 4.04Å
383	K	73.2	Confident	65.9	Low	13 Å²	13	43 Å²	43	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	121.3	177.7	-63.5	-175.8	-172.2	174.5	0	109	Y225 E226 E228 S354 I413	Y225-K383 PolarHBondContact O-NZ 3.14Å; E226-K383 PolarHBondContact O-NZ 3.25Å; E228-K383 WeakPolarHBondContact OE1-CD 3.49Å; E228-K383 WeakPolarHBondContact OE1-CE 3.38Å; E228-K383 IonicContact OE1-NZ 3.48Å; E228-K383 PolarHBondContact OE1-NZ 3.25Å; S354-K383 PolarHBondContact N-O 3.24Å; S354-K383 PolarHBondContact O-N 3.43Å; K383-I413 HydrophobicContact CG-CG1 4.29Å; K383-I413 HydrophobicContact CG-CG2 4.37Å
384	V	72.7	Confident	65.5	Low	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.8	179.2	-178.1	0	0	0	0	107.1	L351 V353 V382 Q411 T412 I414 M443	L351-V384 HydrophobicContact CD1-CG1 4.21Å; L351-V384 HydrophobicContact CD2-CG1 4.2Å; L351-V384 HydrophobicContact CG-CG1 4.22Å; V353-V384 HydrophobicContact CG1-CG2 4.42Å; V382-V384 HydrophobicContact CG1-CG2 4.12Å; V384-Q411 CarbonylContact O-C 3.52Å; V384-Q411 WeakPolarHBondContact O-CA 3.16Å; V384-Q411 WeakPolarHBondContact O-CB 3.3Å; V384-T412 HydrophobicContact CB-CG2 3.83Å; V384-T412 HydrophobicContact CG1-CG2 4.46Å; V384-T412 HydrophobicContact CG2-CG2 4.3Å; V384-T412 PolarHBondContact N-O 3.04Å; V384-T412 PolarHBondContact O-N 3.35Å; V384-I414 HydrophobicContact CG2-CD1 4.48Å; V384-M443 HydrophobicContact CB-SD 4.25Å; V384-M443 HydrophobicContact CG1-CE 3.88Å; V384-M443 HydrophobicContact CG1-SD 3.87Å; V384-M443 HydrophobicContact CG2-CE 4.05Å; V384-M443 HydrophobicContact CG2-SD 3.71Å
385	R	70.9	Confident	65.1	Low	51 Å²	51	46.5 Å²	46.5	19%	0.192	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.3	-179.6	-61.8	-169.7	176.1	124.6	5.6	110.1	E228 L352 W387 F408 Q411	E228-R385 IonicContact OE1-NH2 3.97Å; E228-R385 IonicContact OE2-CZ 3.23Å; E228-R385 VanDerWaalsContact OE2-CZ 3.22Å; E228-R385 IonicContact OE2-NH1 2.82Å; E228-R385 PolarHBondContact OE2-NH1 3.45Å; E228-R385 IonicContact OE2-NH2 2.76Å; E228-R385 PolarHBondContact OE2-NH2 2.95Å; L352-R385 HydrophobicContact CB-CB 4.47Å; L352-R385 PolarHBondContact N-O 3.4Å; L352-R385 PolarHBondContact O-N 2.99Å; R385-W387 HydrophobicContact CB-CZ2 4.43Å; R385-F408 HydrophobicContact CB-CE2 4.2Å; R385-F408 HydrophobicContact CG-CE2 4.24Å; R385-Q411 HydrophobicContact CG-CB 3.94Å
386	V	68.7	Low	64.6	Low	5 Å²	5	50.9 Å²	50.9	3%	0.03	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.6	-178.1	-173.3	0	0	0	0	109.3	F348 L351 L409 G410 L429	F348-V386 HydrophobicContact CD1-CG1 3.33Å; F348-V386 HydrophobicContact CE1-CG1 3.58Å; F348-V386 HydrophobicContact CG-CG1 4.27Å; L351-V386 HydrophobicContact CD1-CG2 4.06Å; L351-V386 HydrophobicContact CG-CG2 4.26Å; V386-L409 HydrophobicContact CG1-CB 4.35Å; V386-L409 HydrophobicContact CG1-CD1 4.45Å; V386-L409 PolarHBondContact O-N 3.1Å; V386-G410 PolarHBondContact N-O 3.39Å; V386-G410 PolarHBondContact O-N 2.93Å; V386-L429 HydrophobicContact CB-CD1 3.98Å; V386-L429 HydrophobicContact CG2-CD1 3.6Å; V386-L429 HydrophobicContact CG2-CD2 4.25Å
387	W	66.1	Low	64	Low	50 Å²	50	51.6 Å²	51.6	19%	0.189	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	146.6	-171.3	-52	81.4	0	0	0	110.7	L350 R385 D406 D407 F408	L350-W387 HydrophobicContact CB-CB 4.41Å; L350-W387 HydrophobicContact CD2-CB 4.46Å; L350-W387 PolarHBondContact O-N 3.33Å; R385-W387 HydrophobicContact CB-CZ2 4.43Å; W387-D406 HydrophobicContact CB-CB 4.38Å; W387-D406 HydrophobicContact CE3-CB 4.36Å; W387-D406 VanDerWaalsContact CE3-O 3.25Å; W387-D406 WeakPolarHBondContact CZ3-O 3.25Å; W387-D407 CarbonylContact C-O 3.45Å; W387-D407 VanDerWaalsContact CA-O 3.27Å; W387-D407 WeakPolarHBondContact CA-O 3.49Å; W387-F408 HydrophobicContact CD2-CD2 4.19Å; W387-F408 HydrophobicContact CE3-CB 3.89Å; W387-F408 HydrophobicContact CE3-CD2 4.13Å; W387-F408 HydrophobicContact CH2-CB 4.36Å; W387-F408 AromaticContact CH2-CD2 3.86Å; W387-F408 HydrophobicContact CH2-CD2 3.86Å; W387-F408 AromaticContact CZ2-CD2 3.9Å; W387-F408 HydrophobicContact CZ2-CD2 3.9Å; W387-F408 HydrophobicContact CZ2-CE2 4.47Å; W387-F408 HydrophobicContact CZ3-CB 3.72Å; W387-F408 AromaticContact CZ3-CD2 3.98Å; W387-F408 HydrophobicContact CZ3-CD2 3.98Å; W387-F408 HydrophobicContact CZ3-CG 4.32Å
388	D	65	Low	63.5	Low	16 Å²	16	58.3 Å²	58.3	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126	170.9	-145.2	-31.2	0	0	0	109.3	D390 D407 L409	D388-D390 PolarHBondContact O-N 2.93Å; D388-D407 HydrophobicContact CB-CB 4.09Å; D388-D407 PolarHBondContact N-O 2.59Å; D388-D407 PolarHBondContact O-N 2.73Å; D388-L409 HydrophobicContact CB-CD1 3.69Å; D388-L409 HydrophobicContact CB-CD2 4.04Å; D388-L409 HydrophobicContact CB-CG 3.91Å
389	E	58.5	Low	63.1	Low	65 Å²	65	62 Å²	62	30%	0.304	30%	0.295	S	S	.	.			trans	-102	80	177.6	-164.5	-169.9	-152.5	0	0	108.6	K349 N391	K349-E389 HydrophobicContact CB-CB 3.94Å; K349-E389 HydrophobicContact CD-CB 4.25Å; K349-E389 PolarHBondContact NZ-O 3.45Å; K349-E389 VanDerWaalsContact NZ-O 3.17Å; E389-N391 PolarHBondContact O-N 3.47Å; E389-N391 VanDerWaalsContact O-N 3.12Å
390	D	57.1	Low	62.8	Low	90 Å²	90	70 Å²	70	48%	0.481	33%	0.328	S	S	.	.			trans	-74.5	101.8	-176.7	-127.8	-2.2	0	0	0	109.5	D388 D392 S395	D388-D390 PolarHBondContact O-N 2.93Å; D390-D392 VanDerWaalsContact C-N 3.28Å; D390-D392 PolarHBondContact O-N 3.48Å; D390-S395 WeakPolarHBondContact O-CB 3.38Å; D390-S395 PolarHBondContact O-OG 3.2Å
391	N	56.7	Low	61.7	Low	86 Å²	86	75.4 Å²	75.4	46%	0.46	36%	0.356	S	S	.	.			trans	-89.5	11.3	-168.8	-123.6	-67.8	0	0	0	113.6	E389 K396	E389-N391 PolarHBondContact O-N 3.47Å; E389-N391 VanDerWaalsContact O-N 3.12Å; N391-K396 PolarHBondContact O-NZ 3.3Å; N391-K396 WeakPolarHBondContact OD1-CE 3.43Å; N391-K396 PolarHBondContact OD1-NZ 2.66Å
392	D	62.3	Low	60.6	Low	77 Å²	77	77.9 Å²	77.9	41%	0.412	37%	0.373	S	S	.	.	S	Bend	trans	-71.1	166.9	-173.9	97.5	-19.1	0	0	0	112.8	D390 K394 S395 K396	D390-D392 VanDerWaalsContact C-N 3.28Å; D390-D392 PolarHBondContact O-N 3.48Å; D392-K394 PolarHBondContact O-N 2.98Å; D392-K394 WeakPolarHBondContact OD1-CA 3.48Å; D392-K394 WeakPolarHBondContact OD1-CB 3.31Å; D392-K394 PolarHBondContact OD1-N 3.33Å; D392-K394 WeakPolarHBondContact OD2-CB 3.43Å; D392-S395 PolarHBondContact O-OG 3.45Å; D392-S395 WeakPolarHBondContact OD1-CB 3.46Å; D392-S395 PolarHBondContact OD1-N 3.3Å; D392-S395 PolarHBondContact OD1-OG 3.06Å; D392-K396 PolarHBondContact O-N 3.03Å
393	L	54.5	Low	59.3	Low	147 Å²	147	89.2 Å²	89.2	77%	0.77	42%	0.416	S	S	*	.	H	α-helix	trans	-70.1	-22.6	-177.7	-165.4	69	0	0	0	111.7	L397	L393-L397 PolarHBondContact O-N 3.41Å; L393-L397 VanDerWaalsContact O-N 3.07Å
394	K	56.2	Low	57.8	Low	151 Å²	151	94.1 Å²	94.1	66%	0.657	44%	0.438	S	S	*	.	H	α-helix	trans	-80.7	-39.5	-174.2	-162.6	-180	-178.3	-176.8	0	111.1	D392 L397 R398	D392-K394 PolarHBondContact O-N 2.98Å; D392-K394 WeakPolarHBondContact OD1-CA 3.48Å; D392-K394 WeakPolarHBondContact OD1-CB 3.31Å; D392-K394 PolarHBondContact OD1-N 3.33Å; D392-K394 WeakPolarHBondContact OD2-CB 3.43Å; K394-L397 PolarHBondContact O-N 2.83Å; K394-R398 PolarHBondContact O-N 2.85Å
395	S	56.7	Low	57	Low	21 Å²	21	98.6 Å²	98.6	15%	0.147	47%	0.47	C	S	.	.	H	α-helix	trans	-66.1	-42.4	170.7	72.4	0	0	0	0	110.6	D390 D392 L397 R398 Q399	D390-S395 WeakPolarHBondContact O-CB 3.38Å; D390-S395 PolarHBondContact O-OG 3.2Å; D392-S395 PolarHBondContact O-OG 3.45Å; D392-S395 WeakPolarHBondContact OD1-CB 3.46Å; D392-S395 PolarHBondContact OD1-N 3.3Å; D392-S395 PolarHBondContact OD1-OG 3.06Å; S395-L397 VanDerWaalsContact C-N 3.3Å; S395-L397 PolarHBondContact O-N 2.91Å; S395-R398 CarbonylContact O-C 3.59Å; S395-R398 PolarHBondContact O-N 3.36Å; S395-R398 VanDerWaalsContact O-N 3.14Å; S395-Q399 WeakPolarHBondContact O-CB 3.3Å; S395-Q399 WeakPolarHBondContact O-CG 3.44Å; S395-Q399 PolarHBondContact O-N 2.79Å
396	K	58.7	Low	56.6	Low	94 Å²	94	99.1 Å²	99.1	41%	0.409	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-33	173.7	-74.2	170.8	-179.9	152.8	0	113	N391 D392	N391-K396 PolarHBondContact O-NZ 3.3Å; N391-K396 WeakPolarHBondContact OD1-CE 3.43Å; N391-K396 PolarHBondContact OD1-NZ 2.66Å; D392-K396 PolarHBondContact O-N 3.03Å
397	L	55.3	Low	56.3	Low	111 Å²	111	103.9 Å²	103.9	58%	0.581	50%	0.502	S	S	*	.	H	α-helix	trans	-72.3	-41.5	171.8	-141.3	80.6	0	0	0	111.5	L393 K394 S395 K400 L401	L393-L397 PolarHBondContact O-N 3.41Å; L393-L397 VanDerWaalsContact O-N 3.07Å; K394-L397 PolarHBondContact O-N 2.83Å; S395-L397 VanDerWaalsContact C-N 3.3Å; S395-L397 PolarHBondContact O-N 2.91Å; L397-K400 PolarHBondContact O-N 2.87Å; L397-L401 HydrophobicContact CG-CD1 4.4Å; L397-L401 PolarHBondContact O-N 3.4Å
398	R	55.3	Low	56.3	Low	154 Å²	154	103.4 Å²	103.4	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-63.7	-47.1	174.7	-83.1	-174.4	166.4	-163.5	-6	112.7	K394 S395 K400 L401 T402	K394-R398 PolarHBondContact O-N 2.85Å; S395-R398 CarbonylContact O-C 3.59Å; S395-R398 PolarHBondContact O-N 3.36Å; S395-R398 VanDerWaalsContact O-N 3.14Å; R398-K400 PolarHBondContact O-N 3.45Å; R398-K400 VanDerWaalsContact O-N 3.1Å; R398-L401 CarbonylContact O-C 3.56Å; R398-L401 PolarHBondContact O-N 3.25Å; R398-T402 PolarHBondContact O-N 2.95Å; R398-T402 PolarHBondContact O-OG1 3.2Å; R398-T402 VanDerWaalsContact O-OG1 3.1Å
399	Q	56.1	Low	56.2	Low	101 Å²	101	103.9 Å²	103.9	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-53.3	-34.3	175.7	-80.3	-177.2	-16.4	0	0	112.3	S395	S395-Q399 WeakPolarHBondContact O-CB 3.3Å; S395-Q399 WeakPolarHBondContact O-CG 3.44Å; S395-Q399 PolarHBondContact O-N 2.79Å
400	K	57.1	Low	56.7	Low	194 Å²	194	100.8 Å²	100.8	84%	0.843	49%	0.489	S	S	*	.	H	α-helix	trans	-78.5	-18.1	174.3	-78.8	-173.4	174.3	-177.9	0	115.3	L397 R398	L397-K400 PolarHBondContact O-N 2.87Å; R398-K400 PolarHBondContact O-N 3.45Å; R398-K400 VanDerWaalsContact O-N 3.1Å
401	L	48.7	Very low	57.4	Low	139 Å²	139	98.2 Å²	98.2	73%	0.728	47%	0.474	S	S	*	.	H	α-helix	trans	-114.1	-36.1	-172.1	-83.2	161.6	0	0	0	114.6	L397 R398	L397-L401 HydrophobicContact CG-CD1 4.4Å; L397-L401 PolarHBondContact O-N 3.4Å; R398-L401 CarbonylContact O-C 3.56Å; R398-L401 PolarHBondContact O-N 3.25Å
402	T	49.3	Very low	58.2	Low	69 Å²	69	94.7 Å²	94.7	42%	0.423	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-14.8	-173.8	59.5	0	0	0	0	114.3	R398 E404	R398-T402 PolarHBondContact O-N 2.95Å; R398-T402 PolarHBondContact O-OG1 3.2Å; R398-T402 VanDerWaalsContact O-OG1 3.1Å; T402-E404 WeakPolarHBondContact CB-OE2 3.32Å; T402-E404 PolarHBondContact O-N 3.47Å; T402-E404 PolarHBondContact OG1-OE2 3.03Å
403	R	46.7	Very low	58.8	Low	240 Å²	240	92.3 Å²	92.3	91%	0.906	44%	0.443	S	S	*	.			trans	56.2	29.5	-177.4	-158.9	179.1	178.3	157.4	1.1	112.8
404	E	42.4	Very low	59.7	Low	115 Å²	115	85.3 Å²	85.3	54%	0.537	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-80.9	140.3	173.2	-69.3	165.3	143.5	0	0	109.9	T402	T402-E404 WeakPolarHBondContact CB-OE2 3.32Å; T402-E404 PolarHBondContact O-N 3.47Å; T402-E404 PolarHBondContact OG1-OE2 3.03Å
405	S	54.5	Low	60.5	Low	94 Å²	94	79.9 Å²	79.9	66%	0.657	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-85.5	168.1	-179	54.4	0	0	0	0	112.4
406	D	62.1	Low	61.3	Low	62 Å²	62	79 Å²	79	33%	0.332	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-46.2	148.7	174.4	-46.9	-36.4	0	0	0	113.1	W387 F408	W387-D406 HydrophobicContact CB-CB 4.38Å; W387-D406 HydrophobicContact CE3-CB 4.36Å; W387-D406 VanDerWaalsContact CE3-O 3.25Å; W387-D406 WeakPolarHBondContact CZ3-O 3.25Å; D406-F408 PolarHBondContact O-N 3.15Å
407	D	63.4	Low	61.8	Low	105 Å²	105	77.7 Å²	77.7	56%	0.561	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.4	-172.9	-91.7	-11.6	0	0	0	111.2	W387 D388 L409	W387-D407 CarbonylContact C-O 3.45Å; W387-D407 VanDerWaalsContact CA-O 3.27Å; W387-D407 WeakPolarHBondContact CA-O 3.49Å; D388-D407 HydrophobicContact CB-CB 4.09Å; D388-D407 PolarHBondContact N-O 2.59Å; D388-D407 PolarHBondContact O-N 2.73Å; D407-L409 PolarHBondContact O-N 2.81Å
408	F	66	Low	62.4	Low	41 Å²	41	72.5 Å²	72.5	18%	0.18	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.9	-178	179.2	-106.1	0	0	0	111.7	R385 W387 D406 G410 Q411 Q431 T432	R385-F408 HydrophobicContact CB-CE2 4.2Å; R385-F408 HydrophobicContact CG-CE2 4.24Å; W387-F408 HydrophobicContact CD2-CD2 4.19Å; W387-F408 HydrophobicContact CE3-CB 3.89Å; W387-F408 HydrophobicContact CE3-CD2 4.13Å; W387-F408 HydrophobicContact CH2-CB 4.36Å; W387-F408 AromaticContact CH2-CD2 3.86Å; W387-F408 HydrophobicContact CH2-CD2 3.86Å; W387-F408 AromaticContact CZ2-CD2 3.9Å; W387-F408 HydrophobicContact CZ2-CD2 3.9Å; W387-F408 HydrophobicContact CZ2-CE2 4.47Å; W387-F408 HydrophobicContact CZ3-CB 3.72Å; W387-F408 AromaticContact CZ3-CD2 3.98Å; W387-F408 HydrophobicContact CZ3-CD2 3.98Å; W387-F408 HydrophobicContact CZ3-CG 4.32Å; D406-F408 PolarHBondContact O-N 3.15Å; F408-G410 WeakPolarHBondContact CE2-O 3.41Å; F408-Q411 HydrophobicContact CE2-CB 4.13Å; F408-Q411 HydrophobicContact CZ-CB 3.75Å; F408-Q411 HydrophobicContact CZ-CG 3.87Å; F408-Q431 PolarHBondContact O-NE2 3.16Å; F408-Q431 VanDerWaalsContact O-NE2 3.07Å; F408-T432 HydrophobicContact CE1-CG2 4.1Å
409	L	63.2	Low	62.9	Low	25 Å²	25	65.7 Å²	65.7	13%	0.131	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-22.9	-179	-65.3	175.7	0	0	0	113	F348 V386 D388 D407	F348-L409 HydrophobicContact CD1-CD1 3.44Å; F348-L409 VanDerWaalsContact CD1-CD1 3.44Å; F348-L409 HydrophobicContact CE1-CB 4.03Å; F348-L409 HydrophobicContact CE1-CD1 3.41Å; F348-L409 VanDerWaalsContact CE1-CD1 3.41Å; F348-L409 HydrophobicContact CE1-CG 4.31Å; V386-L409 HydrophobicContact CG1-CB 4.35Å; V386-L409 HydrophobicContact CG1-CD1 4.45Å; V386-L409 PolarHBondContact O-N 3.1Å; D388-L409 HydrophobicContact CB-CD1 3.69Å; D388-L409 HydrophobicContact CB-CD2 4.04Å; D388-L409 HydrophobicContact CB-CG 3.91Å; D407-L409 PolarHBondContact O-N 2.81Å
410	G	68.1	Low	63.2	Low	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.8	176.6	171.2	0	0	0	0	0	113.7	V386 F408 E430	V386-G410 PolarHBondContact N-O 3.39Å; V386-G410 PolarHBondContact O-N 2.93Å; F408-G410 WeakPolarHBondContact CE2-O 3.41Å; G410-E430 CarbonylContact C-O 3.55Å; G410-E430 WeakPolarHBondContact CA-O 3.5Å
411	Q	71.6	Confident	63.5	Low	37 Å²	37	52.1 Å²	52.1	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	156.5	177	68.5	-178.1	8	0	0	113.4	V384 R385 F408 L429 E430	V384-Q411 CarbonylContact O-C 3.52Å; V384-Q411 WeakPolarHBondContact O-CA 3.16Å; V384-Q411 WeakPolarHBondContact O-CB 3.3Å; R385-Q411 HydrophobicContact CG-CB 3.94Å; F408-Q411 HydrophobicContact CE2-CB 4.13Å; F408-Q411 HydrophobicContact CZ-CB 3.75Å; F408-Q411 HydrophobicContact CZ-CG 3.87Å; Q411-L429 CarbonylContact O-C 3.28Å; Q411-L429 WeakPolarHBondContact O-CA 3.38Å; Q411-E430 PolarHBondContact N-O 3.3Å; Q411-E430 PolarHBondContact O-N 3.47Å
412	T	73.4	Confident	64.1	Low	11 Å²	11	51.5 Å²	51.5	7%	0.067	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.5	161.2	-170.2	0	0	0	0	110	V384 I414 Y427 N428 L429	V384-T412 HydrophobicContact CB-CG2 3.83Å; V384-T412 HydrophobicContact CG1-CG2 4.46Å; V384-T412 HydrophobicContact CG2-CG2 4.3Å; V384-T412 PolarHBondContact N-O 3.04Å; V384-T412 PolarHBondContact O-N 3.35Å; T412-I414 HydrophobicContact CG2-CG1 4.4Å; T412-Y427 HydrophobicContact CG2-CG 4.2Å; T412-N428 WeakPolarHBondContact CB-O 3.16Å; T412-L429 HydrophobicContact CG2-CD2 4.09Å
413	I	75	Confident	64.6	Low	27 Å²	27	48.2 Å²	48.2	14%	0.138	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	109.4	-176.7	-57.9	-174.9	0	0	0	107.8	R381 K383	R381-I413 HydrophobicContact CB-CG2 3.9Å; R381-I413 HydrophobicContact CG-CG2 4.26Å; K383-I413 HydrophobicContact CG-CG1 4.29Å; K383-I413 HydrophobicContact CG-CG2 4.37Å
414	I	74.4	Confident	65.5	Low	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.2	-175.8	-48	173.3	0	0	0	107.8	V382 V384 T412 V416 L419 Y427 M443 I445	V382-I414 HydrophobicContact CB-CB 4.31Å; V382-I414 PolarHBondContact N-O 3.32Å; V382-I414 PolarHBondContact O-N 2.9Å; V384-I414 HydrophobicContact CG2-CD1 4.48Å; T412-I414 HydrophobicContact CG2-CG1 4.4Å; I414-V416 PolarHBondContact O-N 3.04Å; I414-L419 HydrophobicContact CG2-CD2 3.72Å; I414-L419 HydrophobicContact CG2-CG 4.21Å; I414-Y427 HydrophobicContact CD1-CD1 4.27Å; I414-Y427 HydrophobicContact CD1-CD2 4.11Å; I414-Y427 HydrophobicContact CD1-CE1 3.85Å; I414-Y427 HydrophobicContact CD1-CE2 3.67Å; I414-Y427 HydrophobicContact CD1-CG 4.39Å; I414-Y427 HydrophobicContact CG1-CD1 4.13Å; I414-Y427 HydrophobicContact CG1-CE1 3.75Å; I414-Y427 HydrophobicContact CG1-CE2 4.48Å; I414-Y427 HydrophobicContact CG2-CE1 4.27Å; I414-M443 HydrophobicContact CD1-SD 4.36Å; I414-I445 HydrophobicContact CD1-CD1 3.54Å
415	E	73.6	Confident	66.7	Low	37 Å²	37	35.8 Å²	35.8	17%	0.173	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.3	176.5	-59.7	-172.1	142.1	0	0	110.1	S257 R381 R417 T418	S257-E415 PolarHBondContact OG-OE1 3.33Å; R381-E415 HydrophobicContact CG-CG 4.28Å; R381-E415 IonicContact NE-OE1 3.28Å; E415-R417 HydrophobicContact CB-CG 4.04Å; E415-R417 VanDerWaalsContact CD-NH2 3.29Å; E415-R417 PolarHBondContact O-N 2.7Å; E415-R417 IonicContact OE1-NH2 2.76Å; E415-R417 PolarHBondContact OE1-NH2 3.39Å; E415-R417 VanDerWaalsContact OE1-NH2 3.15Å; E415-R417 IonicContact OE2-CZ 3.42Å; E415-R417 IonicContact OE2-NE 3.91Å; E415-R417 PolarHBondContact OE2-NE 3.3Å; E415-R417 IonicContact OE2-NH2 3.22Å; E415-R417 PolarHBondContact OE2-NH2 3.27Å; E415-T418 HydrophobicContact CB-CG2 4.48Å; E415-T418 PolarHBondContact O-N 3.29Å; E415-T418 PolarHBondContact O-OG1 3.33Å
416	V	72.1	Confident	67.4	Low	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-62.7	-19.4	-170.7	171.1	0	0	0	0	113.1	W332 I336 S378 D380 V382 I414 T418 L419 F447	W332-V416 HydrophobicContact CH2-CG1 3.15Å; W332-V416 HydrophobicContact CZ2-CG1 3.47Å; W332-V416 VanDerWaalsContact CZ2-CG1 3.47Å; W332-V416 HydrophobicContact CZ3-CG1 4.15Å; I336-V416 HydrophobicContact CD1-CG1 4.35Å; I336-V416 HydrophobicContact CD1-CG2 4.01Å; S378-V416 CarbonylContact O-C 3.59Å; D380-V416 HydrophobicContact CB-CG2 4.13Å; D380-V416 VanDerWaalsContact O-CB 3.3Å; D380-V416 WeakPolarHBondContact O-CB 3.29Å; D380-V416 WeakPolarHBondContact O-CG2 3.21Å; D380-V416 PolarHBondContact O-N 3.33Å; V382-V416 HydrophobicContact CG2-CG2 4.04Å; I414-V416 PolarHBondContact O-N 3.04Å; V416-T418 VanDerWaalsContact C-N 3.28Å; V416-T418 PolarHBondContact O-N 3.35Å; V416-L419 HydrophobicContact CG2-CD1 4.27Å; V416-L419 WeakPolarHBondContact O-CB 3.05Å; V416-L419 PolarHBondContact O-N 3.31Å; V416-F447 HydrophobicContact CG1-CE2 4.22Å
417	R	68.7	Low	67.7	Low	68 Å²	68	30.7 Å²	30.7	26%	0.257	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-65.7	-20.9	171.9	63.6	176.1	169.8	-165.7	-4.8	115.2	S257 S378 E415	S257-R417 PolarHBondContact O-NH2 2.8Å; S378-R417 PolarHBondContact O-N 3.45Å; E415-R417 HydrophobicContact CB-CG 4.04Å; E415-R417 VanDerWaalsContact CD-NH2 3.29Å; E415-R417 PolarHBondContact O-N 2.7Å; E415-R417 IonicContact OE1-NH2 2.76Å; E415-R417 PolarHBondContact OE1-NH2 3.39Å; E415-R417 VanDerWaalsContact OE1-NH2 3.15Å; E415-R417 IonicContact OE2-CZ 3.42Å; E415-R417 IonicContact OE2-NE 3.91Å; E415-R417 PolarHBondContact OE2-NE 3.3Å; E415-R417 IonicContact OE2-NH2 3.22Å; E415-R417 PolarHBondContact OE2-NH2 3.27Å
418	T	68.3	Low	68	Low	2 Å²	2	27.3 Å²	27.3	1%	0.012	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-84.7	-17.9	174.6	69.4	0	0	0	0	111.9	E415 V416 S420 V460 Y488	E415-T418 HydrophobicContact CB-CG2 4.48Å; E415-T418 PolarHBondContact O-N 3.29Å; E415-T418 PolarHBondContact O-OG1 3.33Å; V416-T418 VanDerWaalsContact C-N 3.28Å; V416-T418 PolarHBondContact O-N 3.35Å; T418-S420 PolarHBondContact O-OG 3.43Å; T418-S420 VanDerWaalsContact O-OG 3.12Å; T418-V460 HydrophobicContact CG2-CG2 4.35Å; T418-Y488 WeakPolarHBondContact CB-O 3.49Å; T418-Y488 WeakPolarHBondContact CG2-O 3.45Å
419	L	67.2	Low	68	Low	10 Å²	10	26.2 Å²	26.2	5%	0.052	13%	0.127	C	C	.	.			trans	-74	137.1	-176.3	-62.2	179.9	0	0	0	113	I336 I414 V416 M423 I445 F447	I336-L419 HydrophobicContact CD1-CD1 3.93Å; I336-L419 HydrophobicContact CG2-CD1 4.09Å; I414-L419 HydrophobicContact CG2-CD2 3.72Å; I414-L419 HydrophobicContact CG2-CG 4.21Å; V416-L419 HydrophobicContact CG2-CD1 4.27Å; V416-L419 WeakPolarHBondContact O-CB 3.05Å; V416-L419 PolarHBondContact O-N 3.31Å; L419-M423 VanDerWaalsContact CA-SD 3.55Å; L419-M423 HydrophobicContact CB-SD 4.29Å; L419-M423 HydrophobicContact CD2-CE 4.13Å; L419-M423 HydrophobicContact CD2-SD 3.72Å; L419-I445 HydrophobicContact CD1-CG2 4.49Å; L419-I445 HydrophobicContact CD2-CD1 4.27Å; L419-I445 HydrophobicContact CD2-CG2 3.96Å; L419-F447 HydrophobicContact CB-CB 4.05Å; L419-F447 HydrophobicContact CB-CD1 4.1Å; L419-F447 HydrophobicContact CB-CD2 3.41Å; L419-F447 VanDerWaalsContact CB-CD2 3.41Å; L419-F447 HydrophobicContact CB-CE1 4.48Å; L419-F447 HydrophobicContact CB-CE2 3.86Å; L419-F447 HydrophobicContact CB-CG 3.58Å; L419-F447 HydrophobicContact CB-CZ 4.4Å; L419-F447 HydrophobicContact CD1-CD2 3.9Å; L419-F447 HydrophobicContact CD1-CE2 4.47Å; L419-F447 HydrophobicContact CG-CD2 4.32Å; L419-F447 WeakPolarHBondContact O-CE1 3.17Å
420	S	62.5	Low	68.1	Low	2 Å²	2	30.2 Å²	30.2	1%	0.014	15%	0.146	C	C	.	.			trans	-167.4	104.3	-165.2	43.2	0	0	0	0	113.9	T418 M423 V455 A456 I457	T418-S420 PolarHBondContact O-OG 3.43Å; T418-S420 VanDerWaalsContact O-OG 3.12Å; S420-M423 PolarHBondContact N-SD 2.84Å; S420-M423 VanDerWaalsContact O-CG 3.29Å; S420-M423 WeakPolarHBondContact O-CG 3.28Å; S420-V455 CarbonylContact C-O 3.6Å; S420-A456 WeakPolarHBondContact CB-O 3.39Å; S420-A456 PolarHBondContact OG-O 2.99Å; S420-I457 WeakPolarHBondContact OG-CA 3.3Å
421	G	63.2	Low	67.7	Low	9 Å²	9	33.4 Å²	33.4	9%	0.093	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64	-146.7	-179.9	0	0	0	0	0	111.9	F447 V455	G421-F447 WeakPolarHBondContact CA-O 3.31Å; G421-F447 PolarHBondContact N-O 2.81Å; G421-F447 WeakPolarHBondContact O-CA 3.06Å; G421-F447 WeakPolarHBondContact O-CB 3.39Å; G421-F447 PolarHBondContact O-N 3.42Å; G421-V455 VanDerWaalsContact CA-O 3.3Å; G421-V455 WeakPolarHBondContact CA-O 3.49Å; G421-V455 PolarHBondContact N-O 3.31Å
422	E	60	Low	66.6	Low	125 Å²	125	37.3 Å²	37.3	58%	0.584	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	123.4	174.5	-57.6	-168.6	125.6	0	0	109.8	S446 I457	E422-S446 PolarHBondContact OE1-OG 2.93Å; E422-I457 WeakPolarHBondContact O-CD1 3.38Å; E422-I457 WeakPolarHBondContact O-CG1 3.31Å
423	M	61.3	Low	65.4	Low	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	108	-171.2	-58.9	178.8	53.9	0	0	111	L419 S420 V425 S444 I445 I457 F458	L419-M423 VanDerWaalsContact CA-SD 3.55Å; L419-M423 HydrophobicContact CB-SD 4.29Å; L419-M423 HydrophobicContact CD2-CE 4.13Å; L419-M423 HydrophobicContact CD2-SD 3.72Å; S420-M423 PolarHBondContact N-SD 2.84Å; S420-M423 VanDerWaalsContact O-CG 3.29Å; S420-M423 WeakPolarHBondContact O-CG 3.28Å; M423-V425 HydrophobicContact CB-CG2 4.11Å; M423-V425 HydrophobicContact CE-CG2 4.11Å; M423-S444 CarbonylContact O-C 3.52Å; M423-S444 WeakPolarHBondContact O-CA 3.38Å; M423-I445 HydrophobicContact CB-CB 4.47Å; M423-I445 PolarHBondContact N-O 3.3Å; M423-I445 PolarHBondContact O-N 2.93Å; M423-I457 HydrophobicContact CB-CG2 4.12Å; M423-I457 HydrophobicContact CE-CG2 4.15Å; M423-I457 HydrophobicContact CG-CB 4.28Å; M423-I457 HydrophobicContact CG-CG1 4.04Å; M423-I457 HydrophobicContact CG-CG2 3.93Å; M423-F458 WeakPolarHBondContact CE-O 3.3Å
424	D	65	Low	63.7	Low	93 Å²	93	47.2 Å²	47.2	50%	0.497	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	98.7	170.9	-68.4	-34.4	0	0	0	109.3	F442 S444	D424-F442 HydrophobicContact CB-CE2 4.03Å; D424-F442 HydrophobicContact CB-CZ 3.89Å; D424-S444 WeakPolarHBondContact OD1-CA 3.43Å; D424-S444 WeakPolarHBondContact OD1-CB 3.44Å; D424-S444 PolarHBondContact OD1-OG 3.35Å
425	V	66.7	Low	62	Low	2 Å²	2	56.1 Å²	56.1	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133.6	-169.3	179	0	0	0	0	111.7	M423 Y427 M443 I457	M423-V425 HydrophobicContact CB-CG2 4.11Å; M423-V425 HydrophobicContact CE-CG2 4.11Å; V425-Y427 HydrophobicContact CB-CD2 4.27Å; V425-Y427 HydrophobicContact CB-CE2 3.58Å; V425-Y427 HydrophobicContact CG1-CD1 4.31Å; V425-Y427 HydrophobicContact CG1-CD2 3.96Å; V425-Y427 HydrophobicContact CG1-CE1 3.91Å; V425-Y427 HydrophobicContact CG1-CE2 3.53Å; V425-Y427 HydrophobicContact CG1-CG 4.32Å; V425-Y427 VanDerWaalsContact CG1-CZ 3.49Å; V425-Y427 WeakPolarHBondContact O-CD2 3.1Å; V425-M443 PolarHBondContact N-O 2.8Å; V425-M443 PolarHBondContact O-N 2.95Å; V425-I457 HydrophobicContact CG2-CG2 4.26Å
426	W	69.7	Low	60.6	Low	44 Å²	44	58 Å²	58	17%	0.167	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123	165.6	-66.7	92	0	0	0	110	L344 R440 F442 A544 N546	L344-W426 HydrophobicContact CD1-CE3 4.07Å; L344-W426 HydrophobicContact CD1-CH2 4.4Å; L344-W426 HydrophobicContact CD1-CZ3 3.58Å; L344-W426 HydrophobicContact CG-CZ3 4.19Å; W426-R440 HydrophobicContact CE3-CB 4.04Å; W426-F442 AromaticContact CD1-CD2 3.98Å; W426-F442 HydrophobicContact CD2-CB 3.93Å; W426-F442 AromaticContact CD2-CD2 3.89Å; W426-F442 HydrophobicContact CD2-CD2 3.89Å; W426-F442 HydrophobicContact CD2-CG 4.4Å; W426-F442 AromaticContact CE2-CD2 3.59Å; W426-F442 HydrophobicContact CE3-CB 3.69Å; W426-F442 HydrophobicContact CG-CD2 4.15Å; W426-F442 HydrophobicContact CH2-CB 3.81Å; W426-F442 HydrophobicContact CZ2-CB 4.01Å; W426-F442 HydrophobicContact CZ2-CD2 4.02Å; W426-F442 HydrophobicContact CZ2-CG 4.27Å; W426-F442 HydrophobicContact CZ3-CB 3.64Å; W426-F442 AromaticContact NE1-CD2 3.63Å; W426-A544 WeakPolarHBondContact CB-O 3.47Å; W426-A544 HydrophobicContact CD2-CB 3.73Å; W426-A544 HydrophobicContact CE3-CB 3.82Å; W426-A544 HydrophobicContact CG-CB 4.13Å; W426-A544 HydrophobicContact CH2-CB 4.47Å; W426-A544 HydrophobicContact CZ2-CB 4.43Å; W426-A544 HydrophobicContact CZ3-CB 4.19Å; W426-N546 PolarHBondContact N-OD1 2.95Å; W426-N546 PolarHBondContact O-ND2 3.49Å
427	Y	69.3	Low	59.4	Low	4 Å²	4	59.3 Å²	59.3	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.6	176.3	-65.8	-87.4	0	0	0	110.4	T412 I414 V425 R440 A441 M443 I445 V460	T412-Y427 HydrophobicContact CG2-CG 4.2Å; I414-Y427 HydrophobicContact CD1-CD1 4.27Å; I414-Y427 HydrophobicContact CD1-CD2 4.11Å; I414-Y427 HydrophobicContact CD1-CE1 3.85Å; I414-Y427 HydrophobicContact CD1-CE2 3.67Å; I414-Y427 HydrophobicContact CD1-CG 4.39Å; I414-Y427 HydrophobicContact CG1-CD1 4.13Å; I414-Y427 HydrophobicContact CG1-CE1 3.75Å; I414-Y427 HydrophobicContact CG1-CE2 4.48Å; I414-Y427 HydrophobicContact CG2-CE1 4.27Å; V425-Y427 HydrophobicContact CB-CD2 4.27Å; V425-Y427 HydrophobicContact CB-CE2 3.58Å; V425-Y427 HydrophobicContact CG1-CD1 4.31Å; V425-Y427 HydrophobicContact CG1-CD2 3.96Å; V425-Y427 HydrophobicContact CG1-CE1 3.91Å; V425-Y427 HydrophobicContact CG1-CE2 3.53Å; V425-Y427 HydrophobicContact CG1-CG 4.32Å; V425-Y427 VanDerWaalsContact CG1-CZ 3.49Å; V425-Y427 WeakPolarHBondContact O-CD2 3.1Å; Y427-R440 CarbonylContact O-C 3.47Å; Y427-R440 VanDerWaalsContact O-CA 3.23Å; Y427-R440 WeakPolarHBondContact O-CA 3.44Å; Y427-A441 PolarHBondContact N-O 3.46Å; Y427-A441 PolarHBondContact O-N 3.26Å; Y427-M443 HydrophobicContact CD2-CB 4.15Å; Y427-M443 HydrophobicContact CD2-CG 4.16Å; Y427-M443 HydrophobicContact CE2-CB 4.12Å; Y427-I445 HydrophobicContact CE2-CD1 4.03Å; Y427-V460 HydrophobicContact CE1-CG2 4.37Å
428	N	68.8	Low	58.5	Low	34 Å²	34	59.3 Å²	59.3	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	140	165.5	-69.2	-41.2	0	0	0	109.8	T412 V438 R440	T412-N428 WeakPolarHBondContact CB-O 3.16Å; N428-V438 VanDerWaalsContact OD1-CG1 3.32Å; N428-V438 WeakPolarHBondContact OD1-CG1 3.41Å; N428-R440 PolarHBondContact ND2-NH2 3.43Å; N428-R440 WeakPolarHBondContact OD1-CG 3.05Å; N428-R440 PolarHBondContact OD1-NE 3.23Å
429	L	66.6	Low	58	Low	18 Å²	18	60.4 Å²	60.4	9%	0.094	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-95.3	122.1	169.4	-62.2	-178.6	0	0	0	109.9	V386 Q411 T412 I439 A441	V386-L429 HydrophobicContact CB-CD1 3.98Å; V386-L429 HydrophobicContact CG2-CD1 3.6Å; V386-L429 HydrophobicContact CG2-CD2 4.25Å; Q411-L429 CarbonylContact O-C 3.28Å; Q411-L429 WeakPolarHBondContact O-CA 3.38Å; T412-L429 HydrophobicContact CG2-CD2 4.09Å; L429-I439 HydrophobicContact CB-CB 4.39Å; L429-I439 HydrophobicContact CB-CG2 4.47Å; L429-I439 HydrophobicContact CD1-CB 4.46Å; L429-I439 HydrophobicContact CD1-CG2 3.68Å; L429-I439 HydrophobicContact CG-CG2 4.33Å; L429-I439 PolarHBondContact N-O 3.18Å; L429-A441 HydrophobicContact CD1-CB 4.38Å; L429-A441 HydrophobicContact CD2-CB 4.2Å; L429-A441 HydrophobicContact CG-CB 4.32Å
430	E	63.8	Low	57.6	Low	110 Å²	110	60.5 Å²	60.5	51%	0.514	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-78.8	121.9	171.9	-62.4	179.8	165.1	0	0	109.8	G410 Q411	G410-E430 CarbonylContact C-O 3.55Å; G410-E430 WeakPolarHBondContact CA-O 3.5Å; Q411-E430 PolarHBondContact N-O 3.3Å; Q411-E430 PolarHBondContact O-N 3.47Å
431	Q	60.2	Low	57.3	Low	66 Å²	66	60.6 Å²	60.6	31%	0.308	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-100.2	140	172.4	-152	175.4	24.4	0	0	110.2	F408 S433	F408-Q431 PolarHBondContact O-NE2 3.16Å; F408-Q431 VanDerWaalsContact O-NE2 3.07Å; Q431-S433 VanDerWaalsContact C-N 3.29Å; Q431-S433 PolarHBondContact O-N 3.33Å
432	T	49.5	Very low	57	Low	120 Å²	120	62.4 Å²	62.4	74%	0.736	33%	0.328	S	S	*	.	S	Bend	trans	-75.6	-15.8	-177.8	40	0	0	0	0	113.8	F408	F408-T432 HydrophobicContact CE1-CG2 4.1Å
433	S	48	Very low	57	Low	62 Å²	62	56.6 Å²	56.6	43%	0.434	30%	0.301	S	S	.	.	S	Bend	trans	-89.7	123.4	171.1	49	0	0	0	0	110.5	Q431	Q431-S433 VanDerWaalsContact C-N 3.29Å; Q431-S433 PolarHBondContact O-N 3.33Å
434	Q	38.9	Very low	56.8	Low	184 Å²	184	57.8 Å²	57.8	86%	0.86	31%	0.309	S	S	*	.	S	Bend	trans	-60.8	141.3	171.4	-63.7	-171.5	-4.9	0	0	110.4
435	Q	39.4	Very low	56.6	Low	186 Å²	186	53.4 Å²	53.4	87%	0.869	29%	0.286	S	S	*	.	S	Bend	trans	71.8	98.5	-178.4	-47.5	174.6	-0.8	0	0	115.6
436	S	43.3	Very low	56.1	Low	76 Å²	76	54.4 Å²	54.4	53%	0.531	29%	0.293	S	S	.	.			trans	168.4	145	138.2	-171.9	0	0	0	0	110.3
437	A	47.9	Very low	55.6	Low	31 Å²	31	52.6 Å²	52.6	26%	0.256	29%	0.286	S	S	.	.			trans	32.2	121.7	165.9	0	0	0	0	0	119.7	I439	A437-I439 VanDerWaalsContact C-N 3.33Å; A437-I439 HydrophobicContact CB-CG1 4.28Å; A437-I439 PolarHBondContact O-N 3.08Å
438	V	49.9	Very low	54.9	Low	68 Å²	68	56.9 Å²	56.9	41%	0.412	31%	0.308	S	S	.	.			trans	-67.2	92.6	161.9	-179.4	0	0	0	0	109.4	N428 R440 T530	N428-V438 VanDerWaalsContact OD1-CG1 3.32Å; N428-V438 WeakPolarHBondContact OD1-CG1 3.41Å; V438-R440 HydrophobicContact CG1-CG 4.39Å; V438-T530 HydrophobicContact CG2-CG2 3.97Å
439	I	56.9	Low	54.2	Low	24 Å²	24	57.1 Å²	57.1	12%	0.123	31%	0.309	C	S	.	.			trans	-82.4	121.3	171.3	-57.7	176.6	0	0	0	107.9	F348 L429 A437	F348-I439 HydrophobicContact CE1-CG2 4.28Å; F348-I439 HydrophobicContact CE2-CG2 4Å; F348-I439 HydrophobicContact CZ-CD1 4.2Å; F348-I439 HydrophobicContact CZ-CG2 3.36Å; L429-I439 HydrophobicContact CB-CB 4.39Å; L429-I439 HydrophobicContact CB-CG2 4.47Å; L429-I439 HydrophobicContact CD1-CB 4.46Å; L429-I439 HydrophobicContact CD1-CG2 3.68Å; L429-I439 HydrophobicContact CG-CG2 4.33Å; L429-I439 PolarHBondContact N-O 3.18Å; A437-I439 VanDerWaalsContact C-N 3.33Å; A437-I439 HydrophobicContact CB-CG1 4.28Å; A437-I439 PolarHBondContact O-N 3.08Å
440	R	58.5	Low	53.4	Low	12 Å²	12	60.3 Å²	60.3	5%	0.045	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.7	168.8	-78.7	-176.6	160.2	-159.9	-11.9	111.4	L344 W426 Y427 N428 V438 E491 A544	L344-R440 HydrophobicContact CD1-CB 3.6Å; W426-R440 HydrophobicContact CE3-CB 4.04Å; Y427-R440 CarbonylContact O-C 3.47Å; Y427-R440 VanDerWaalsContact O-CA 3.23Å; Y427-R440 WeakPolarHBondContact O-CA 3.44Å; N428-R440 PolarHBondContact ND2-NH2 3.43Å; N428-R440 WeakPolarHBondContact OD1-CG 3.05Å; N428-R440 PolarHBondContact OD1-NE 3.23Å; V438-R440 HydrophobicContact CG1-CG 4.39Å; R440-E491 IonicContact CZ-OE1 2.78Å; R440-E491 IonicContact CZ-OE2 3.11Å; R440-E491 IonicContact NH1-OE2 2.7Å; R440-E491 IonicContact NH2-OE1 2.63Å; R440-E491 PolarHBondContact NH2-OE1 3.41Å; R440-E491 IonicContact NH2-OE2 2.66Å; R440-E491 PolarHBondContact NH2-OE2 3.18Å; R440-A544 PolarHBondContact NH1-O 3.05Å
441	A	56.3	Low	52.4	Low	5 Å²	5	58 Å²	58	4%	0.041	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.4	167.6	0	0	0	0	0	109.3	Y427 L429	Y427-A441 PolarHBondContact N-O 3.46Å; Y427-A441 PolarHBondContact O-N 3.26Å; L429-A441 HydrophobicContact CD1-CB 4.38Å; L429-A441 HydrophobicContact CD2-CB 4.2Å; L429-A441 HydrophobicContact CG-CB 4.32Å
442	F	58.1	Low	51.2	Low	47 Å²	47	61.8 Å²	61.8	21%	0.206	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.2	168.7	179	-103.4	0	0	0	109.3	V341 D424 W426	V341-F442 HydrophobicContact CB-CD1 4.1Å; V341-F442 HydrophobicContact CG2-CD1 4.16Å; V341-F442 PolarHBondContact N-O 3.22Å; V341-F442 WeakPolarHBondContact O-CB 3.39Å; D424-F442 HydrophobicContact CB-CE2 4.03Å; D424-F442 HydrophobicContact CB-CZ 3.89Å; W426-F442 AromaticContact CD1-CD2 3.98Å; W426-F442 HydrophobicContact CD2-CB 3.93Å; W426-F442 AromaticContact CD2-CD2 3.89Å; W426-F442 HydrophobicContact CD2-CD2 3.89Å; W426-F442 HydrophobicContact CD2-CG 4.4Å; W426-F442 AromaticContact CE2-CD2 3.59Å; W426-F442 HydrophobicContact CE3-CB 3.69Å; W426-F442 HydrophobicContact CG-CD2 4.15Å; W426-F442 HydrophobicContact CH2-CB 3.81Å; W426-F442 HydrophobicContact CZ2-CB 4.01Å; W426-F442 HydrophobicContact CZ2-CD2 4.02Å; W426-F442 HydrophobicContact CZ2-CG 4.27Å; W426-F442 HydrophobicContact CZ3-CB 3.64Å; W426-F442 AromaticContact NE1-CD2 3.63Å
443	M	60.1	Low	50.2	Low	2 Å²	2	60.2 Å²	60.2	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	118.1	173.7	-52.9	-156.8	90.7	0	0	109.9	I338 V384 I414 V425 Y427 I445	I338-M443 HydrophobicContact CG2-CE 3.41Å; I338-M443 VanDerWaalsContact CG2-CE 3.41Å; I338-M443 HydrophobicContact CG2-SD 4.5Å; V384-M443 HydrophobicContact CB-SD 4.25Å; V384-M443 HydrophobicContact CG1-CE 3.88Å; V384-M443 HydrophobicContact CG1-SD 3.87Å; V384-M443 HydrophobicContact CG2-CE 4.05Å; V384-M443 HydrophobicContact CG2-SD 3.71Å; I414-M443 HydrophobicContact CD1-SD 4.36Å; V425-M443 PolarHBondContact N-O 2.8Å; V425-M443 PolarHBondContact O-N 2.95Å; Y427-M443 HydrophobicContact CD2-CB 4.15Å; Y427-M443 HydrophobicContact CD2-CG 4.16Å; Y427-M443 HydrophobicContact CE2-CB 4.12Å; M443-I445 HydrophobicContact CB-CD1 4.16Å; M443-I445 HydrophobicContact CB-CG1 4.02Å
444	S	56	Low	49.4	Very low	25 Å²	25	60.9 Å²	60.9	18%	0.175	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.8	164.1	-176.7	0	0	0	0	107.8	T339 M423 D424	T339-S444 WeakPolarHBondContact CA-O 3.49Å; T339-S444 PolarHBondContact N-O 3.05Å; T339-S444 PolarHBondContact O-N 3.48Å; M423-S444 CarbonylContact O-C 3.52Å; M423-S444 WeakPolarHBondContact O-CA 3.38Å; D424-S444 WeakPolarHBondContact OD1-CA 3.43Å; D424-S444 WeakPolarHBondContact OD1-CB 3.44Å; D424-S444 PolarHBondContact OD1-OG 3.35Å
445	I	60.8	Low	49.1	Very low	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	104.2	-175.2	-56.2	177	0	0	0	108.4	I336 A337 I338 I414 L419 M423 Y427 M443 F447	I336-I445 HydrophobicContact CG2-CG2 3.85Å; A337-I445 CarbonylContact O-C 3.45Å; A337-I445 WeakPolarHBondContact O-CA 3.49Å; I338-I445 HydrophobicContact CG1-CG1 4.39Å; I338-I445 HydrophobicContact CG1-CG2 4.25Å; I338-I445 HydrophobicContact CG2-CG1 4.45Å; I414-I445 HydrophobicContact CD1-CD1 3.54Å; L419-I445 HydrophobicContact CD1-CG2 4.49Å; L419-I445 HydrophobicContact CD2-CD1 4.27Å; L419-I445 HydrophobicContact CD2-CG2 3.96Å; M423-I445 HydrophobicContact CB-CB 4.47Å; M423-I445 PolarHBondContact N-O 3.3Å; M423-I445 PolarHBondContact O-N 2.93Å; Y427-I445 HydrophobicContact CE2-CD1 4.03Å; M443-I445 HydrophobicContact CB-CD1 4.16Å; M443-I445 HydrophobicContact CB-CG1 4.02Å; I445-F447 PolarHBondContact O-N 2.87Å
446	S	56	Low	48.8	Very low	23 Å²	23	46.7 Å²	46.7	16%	0.161	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	107.5	171.4	-58.5	0	0	0	0	109.2	A337 E422	A337-S446 PolarHBondContact N-O 3.45Å; A337-S446 PolarHBondContact O-N 3.49Å; E422-S446 PolarHBondContact OE1-OG 2.93Å
447	F	59.1	Low	48.4	Very low	7 Å²	7	47.2 Å²	47.2	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.5	-177.3	172.1	-89.6	0	0	0	110.9	W332 A334 I336 V416 L419 G421 I445 I449	W332-F447 AromaticContact CH2-CE2 3.96Å; W332-F447 HydrophobicContact CH2-CE2 3.96Å; W332-F447 HydrophobicContact CH2-CZ 4.16Å; W332-F447 AromaticContact CZ2-CE2 3.67Å; W332-F447 HydrophobicContact CZ2-CE2 3.67Å; W332-F447 AromaticContact CZ2-CZ 3.43Å; W332-F447 HydrophobicContact CZ2-CZ 3.43Å; W332-F447 VanDerWaalsContact CZ2-CZ 3.43Å; A334-F447 HydrophobicContact CB-CD2 4.05Å; A334-F447 HydrophobicContact CB-CE1 4.37Å; A334-F447 HydrophobicContact CB-CE2 3.23Å; A334-F447 HydrophobicContact CB-CZ 3.41Å; A334-F447 VanDerWaalsContact CB-CZ 3.41Å; I336-F447 HydrophobicContact CD1-CD2 4.45Å; I336-F447 HydrophobicContact CG1-CD2 4Å; I336-F447 HydrophobicContact CG1-CE2 4.36Å; V416-F447 HydrophobicContact CG1-CE2 4.22Å; L419-F447 HydrophobicContact CB-CB 4.05Å; L419-F447 HydrophobicContact CB-CD1 4.1Å; L419-F447 HydrophobicContact CB-CD2 3.41Å; L419-F447 VanDerWaalsContact CB-CD2 3.41Å; L419-F447 HydrophobicContact CB-CE1 4.48Å; L419-F447 HydrophobicContact CB-CE2 3.86Å; L419-F447 HydrophobicContact CB-CG 3.58Å; L419-F447 HydrophobicContact CB-CZ 4.4Å; L419-F447 HydrophobicContact CD1-CD2 3.9Å; L419-F447 HydrophobicContact CD1-CE2 4.47Å; L419-F447 HydrophobicContact CG-CD2 4.32Å; L419-F447 WeakPolarHBondContact O-CE1 3.17Å; G421-F447 WeakPolarHBondContact CA-O 3.31Å; G421-F447 PolarHBondContact N-O 2.81Å; G421-F447 WeakPolarHBondContact O-CA 3.06Å; G421-F447 WeakPolarHBondContact O-CB 3.39Å; G421-F447 PolarHBondContact O-N 3.42Å; I445-F447 PolarHBondContact O-N 2.87Å; F447-I449 HydrophobicContact CD1-CG1 4.35Å; F447-I449 HydrophobicContact CE1-CD1 3.95Å; F447-I449 HydrophobicContact CE1-CG1 3.37Å; F447-I449 HydrophobicContact CZ-CD1 4.41Å; F447-I449 HydrophobicContact CZ-CG1 3.73Å
448	I	54.8	Low	47.9	Very low	94 Å²	94	46.9 Å²	46.9	48%	0.482	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	110.6	-174.8	-56.6	175.3	0	0	0	109.2	A334 K335 I450	A334-I448 CarbonylContact C-O 3.59Å; A334-I448 WeakPolarHBondContact CA-O 3.36Å; K335-I448 PolarHBondContact N-O 3.07Å; K335-I448 PolarHBondContact O-N 3.2Å; I448-I450 PolarHBondContact O-N 2.94Å
449	I	53.9	Low	47.2	Very low	39 Å²	39	44 Å²	44	20%	0.2	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.8	173.1	-53.5	178.9	0	0	0	108.4	S333 F447 A451 K452 V455	S333-I449 CarbonylContact O-C 3.49Å; S333-I449 WeakPolarHBondContact O-CA 3.13Å; S333-I449 WeakPolarHBondContact O-CG2 3.13Å; F447-I449 HydrophobicContact CD1-CG1 4.35Å; F447-I449 HydrophobicContact CE1-CD1 3.95Å; F447-I449 HydrophobicContact CE1-CG1 3.37Å; F447-I449 HydrophobicContact CZ-CD1 4.41Å; F447-I449 HydrophobicContact CZ-CG1 3.73Å; I449-A451 PolarHBondContact O-N 3.42Å; I449-K452 PolarHBondContact O-N 3.16Å; I449-V455 HydrophobicContact CD1-CG2 3.85Å
450	I	50.7	Low	46.1	Very low	85 Å²	85	44 Å²	44	44%	0.436	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-2.5	-174.8	-66	166.7	0	0	0	111.9	S333 K335 E374 I448	S333-I450 PolarHBondContact O-N 2.99Å; K335-I450 HydrophobicContact CB-CD1 4.2Å; K335-I450 HydrophobicContact CB-CG1 4.28Å; E374-I450 HydrophobicContact CG-CD1 4.15Å; I448-I450 PolarHBondContact O-N 2.94Å
451	A	42.6	Very low	44.9	Very low	61 Å²	61	47.8 Å²	47.8	50%	0.504	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	16.8	-179	0	0	0	0	0	115.8	I449	I449-A451 PolarHBondContact O-N 3.42Å
452	K	34.4	Very low	43.5	Very low	145 Å²	145	53.3 Å²	53.3	63%	0.63	28%	0.28	S	S	*	.	S	Bend	trans	178.8	128	159.7	-104.8	148.7	-171.5	172.4	0	112.5	D115 I449	D115-K452 WeakPolarHBondContact OD1-CE 3.49Å; D115-K452 IonicContact OD1-NZ 2.65Å; I449-K452 PolarHBondContact O-N 3.16Å
453	K	28.7	Very low	42.1	Very low	88 Å²	88	58 Å²	58	38%	0.383	31%	0.305	S	S	.	.			trans	-70.4	159.6	-170.9	-84.7	-169.6	-169.2	145.9	0	116.2	D117	D117-K453 HydrophobicContact CB-CD 3.94Å; D117-K453 VanDerWaalsContact CG-CE 3.44Å; D117-K453 PolarHBondContact O-NZ 3.09Å; D117-K453 WeakPolarHBondContact OD1-CB 3.46Å; D117-K453 WeakPolarHBondContact OD1-CD 3.36Å; D117-K453 WeakPolarHBondContact OD1-CG 3.41Å; D117-K453 IonicContact OD1-NZ 2.61Å; D117-K453 WeakPolarHBondContact OD2-CE 3.39Å; D117-K453 IonicContact OD2-NZ 2.64Å; D117-K453 PolarHBondContact OD2-NZ 3.47Å
454	T	30.6	Very low	40.5	Very low	75 Å²	75	61.7 Å²	61.7	46%	0.46	33%	0.33	S	S	.	.			trans	45.9	115.9	167	40.4	0	0	0	0	117.1	T119 R192	T119-T454 HydrophobicContact CG2-CG2 4.15Å; R192-T454 PolarHBondContact NH1-O 2.83Å; R192-T454 PolarHBondContact NH2-O 3.07Å
455	V	32.4	Very low	39.2	Very low	27 Å²	27	69.5 Å²	69.5	16%	0.164	36%	0.361	C	S	.	.			trans	-125.3	155.8	175.2	-161.9	0	0	0	0	110	S420 G421 I449	S420-V455 CarbonylContact C-O 3.6Å; G421-V455 VanDerWaalsContact CA-O 3.3Å; G421-V455 WeakPolarHBondContact CA-O 3.49Å; G421-V455 PolarHBondContact N-O 3.31Å; I449-V455 HydrophobicContact CD1-CG2 3.85Å
456	A	34.7	Very low	38.2	Very low	45 Å²	45	74.9 Å²	74.9	37%	0.372	39%	0.39	S	S	.	.			trans	-97.3	143	-180	0	0	0	0	0	112	S420 F458	S420-A456 WeakPolarHBondContact CB-O 3.39Å; S420-A456 PolarHBondContact OG-O 2.99Å; A456-F458 VanDerWaalsContact O-CD2 3.3Å; A456-F458 WeakPolarHBondContact O-CD2 3.37Å; A456-F458 WeakPolarHBondContact O-CE2 3.17Å
457	I	33.5	Very low	38.2	Very low	88 Å²	88	79.4 Å²	79.4	45%	0.451	41%	0.409	S	S	.	.			trans	-63.4	144.5	-167.7	-51.5	171	0	0	0	114.6	S420 E422 M423 V425	S420-I457 WeakPolarHBondContact OG-CA 3.3Å; E422-I457 WeakPolarHBondContact O-CD1 3.38Å; E422-I457 WeakPolarHBondContact O-CG1 3.31Å; M423-I457 HydrophobicContact CB-CG2 4.12Å; M423-I457 HydrophobicContact CE-CG2 4.15Å; M423-I457 HydrophobicContact CG-CB 4.28Å; M423-I457 HydrophobicContact CG-CG1 4.04Å; M423-I457 HydrophobicContact CG-CG2 3.93Å; V425-I457 HydrophobicContact CG2-CG2 4.26Å
458	F	37.9	Very low	38.3	Very low	24 Å²	24	83.2 Å²	83.2	11%	0.105	44%	0.436	C	S	.	.			trans	-144	139	168.3	-48.9	-76.8	0	0	0	111.4	M423 A456 F484 Y488 G489 I490	M423-F458 WeakPolarHBondContact CE-O 3.3Å; A456-F458 VanDerWaalsContact O-CD2 3.3Å; A456-F458 WeakPolarHBondContact O-CD2 3.37Å; A456-F458 WeakPolarHBondContact O-CE2 3.17Å; F458-F484 AromaticContact CD1-CE1 3.95Å; F458-F484 HydrophobicContact CD1-CE1 3.95Å; F458-F484 HydrophobicContact CD1-CZ 4.39Å; F458-F484 AromaticContact CE1-CE1 3.51Å; F458-F484 HydrophobicContact CE1-CE1 3.51Å; F458-F484 AromaticContact CE1-CZ 3.53Å; F458-F484 HydrophobicContact CE1-CZ 3.53Å; F458-F484 HydrophobicContact CZ-CE1 4.38Å; F458-F484 HydrophobicContact CZ-CZ 4Å; F458-Y488 WeakPolarHBondContact CB-O 3.31Å; F458-Y488 HydrophobicContact CD1-CG 4.35Å; F458-Y488 HydrophobicContact CD2-CD1 4.12Å; F458-Y488 AromaticContact CD2-CG 3.97Å; F458-Y488 HydrophobicContact CD2-CG 3.97Å; F458-Y488 HydrophobicContact CE1-CG 4.49Å; F458-Y488 HydrophobicContact CE2-CD1 4.13Å; F458-Y488 HydrophobicContact CE2-CG 4.08Å; F458-Y488 HydrophobicContact CG-CG 4.1Å; F458-Y488 HydrophobicContact CZ-CG 4.35Å; F458-G489 CarbonylContact C-O 3.54Å; F458-G489 VanDerWaalsContact C-O 3.32Å; F458-I490 HydrophobicContact CB-CG1 4.37Å; F458-I490 HydrophobicContact CD1-CD1 4.1Å
459	S	36.2	Very low	39	Very low	7 Å²	7	80.1 Å²	80.1	5%	0.049	42%	0.418	C	S	.	.			trans	-132.8	114.5	-170	45.7	0	0	0	0	118.5	G489 I490 E491	S459-G489 VanDerWaalsContact C-C 3.45Å; S459-G489 CarbonylContact C-O 3.46Å; S459-G489 WeakPolarHBondContact CA-O 3.13Å; S459-G489 PolarHBondContact N-O 3.05Å; S459-G489 CarbonylContact O-C 3.53Å; S459-G489 VanDerWaalsContact O-O 3.13Å; S459-I490 CarbonylContact O-C 3.57Å; S459-I490 WeakPolarHBondContact O-CA 3.24Å; S459-E491 WeakPolarHBondContact O-CG 3.16Å; S459-E491 PolarHBondContact O-N 3.29Å
460	V	33.3	Very low	40	Very low	23 Å²	23	79.6 Å²	79.6	14%	0.139	42%	0.415	C	S	.	.			trans	-72.4	163.2	176.6	-120.2	0	0	0	0	113.4	T418 Y427 G489 E491	T418-V460 HydrophobicContact CG2-CG2 4.35Å; Y427-V460 HydrophobicContact CE1-CG2 4.37Å; V460-G489 PolarHBondContact N-O 3.12Å; V460-E491 VanDerWaalsContact C-CG 3.46Å; V460-E491 WeakPolarHBondContact O-CG 3.38Å
461	Q	33.6	Very low	41.2	Very low	93 Å²	93	80.1 Å²	80.1	44%	0.435	42%	0.422	S	S	.	.			cis	-145.1	-133.8	11.9	-155.8	143.9	-23.8	0	0	115.6
462	Y	27.1	Very low	42.7	Very low	121 Å²	121	78.4 Å²	78.4	48%	0.475	40%	0.402	S	S	.	.			trans	-136	138.4	-165.7	-96.8	-101.7	0	0	0	115
463	I	27.8	Very low	44.6	Very low	146 Å²	146	72.7 Å²	72.7	75%	0.749	38%	0.378	S	S	*	.			trans	-141.8	141.3	146.5	-59.9	-175.3	0	0	0	108.1
464	C	25.6	Very low	46.6	Very low	78 Å²	78	74.7 Å²	74.7	53%	0.527	39%	0.388	S	S	.	.			trans	-91.2	137.1	-170.9	177.7	0	0	0	0	114
465	F	30.5	Very low	48.8	Very low	190 Å²	190	78.9 Å²	78.9	83%	0.833	40%	0.403	S	S	*	.			trans	-160.5	135.4	136.8	-90	-68.7	0	0	0	109.8
466	D	39.6	Very low	51.1	Low	114 Å²	114	80.5 Å²	80.5	61%	0.61	41%	0.41	S	S	*	.			trans	54.2	138.9	-179.5	-141.7	-29.3	0	0	0	117.5	W469 K470	D466-W469 PolarHBondContact O-NE1 3.34Å; D466-W469 VanDerWaalsContact O-NE1 3.16Å; D466-K470 WeakPolarHBondContact O-CE 3.26Å; D466-K470 PolarHBondContact O-NZ 2.95Å
467	E	56.2	Low	52.9	Low	118 Å²	118	78.6 Å²	78.6	55%	0.551	40%	0.396	S	S	*	.	S	Bend	trans	-106.6	-27.4	-159.3	-70.2	-77.1	100	0	0	114.7	W469 K470	E467-W469 VanDerWaalsContact C-N 3.3Å; E467-W469 PolarHBondContact O-N 2.88Å; E467-W469 VanDerWaalsContact O-N 3.13Å; E467-K470 WeakPolarHBondContact O-CB 3.43Å; E467-K470 PolarHBondContact O-N 3.49Å; E467-K470 IonicContact OE1-NZ 3.03Å; E467-K470 PolarHBondContact OE1-NZ 2.92Å
468	S	60.7	Low	55.2	Low	87 Å²	87	75.5 Å²	75.5	61%	0.608	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-61	-30.5	-164.6	58.9	0	0	0	0	115.6	K470	S468-K470 VanDerWaalsContact C-N 3.34Å
469	W	69.6	Low	57.3	Low	28 Å²	28	75.8 Å²	75.8	11%	0.106	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-85.7	-2.3	-178.6	63.6	-83	0	0	0	114.2	D466 E467 Y472 I493 A496 L519 N522	D466-W469 PolarHBondContact O-NE1 3.34Å; D466-W469 VanDerWaalsContact O-NE1 3.16Å; E467-W469 VanDerWaalsContact C-N 3.3Å; E467-W469 PolarHBondContact O-N 2.88Å; E467-W469 VanDerWaalsContact O-N 3.13Å; W469-Y472 WeakPolarHBondContact O-CE1 3.29Å; W469-I493 HydrophobicContact CH2-CD1 4.48Å; W469-I493 HydrophobicContact CZ3-CD1 4.39Å; W469-A496 HydrophobicContact CE3-CB 3.76Å; W469-A496 HydrophobicContact CZ3-CB 3.53Å; W469-L519 HydrophobicContact CB-CD1 4.32Å; W469-L519 HydrophobicContact CE3-CD1 4.37Å; W469-N522 HydrophobicContact CB-CB 3.84Å; W469-N522 HydrophobicContact CD2-CB 3.77Å; W469-N522 HydrophobicContact CE3-CB 4.32Å; W469-N522 HydrophobicContact CG-CB 3.53Å
470	K	73.7	Confident	59.4	Low	29 Å²	29	76.3 Å²	76.3	13%	0.126	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-91.9	-10.9	178.2	-56.1	176.7	-167.7	162.1	0	113.1	D466 E467 S468 Y472 Q478	D466-K470 WeakPolarHBondContact O-CE 3.26Å; D466-K470 PolarHBondContact O-NZ 2.95Å; E467-K470 WeakPolarHBondContact O-CB 3.43Å; E467-K470 PolarHBondContact O-N 3.49Å; E467-K470 IonicContact OE1-NZ 3.03Å; E467-K470 PolarHBondContact OE1-NZ 2.92Å; S468-K470 VanDerWaalsContact C-N 3.34Å; K470-Y472 WeakPolarHBondContact O-CD2 3.3Å; K470-Y472 WeakPolarHBondContact O-CE2 3.48Å; K470-Q478 PolarHBondContact O-NE2 2.97Å
471	V	77.1	Confident	61.5	Low	96 Å²	96	76 Å²	76	58%	0.582	38%	0.382	S	S	*	.			trans	-94.4	118.5	179	-174.7	0	0	0	0	109.3
472	Y	73.8	Confident	63.6	Low	24 Å²	24	73.6 Å²	73.6	9%	0.094	37%	0.372	C	S	.	.			trans	-113.9	-23.5	-173.2	-53.5	-56.3	0	0	0	113.2	W469 K470 V481 Q495 A496 H499	W469-Y472 WeakPolarHBondContact O-CE1 3.29Å; K470-Y472 WeakPolarHBondContact O-CD2 3.3Å; K470-Y472 WeakPolarHBondContact O-CE2 3.48Å; Y472-V481 HydrophobicContact CD2-CG2 4.39Å; Y472-Q495 HydrophobicContact CE2-CB 3.92Å; Y472-A496 WeakPolarHBondContact OH-CA 3.46Å; Y472-A496 PolarHBondContact OH-N 3.34Å; Y472-H499 HydrophobicContact CD1-CB 3.78Å; Y472-H499 AromaticContact CD1-CD2 3.72Å; Y472-H499 AromaticContact CD1-CG 3.44Å; Y472-H499 VanDerWaalsContact CD1-CG 3.44Å; Y472-H499 AromaticContact CD1-ND1 3.68Å; Y472-H499 HydrophobicContact CE1-CB 3.93Å; Y472-H499 HydrophobicContact CG-CB 4.39Å; Y472-H499 AromaticContact CG-ND1 3.78Å
473	F	73.4	Confident	66.2	Low	26 Å²	26	68 Å²	68	11%	0.114	35%	0.35	C	S	.	.	S	Bend	trans	-142.6	168.7	-171.9	-57.8	-74.6	0	0	0	110.5	R165 L166 V169 V481	R165-F473 HydrophobicContact CB-CE1 3.85Å; L166-F473 HydrophobicContact CD1-CD1 3.52Å; L166-F473 HydrophobicContact CD1-CE1 3.56Å; L166-F473 HydrophobicContact CD1-CG 4.16Å; L166-F473 HydrophobicContact CD1-CZ 4.25Å; L166-F473 HydrophobicContact CG-CD1 4.31Å; L166-F473 HydrophobicContact CG-CE1 3.97Å; L166-F473 HydrophobicContact CG-CZ 4.18Å; V169-F473 HydrophobicContact CG2-CE2 4.21Å; V169-F473 HydrophobicContact CG2-CZ 3.78Å; F473-V481 HydrophobicContact CD2-CG1 4.33Å; F473-V481 HydrophobicContact CD2-CG2 4.25Å; F473-V481 HydrophobicContact CE2-CG1 3.95Å; F473-V481 HydrophobicContact CE2-CG2 4.48Å
474	E	72.2	Confident	68.6	Low	130 Å²	130	62.5 Å²	62.5	61%	0.607	32%	0.321	S	S	*	.			trans	-64.7	161.3	163.7	-70.5	165.4	-137.4	0	0	111	Q162 N476 G477 Q478	Q162-E474 PolarHBondContact NE2-OE1 2.96Å; Q162-E474 PolarHBondContact NE2-OE2 3.12Å; E474-N476 PolarHBondContact O-N 3.34Å; E474-N476 VanDerWaalsContact O-N 3.09Å; E474-G477 WeakPolarHBondContact O-CA 3.32Å; E474-G477 PolarHBondContact O-N 3.32Å; E474-Q478 PolarHBondContact O-N 3.09Å
475	E	75.1	Confident	70.8	Confident	162 Å²	162	59 Å²	59	76%	0.757	30%	0.298	S	S	*	.	H	α-helix	trans	-38.1	-55	-169	-170.3	173.9	-174.8	0	0	114.7	G477 Q478 E479	E475-G477 PolarHBondContact O-N 2.99Å; E475-Q478 PolarHBondContact O-N 3.08Å; E475-E479 PolarHBondContact O-N 2.59Å
476	N	81.2	Confident	72.8	Confident	61 Å²	61	53.5 Å²	53.5	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-62.7	-38.2	179.9	-70.2	-23.3	0	0	0	113.9	E298 I299 L302 E474 V480	E298-N476 WeakPolarHBondContact CG-ND2 3.45Å; I299-N476 HydrophobicContact CG1-CB 4.19Å; L302-N476 HydrophobicContact CD2-CB 4.15Å; E474-N476 PolarHBondContact O-N 3.34Å; E474-N476 VanDerWaalsContact O-N 3.09Å; N476-V480 VanDerWaalsContact O-CG2 3.25Å; N476-V480 WeakPolarHBondContact O-CG2 3.43Å; N476-V480 PolarHBondContact O-N 2.87Å
477	G	73.4	Confident	74.5	Confident	6 Å²	6	49.5 Å²	49.5	6%	0.062	25%	0.252	C	S	.	.	H	α-helix	trans	-75.7	-31.8	177.7	0	0	0	0	0	112.2	E474 E475 V481	E474-G477 WeakPolarHBondContact O-CA 3.32Å; E474-G477 PolarHBondContact O-N 3.32Å; E475-G477 PolarHBondContact O-N 2.99Å; G477-V481 PolarHBondContact O-N 2.99Å
478	Q	81.7	Confident	75.1	Confident	22 Å²	22	44.1 Å²	44.1	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-46.1	176.3	-171.3	63.2	37.3	0	0	110.7	K470 E474 E475 V480 V481 D482	K470-Q478 PolarHBondContact O-NE2 2.97Å; E474-Q478 PolarHBondContact O-N 3.09Å; E475-Q478 PolarHBondContact O-N 3.08Å; Q478-V480 VanDerWaalsContact C-N 3.27Å; Q478-V480 PolarHBondContact O-N 3.26Å; Q478-V481 WeakPolarHBondContact O-CG2 3.4Å; Q478-V481 PolarHBondContact O-N 3.47Å; Q478-V481 VanDerWaalsContact O-N 3.14Å; Q478-D482 WeakPolarHBondContact CG-OD2 3.23Å; Q478-D482 PolarHBondContact NE2-OD1 3.05Å; Q478-D482 PolarHBondContact NE2-OD2 2.99Å; Q478-D482 WeakPolarHBondContact O-CB 3.38Å; Q478-D482 PolarHBondContact O-N 3.34Å
479	E	82.1	Confident	75.3	Confident	31 Å²	31	40 Å²	40	15%	0.145	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-38	175.3	-177	175.1	167.8	0	0	112.3	L201 K296 I299 E475 V481 D482 E483	L201-E479 HydrophobicContact CD2-CG 4.11Å; K296-E479 WeakPolarHBondContact CD-OE1 3.13Å; K296-E479 IonicContact NZ-OE1 2.73Å; K296-E479 PolarHBondContact NZ-OE1 2.99Å; K296-E479 IonicContact NZ-OE2 2.71Å; K296-E479 PolarHBondContact NZ-OE2 3.23Å; I299-E479 HydrophobicContact CD1-CB 4.21Å; I299-E479 VanDerWaalsContact CD1-CD 3.47Å; I299-E479 HydrophobicContact CD1-CG 4.09Å; I299-E479 WeakPolarHBondContact CD1-OE2 3.21Å; E475-E479 PolarHBondContact O-N 2.59Å; E479-V481 PolarHBondContact O-N 3.49Å; E479-D482 PolarHBondContact O-N 3.05Å; E479-E483 HydrophobicContact CG-CG 4.22Å; E479-E483 WeakPolarHBondContact O-CB 3.17Å; E479-E483 PolarHBondContact O-N 3.28Å
480	V	79	Confident	75.2	Confident	17 Å²	17	40 Å²	40	10%	0.103	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-45.3	176.3	169.5	0	0	0	0	111.9	L201 I299 L302 I303 N476 Q478 F484	L201-V480 HydrophobicContact CD1-CB 4.17Å; L201-V480 HydrophobicContact CD1-CG1 4.16Å; L201-V480 HydrophobicContact CD1-CG2 3.78Å; I299-V480 HydrophobicContact CG2-CG2 3.66Å; L302-V480 HydrophobicContact CD2-CG2 4.41Å; I303-V480 HydrophobicContact CG1-CG1 4.47Å; I303-V480 HydrophobicContact CG1-CG2 4.2Å; N476-V480 VanDerWaalsContact O-CG2 3.25Å; N476-V480 WeakPolarHBondContact O-CG2 3.43Å; N476-V480 PolarHBondContact O-N 2.87Å; Q478-V480 VanDerWaalsContact C-N 3.27Å; Q478-V480 PolarHBondContact O-N 3.26Å; V480-F484 WeakPolarHBondContact O-CB 3.38Å; V480-F484 PolarHBondContact O-N 2.83Å
481	V	77.5	Confident	74.9	Confident	17 Å²	17	38.7 Å²	38.7	10%	0.103	19%	0.194	C	C	.	.	H	α-helix	trans	-76.1	-37.8	-179.8	-64.2	0	0	0	0	111.8	V169 Y472 F473 G477 Q478 E479 F484 A485	V169-V481 HydrophobicContact CG1-CG1 4.5Å; Y472-V481 HydrophobicContact CD2-CG2 4.39Å; F473-V481 HydrophobicContact CD2-CG1 4.33Å; F473-V481 HydrophobicContact CD2-CG2 4.25Å; F473-V481 HydrophobicContact CE2-CG1 3.95Å; F473-V481 HydrophobicContact CE2-CG2 4.48Å; G477-V481 PolarHBondContact O-N 2.99Å; Q478-V481 WeakPolarHBondContact O-CG2 3.4Å; Q478-V481 PolarHBondContact O-N 3.47Å; Q478-V481 VanDerWaalsContact O-N 3.14Å; E479-V481 PolarHBondContact O-N 3.49Å; V481-F484 PolarHBondContact O-N 3.08Å; V481-A485 WeakPolarHBondContact O-CB 3.42Å; V481-A485 PolarHBondContact O-N 3.27Å
482	D	78.8	Confident	74.8	Confident	43 Å²	43	34.8 Å²	34.8	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-72.1	-42.6	-177.8	-74.1	-30.2	0	0	0	112.9	Q478 E479 F484 A485 M486	Q478-D482 WeakPolarHBondContact CG-OD2 3.23Å; Q478-D482 PolarHBondContact NE2-OD1 3.05Å; Q478-D482 PolarHBondContact NE2-OD2 2.99Å; Q478-D482 WeakPolarHBondContact O-CB 3.38Å; Q478-D482 PolarHBondContact O-N 3.34Å; E479-D482 PolarHBondContact O-N 3.05Å; D482-F484 VanDerWaalsContact C-N 3.35Å; D482-F484 PolarHBondContact O-N 3.47Å; D482-A485 PolarHBondContact O-N 3.42Å; D482-M486 HydrophobicContact CB-CE 4.46Å; D482-M486 WeakPolarHBondContact O-CB 3.35Å; D482-M486 WeakPolarHBondContact O-CE 3.49Å; D482-M486 VanDerWaalsContact O-CG 3.31Å; D482-M486 WeakPolarHBondContact O-CG 3.42Å; D482-M486 PolarHBondContact O-N 3.16Å
483	E	80.6	Confident	75.1	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.019	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-37.2	173.2	-81	-62.6	146.7	0	0	112.2	L201 P204 I205 S206 E479 M486 R487	L201-E483 HydrophobicContact CD2-CB 3.71Å; L201-E483 HydrophobicContact CD2-CG 3.92Å; L201-E483 HydrophobicContact CG-CB 4.29Å; P204-E483 VanDerWaalsContact CA-OE2 3.29Å; P204-E483 WeakPolarHBondContact CA-OE2 3.25Å; P204-E483 VanDerWaalsContact CB-CD 3.4Å; P204-E483 HydrophobicContact CB-CG 4.04Å; P204-E483 WeakPolarHBondContact CB-OE2 3.32Å; I205-E483 PolarHBondContact N-OE2 3.03Å; S206-E483 WeakPolarHBondContact CB-OE1 3.32Å; S206-E483 PolarHBondContact N-OE1 2.87Å; S206-E483 PolarHBondContact OG-OE1 2.99Å; E479-E483 HydrophobicContact CG-CG 4.22Å; E479-E483 WeakPolarHBondContact O-CB 3.17Å; E479-E483 PolarHBondContact O-N 3.28Å; E483-M486 HydrophobicContact CG-CE 4.29Å; E483-M486 WeakPolarHBondContact OE1-CE 3.47Å; E483-R487 WeakPolarHBondContact O-CB 3.48Å; E483-R487 PolarHBondContact O-N 3.23Å
484	F	78.4	Confident	75.3	Confident	30 Å²	30	35.5 Å²	35.5	13%	0.132	17%	0.174	C	C	.	.	H	α-helix	trans	-63.9	-45.3	174.5	-168	-84.4	0	0	0	111	V193 K196 A197 F458 V480 V481 D482 R487 Y488 I490	V193-F484 HydrophobicContact CG1-CE2 4.17Å; V193-F484 HydrophobicContact CG1-CZ 4.02Å; K196-F484 HydrophobicContact CB-CE2 4.01Å; A197-F484 HydrophobicContact CB-CD2 4.09Å; A197-F484 HydrophobicContact CB-CE2 4.28Å; F458-F484 AromaticContact CD1-CE1 3.95Å; F458-F484 HydrophobicContact CD1-CE1 3.95Å; F458-F484 HydrophobicContact CD1-CZ 4.39Å; F458-F484 AromaticContact CE1-CE1 3.51Å; F458-F484 HydrophobicContact CE1-CE1 3.51Å; F458-F484 AromaticContact CE1-CZ 3.53Å; F458-F484 HydrophobicContact CE1-CZ 3.53Å; F458-F484 HydrophobicContact CZ-CE1 4.38Å; F458-F484 HydrophobicContact CZ-CZ 4Å; V480-F484 WeakPolarHBondContact O-CB 3.38Å; V480-F484 PolarHBondContact O-N 2.83Å; V481-F484 PolarHBondContact O-N 3.08Å; D482-F484 VanDerWaalsContact C-N 3.35Å; D482-F484 PolarHBondContact O-N 3.47Å; F484-R487 PolarHBondContact O-N 2.88Å; F484-Y488 AromaticContact CD1-CD2 3.94Å; F484-Y488 HydrophobicContact CD1-CD2 3.94Å; F484-Y488 AromaticContact CD2-CD2 3.89Å; F484-Y488 HydrophobicContact CD2-CD2 3.89Å; F484-Y488 AromaticContact CD2-CE2 3.73Å; F484-Y488 HydrophobicContact CD2-CE2 3.73Å; F484-Y488 AromaticContact CE1-CD2 3.85Å; F484-Y488 HydrophobicContact CE1-CD2 3.85Å; F484-Y488 AromaticContact CE2-CD2 3.81Å; F484-Y488 HydrophobicContact CE2-CD2 3.81Å; F484-Y488 AromaticContact CE2-CE2 3.63Å; F484-Y488 HydrophobicContact CE2-CE2 3.63Å; F484-Y488 AromaticContact CG-CD2 3.96Å; F484-Y488 HydrophobicContact CG-CD2 3.96Å; F484-Y488 HydrophobicContact CG-CE2 4.24Å; F484-Y488 AromaticContact CZ-CD2 3.79Å; F484-Y488 HydrophobicContact CZ-CD2 3.79Å; F484-Y488 HydrophobicContact CZ-CE2 4.03Å; F484-Y488 WeakPolarHBondContact O-CD2 3.41Å; F484-Y488 PolarHBondContact O-N 2.89Å; F484-I490 HydrophobicContact CD1-CD1 3.78Å; F484-I490 HydrophobicContact CE1-CD1 3.89Å
485	A	71.8	Confident	75.6	Confident	5 Å²	5	30.2 Å²	30.2	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-40.6	177.4	0	0	0	0	0	112.6	V481 D482 G489 I490 Q495	V481-A485 WeakPolarHBondContact O-CB 3.42Å; V481-A485 PolarHBondContact O-N 3.27Å; D482-A485 PolarHBondContact O-N 3.42Å; A485-G489 CarbonylContact O-C 3.57Å; A485-G489 WeakPolarHBondContact O-CA 3.24Å; A485-G489 PolarHBondContact O-N 2.69Å; A485-I490 HydrophobicContact CB-CB 3.84Å; A485-I490 HydrophobicContact CB-CG1 4.47Å; A485-I490 PolarHBondContact O-N 3.05Å; A485-Q495 VanDerWaalsContact CB-NE2 3.26Å
486	M	73.6	Confident	75.9	Confident	74 Å²	74	22.5 Å²	22.5	37%	0.365	11%	0.114	S	C	.	.	H	α-helix	trans	-66.4	-42.3	175	-75.2	-173.6	-72.4	0	0	111.6	D482 E483	D482-M486 HydrophobicContact CB-CE 4.46Å; D482-M486 WeakPolarHBondContact O-CB 3.35Å; D482-M486 WeakPolarHBondContact O-CE 3.49Å; D482-M486 VanDerWaalsContact O-CG 3.31Å; D482-M486 WeakPolarHBondContact O-CG 3.42Å; D482-M486 PolarHBondContact O-N 3.16Å; E483-M486 HydrophobicContact CG-CE 4.29Å; E483-M486 WeakPolarHBondContact OE1-CE 3.47Å
487	R	73.8	Confident	75.9	Confident	30 Å²	30	19.6 Å²	19.6	11%	0.113	10%	0.098	C	C	.	.	H	α-helix	trans	-76.8	-35.5	-171.8	-171.1	170.2	-165.5	-85.8	-1.9	115.3	Q199 A200 I205 E483 F484	Q199-R487 VanDerWaalsContact O-CZ 3.28Å; Q199-R487 PolarHBondContact O-NE 3.37Å; A200-R487 HydrophobicContact CB-CB 4.26Å; I205-R487 HydrophobicContact CD1-CB 3.95Å; I205-R487 HydrophobicContact CD1-CG 3.91Å; I205-R487 HydrophobicContact CG1-CB 4.19Å; I205-R487 HydrophobicContact CG1-CG 4.14Å; E483-R487 WeakPolarHBondContact O-CB 3.48Å; E483-R487 PolarHBondContact O-N 3.23Å; F484-R487 PolarHBondContact O-N 2.88Å
488	Y	69.5	Low	76.2	Confident	4 Å²	4	20.3 Å²	20.3	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-98.8	-4.4	174.3	-56.4	-61.6	0	0	0	112.5	K196 Q199 A200 T418 F458 F484	K196-Y488 HydrophobicContact CB-CE2 4.01Å; K196-Y488 HydrophobicContact CD-CE1 3.71Å; K196-Y488 HydrophobicContact CD-CE2 4.38Å; K196-Y488 WeakPolarHBondContact CD-OH 3.38Å; K196-Y488 PolarHBondContact O-OH 3.27Å; Q199-Y488 PolarHBondContact OE1-OH 3.47Å; A200-Y488 HydrophobicContact CB-CE2 4.27Å; T418-Y488 WeakPolarHBondContact CB-O 3.49Å; T418-Y488 WeakPolarHBondContact CG2-O 3.45Å; F458-Y488 WeakPolarHBondContact CB-O 3.31Å; F458-Y488 HydrophobicContact CD1-CG 4.35Å; F458-Y488 HydrophobicContact CD2-CD1 4.12Å; F458-Y488 AromaticContact CD2-CG 3.97Å; F458-Y488 HydrophobicContact CD2-CG 3.97Å; F458-Y488 HydrophobicContact CE1-CG 4.49Å; F458-Y488 HydrophobicContact CE2-CD1 4.13Å; F458-Y488 HydrophobicContact CE2-CG 4.08Å; F458-Y488 HydrophobicContact CG-CG 4.1Å; F458-Y488 HydrophobicContact CZ-CG 4.35Å; F484-Y488 AromaticContact CD1-CD2 3.94Å; F484-Y488 HydrophobicContact CD1-CD2 3.94Å; F484-Y488 AromaticContact CD2-CD2 3.89Å; F484-Y488 HydrophobicContact CD2-CD2 3.89Å; F484-Y488 AromaticContact CD2-CE2 3.73Å; F484-Y488 HydrophobicContact CD2-CE2 3.73Å; F484-Y488 AromaticContact CE1-CD2 3.85Å; F484-Y488 HydrophobicContact CE1-CD2 3.85Å; F484-Y488 AromaticContact CE2-CD2 3.81Å; F484-Y488 HydrophobicContact CE2-CD2 3.81Å; F484-Y488 AromaticContact CE2-CE2 3.63Å; F484-Y488 HydrophobicContact CE2-CE2 3.63Å; F484-Y488 AromaticContact CG-CD2 3.96Å; F484-Y488 HydrophobicContact CG-CD2 3.96Å; F484-Y488 HydrophobicContact CG-CE2 4.24Å; F484-Y488 AromaticContact CZ-CD2 3.79Å; F484-Y488 HydrophobicContact CZ-CD2 3.79Å; F484-Y488 HydrophobicContact CZ-CE2 4.03Å; F484-Y488 WeakPolarHBondContact O-CD2 3.41Å; F484-Y488 PolarHBondContact O-N 2.89Å
489	G	65.4	Low	76.1	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.01	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	100.9	-174.5	0	0	0	0	0	110.5	F458 S459 V460 A485	F458-G489 CarbonylContact C-O 3.54Å; F458-G489 VanDerWaalsContact C-O 3.32Å; S459-G489 VanDerWaalsContact C-C 3.45Å; S459-G489 CarbonylContact C-O 3.46Å; S459-G489 WeakPolarHBondContact CA-O 3.13Å; S459-G489 PolarHBondContact N-O 3.05Å; S459-G489 CarbonylContact O-C 3.53Å; S459-G489 VanDerWaalsContact O-O 3.13Å; V460-G489 PolarHBondContact N-O 3.12Å; A485-G489 CarbonylContact O-C 3.57Å; A485-G489 WeakPolarHBondContact O-CA 3.24Å; A485-G489 PolarHBondContact O-N 2.69Å
490	I	66.8	Low	76.2	Confident	27 Å²	27	18.9 Å²	18.9	14%	0.138	9%	0.093	C	C	.	.			trans	-135.5	117.7	173.9	-55.2	179.5	0	0	0	107.9	F458 S459 F484 A485 A492 Y494 Q495	F458-I490 HydrophobicContact CB-CG1 4.37Å; F458-I490 HydrophobicContact CD1-CD1 4.1Å; S459-I490 CarbonylContact O-C 3.57Å; S459-I490 WeakPolarHBondContact O-CA 3.24Å; F484-I490 HydrophobicContact CD1-CD1 3.78Å; F484-I490 HydrophobicContact CE1-CD1 3.89Å; A485-I490 HydrophobicContact CB-CB 3.84Å; A485-I490 HydrophobicContact CB-CG1 4.47Å; A485-I490 PolarHBondContact O-N 3.05Å; I490-A492 PolarHBondContact O-N 2.92Å; I490-Y494 HydrophobicContact CG2-CD1 3.61Å; I490-Y494 HydrophobicContact CG2-CE1 4.4Å; I490-Y494 HydrophobicContact CG2-CG 4.3Å; I490-Q495 HydrophobicContact CG2-CG 3.92Å
491	E	68.2	Low	76.1	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.009	9%	0.093	C	C	.	.			trans	-55.8	136.7	-179.6	-58.2	-164.2	126.2	0	0	111.7	R440 S459 V460 I493 Y494 Q495 N546	R440-E491 IonicContact CZ-OE1 2.78Å; R440-E491 IonicContact CZ-OE2 3.11Å; R440-E491 IonicContact NH1-OE2 2.7Å; R440-E491 IonicContact NH2-OE1 2.63Å; R440-E491 PolarHBondContact NH2-OE1 3.41Å; R440-E491 IonicContact NH2-OE2 2.66Å; R440-E491 PolarHBondContact NH2-OE2 3.18Å; S459-E491 WeakPolarHBondContact O-CG 3.16Å; S459-E491 PolarHBondContact O-N 3.29Å; V460-E491 VanDerWaalsContact C-CG 3.46Å; V460-E491 WeakPolarHBondContact O-CG 3.38Å; E491-I493 HydrophobicContact CB-CG2 3.96Å; E491-I493 PolarHBondContact O-N 3.39Å; E491-Y494 WeakPolarHBondContact O-CA 3.2Å; E491-Y494 WeakPolarHBondContact O-CB 3.49Å; E491-Y494 PolarHBondContact O-N 3.14Å; E491-Q495 PolarHBondContact O-N 2.84Å; E491-N546 PolarHBondContact OE2-ND2 3.17Å
492	A	75.1	Confident	76	Confident	15 Å²	15	18.6 Å²	18.6	12%	0.124	9%	0.094	C	C	.	.	H	α-helix	trans	-56.7	-34.6	176.7	0	0	0	0	0	112.7	I490 Y494 Q495 A496	I490-A492 PolarHBondContact O-N 2.92Å; A492-Y494 VanDerWaalsContact C-N 3.34Å; A492-Y494 PolarHBondContact O-N 3.3Å; A492-Q495 WeakPolarHBondContact O-CB 3.36Å; A492-Q495 PolarHBondContact O-N 3.21Å; A492-A496 PolarHBondContact O-N 3.29Å
493	I	78.9	Confident	75.9	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-34.3	174.2	-170.5	62.6	0	0	0	112.3	W469 E491 A496 M497 I523 Y526 Y527	W469-I493 HydrophobicContact CH2-CD1 4.48Å; W469-I493 HydrophobicContact CZ3-CD1 4.39Å; E491-I493 HydrophobicContact CB-CG2 3.96Å; E491-I493 PolarHBondContact O-N 3.39Å; I493-A496 PolarHBondContact O-N 3.23Å; I493-M497 HydrophobicContact CG1-SD 4.23Å; I493-M497 WeakPolarHBondContact O-CB 3.47Å; I493-M497 VanDerWaalsContact O-CG 3.25Å; I493-M497 WeakPolarHBondContact O-CG 3.4Å; I493-M497 PolarHBondContact O-N 3.2Å; I493-I523 HydrophobicContact CD1-CB 4.32Å; I493-I523 HydrophobicContact CD1-CG1 4.06Å; I493-I523 HydrophobicContact CD1-CG2 4.19Å; I493-Y526 HydrophobicContact CB-CD1 4.23Å; I493-Y526 HydrophobicContact CB-CE1 3.99Å; I493-Y526 HydrophobicContact CB-CE2 4.28Å; I493-Y526 HydrophobicContact CB-CG 4.49Å; I493-Y526 HydrophobicContact CD1-CD1 3.83Å; I493-Y526 HydrophobicContact CD1-CD2 4.36Å; I493-Y526 HydrophobicContact CD1-CE1 4.45Å; I493-Y526 HydrophobicContact CD1-CG 3.78Å; I493-Y526 HydrophobicContact CG1-CD1 3.67Å; I493-Y526 HydrophobicContact CG1-CE1 3.83Å; I493-Y526 HydrophobicContact CG1-CG 4.07Å; I493-Y526 HydrophobicContact CG2-CE1 3.92Å; I493-Y527 HydrophobicContact CD1-CE2 4.02Å; I493-Y527 HydrophobicContact CG1-CE2 3.76Å
494	Y	77.4	Confident	75.8	Confident	60 Å²	60	17.9 Å²	17.9	24%	0.235	9%	0.091	C	C	.	.	H	α-helix	trans	-68.4	-42.3	174.5	-173.8	-88	0	0	0	110.9	I490 E491 A492 A496 M497 I498 N546 F547	I490-Y494 HydrophobicContact CG2-CD1 3.61Å; I490-Y494 HydrophobicContact CG2-CE1 4.4Å; I490-Y494 HydrophobicContact CG2-CG 4.3Å; E491-Y494 WeakPolarHBondContact O-CA 3.2Å; E491-Y494 WeakPolarHBondContact O-CB 3.49Å; E491-Y494 PolarHBondContact O-N 3.14Å; A492-Y494 VanDerWaalsContact C-N 3.34Å; A492-Y494 PolarHBondContact O-N 3.3Å; Y494-A496 VanDerWaalsContact C-N 3.35Å; Y494-A496 PolarHBondContact O-N 2.91Å; Y494-M497 PolarHBondContact O-N 3.28Å; Y494-I498 HydrophobicContact CD1-CG1 3.88Å; Y494-I498 HydrophobicContact CE1-CD1 4Å; Y494-I498 HydrophobicContact CE1-CG1 3.57Å; Y494-I498 WeakPolarHBondContact O-CB 3.47Å; Y494-I498 VanDerWaalsContact O-CG1 3.29Å; Y494-I498 WeakPolarHBondContact O-CG1 3.31Å; Y494-I498 PolarHBondContact O-N 3.23Å; Y494-N546 HydrophobicContact CD2-CB 4.02Å; Y494-N546 HydrophobicContact CE2-CB 4.44Å; Y494-N546 WeakPolarHBondContact CE2-O 3.37Å; Y494-F547 HydrophobicContact CD2-CB 4.26Å; Y494-F547 HydrophobicContact CE2-CB 4.34Å
495	Q	78.5	Confident	75.7	Confident	20 Å²	20	21.3 Å²	21.3	9%	0.093	11%	0.114	C	C	.	.	H	α-helix	trans	-57.5	-47.1	173.3	-60.6	-167.1	64.2	0	0	111.4	Y472 A485 I490 E491 A492 I498 H499	Y472-Q495 HydrophobicContact CE2-CB 3.92Å; A485-Q495 VanDerWaalsContact CB-NE2 3.26Å; I490-Q495 HydrophobicContact CG2-CG 3.92Å; E491-Q495 PolarHBondContact O-N 2.84Å; A492-Q495 WeakPolarHBondContact O-CB 3.36Å; A492-Q495 PolarHBondContact O-N 3.21Å; Q495-I498 PolarHBondContact O-N 3.24Å; Q495-H499 WeakPolarHBondContact O-CB 3.45Å; Q495-H499 PolarHBondContact O-N 3.47Å
496	A	81.5	Confident	75.8	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.7	-42.8	177.3	0	0	0	0	0	113	W469 Y472 A492 I493 Y494 I498 H499 F500 L519 I523	W469-A496 HydrophobicContact CE3-CB 3.76Å; W469-A496 HydrophobicContact CZ3-CB 3.53Å; Y472-A496 WeakPolarHBondContact OH-CA 3.46Å; Y472-A496 PolarHBondContact OH-N 3.34Å; A492-A496 PolarHBondContact O-N 3.29Å; I493-A496 PolarHBondContact O-N 3.23Å; Y494-A496 VanDerWaalsContact C-N 3.35Å; Y494-A496 PolarHBondContact O-N 2.91Å; A496-I498 VanDerWaalsContact C-N 3.34Å; A496-I498 PolarHBondContact O-N 3.45Å; A496-H499 PolarHBondContact O-N 3.19Å; A496-F500 VanDerWaalsContact O-CB 3.26Å; A496-F500 WeakPolarHBondContact O-CB 3.4Å; A496-F500 PolarHBondContact O-N 2.94Å; A496-L519 HydrophobicContact CB-CD1 3.9Å; A496-I523 HydrophobicContact CB-CD1 4.39Å; A496-I523 HydrophobicContact CB-CG1 4.25Å
497	M	82.5	Confident	75.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.9	-33.9	176.8	-68.7	175.4	81.2	0	0	112.4	I493 Y494 A501 I523 Y527 F542 S545 F547 F552	I493-M497 HydrophobicContact CG1-SD 4.23Å; I493-M497 WeakPolarHBondContact O-CB 3.47Å; I493-M497 VanDerWaalsContact O-CG 3.25Å; I493-M497 WeakPolarHBondContact O-CG 3.4Å; I493-M497 PolarHBondContact O-N 3.2Å; Y494-M497 PolarHBondContact O-N 3.28Å; M497-A501 PolarHBondContact O-N 3.42Å; M497-A501 VanDerWaalsContact O-N 3.09Å; M497-I523 HydrophobicContact CG-CD1 4.09Å; M497-I523 HydrophobicContact CG-CG1 4.43Å; M497-I523 HydrophobicContact CG-CG2 4.14Å; M497-Y527 HydrophobicContact SD-CE2 4.16Å; M497-F542 HydrophobicContact CE-CE2 3.69Å; M497-F542 HydrophobicContact CE-CZ 3.79Å; M497-S545 PolarHBondContact SD-OG 2.9Å; M497-S545 VanDerWaalsContact SD-OG 3.41Å; M497-F547 HydrophobicContact CB-CB 4.24Å; M497-F547 HydrophobicContact CB-CD2 3.56Å; M497-F547 HydrophobicContact CB-CE2 4.02Å; M497-F547 HydrophobicContact CB-CG 3.94Å; M497-F547 HydrophobicContact CE-CB 3.61Å; M497-F547 HydrophobicContact CE-CD1 3.97Å; M497-F547 HydrophobicContact CE-CG 3.86Å; M497-F547 WeakPolarHBondContact O-CE2 3.47Å; M497-F547 HydrophobicContact SD-CB 3.86Å; M497-F547 HydrophobicContact SD-CG 4.4Å; M497-F552 HydrophobicContact CB-CD2 4.33Å; M497-F552 HydrophobicContact CB-CE2 4.05Å; M497-F552 HydrophobicContact CE-CB 3.95Å; M497-F552 HydrophobicContact CE-CD1 4.25Å; M497-F552 HydrophobicContact CE-CD2 3.32Å; M497-F552 HydrophobicContact CE-CE2 3.76Å; M497-F552 HydrophobicContact CE-CG 3.59Å; M497-F552 HydrophobicContact CE-CZ 4.38Å; M497-F552 HydrophobicContact CG-CD2 4.32Å; M497-F552 HydrophobicContact CG-CE2 3.91Å
498	I	79.5	Confident	75.4	Confident	21 Å²	21	26.2 Å²	26.2	11%	0.108	13%	0.134	C	C	.	.	H	α-helix	trans	-68.8	-46	171.4	-69.6	-76.3	0	0	0	111.1	Y494 Q495 A496 F500 A501 C502 F547	Y494-I498 HydrophobicContact CD1-CG1 3.88Å; Y494-I498 HydrophobicContact CE1-CD1 4Å; Y494-I498 HydrophobicContact CE1-CG1 3.57Å; Y494-I498 WeakPolarHBondContact O-CB 3.47Å; Y494-I498 VanDerWaalsContact O-CG1 3.29Å; Y494-I498 WeakPolarHBondContact O-CG1 3.31Å; Y494-I498 PolarHBondContact O-N 3.23Å; Q495-I498 PolarHBondContact O-N 3.24Å; A496-I498 VanDerWaalsContact C-N 3.34Å; A496-I498 PolarHBondContact O-N 3.45Å; I498-F500 VanDerWaalsContact C-N 3.34Å; I498-F500 PolarHBondContact O-N 3.17Å; I498-A501 WeakPolarHBondContact O-CB 3.43Å; I498-A501 PolarHBondContact O-N 3.43Å; I498-A501 VanDerWaalsContact O-N 3.16Å; I498-C502 PolarHBondContact O-N 3.09Å; I498-C502 PolarHBondContact O-SG 3.07Å; I498-F547 HydrophobicContact CD1-CD2 4.1Å; I498-F547 HydrophobicContact CD1-CE2 3.78Å; I498-F547 HydrophobicContact CG1-CD2 4.2Å; I498-F547 HydrophobicContact CG1-CE2 4.12Å
499	H	79.5	Confident	75.4	Confident	22 Å²	22	28.6 Å²	28.6	10%	0.102	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-42.3	178.3	-169.4	86.8	0	0	0	111.1	Y472 Q495 A496 A501 C502 L503 L519	Y472-H499 HydrophobicContact CD1-CB 3.78Å; Y472-H499 AromaticContact CD1-CD2 3.72Å; Y472-H499 AromaticContact CD1-CG 3.44Å; Y472-H499 VanDerWaalsContact CD1-CG 3.44Å; Y472-H499 AromaticContact CD1-ND1 3.68Å; Y472-H499 HydrophobicContact CE1-CB 3.93Å; Y472-H499 HydrophobicContact CG-CB 4.39Å; Y472-H499 AromaticContact CG-ND1 3.78Å; Q495-H499 WeakPolarHBondContact O-CB 3.45Å; Q495-H499 PolarHBondContact O-N 3.47Å; A496-H499 PolarHBondContact O-N 3.19Å; H499-A501 VanDerWaalsContact C-N 3.35Å; H499-A501 PolarHBondContact O-N 3.44Å; H499-C502 WeakPolarHBondContact O-CA 3.42Å; H499-C502 WeakPolarHBondContact O-CB 3.41Å; H499-C502 PolarHBondContact O-N 3.47Å; H499-C502 VanDerWaalsContact O-N 3.07Å; H499-L503 WeakPolarHBondContact O-CG 3.41Å; H499-L503 PolarHBondContact O-N 2.78Å; H499-L519 HydrophobicContact CB-CD2 4.37Å
500	F	83.3	Confident	75.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-54.2	-49	170.6	177.8	-97	0	0	0	111.5	A496 I498 C502 L503 C504 I516 L519 L520 I523 F552 L555 L556 L559 F586	A496-F500 VanDerWaalsContact O-CB 3.26Å; A496-F500 WeakPolarHBondContact O-CB 3.4Å; A496-F500 PolarHBondContact O-N 2.94Å; I498-F500 VanDerWaalsContact C-N 3.34Å; I498-F500 PolarHBondContact O-N 3.17Å; F500-C502 VanDerWaalsContact C-N 3.27Å; F500-C502 PolarHBondContact O-N 3.48Å; F500-L503 PolarHBondContact O-N 2.95Å; F500-L503 VanDerWaalsContact O-N 3.16Å; F500-C504 VanDerWaalsContact CE1-SG 3.59Å; F500-C504 PolarHBondContact O-N 3.19Å; F500-C504 PolarHBondContact O-SG 2.91Å; F500-I516 HydrophobicContact CD2-CG2 4.32Å; F500-I516 HydrophobicContact CE2-CG2 3.65Å; F500-I516 HydrophobicContact CZ-CG2 4.44Å; F500-L519 HydrophobicContact CB-CD2 3.8Å; F500-L519 HydrophobicContact CB-CG 4.35Å; F500-L520 HydrophobicContact CD2-CB 4.25Å; F500-L520 HydrophobicContact CE1-CD1 4.49Å; F500-L520 HydrophobicContact CE2-CB 3.75Å; F500-L520 HydrophobicContact CE2-CD1 3.91Å; F500-L520 HydrophobicContact CE2-CD2 4.11Å; F500-L520 HydrophobicContact CE2-CG 4.12Å; F500-L520 HydrophobicContact CZ-CD1 3.9Å; F500-L520 HydrophobicContact CZ-CD2 4.15Å; F500-L520 HydrophobicContact CZ-CG 4.41Å; F500-I523 HydrophobicContact CB-CD1 4.04Å; F500-I523 HydrophobicContact CG-CD1 4.34Å; F500-F552 HydrophobicContact CD1-CD2 4.49Å; F500-F552 AromaticContact CD1-CE2 3.5Å; F500-F552 HydrophobicContact CD1-CE2 3.5Å; F500-F552 AromaticContact CD1-CZ 3.69Å; F500-F552 HydrophobicContact CD1-CZ 3.69Å; F500-F552 HydrophobicContact CE1-CE1 4.49Å; F500-F552 AromaticContact CE1-CE2 3.92Å; F500-F552 HydrophobicContact CE1-CE2 3.92Å; F500-F552 AromaticContact CE1-CZ 3.75Å; F500-F552 HydrophobicContact CE1-CZ 3.75Å; F500-F552 HydrophobicContact CG-CE2 4.31Å; F500-F552 HydrophobicContact CG-CZ 4.37Å; F500-F552 HydrophobicContact CZ-CZ 4.49Å; F500-L555 HydrophobicContact CD1-CD2 3.75Å; F500-L555 HydrophobicContact CE1-CD2 3.85Å; F500-L555 HydrophobicContact CE1-CG 4.37Å; F500-L556 HydrophobicContact CE1-CD2 3.7Å; F500-L556 HydrophobicContact CZ-CD2 3.59Å; F500-L559 HydrophobicContact CZ-CD2 4.45Å; F500-F586 HydrophobicContact CE2-CE2 4.34Å; F500-F586 AromaticContact CZ-CE2 3.92Å; F500-F586 HydrophobicContact CZ-CE2 3.92Å; F500-F586 AromaticContact CZ-CZ 3.95Å; F500-F586 HydrophobicContact CZ-CZ 3.95Å
501	A	77.9	Confident	75.3	Confident	11 Å²	11	37.5 Å²	37.5	9%	0.091	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-33.4	176	0	0	0	0	0	113.7	M497 I498 H499 F547 L555	M497-A501 PolarHBondContact O-N 3.42Å; M497-A501 VanDerWaalsContact O-N 3.09Å; I498-A501 WeakPolarHBondContact O-CB 3.43Å; I498-A501 PolarHBondContact O-N 3.43Å; I498-A501 VanDerWaalsContact O-N 3.16Å; H499-A501 VanDerWaalsContact C-N 3.35Å; H499-A501 PolarHBondContact O-N 3.44Å; A501-F547 HydrophobicContact CB-CE2 4.38Å; A501-F547 HydrophobicContact CB-CZ 4.08Å; A501-L555 HydrophobicContact CB-CD1 4.31Å; A501-L555 HydrophobicContact CB-CD2 3.55Å
502	C	75.3	Confident	75.6	Confident	18 Å²	18	37.9 Å²	37.9	12%	0.122	21%	0.206	C	C	.	.	H	α-helix	trans	-68.4	-48	173	-61	0	0	0	0	111.2	A168 I498 H499 F500 C504 T505	A168-C502 HydrophobicContact CB-CB 3.83Å; A168-C502 VanDerWaalsContact CB-SG 3.59Å; I498-C502 PolarHBondContact O-N 3.09Å; I498-C502 PolarHBondContact O-SG 3.07Å; H499-C502 WeakPolarHBondContact O-CA 3.42Å; H499-C502 WeakPolarHBondContact O-CB 3.41Å; H499-C502 PolarHBondContact O-N 3.47Å; H499-C502 VanDerWaalsContact O-N 3.07Å; F500-C502 VanDerWaalsContact C-N 3.27Å; F500-C502 PolarHBondContact O-N 3.48Å; C502-C504 VanDerWaalsContact C-N 3.3Å; C502-C504 PolarHBondContact O-N 2.96Å; C502-T505 WeakPolarHBondContact O-CB 3.22Å; C502-T505 PolarHBondContact O-N 3.17Å; C502-T505 PolarHBondContact O-OG1 3.26Å
503	L	77.2	Confident	75.5	Confident	18 Å²	18	37.7 Å²	37.7	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-36.5	178.2	-65.5	178.6	0	0	0	112.2	H499 F500 T505 K506 Y507 V512 V515 I516 L519	H499-L503 WeakPolarHBondContact O-CG 3.41Å; H499-L503 PolarHBondContact O-N 2.78Å; F500-L503 PolarHBondContact O-N 2.95Å; F500-L503 VanDerWaalsContact O-N 3.16Å; L503-T505 PolarHBondContact O-N 2.93Å; L503-T505 VanDerWaalsContact O-N 3.08Å; L503-K506 CarbonylContact O-C 3.56Å; L503-K506 WeakPolarHBondContact O-CA 3.25Å; L503-K506 PolarHBondContact O-N 3.24Å; L503-Y507 PolarHBondContact O-N 3.38Å; L503-V512 HydrophobicContact CB-CG1 4.19Å; L503-V512 HydrophobicContact CD2-CG1 4.17Å; L503-V515 HydrophobicContact CD1-CB 4.27Å; L503-V515 HydrophobicContact CD1-CG1 3.67Å; L503-I516 HydrophobicContact CB-CD1 4.02Å; L503-I516 HydrophobicContact CB-CG1 3.57Å; L503-I516 HydrophobicContact CD1-CG1 4.13Å; L503-I516 HydrophobicContact CG-CG1 4.49Å; L503-L519 HydrophobicContact CD1-CD2 4.05Å
504	C	78.3	Confident	74.9	Confident	14 Å²	14	39.7 Å²	39.7	10%	0.095	22%	0.221	C	C	.	.	H	α-helix	trans	-54.3	-27.7	173.6	-67.7	0	0	0	0	113.3	F500 C502 K506 Y507 L555 L559	F500-C504 VanDerWaalsContact CE1-SG 3.59Å; F500-C504 PolarHBondContact O-N 3.19Å; F500-C504 PolarHBondContact O-SG 2.91Å; C502-C504 VanDerWaalsContact C-N 3.3Å; C502-C504 PolarHBondContact O-N 2.96Å; C504-K506 VanDerWaalsContact C-N 3.28Å; C504-K506 PolarHBondContact O-N 3.48Å; C504-Y507 WeakPolarHBondContact O-CD1 3.44Å; C504-L555 HydrophobicContact CB-CD1 3.94Å; C504-L559 HydrophobicContact CB-CD2 4.35Å; C504-L559 VanDerWaalsContact SG-CD2 3.52Å
505	T	75.2	Confident	74.8	Confident	101 Å²	101	40.4 Å²	40.4	62%	0.62	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.7	175.7	72.6	0	0	0	0	114	C502 L503	C502-T505 WeakPolarHBondContact O-CB 3.22Å; C502-T505 PolarHBondContact O-N 3.17Å; C502-T505 PolarHBondContact O-OG1 3.26Å; L503-T505 PolarHBondContact O-N 2.93Å; L503-T505 VanDerWaalsContact O-N 3.08Å
506	K	73.9	Confident	74.8	Confident	104 Å²	104	39.8 Å²	39.8	45%	0.452	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.1	16.6	-176.5	-62.8	-63.1	-177.9	179.2	0	113.1	L503 C504 M508 C509	L503-K506 CarbonylContact O-C 3.56Å; L503-K506 WeakPolarHBondContact O-CA 3.25Å; L503-K506 PolarHBondContact O-N 3.24Å; C504-K506 VanDerWaalsContact C-N 3.28Å; C504-K506 PolarHBondContact O-N 3.48Å; K506-M508 PolarHBondContact O-N 3.32Å; K506-C509 WeakPolarHBondContact O-CB 3.44Å; K506-C509 PolarHBondContact O-N 3.39Å
507	Y	72.9	Confident	74.5	Confident	40 Å²	40	40.4 Å²	40.4	16%	0.157	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.8	-179.1	75.5	-68.3	0	0	0	114.9	L503 C504 C509 P513 L559 S562 L563 D566	L503-Y507 PolarHBondContact O-N 3.38Å; C504-Y507 WeakPolarHBondContact O-CD1 3.44Å; Y507-C509 VanDerWaalsContact C-N 3.34Å; Y507-P513 WeakPolarHBondContact O-CD 3.4Å; Y507-P513 VanDerWaalsContact O-CG 3.24Å; Y507-P513 WeakPolarHBondContact O-CG 3.32Å; Y507-L559 HydrophobicContact CD1-CD1 4.22Å; Y507-L559 HydrophobicContact CD2-CD1 3.59Å; Y507-L559 HydrophobicContact CE2-CD1 4.27Å; Y507-L559 HydrophobicContact CG-CD1 3.56Å; Y507-S562 WeakPolarHBondContact OH-CB 3.31Å; Y507-L563 HydrophobicContact CD2-CD2 3.73Å; Y507-L563 HydrophobicContact CD2-CG 4.11Å; Y507-L563 HydrophobicContact CE2-CD2 4.06Å; Y507-L563 HydrophobicContact CE2-CG 4.27Å; Y507-D566 WeakPolarHBondContact CE2-OD2 3.43Å; Y507-D566 PolarHBondContact OH-OD2 3.1Å; Y507-D566 VanDerWaalsContact OH-OD2 3.1Å
508	M	67.1	Low	74.1	Confident	68 Å²	68	44.1 Å²	44.1	34%	0.335	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-23	173.8	-80.6	-70.1	113.4	0	0	115.1	K506 D566 Q579	K506-M508 PolarHBondContact O-N 3.32Å; M508-D566 HydrophobicContact CE-CB 3.95Å; M508-D566 VanDerWaalsContact CE-CG 3.4Å; M508-D566 WeakPolarHBondContact CE-OD2 3.38Å; M508-Q579 PolarHBondContact O-NE2 2.63Å; M508-Q579 PolarHBondContact SD-NE2 2.86Å; M508-Q579 VanDerWaalsContact SD-NE2 3.38Å
509	C	68.4	Low	74.3	Confident	55 Å²	55	43.5 Å²	43.5	37%	0.372	25%	0.252	S	S	.	.	S	Bend	trans	-71.7	147.1	-175.5	-65.1	0	0	0	0	111.7	K506 Y507 G511 V512 P513	K506-C509 WeakPolarHBondContact O-CB 3.44Å; K506-C509 PolarHBondContact O-N 3.39Å; Y507-C509 VanDerWaalsContact C-N 3.34Å; C509-G511 PolarHBondContact O-N 3.09Å; C509-V512 HydrophobicContact CB-CB 4.33Å; C509-V512 HydrophobicContact CB-CG2 3.71Å; C509-V512 WeakPolarHBondContact O-CB 3.23Å; C509-V512 PolarHBondContact O-N 3.33Å; C509-P513 VanDerWaalsContact O-CD 3.23Å; C509-P513 WeakPolarHBondContact O-CD 3.24Å
510	Q	66.5	Low	74.4	Confident	171 Å²	171	42.5 Å²	42.5	80%	0.799	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	138.6	179.5	-168.9	176.3	3.1	0	0	111.3	V512	Q510-V512 PolarHBondContact O-N 2.98Å
511	G	65.1	Low	74	Confident	43 Å²	43	44.3 Å²	44.3	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	-28.5	-177.7	0	0	0	0	0	115.6	C509 A514 V515	C509-G511 PolarHBondContact O-N 3.09Å; G511-A514 WeakPolarHBondContact O-CB 3.32Å; G511-A514 PolarHBondContact O-N 3.46Å; G511-A514 VanDerWaalsContact O-N 3.08Å; G511-V515 PolarHBondContact O-N 3.07Å
512	V	73.6	Confident	74.1	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-41.5	-177.3	178.7	0	0	0	0	113.6	L503 C509 Q510 A514 V515 I516	L503-V512 HydrophobicContact CB-CG1 4.19Å; L503-V512 HydrophobicContact CD2-CG1 4.17Å; C509-V512 HydrophobicContact CB-CB 4.33Å; C509-V512 HydrophobicContact CB-CG2 3.71Å; C509-V512 WeakPolarHBondContact O-CB 3.23Å; C509-V512 PolarHBondContact O-N 3.33Å; Q510-V512 PolarHBondContact O-N 2.98Å; V512-A514 VanDerWaalsContact C-N 3.25Å; V512-A514 PolarHBondContact O-N 2.82Å; V512-V515 PolarHBondContact O-N 2.8Å; V512-V515 VanDerWaalsContact O-N 3.16Å; V512-I516 HydrophobicContact CG1-CD1 3.71Å; V512-I516 HydrophobicContact CG1-CG1 3.99Å; V512-I516 WeakPolarHBondContact O-CG1 3.4Å; V512-I516 PolarHBondContact O-N 2.88Å
513	P	72.4	Confident	74.4	Confident	10 Å²	10	44.7 Å²	44.7	7%	0.065	26%	0.262	C	S	.	.	H	α-helix	trans	-54.1	-36.7	173.7	-30	35.5	0	0	0	114.7	Y507 C509 S517	Y507-P513 WeakPolarHBondContact O-CD 3.4Å; Y507-P513 VanDerWaalsContact O-CG 3.24Å; Y507-P513 WeakPolarHBondContact O-CG 3.32Å; C509-P513 VanDerWaalsContact O-CD 3.23Å; C509-P513 WeakPolarHBondContact O-CD 3.24Å; P513-S517 VanDerWaalsContact O-CB 3.3Å; P513-S517 WeakPolarHBondContact O-CB 3.45Å; P513-S517 PolarHBondContact O-N 3.41Å
514	A	67.7	Low	74.4	Confident	47 Å²	47	45.3 Å²	45.3	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-70.3	-43.9	178.5	0	0	0	0	0	111.1	G511 V512 S517 T518	G511-A514 WeakPolarHBondContact O-CB 3.32Å; G511-A514 PolarHBondContact O-N 3.46Å; G511-A514 VanDerWaalsContact O-N 3.08Å; V512-A514 VanDerWaalsContact C-N 3.25Å; V512-A514 PolarHBondContact O-N 2.82Å; A514-S517 WeakPolarHBondContact O-CB 3.48Å; A514-S517 PolarHBondContact O-N 3.41Å; A514-T518 PolarHBondContact O-N 3.44Å; A514-T518 PolarHBondContact O-OG1 3.43Å
515	V	75.1	Confident	74.2	Confident	75 Å²	75	46.3 Å²	46.3	46%	0.455	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-43.3	176.3	-174.7	0	0	0	0	111.2	L503 G511 V512 S517 T518 L519	L503-V515 HydrophobicContact CD1-CB 4.27Å; L503-V515 HydrophobicContact CD1-CG1 3.67Å; G511-V515 PolarHBondContact O-N 3.07Å; V512-V515 PolarHBondContact O-N 2.8Å; V512-V515 VanDerWaalsContact O-N 3.16Å; V515-S517 VanDerWaalsContact C-N 3.31Å; V515-S517 PolarHBondContact O-N 2.86Å; V515-T518 PolarHBondContact O-N 2.93Å; V515-L519 WeakPolarHBondContact O-CB 3.4Å; V515-L519 PolarHBondContact O-N 2.83Å
516	I	77.7	Confident	74.2	Confident	6 Å²	6	44.9 Å²	44.9	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-55.6	-47.2	172.3	-72.3	175.7	0	0	0	110.5	F500 L503 V512 L520 L559 F586	F500-I516 HydrophobicContact CD2-CG2 4.32Å; F500-I516 HydrophobicContact CE2-CG2 3.65Å; F500-I516 HydrophobicContact CZ-CG2 4.44Å; L503-I516 HydrophobicContact CB-CD1 4.02Å; L503-I516 HydrophobicContact CB-CG1 3.57Å; L503-I516 HydrophobicContact CD1-CG1 4.13Å; L503-I516 HydrophobicContact CG-CG1 4.49Å; V512-I516 HydrophobicContact CG1-CD1 3.71Å; V512-I516 HydrophobicContact CG1-CG1 3.99Å; V512-I516 WeakPolarHBondContact O-CG1 3.4Å; V512-I516 PolarHBondContact O-N 2.88Å; I516-L520 WeakPolarHBondContact O-CB 3.26Å; I516-L520 PolarHBondContact O-N 3.33Å; I516-L559 HydrophobicContact CD1-CD2 4.37Å; I516-L559 HydrophobicContact CG2-CD2 3.9Å; I516-F586 HydrophobicContact CG2-CE2 4.28Å
517	S	74.4	Confident	74.3	Confident	13 Å²	13	40.3 Å²	40.3	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-60.3	-54	-180	-161.5	0	0	0	0	111.3	P513 A514 V515 L519 L520 A521 L585	P513-S517 VanDerWaalsContact O-CB 3.3Å; P513-S517 WeakPolarHBondContact O-CB 3.45Å; P513-S517 PolarHBondContact O-N 3.41Å; A514-S517 WeakPolarHBondContact O-CB 3.48Å; A514-S517 PolarHBondContact O-N 3.41Å; V515-S517 VanDerWaalsContact C-N 3.31Å; V515-S517 PolarHBondContact O-N 2.86Å; S517-L519 PolarHBondContact O-N 3.29Å; S517-L520 PolarHBondContact O-N 3.43Å; S517-A521 PolarHBondContact O-N 3.02Å; S517-L585 VanDerWaalsContact O-CD2 3.3Å; S517-L585 WeakPolarHBondContact O-CD2 3.4Å; S517-L585 WeakPolarHBondContact OG-CB 3.19Å
518	T	76	Confident	74	Confident	79 Å²	79	39.9 Å²	39.9	49%	0.485	24%	0.244	S	C	.	.	H	α-helix	trans	-64.5	-41.8	-179.9	-60.2	0	0	0	0	112.6	A514 V515 A521 N522	A514-T518 PolarHBondContact O-N 3.44Å; A514-T518 PolarHBondContact O-OG1 3.43Å; V515-T518 PolarHBondContact O-N 2.93Å; T518-A521 VanDerWaalsContact O-CB 3.3Å; T518-A521 WeakPolarHBondContact O-CB 3.42Å; T518-A521 PolarHBondContact O-N 2.76Å; T518-N522 PolarHBondContact O-N 3.43Å; T518-N522 VanDerWaalsContact O-N 3.14Å; T518-N522 PolarHBondContact O-ND2 3.19Å
519	L	81.8	Confident	73.6	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-43.1	177.5	-176.8	59.5	0	0	0	111.1	W469 A496 H499 F500 L503 V515 S517 A521 N522 I523	W469-L519 HydrophobicContact CB-CD1 4.32Å; W469-L519 HydrophobicContact CE3-CD1 4.37Å; A496-L519 HydrophobicContact CB-CD1 3.9Å; H499-L519 HydrophobicContact CB-CD2 4.37Å; F500-L519 HydrophobicContact CB-CD2 3.8Å; F500-L519 HydrophobicContact CB-CG 4.35Å; L503-L519 HydrophobicContact CD1-CD2 4.05Å; V515-L519 WeakPolarHBondContact O-CB 3.4Å; V515-L519 PolarHBondContact O-N 2.83Å; S517-L519 PolarHBondContact O-N 3.29Å; L519-A521 VanDerWaalsContact C-N 3.32Å; L519-A521 PolarHBondContact O-N 2.85Å; L519-N522 PolarHBondContact O-N 3.47Å; L519-I523 HydrophobicContact CG-CD1 4.14Å; L519-I523 VanDerWaalsContact O-CG1 3.32Å; L519-I523 WeakPolarHBondContact O-CG1 3.5Å; L519-I523 PolarHBondContact O-N 2.89Å
520	L	82	Confident	72.9	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-37.1	175	-172.2	60.5	0	0	0	111.8	F500 I516 S517 N522 I523 N524 F552 L556 F586 F589	F500-L520 HydrophobicContact CD2-CB 4.25Å; F500-L520 HydrophobicContact CE1-CD1 4.49Å; F500-L520 HydrophobicContact CE2-CB 3.75Å; F500-L520 HydrophobicContact CE2-CD1 3.91Å; F500-L520 HydrophobicContact CE2-CD2 4.11Å; F500-L520 HydrophobicContact CE2-CG 4.12Å; F500-L520 HydrophobicContact CZ-CD1 3.9Å; F500-L520 HydrophobicContact CZ-CD2 4.15Å; F500-L520 HydrophobicContact CZ-CG 4.41Å; I516-L520 WeakPolarHBondContact O-CB 3.26Å; I516-L520 PolarHBondContact O-N 3.33Å; S517-L520 PolarHBondContact O-N 3.43Å; L520-N522 VanDerWaalsContact C-N 3.32Å; L520-N522 PolarHBondContact O-N 2.94Å; L520-I523 PolarHBondContact O-N 3.37Å; L520-N524 WeakPolarHBondContact O-CB 3.3Å; L520-N524 PolarHBondContact O-N 3.31Å; L520-F552 HydrophobicContact CD1-CE1 4.03Å; L520-F552 HydrophobicContact CD1-CZ 3.93Å; L520-L556 HydrophobicContact CD1-CD2 4Å; L520-L556 HydrophobicContact CD2-CD2 4.23Å; L520-F586 HydrophobicContact CD2-CD2 3.41Å; L520-F586 VanDerWaalsContact CD2-CD2 3.41Å; L520-F586 HydrophobicContact CD2-CE2 3.47Å; L520-F586 VanDerWaalsContact CD2-CE2 3.47Å; L520-F586 HydrophobicContact CD2-CG 4.01Å; L520-F586 HydrophobicContact CD2-CZ 4.12Å; L520-F589 HydrophobicContact CD1-CD2 3.42Å; L520-F589 VanDerWaalsContact CD1-CD2 3.42Å; L520-F589 HydrophobicContact CD1-CE2 3.49Å; L520-F589 VanDerWaalsContact CD1-CE2 3.49Å; L520-F589 HydrophobicContact CD1-CG 4.27Å; L520-F589 HydrophobicContact CD1-CZ 4.46Å; L520-F589 HydrophobicContact CD2-CD2 4.39Å; L520-F589 HydrophobicContact CG-CD2 3.63Å; L520-F589 HydrophobicContact CG-CE2 4.08Å; L520-F589 WeakPolarHBondContact O-CE2 3.45Å
521	A	76	Confident	72	Confident	37 Å²	37	39.4 Å²	39.4	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-57.2	-44.8	173.5	0	0	0	0	0	112.2	S517 T518 L519 N524 A525 L585	S517-A521 PolarHBondContact O-N 3.02Å; T518-A521 VanDerWaalsContact O-CB 3.3Å; T518-A521 WeakPolarHBondContact O-CB 3.42Å; T518-A521 PolarHBondContact O-N 2.76Å; L519-A521 VanDerWaalsContact C-N 3.32Å; L519-A521 PolarHBondContact O-N 2.85Å; A521-N524 VanDerWaalsContact O-CB 3.28Å; A521-N524 WeakPolarHBondContact O-CB 3.33Å; A521-N524 PolarHBondContact O-N 3.18Å; A521-A525 PolarHBondContact O-N 3.29Å; A521-L585 HydrophobicContact CB-CD2 3.5Å; A521-L585 VanDerWaalsContact CB-CD2 3.5Å
522	N	79.7	Confident	71	Confident	38 Å²	38	42.9 Å²	42.9	20%	0.203	27%	0.268	C	S	.	.	H	α-helix	trans	-71.8	-39	-179.4	-73.1	-70.2	0	0	0	112.2	W469 T518 L519 L520 N524 A525 Y526	W469-N522 HydrophobicContact CB-CB 3.84Å; W469-N522 HydrophobicContact CD2-CB 3.77Å; W469-N522 HydrophobicContact CE3-CB 4.32Å; W469-N522 HydrophobicContact CG-CB 3.53Å; T518-N522 PolarHBondContact O-N 3.43Å; T518-N522 VanDerWaalsContact O-N 3.14Å; T518-N522 PolarHBondContact O-ND2 3.19Å; L519-N522 PolarHBondContact O-N 3.47Å; L520-N522 VanDerWaalsContact C-N 3.32Å; L520-N522 PolarHBondContact O-N 2.94Å; N522-N524 PolarHBondContact O-N 3.48Å; N522-A525 PolarHBondContact O-N 2.67Å; N522-Y526 PolarHBondContact O-N 3.02Å
523	I	80.8	Confident	69.7	Low	0 Å²	0	47.4 Å²	47.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-37.7	169.2	-63.4	166.1	0	0	0	109.9	I493 A496 M497 F500 L519 L520 Y527 F552 F589	I493-I523 HydrophobicContact CD1-CB 4.32Å; I493-I523 HydrophobicContact CD1-CG1 4.06Å; I493-I523 HydrophobicContact CD1-CG2 4.19Å; A496-I523 HydrophobicContact CB-CD1 4.39Å; A496-I523 HydrophobicContact CB-CG1 4.25Å; M497-I523 HydrophobicContact CG-CD1 4.09Å; M497-I523 HydrophobicContact CG-CG1 4.43Å; M497-I523 HydrophobicContact CG-CG2 4.14Å; F500-I523 HydrophobicContact CB-CD1 4.04Å; F500-I523 HydrophobicContact CG-CD1 4.34Å; L519-I523 HydrophobicContact CG-CD1 4.14Å; L519-I523 VanDerWaalsContact O-CG1 3.32Å; L519-I523 WeakPolarHBondContact O-CG1 3.5Å; L519-I523 PolarHBondContact O-N 2.89Å; L520-I523 PolarHBondContact O-N 3.37Å; I523-Y527 HydrophobicContact CG2-CD2 4.29Å; I523-Y527 HydrophobicContact CG2-CE2 4.22Å; I523-Y527 VanDerWaalsContact O-CD2 3.3Å; I523-Y527 WeakPolarHBondContact O-CD2 3.06Å; I523-Y527 PolarHBondContact O-N 3.16Å; I523-F552 HydrophobicContact CD1-CZ 4.24Å; I523-F552 HydrophobicContact CG2-CZ 4.15Å; I523-F589 HydrophobicContact CB-CE2 4.24Å; I523-F589 HydrophobicContact CG2-CE2 4.05Å; I523-F589 HydrophobicContact CG2-CZ 3.93Å
524	N	77.6	Confident	68.7	Low	30 Å²	30	48.5 Å²	48.5	16%	0.16	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-49.5	177.5	-159.3	30.9	0	0	0	110.8	L520 A521 N522 Y526 Y527 A528 F589 V592	L520-N524 WeakPolarHBondContact O-CB 3.3Å; L520-N524 PolarHBondContact O-N 3.31Å; A521-N524 VanDerWaalsContact O-CB 3.28Å; A521-N524 WeakPolarHBondContact O-CB 3.33Å; A521-N524 PolarHBondContact O-N 3.18Å; N522-N524 PolarHBondContact O-N 3.48Å; N524-Y526 VanDerWaalsContact C-N 3.28Å; N524-Y526 PolarHBondContact O-N 3.11Å; N524-Y527 PolarHBondContact O-N 2.68Å; N524-A528 WeakPolarHBondContact O-CB 3.15Å; N524-A528 PolarHBondContact O-N 3.45Å; N524-F589 HydrophobicContact CB-CD2 3.45Å; N524-F589 VanDerWaalsContact CB-CD2 3.45Å; N524-F589 HydrophobicContact CB-CE2 3.32Å; N524-F589 HydrophobicContact CB-CG 4.31Å; N524-F589 HydrophobicContact CB-CZ 4.01Å; N524-V592 WeakPolarHBondContact OD1-CG2 3.48Å
525	A	74.6	Confident	68.1	Low	36 Å²	36	51 Å²	51	30%	0.298	32%	0.324	S	S	.	.	H	α-helix	trans	-57.7	-41.2	179.9	0	0	0	0	0	111.8	A521 N522 Y527 A528 H529	A521-A525 PolarHBondContact O-N 3.29Å; N522-A525 PolarHBondContact O-N 2.67Å; A525-Y527 PolarHBondContact O-N 2.87Å; A525-A528 PolarHBondContact O-N 2.86Å; A525-H529 WeakPolarHBondContact O-CB 3.37Å; A525-H529 PolarHBondContact O-N 2.86Å
526	Y	75.3	Confident	67.4	Low	70 Å²	70	49 Å²	49	28%	0.275	31%	0.312	S	S	.	.	H	α-helix	trans	-56.8	-48.2	177.4	-174.3	-89.7	0	0	0	112.9	I493 N522 N524	I493-Y526 HydrophobicContact CB-CD1 4.23Å; I493-Y526 HydrophobicContact CB-CE1 3.99Å; I493-Y526 HydrophobicContact CB-CE2 4.28Å; I493-Y526 HydrophobicContact CB-CG 4.49Å; I493-Y526 HydrophobicContact CD1-CD1 3.83Å; I493-Y526 HydrophobicContact CD1-CD2 4.36Å; I493-Y526 HydrophobicContact CD1-CE1 4.45Å; I493-Y526 HydrophobicContact CD1-CG 3.78Å; I493-Y526 HydrophobicContact CG1-CD1 3.67Å; I493-Y526 HydrophobicContact CG1-CE1 3.83Å; I493-Y526 HydrophobicContact CG1-CG 4.07Å; I493-Y526 HydrophobicContact CG2-CE1 3.92Å; N522-Y526 PolarHBondContact O-N 3.02Å; N524-Y526 VanDerWaalsContact C-N 3.28Å; N524-Y526 PolarHBondContact O-N 3.11Å
527	Y	75.4	Confident	66.9	Low	8 Å²	8	50.1 Å²	50.1	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-82.9	-25.5	-179.6	-68.7	-75.7	0	0	0	113.3	I493 M497 I523 N524 A525 R541 F542 S545	I493-Y527 HydrophobicContact CD1-CE2 4.02Å; I493-Y527 HydrophobicContact CG1-CE2 3.76Å; M497-Y527 HydrophobicContact SD-CE2 4.16Å; I523-Y527 HydrophobicContact CG2-CD2 4.29Å; I523-Y527 HydrophobicContact CG2-CE2 4.22Å; I523-Y527 VanDerWaalsContact O-CD2 3.3Å; I523-Y527 WeakPolarHBondContact O-CD2 3.06Å; I523-Y527 PolarHBondContact O-N 3.16Å; N524-Y527 PolarHBondContact O-N 2.68Å; A525-Y527 PolarHBondContact O-N 2.87Å; Y527-R541 HydrophobicContact CD1-CB 4.49Å; Y527-R541 VanDerWaalsContact O-CZ 3.3Å; Y527-R541 PolarHBondContact O-NE 3.13Å; Y527-R541 PolarHBondContact O-NH2 3.46Å; Y527-F542 HydrophobicContact CD1-CB 4.24Å; Y527-F542 HydrophobicContact CD1-CD2 4.02Å; Y527-F542 AromaticContact CD2-CD2 3.56Å; Y527-F542 HydrophobicContact CD2-CD2 3.56Å; Y527-F542 HydrophobicContact CD2-CE2 4.01Å; Y527-F542 HydrophobicContact CE1-CD2 4.13Å; Y527-F542 AromaticContact CE2-CD2 3.68Å; Y527-F542 HydrophobicContact CE2-CD2 3.68Å; Y527-F542 AromaticContact CE2-CE2 3.85Å; Y527-F542 HydrophobicContact CE2-CE2 3.85Å; Y527-F542 HydrophobicContact CG-CB 4.42Å; Y527-F542 AromaticContact CG-CD2 3.75Å; Y527-F542 HydrophobicContact CG-CD2 3.75Å; Y527-F542 AromaticContact CZ-CD2 3.97Å; Y527-S545 VanDerWaalsContact OH-CB 3.31Å; Y527-S545 WeakPolarHBondContact OH-CB 3.3Å; Y527-S545 PolarHBondContact OH-OG 2.86Å; Y527-S545 VanDerWaalsContact OH-OG 3.06Å
528	A	67.5	Low	66.5	Low	32 Å²	32	50.4 Å²	50.4	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-85.2	-44.9	-178.9	0	0	0	0	0	114.3	N524 A525 R541 V592	N524-A528 WeakPolarHBondContact O-CB 3.15Å; N524-A528 PolarHBondContact O-N 3.45Å; A525-A528 PolarHBondContact O-N 2.86Å; A528-R541 PolarHBondContact O-NH2 3.49Å; A528-R541 VanDerWaalsContact O-NH2 3.1Å; A528-V592 HydrophobicContact CB-CG1 4.2Å
529	H	58.4	Low	66.3	Low	158 Å²	158	47.1 Å²	47.1	73%	0.731	30%	0.304	S	S	*	.			trans	-95.6	16.4	-165.2	-71.2	-63.1	0	0	0	115.9	A525 T531	A525-H529 WeakPolarHBondContact O-CB 3.37Å; A525-H529 PolarHBondContact O-N 2.86Å; H529-T531 PolarHBondContact O-N 2.87Å
530	T	52.7	Low	65.7	Low	37 Å²	37	50.7 Å²	50.7	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	-73.7	68.5	178.4	24.1	0	0	0	0	113.4	V438 R541	V438-T530 HydrophobicContact CG2-CG2 3.97Å; T530-R541 PolarHBondContact OG1-NE 3.42Å
531	T	47.4	Very low	65.2	Low	88 Å²	88	52.2 Å²	52.2	54%	0.54	33%	0.328	S	S	.	.			trans	57.2	131	171.9	46.1	0	0	0	0	117.2	H529 T533 S534	H529-T531 PolarHBondContact O-N 2.87Å; T531-T533 PolarHBondContact O-N 3.1Å; T531-S534 PolarHBondContact O-N 3.24Å
532	A	43.8	Very low	65.3	Low	116 Å²	116	50.5 Å²	50.5	96%	0.959	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	17.7	-173.4	0	0	0	0	0	116.6
533	T	47.9	Very low	65	Low	106 Å²	106	50.6 Å²	50.6	65%	0.65	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	4.6	-179.9	49.8	0	0	0	0	113.1	T531 A535	T531-T533 PolarHBondContact O-N 3.1Å; T533-A535 PolarHBondContact O-N 2.93Å
534	S	50.9	Low	64.4	Low	34 Å²	34	50.7 Å²	50.7	24%	0.238	32%	0.321	C	S	.	.			trans	-68	122.9	179.1	67.2	0	0	0	0	112.5	T531 V536 R541	T531-S534 PolarHBondContact O-N 3.24Å; S534-V536 PolarHBondContact O-N 3.1Å; S534-V536 VanDerWaalsContact O-N 3.07Å; S534-R541 PolarHBondContact OG-NH1 2.93Å
535	A	54.7	Low	64.4	Low	98 Å²	98	49.6 Å²	49.6	81%	0.81	32%	0.315	S	S	*	.	S	Bend	trans	-77.2	18.4	178.5	0	0	0	0	0	115.1	T533	T533-A535 PolarHBondContact O-N 2.93Å
536	V	61	Low	64.2	Low	35 Å²	35	49.2 Å²	49.2	21%	0.212	31%	0.309	C	S	.	.	S	Bend	trans	-136	136.8	-169.7	177.9	0	0	0	0	109.1	L344 S534 D540 R541	L344-V536 HydrophobicContact CD2-CG1 3.8Å; L344-V536 HydrophobicContact CD2-CG2 4.37Å; S534-V536 PolarHBondContact O-N 3.1Å; S534-V536 VanDerWaalsContact O-N 3.07Å; V536-D540 HydrophobicContact CG1-CB 3.59Å; V536-R541 HydrophobicContact CB-CG 4.43Å; V536-R541 HydrophobicContact CG1-CG 3.94Å; V536-R541 PolarHBondContact O-NH1 2.92Å
537	S	66	Low	64.2	Low	29 Å²	29	46.4 Å²	46.4	20%	0.203	30%	0.298	C	S	.	.			trans	-64.2	159	-179.4	79.8	0	0	0	0	112.5	S539 D540 R541	S537-S539 PolarHBondContact O-N 3.27Å; S537-S539 PolarHBondContact OG-N 3Å; S537-D540 WeakPolarHBondContact CB-OD2 3.2Å; S537-D540 PolarHBondContact O-N 2.92Å; S537-D540 WeakPolarHBondContact OG-CB 3.23Å; S537-D540 PolarHBondContact OG-N 3.4Å; S537-D540 PolarHBondContact OG-OD2 3.46Å; S537-R541 WeakPolarHBondContact O-CG 3.36Å; S537-R541 PolarHBondContact O-N 3.17Å
538	A	67.7	Low	64.1	Low	18 Å²	18	47.3 Å²	47.3	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-33.5	172.4	0	0	0	0	0	111.8	F542 V592	A538-F542 WeakPolarHBondContact O-CB 3.41Å; A538-F542 PolarHBondContact O-N 3.14Å; A538-V592 HydrophobicContact CB-CG1 3.87Å
539	S	71.9	Confident	64.4	Low	11 Å²	11	48.6 Å²	48.6	8%	0.077	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-35.6	178	-161.5	0	0	0	0	112.9	S537 A543 K549 L593	S537-S539 PolarHBondContact O-N 3.27Å; S537-S539 PolarHBondContact OG-N 3Å; S539-A543 PolarHBondContact O-N 3.37Å; S539-K549 PolarHBondContact O-NZ 3.46Å; S539-K549 PolarHBondContact OG-NZ 3.45Å; S539-L593 PolarHBondContact OG-O 3.4Å
540	D	69.1	Low	65.3	Low	81 Å²	81	44.8 Å²	44.8	43%	0.433	30%	0.295	S	S	.	.	H	α-helix	trans	-79.7	-40.1	177.4	-62.3	-44.5	0	0	0	111.8	V536 S537 F542 A543 A544	V536-D540 HydrophobicContact CG1-CB 3.59Å; S537-D540 WeakPolarHBondContact CB-OD2 3.2Å; S537-D540 PolarHBondContact O-N 2.92Å; S537-D540 WeakPolarHBondContact OG-CB 3.23Å; S537-D540 PolarHBondContact OG-N 3.4Å; S537-D540 PolarHBondContact OG-OD2 3.46Å; D540-F542 PolarHBondContact O-N 2.89Å; D540-A543 WeakPolarHBondContact O-CB 3.45Å; D540-A543 PolarHBondContact O-N 2.77Å; D540-A543 VanDerWaalsContact O-N 3.08Å; D540-A544 PolarHBondContact O-N 3.29Å; D540-A544 VanDerWaalsContact O-N 3.09Å
541	R	71.3	Confident	66.5	Low	35 Å²	35	48 Å²	48	13%	0.132	30%	0.302	C	S	.	.	H	α-helix	trans	-57.4	-38.4	170	-69.5	-170.7	-55.9	-110.3	20.7	111.4	Y527 A528 T530 S534 V536 S537 A544	Y527-R541 HydrophobicContact CD1-CB 4.49Å; Y527-R541 VanDerWaalsContact O-CZ 3.3Å; Y527-R541 PolarHBondContact O-NE 3.13Å; Y527-R541 PolarHBondContact O-NH2 3.46Å; A528-R541 PolarHBondContact O-NH2 3.49Å; A528-R541 VanDerWaalsContact O-NH2 3.1Å; T530-R541 PolarHBondContact OG1-NE 3.42Å; S534-R541 PolarHBondContact OG-NH1 2.93Å; V536-R541 HydrophobicContact CB-CG 4.43Å; V536-R541 HydrophobicContact CG1-CG 3.94Å; V536-R541 PolarHBondContact O-NH1 2.92Å; S537-R541 WeakPolarHBondContact O-CG 3.36Å; S537-R541 PolarHBondContact O-N 3.17Å; R541-A544 PolarHBondContact O-N 3.1Å
542	F	76.9	Confident	68.1	Low	1 Å²	1	43.8 Å²	43.8	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-73.3	-32.7	174.5	-170.3	-102.6	0	0	0	113.3	M497 Y527 A538 D540 A544 S545 K549 F552 L593	M497-F542 HydrophobicContact CE-CE2 3.69Å; M497-F542 HydrophobicContact CE-CZ 3.79Å; Y527-F542 HydrophobicContact CD1-CB 4.24Å; Y527-F542 HydrophobicContact CD1-CD2 4.02Å; Y527-F542 AromaticContact CD2-CD2 3.56Å; Y527-F542 HydrophobicContact CD2-CD2 3.56Å; Y527-F542 HydrophobicContact CD2-CE2 4.01Å; Y527-F542 HydrophobicContact CE1-CD2 4.13Å; Y527-F542 AromaticContact CE2-CD2 3.68Å; Y527-F542 HydrophobicContact CE2-CD2 3.68Å; Y527-F542 AromaticContact CE2-CE2 3.85Å; Y527-F542 HydrophobicContact CE2-CE2 3.85Å; Y527-F542 HydrophobicContact CG-CB 4.42Å; Y527-F542 AromaticContact CG-CD2 3.75Å; Y527-F542 HydrophobicContact CG-CD2 3.75Å; Y527-F542 AromaticContact CZ-CD2 3.97Å; A538-F542 WeakPolarHBondContact O-CB 3.41Å; A538-F542 PolarHBondContact O-N 3.14Å; D540-F542 PolarHBondContact O-N 2.89Å; F542-A544 PolarHBondContact O-N 2.85Å; F542-S545 WeakPolarHBondContact O-CB 3.48Å; F542-S545 PolarHBondContact O-N 3.29Å; F542-K549 HydrophobicContact CD1-CB 4.04Å; F542-K549 HydrophobicContact CD1-CD 4.2Å; F542-K549 HydrophobicContact CD1-CG 3.81Å; F542-K549 HydrophobicContact CE1-CB 4.08Å; F542-K549 HydrophobicContact CE1-CG 3.99Å; F542-F552 HydrophobicContact CE1-CB 4.29Å; F542-F552 HydrophobicContact CE1-CD1 4.39Å; F542-F552 HydrophobicContact CE2-CD1 4.24Å; F542-F552 HydrophobicContact CZ-CB 3.76Å; F542-F552 AromaticContact CZ-CD1 3.5Å; F542-F552 HydrophobicContact CZ-CD1 3.5Å; F542-F552 HydrophobicContact CZ-CE1 4.27Å; F542-F552 AromaticContact CZ-CG 3.8Å; F542-F552 HydrophobicContact CZ-CG 3.8Å; F542-L593 HydrophobicContact CB-CD2 4.04Å; F542-L593 HydrophobicContact CD1-CD2 3.28Å; F542-L593 HydrophobicContact CD2-CD2 4.48Å; F542-L593 HydrophobicContact CE1-CD2 3.81Å; F542-L593 HydrophobicContact CG-CD2 3.67Å
543	A	74.1	Confident	69.8	Low	40 Å²	40	39.5 Å²	39.5	33%	0.331	24%	0.239	S	C	.	.	H	α-helix	trans	-60.6	-32.6	172.3	0	0	0	0	0	112.2	S539 D540 S545 K549	S539-A543 PolarHBondContact O-N 3.37Å; D540-A543 WeakPolarHBondContact O-CB 3.45Å; D540-A543 PolarHBondContact O-N 2.77Å; D540-A543 VanDerWaalsContact O-N 3.08Å; A543-S545 PolarHBondContact O-N 2.86Å; A543-K549 HydrophobicContact CB-CD 3.9Å
544	A	68.1	Low	71.3	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.017	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	16	172.4	0	0	0	0	0	114.7	L344 W426 R440 D540 R541 F542	L344-A544 HydrophobicContact CD1-CB 4.01Å; W426-A544 WeakPolarHBondContact CB-O 3.47Å; W426-A544 HydrophobicContact CD2-CB 3.73Å; W426-A544 HydrophobicContact CE3-CB 3.82Å; W426-A544 HydrophobicContact CG-CB 4.13Å; W426-A544 HydrophobicContact CH2-CB 4.47Å; W426-A544 HydrophobicContact CZ2-CB 4.43Å; W426-A544 HydrophobicContact CZ3-CB 4.19Å; R440-A544 PolarHBondContact NH1-O 3.05Å; D540-A544 PolarHBondContact O-N 3.29Å; D540-A544 VanDerWaalsContact O-N 3.09Å; R541-A544 PolarHBondContact O-N 3.1Å; F542-A544 PolarHBondContact O-N 2.85Å
545	S	76.9	Confident	72.6	Confident	6 Å²	6	41.9 Å²	41.9	4%	0.042	23%	0.232	C	C	.	.			trans	-77.9	128.9	174.3	-179.4	0	0	0	0	112.2	M497 Y527 F542 A543 F547 G548	M497-S545 PolarHBondContact SD-OG 2.9Å; M497-S545 VanDerWaalsContact SD-OG 3.41Å; Y527-S545 VanDerWaalsContact OH-CB 3.31Å; Y527-S545 WeakPolarHBondContact OH-CB 3.3Å; Y527-S545 PolarHBondContact OH-OG 2.86Å; Y527-S545 VanDerWaalsContact OH-OG 3.06Å; F542-S545 WeakPolarHBondContact O-CB 3.48Å; F542-S545 PolarHBondContact O-N 3.29Å; A543-S545 PolarHBondContact O-N 2.86Å; S545-F547 PolarHBondContact O-N 3.26Å; S545-F547 VanDerWaalsContact O-N 3.12Å; S545-F547 PolarHBondContact OG-N 3.1Å; S545-G548 PolarHBondContact O-N 3.23Å
546	N	71.3	Confident	73.8	Confident	29 Å²	29	38 Å²	38	16%	0.155	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.2	174.6	-70.5	-46	0	0	0	113.7	W426 E491 Y494	W426-N546 PolarHBondContact N-OD1 2.95Å; W426-N546 PolarHBondContact O-ND2 3.49Å; E491-N546 PolarHBondContact OE2-ND2 3.17Å; Y494-N546 HydrophobicContact CD2-CB 4.02Å; Y494-N546 HydrophobicContact CE2-CB 4.44Å; Y494-N546 WeakPolarHBondContact CE2-O 3.37Å
547	F	75.8	Confident	74.5	Confident	10 Å²	10	38.6 Å²	38.6	4%	0.044	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-24.5	171.6	-170.8	-84.4	0	0	0	112.8	Y494 M497 I498 A501 S545 R551 F552 L555	Y494-F547 HydrophobicContact CD2-CB 4.26Å; Y494-F547 HydrophobicContact CE2-CB 4.34Å; M497-F547 HydrophobicContact CB-CB 4.24Å; M497-F547 HydrophobicContact CB-CD2 3.56Å; M497-F547 HydrophobicContact CB-CE2 4.02Å; M497-F547 HydrophobicContact CB-CG 3.94Å; M497-F547 HydrophobicContact CE-CB 3.61Å; M497-F547 HydrophobicContact CE-CD1 3.97Å; M497-F547 HydrophobicContact CE-CG 3.86Å; M497-F547 WeakPolarHBondContact O-CE2 3.47Å; M497-F547 HydrophobicContact SD-CB 3.86Å; M497-F547 HydrophobicContact SD-CG 4.4Å; I498-F547 HydrophobicContact CD1-CD2 4.1Å; I498-F547 HydrophobicContact CD1-CE2 3.78Å; I498-F547 HydrophobicContact CG1-CD2 4.2Å; I498-F547 HydrophobicContact CG1-CE2 4.12Å; A501-F547 HydrophobicContact CB-CE2 4.38Å; A501-F547 HydrophobicContact CB-CZ 4.08Å; S545-F547 PolarHBondContact O-N 3.26Å; S545-F547 VanDerWaalsContact O-N 3.12Å; S545-F547 PolarHBondContact OG-N 3.1Å; F547-R551 HydrophobicContact CD1-CB 4.27Å; F547-R551 HydrophobicContact CD1-CG 4.32Å; F547-R551 HydrophobicContact CE1-CB 4.12Å; F547-R551 HydrophobicContact CE1-CG 3.78Å; F547-R551 HydrophobicContact CZ-CG 4.46Å; F547-R551 WeakPolarHBondContact O-CD 3.49Å; F547-F552 HydrophobicContact CD1-CB 3.84Å; F547-F552 AromaticContact CD1-CD2 3.92Å; F547-F552 HydrophobicContact CD1-CD2 3.92Å; F547-F552 HydrophobicContact CD1-CG 4.38Å; F547-F552 HydrophobicContact CE1-CB 3.92Å; F547-F552 AromaticContact CE1-CD2 3.74Å; F547-F552 HydrophobicContact CE1-CD2 3.74Å; F547-F552 HydrophobicContact CE1-CG 4.34Å; F547-F552 HydrophobicContact CZ-CD2 4.26Å; F547-L555 HydrophobicContact CZ-CD2 4.36Å
548	G	72.1	Confident	75.1	Confident	28 Å²	28	43.4 Å²	43.4	29%	0.289	22%	0.219	S	C	.	.			trans	88.5	120.2	-174.4	0	0	0	0	0	113.2	S545 D550 R551 F552	S545-G548 PolarHBondContact O-N 3.23Å; G548-D550 PolarHBondContact O-N 2.98Å; G548-R551 WeakPolarHBondContact O-CB 3.33Å; G548-R551 PolarHBondContact O-N 3.01Å; G548-F552 PolarHBondContact O-N 3.34Å; G548-F552 VanDerWaalsContact O-N 3.09Å
549	K	74.8	Confident	75.6	Confident	58 Å²	58	42.9 Å²	42.9	25%	0.252	21%	0.214	S	C	.	.	H	α-helix	trans	-53.4	-54.3	179.8	172.6	168.7	-176.3	170.5	0	112.7	S539 F542 A543 R551 F552 V553	S539-K549 PolarHBondContact O-NZ 3.46Å; S539-K549 PolarHBondContact OG-NZ 3.45Å; F542-K549 HydrophobicContact CD1-CB 4.04Å; F542-K549 HydrophobicContact CD1-CD 4.2Å; F542-K549 HydrophobicContact CD1-CG 3.81Å; F542-K549 HydrophobicContact CE1-CB 4.08Å; F542-K549 HydrophobicContact CE1-CG 3.99Å; A543-K549 HydrophobicContact CB-CD 3.9Å; K549-R551 VanDerWaalsContact C-N 3.26Å; K549-R551 PolarHBondContact O-N 3.38Å; K549-F552 PolarHBondContact O-N 2.99Å; K549-V553 HydrophobicContact CG-CG2 4.46Å; K549-V553 WeakPolarHBondContact O-CG2 3.49Å; K549-V553 PolarHBondContact O-N 2.51Å
550	D	76.7	Confident	75.7	Confident	79 Å²	79	43.3 Å²	43.3	42%	0.422	21%	0.214	S	C	.	.	H	α-helix	trans	-61.8	-33.8	-179.2	-63.7	-31.9	0	0	0	112.9	G548 R554	G548-D550 PolarHBondContact O-N 2.98Å; D550-R554 WeakPolarHBondContact O-CB 3.32Å; D550-R554 WeakPolarHBondContact O-CG 3.37Å; D550-R554 PolarHBondContact O-N 2.71Å
551	R	78.4	Confident	76.1	Confident	104 Å²	104	43.4 Å²	43.4	39%	0.392	22%	0.215	S	C	.	.	H	α-helix	trans	-67.5	-44.7	178.2	-171.8	-173.5	-179.3	-177.4	-0	110.8	C172 F547 G548 K549 L555	C172-R551 PolarHBondContact SG-NH2 2.9Å; F547-R551 HydrophobicContact CD1-CB 4.27Å; F547-R551 HydrophobicContact CD1-CG 4.32Å; F547-R551 HydrophobicContact CE1-CB 4.12Å; F547-R551 HydrophobicContact CE1-CG 3.78Å; F547-R551 HydrophobicContact CZ-CG 4.46Å; F547-R551 WeakPolarHBondContact O-CD 3.49Å; G548-R551 WeakPolarHBondContact O-CB 3.33Å; G548-R551 PolarHBondContact O-N 3.01Å; K549-R551 VanDerWaalsContact C-N 3.26Å; K549-R551 PolarHBondContact O-N 3.38Å; R551-L555 WeakPolarHBondContact O-CB 3.37Å; R551-L555 PolarHBondContact O-N 3.31Å
552	F	81.2	Confident	76.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-42.2	177.8	-160.7	-100.1	0	0	0	111.6	M497 F500 L520 I523 F542 F547 G548 K549 R554 L555 L556	M497-F552 HydrophobicContact CB-CD2 4.33Å; M497-F552 HydrophobicContact CB-CE2 4.05Å; M497-F552 HydrophobicContact CE-CB 3.95Å; M497-F552 HydrophobicContact CE-CD1 4.25Å; M497-F552 HydrophobicContact CE-CD2 3.32Å; M497-F552 HydrophobicContact CE-CE2 3.76Å; M497-F552 HydrophobicContact CE-CG 3.59Å; M497-F552 HydrophobicContact CE-CZ 4.38Å; M497-F552 HydrophobicContact CG-CD2 4.32Å; M497-F552 HydrophobicContact CG-CE2 3.91Å; F500-F552 HydrophobicContact CD1-CD2 4.49Å; F500-F552 AromaticContact CD1-CE2 3.5Å; F500-F552 HydrophobicContact CD1-CE2 3.5Å; F500-F552 AromaticContact CD1-CZ 3.69Å; F500-F552 HydrophobicContact CD1-CZ 3.69Å; F500-F552 HydrophobicContact CE1-CE1 4.49Å; F500-F552 AromaticContact CE1-CE2 3.92Å; F500-F552 HydrophobicContact CE1-CE2 3.92Å; F500-F552 AromaticContact CE1-CZ 3.75Å; F500-F552 HydrophobicContact CE1-CZ 3.75Å; F500-F552 HydrophobicContact CG-CE2 4.31Å; F500-F552 HydrophobicContact CG-CZ 4.37Å; F500-F552 HydrophobicContact CZ-CZ 4.49Å; L520-F552 HydrophobicContact CD1-CE1 4.03Å; L520-F552 HydrophobicContact CD1-CZ 3.93Å; I523-F552 HydrophobicContact CD1-CZ 4.24Å; I523-F552 HydrophobicContact CG2-CZ 4.15Å; F542-F552 HydrophobicContact CE1-CB 4.29Å; F542-F552 HydrophobicContact CE1-CD1 4.39Å; F542-F552 HydrophobicContact CE2-CD1 4.24Å; F542-F552 HydrophobicContact CZ-CB 3.76Å; F542-F552 AromaticContact CZ-CD1 3.5Å; F542-F552 HydrophobicContact CZ-CD1 3.5Å; F542-F552 HydrophobicContact CZ-CE1 4.27Å; F542-F552 AromaticContact CZ-CG 3.8Å; F542-F552 HydrophobicContact CZ-CG 3.8Å; F547-F552 HydrophobicContact CD1-CB 3.84Å; F547-F552 AromaticContact CD1-CD2 3.92Å; F547-F552 HydrophobicContact CD1-CD2 3.92Å; F547-F552 HydrophobicContact CD1-CG 4.38Å; F547-F552 HydrophobicContact CE1-CB 3.92Å; F547-F552 AromaticContact CE1-CD2 3.74Å; F547-F552 HydrophobicContact CE1-CD2 3.74Å; F547-F552 HydrophobicContact CE1-CG 4.34Å; F547-F552 HydrophobicContact CZ-CD2 4.26Å; G548-F552 PolarHBondContact O-N 3.34Å; G548-F552 VanDerWaalsContact O-N 3.09Å; K549-F552 PolarHBondContact O-N 2.99Å; F552-R554 PolarHBondContact O-N 2.79Å; F552-L555 HydrophobicContact CD2-CD2 4.36Å; F552-L555 WeakPolarHBondContact O-CB 3.36Å; F552-L555 PolarHBondContact O-N 2.95Å; F552-L555 VanDerWaalsContact O-N 3.16Å; F552-L556 HydrophobicContact CD1-CD1 3.73Å; F552-L556 HydrophobicContact CD1-CD2 4.36Å; F552-L556 HydrophobicContact CD1-CG 3.89Å; F552-L556 HydrophobicContact CE1-CD1 3.78Å; F552-L556 HydrophobicContact CE1-CD2 3.87Å; F552-L556 HydrophobicContact CE1-CG 3.91Å; F552-L556 HydrophobicContact CZ-CD2 4.36Å; F552-L556 WeakPolarHBondContact O-CG 3.46Å; F552-L556 PolarHBondContact O-N 3.21Å
553	V	78.8	Confident	76.4	Confident	26 Å²	26	44.5 Å²	44.5	16%	0.158	23%	0.227	C	C	.	.	H	α-helix	trans	-60.6	-44.9	176.9	173.4	0	0	0	0	111.4	K549 L555 L556 D557 L593	K549-V553 HydrophobicContact CG-CG2 4.46Å; K549-V553 WeakPolarHBondContact O-CG2 3.49Å; K549-V553 PolarHBondContact O-N 2.51Å; V553-L555 VanDerWaalsContact C-N 3.31Å; V553-L555 PolarHBondContact O-N 3.32Å; V553-L556 WeakPolarHBondContact O-CB 3.35Å; V553-L556 PolarHBondContact O-N 3.09Å; V553-D557 PolarHBondContact O-N 3.36Å; V553-L593 HydrophobicContact CG2-CD1 4.07Å
554	R	79.6	Confident	76.6	Confident	163 Å²	163	48 Å²	48	62%	0.615	23%	0.231	S	C	*	.	H	α-helix	trans	-61.1	-38	175	-71.3	173.1	-154.1	-178.7	8.4	112.9	D550 F552 D557 Q558	D550-R554 WeakPolarHBondContact O-CB 3.32Å; D550-R554 WeakPolarHBondContact O-CG 3.37Å; D550-R554 PolarHBondContact O-N 2.71Å; F552-R554 PolarHBondContact O-N 2.79Å; R554-D557 PolarHBondContact O-N 3.39Å; R554-Q558 WeakPolarHBondContact O-CB 3.46Å; R554-Q558 VanDerWaalsContact O-CG 3.26Å; R554-Q558 WeakPolarHBondContact O-CG 3.35Å; R554-Q558 PolarHBondContact O-N 2.82Å
555	L	78.8	Confident	77.1	Confident	26 Å²	26	52.7 Å²	52.7	14%	0.136	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-41.9	175.6	176.1	74.9	0	0	0	111.5	F500 A501 C504 F547 R551 F552 V553 Q558 L559	F500-L555 HydrophobicContact CD1-CD2 3.75Å; F500-L555 HydrophobicContact CE1-CD2 3.85Å; F500-L555 HydrophobicContact CE1-CG 4.37Å; A501-L555 HydrophobicContact CB-CD1 4.31Å; A501-L555 HydrophobicContact CB-CD2 3.55Å; C504-L555 HydrophobicContact CB-CD1 3.94Å; F547-L555 HydrophobicContact CZ-CD2 4.36Å; R551-L555 WeakPolarHBondContact O-CB 3.37Å; R551-L555 PolarHBondContact O-N 3.31Å; F552-L555 HydrophobicContact CD2-CD2 4.36Å; F552-L555 WeakPolarHBondContact O-CB 3.36Å; F552-L555 PolarHBondContact O-N 2.95Å; F552-L555 VanDerWaalsContact O-N 3.16Å; V553-L555 VanDerWaalsContact C-N 3.31Å; V553-L555 PolarHBondContact O-N 3.32Å; L555-Q558 PolarHBondContact O-N 2.96Å; L555-L559 PolarHBondContact O-N 3.05Å
556	L	78.3	Confident	76.9	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.089	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-46.8	173.5	-66.5	178.6	0	0	0	111.3	F500 L520 F552 V553 Q558 L559 H560 F586 L593	F500-L556 HydrophobicContact CE1-CD2 3.7Å; F500-L556 HydrophobicContact CZ-CD2 3.59Å; L520-L556 HydrophobicContact CD1-CD2 4Å; L520-L556 HydrophobicContact CD2-CD2 4.23Å; F552-L556 HydrophobicContact CD1-CD1 3.73Å; F552-L556 HydrophobicContact CD1-CD2 4.36Å; F552-L556 HydrophobicContact CD1-CG 3.89Å; F552-L556 HydrophobicContact CE1-CD1 3.78Å; F552-L556 HydrophobicContact CE1-CD2 3.87Å; F552-L556 HydrophobicContact CE1-CG 3.91Å; F552-L556 HydrophobicContact CZ-CD2 4.36Å; F552-L556 WeakPolarHBondContact O-CG 3.46Å; F552-L556 PolarHBondContact O-N 3.21Å; V553-L556 WeakPolarHBondContact O-CB 3.35Å; V553-L556 PolarHBondContact O-N 3.09Å; L556-Q558 VanDerWaalsContact C-N 3.32Å; L556-Q558 PolarHBondContact O-N 3.44Å; L556-L559 PolarHBondContact O-N 3.34Å; L556-H560 VanDerWaalsContact O-CB 3.32Å; L556-H560 WeakPolarHBondContact O-CB 3.18Å; L556-H560 PolarHBondContact O-N 3.48Å; L556-F586 HydrophobicContact CB-CE1 3.83Å; L556-F586 HydrophobicContact CB-CZ 4.33Å; L556-F586 HydrophobicContact CD2-CE1 3.55Å; L556-F586 HydrophobicContact CD2-CE2 4.23Å; L556-F586 HydrophobicContact CD2-CZ 3.36Å; L556-F586 HydrophobicContact CG-CE1 4.26Å; L556-F586 HydrophobicContact CG-CZ 4.44Å; L556-F586 WeakPolarHBondContact O-CE1 3.29Å; L556-L593 HydrophobicContact CD1-CD1 4.49Å
557	D	75.9	Confident	77.2	Confident	47 Å²	47	54.4 Å²	54.4	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-37.3	178.5	-72.5	-30.4	0	0	0	112	V553 R554 N561 R590	V553-D557 PolarHBondContact O-N 3.36Å; R554-D557 PolarHBondContact O-N 3.39Å; D557-N561 WeakPolarHBondContact O-CB 3.46Å; D557-N561 PolarHBondContact O-N 2.85Å; D557-N561 PolarHBondContact O-ND2 3.44Å; D557-R590 IonicContact OD1-CZ 3.84Å; D557-R590 IonicContact OD1-NE 2.86Å; D557-R590 IonicContact OD1-NH2 3.97Å; D557-R590 PolarHBondContact OD1-NH2 3.4Å
558	Q	78.6	Confident	77.5	Confident	130 Å²	130	55.6 Å²	55.6	61%	0.607	27%	0.273	S	S	*	.	H	α-helix	trans	-62.6	-51.9	172.9	-78.9	174.9	-7.8	0	0	111.5	R554 L555 L556 H560 N561 S562	R554-Q558 WeakPolarHBondContact O-CB 3.46Å; R554-Q558 VanDerWaalsContact O-CG 3.26Å; R554-Q558 WeakPolarHBondContact O-CG 3.35Å; R554-Q558 PolarHBondContact O-N 2.82Å; L555-Q558 PolarHBondContact O-N 2.96Å; L556-Q558 VanDerWaalsContact C-N 3.32Å; L556-Q558 PolarHBondContact O-N 3.44Å; Q558-H560 VanDerWaalsContact C-N 3.34Å; Q558-H560 PolarHBondContact O-N 2.88Å; Q558-N561 PolarHBondContact O-N 2.98Å; Q558-S562 WeakPolarHBondContact O-CB 3.3Å; Q558-S562 PolarHBondContact O-N 2.92Å; Q558-S562 PolarHBondContact O-OG 2.59Å
559	L	78.1	Confident	77.9	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.037	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-38.8	179.4	179.2	55.4	0	0	0	112	F500 C504 Y507 I516 L555 L556 S562 L563 F586	F500-L559 HydrophobicContact CZ-CD2 4.45Å; C504-L559 HydrophobicContact CB-CD2 4.35Å; C504-L559 VanDerWaalsContact SG-CD2 3.52Å; Y507-L559 HydrophobicContact CD1-CD1 4.22Å; Y507-L559 HydrophobicContact CD2-CD1 3.59Å; Y507-L559 HydrophobicContact CE2-CD1 4.27Å; Y507-L559 HydrophobicContact CG-CD1 3.56Å; I516-L559 HydrophobicContact CD1-CD2 4.37Å; I516-L559 HydrophobicContact CG2-CD2 3.9Å; L555-L559 PolarHBondContact O-N 3.05Å; L556-L559 PolarHBondContact O-N 3.34Å; L559-S562 PolarHBondContact O-N 3.25Å; L559-L563 HydrophobicContact CD1-CD1 3.89Å; L559-L563 HydrophobicContact CD1-CG 4Å; L559-L563 HydrophobicContact CG-CD1 3.88Å; L559-L563 HydrophobicContact CG-CG 4.46Å; L559-L563 WeakPolarHBondContact O-CB 3.16Å; L559-L563 VanDerWaalsContact O-CG 3.31Å; L559-L563 WeakPolarHBondContact O-CG 3.38Å; L559-L563 PolarHBondContact O-N 2.81Å; L559-F586 HydrophobicContact CB-CZ 3.96Å; L559-F586 HydrophobicContact CD2-CE2 3.46Å; L559-F586 VanDerWaalsContact CD2-CE2 3.46Å; L559-F586 HydrophobicContact CD2-CZ 3.55Å; L559-F586 HydrophobicContact CG-CE2 4.09Å; L559-F586 HydrophobicContact CG-CZ 3.87Å
560	H	74.3	Confident	78.1	Confident	21 Å²	21	55.7 Å²	55.7	10%	0.097	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-47.8	173.1	171.4	-85.4	0	0	0	111.9	L556 Q558 L563 R564	L556-H560 VanDerWaalsContact O-CB 3.32Å; L556-H560 WeakPolarHBondContact O-CB 3.18Å; L556-H560 PolarHBondContact O-N 3.48Å; Q558-H560 VanDerWaalsContact C-N 3.34Å; Q558-H560 PolarHBondContact O-N 2.88Å; H560-L563 PolarHBondContact O-N 2.67Å; H560-R564 WeakPolarHBondContact O-CB 3.33Å; H560-R564 PolarHBondContact O-N 3.33Å
561	N	79	Confident	78.2	Confident	83 Å²	83	53.8 Å²	53.8	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-68.1	-36.8	-179.4	-71	-18	0	0	0	112.3	D557 Q558 R564 I565	D557-N561 WeakPolarHBondContact O-CB 3.46Å; D557-N561 PolarHBondContact O-N 2.85Å; D557-N561 PolarHBondContact O-ND2 3.44Å; Q558-N561 PolarHBondContact O-N 2.98Å; N561-R564 WeakPolarHBondContact O-CB 3.23Å; N561-R564 PolarHBondContact O-N 2.91Å; N561-I565 WeakPolarHBondContact O-CD1 3.46Å; N561-I565 WeakPolarHBondContact O-CG1 3.16Å; N561-I565 PolarHBondContact O-N 2.88Å; N561-I565 VanDerWaalsContact O-N 3.14Å
562	S	78.8	Confident	77.8	Confident	41 Å²	41	53.2 Å²	53.2	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-57.8	-58.3	169.9	-80.2	0	0	0	0	111.6	Y507 Q558 L559 R564 I565 D566	Y507-S562 WeakPolarHBondContact OH-CB 3.31Å; Q558-S562 WeakPolarHBondContact O-CB 3.3Å; Q558-S562 PolarHBondContact O-N 2.92Å; Q558-S562 PolarHBondContact O-OG 2.59Å; L559-S562 PolarHBondContact O-N 3.25Å; S562-R564 PolarHBondContact O-N 3.23Å; S562-R564 VanDerWaalsContact O-N 3.17Å; S562-I565 WeakPolarHBondContact O-CA 3.38Å; S562-I565 WeakPolarHBondContact O-CB 3.4Å; S562-I565 PolarHBondContact O-N 3.46Å; S562-D566 PolarHBondContact O-N 3.03Å; S562-D566 VanDerWaalsContact O-N 3.1Å
563	L	75.6	Confident	76.6	Confident	18 Å²	18	54.8 Å²	54.8	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-56.8	-35.3	178.5	-71	165.6	0	0	0	112.8	Y507 L559 H560 D566 I567 L583	Y507-L563 HydrophobicContact CD2-CD2 3.73Å; Y507-L563 HydrophobicContact CD2-CG 4.11Å; Y507-L563 HydrophobicContact CE2-CD2 4.06Å; Y507-L563 HydrophobicContact CE2-CG 4.27Å; L559-L563 HydrophobicContact CD1-CD1 3.89Å; L559-L563 HydrophobicContact CD1-CG 4Å; L559-L563 HydrophobicContact CG-CD1 3.88Å; L559-L563 HydrophobicContact CG-CG 4.46Å; L559-L563 WeakPolarHBondContact O-CB 3.16Å; L559-L563 VanDerWaalsContact O-CG 3.31Å; L559-L563 WeakPolarHBondContact O-CG 3.38Å; L559-L563 PolarHBondContact O-N 2.81Å; H560-L563 PolarHBondContact O-N 2.67Å; L563-D566 PolarHBondContact O-N 2.97Å; L563-I567 WeakPolarHBondContact O-CB 3.46Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.44Å; L563-I567 PolarHBondContact O-N 3.3Å; L563-L583 HydrophobicContact CB-CD1 3.73Å; L563-L583 HydrophobicContact CD1-CD1 3.86Å; L563-L583 HydrophobicContact CG-CD1 4.29Å
564	R	76.9	Confident	75.1	Confident	112 Å²	112	63.3 Å²	63.3	42%	0.423	32%	0.316	S	S	.	.	H	α-helix	trans	-61.2	-42.8	173.9	-166.7	-167	-177.3	-171.7	4	112	H560 N561 S562 S568 V604 E607 C608	H560-R564 WeakPolarHBondContact O-CB 3.33Å; H560-R564 PolarHBondContact O-N 3.33Å; N561-R564 WeakPolarHBondContact O-CB 3.23Å; N561-R564 PolarHBondContact O-N 2.91Å; S562-R564 PolarHBondContact O-N 3.23Å; S562-R564 VanDerWaalsContact O-N 3.17Å; R564-S568 WeakPolarHBondContact O-CB 3.31Å; R564-S568 PolarHBondContact O-N 3.36Å; R564-V604 HydrophobicContact CG-CG1 4.38Å; R564-E607 IonicContact NH2-OE2 2.67Å; R564-E607 PolarHBondContact NH2-OE2 3.49Å; R564-C608 WeakPolarHBondContact CG-SG 3.36Å
565	I	78.4	Confident	73.6	Confident	101 Å²	101	58.7 Å²	58.7	52%	0.518	31%	0.306	S	S	.	.	H	α-helix	trans	-65.2	-47.4	178.1	-68.7	161.8	0	0	0	110	N561 S562 I567 S568	N561-I565 WeakPolarHBondContact O-CD1 3.46Å; N561-I565 WeakPolarHBondContact O-CG1 3.16Å; N561-I565 PolarHBondContact O-N 2.88Å; N561-I565 VanDerWaalsContact O-N 3.14Å; S562-I565 WeakPolarHBondContact O-CA 3.38Å; S562-I565 WeakPolarHBondContact O-CB 3.4Å; S562-I565 PolarHBondContact O-N 3.46Å; I565-I567 PolarHBondContact O-N 2.96Å; I565-S568 WeakPolarHBondContact O-CB 3.5Å; I565-S568 PolarHBondContact O-N 2.97Å; I565-S568 VanDerWaalsContact O-N 3.14Å; I565-S568 PolarHBondContact O-OG 3.44Å
566	D	74.5	Confident	72	Confident	53 Å²	53	58.9 Å²	58.9	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-41.4	-177.9	-58.3	-59.8	0	0	0	112.5	Y507 M508 S562 L563 S568 M569 Y570	Y507-D566 WeakPolarHBondContact CE2-OD2 3.43Å; Y507-D566 PolarHBondContact OH-OD2 3.1Å; Y507-D566 VanDerWaalsContact OH-OD2 3.1Å; M508-D566 HydrophobicContact CE-CB 3.95Å; M508-D566 VanDerWaalsContact CE-CG 3.4Å; M508-D566 WeakPolarHBondContact CE-OD2 3.38Å; S562-D566 PolarHBondContact O-N 3.03Å; S562-D566 VanDerWaalsContact O-N 3.1Å; L563-D566 PolarHBondContact O-N 2.97Å; D566-S568 PolarHBondContact O-N 3.31Å; D566-M569 CarbonylContact O-C 3.56Å; D566-M569 WeakPolarHBondContact O-CA 3.46Å; D566-M569 PolarHBondContact O-N 3.47Å; D566-Y570 PolarHBondContact O-N 2.92Å
567	I	77.7	Confident	70.6	Confident	18 Å²	18	59.3 Å²	59.3	9%	0.092	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-29.5	175.1	-62.6	169.4	0	0	0	110.8	L563 I565 M569 Y570 L583 C608	L563-I567 WeakPolarHBondContact O-CB 3.46Å; L563-I567 VanDerWaalsContact O-CG1 3.23Å; L563-I567 WeakPolarHBondContact O-CG1 3.44Å; L563-I567 PolarHBondContact O-N 3.3Å; I565-I567 PolarHBondContact O-N 2.96Å; I567-M569 PolarHBondContact O-N 3.23Å; I567-M569 VanDerWaalsContact O-N 3.1Å; I567-Y570 WeakPolarHBondContact O-CD1 3.43Å; I567-Y570 PolarHBondContact O-N 3.38Å; I567-L583 HydrophobicContact CD1-CD1 3.84Å; I567-L583 HydrophobicContact CD1-CD2 3.6Å; I567-L583 HydrophobicContact CD1-CG 4.27Å; I567-C608 HydrophobicContact CB-CB 4.02Å; I567-C608 HydrophobicContact CG2-CB 3.57Å
568	S	81.8	Confident	69.2	Low	36 Å²	36	59.5 Å²	59.5	25%	0.252	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.8	171.9	79.8	0	0	0	0	114.1	R564 I565 D566 C608 C612	R564-S568 WeakPolarHBondContact O-CB 3.31Å; R564-S568 PolarHBondContact O-N 3.36Å; I565-S568 WeakPolarHBondContact O-CB 3.5Å; I565-S568 PolarHBondContact O-N 2.97Å; I565-S568 VanDerWaalsContact O-N 3.14Å; I565-S568 PolarHBondContact O-OG 3.44Å; D566-S568 PolarHBondContact O-N 3.31Å; S568-C608 WeakPolarHBondContact CA-O 3.28Å; S568-C612 VanDerWaalsContact O-CA 3.28Å; S568-C612 WeakPolarHBondContact O-CA 3.16Å; S568-C612 WeakPolarHBondContact O-CB 3.48Å; S568-C612 PolarHBondContact O-N 2.71Å
569	M	80.1	Confident	67.9	Low	66 Å²	66	55.4 Å²	55.4	33%	0.325	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	28.9	174.1	-62.9	-167.3	69.4	0	0	113	D566 I567 R571 V572 G573	D566-M569 CarbonylContact O-C 3.56Å; D566-M569 WeakPolarHBondContact O-CA 3.46Å; D566-M569 PolarHBondContact O-N 3.47Å; I567-M569 PolarHBondContact O-N 3.23Å; I567-M569 VanDerWaalsContact O-N 3.1Å; M569-R571 PolarHBondContact O-N 3.3Å; M569-V572 HydrophobicContact CE-CB 4.02Å; M569-V572 HydrophobicContact CE-CG1 4.09Å; M569-V572 HydrophobicContact CE-CG2 3.92Å; M569-V572 PolarHBondContact O-N 3.49Å; M569-G573 PolarHBondContact O-N 2.84Å
570	Y	79.1	Confident	66.7	Low	22 Å²	22	56.3 Å²	56.3	9%	0.086	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.6	-170.3	72.9	-97.4	0	0	0	115.6	D566 I567 A609 C612 D654 Y658	D566-Y570 PolarHBondContact O-N 2.92Å; I567-Y570 WeakPolarHBondContact O-CD1 3.43Å; I567-Y570 PolarHBondContact O-N 3.38Å; Y570-A609 HydrophobicContact CE1-CB 4.09Å; Y570-C612 HydrophobicContact CD1-CB 3.55Å; Y570-C612 VanDerWaalsContact CD1-SG 3.6Å; Y570-C612 HydrophobicContact CE1-CB 3.46Å; Y570-C612 VanDerWaalsContact CE1-CB 3.46Å; Y570-D654 VanDerWaalsContact OH-CG 3.3Å; Y570-D654 PolarHBondContact OH-OD1 3.5Å; Y570-D654 PolarHBondContact OH-OD2 2.8Å; Y570-Y658 AromaticContact CD2-CD1 3.43Å; Y570-Y658 HydrophobicContact CD2-CD1 3.43Å; Y570-Y658 VanDerWaalsContact CD2-CD1 3.43Å; Y570-Y658 HydrophobicContact CD2-CD2 4.41Å; Y570-Y658 AromaticContact CD2-CE1 3.52Å; Y570-Y658 HydrophobicContact CD2-CE1 3.52Å; Y570-Y658 HydrophobicContact CD2-CE2 4.48Å; Y570-Y658 AromaticContact CD2-CG 3.92Å; Y570-Y658 HydrophobicContact CD2-CG 3.92Å; Y570-Y658 AromaticContact CE2-CD1 3.56Å; Y570-Y658 HydrophobicContact CE2-CD1 3.56Å; Y570-Y658 AromaticContact CE2-CD2 3.73Å; Y570-Y658 HydrophobicContact CE2-CD2 3.73Å; Y570-Y658 AromaticContact CE2-CE1 3.81Å; Y570-Y658 HydrophobicContact CE2-CE1 3.81Å; Y570-Y658 AromaticContact CE2-CE2 3.96Å; Y570-Y658 HydrophobicContact CE2-CE2 3.96Å; Y570-Y658 AromaticContact CE2-CG 3.52Å; Y570-Y658 HydrophobicContact CE2-CG 3.52Å
571	R	79	Confident	65.6	Low	38 Å²	38	62.2 Å²	62.2	14%	0.143	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-24.4	177.2	-64.7	175	154.8	-84.7	5.3	114.7	M569 T616 V650 E653 D654 Y658	M569-R571 PolarHBondContact O-N 3.3Å; R571-T616 WeakPolarHBondContact CD-OG1 3.36Å; R571-V650 PolarHBondContact NH2-O 3.46Å; R571-E653 IonicContact CZ-OE2 3.82Å; R571-E653 IonicContact NH1-OE1 2.67Å; R571-E653 PolarHBondContact NH1-OE1 3.47Å; R571-E653 IonicContact NH1-OE2 2.65Å; R571-E653 PolarHBondContact NH1-OE2 2.94Å; R571-E653 IonicContact NH2-OE2 3.1Å; R571-D654 IonicContact CZ-OD1 3.04Å; R571-D654 IonicContact CZ-OD2 3.87Å; R571-D654 IonicContact NE-OD1 2.74Å; R571-D654 IonicContact NE-OD2 2.72Å; R571-D654 IonicContact NH2-OD1 2.95Å; R571-D654 PolarHBondContact NH2-OD1 3.46Å; R571-D654 IonicContact NH2-OD2 2.75Å; R571-D654 PolarHBondContact NH2-OD2 3.44Å; R571-Y658 HydrophobicContact CG-CE2 4.27Å
572	V	68.8	Low	64.2	Low	93 Å²	93	58.6 Å²	58.6	56%	0.564	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-22.7	-177.8	-177.1	0	0	0	0	111.2	M569 Q574	M569-V572 HydrophobicContact CE-CB 4.02Å; M569-V572 HydrophobicContact CE-CG1 4.09Å; M569-V572 HydrophobicContact CE-CG2 3.92Å; M569-V572 PolarHBondContact O-N 3.49Å; V572-Q574 PolarHBondContact O-N 3.14Å
573	G	55.7	Low	63	Low	33 Å²	33	57.3 Å²	57.3	34%	0.34	31%	0.306	S	S	.	.			trans	-76.6	114.9	172.5	0	0	0	0	0	111.8	M569 T575 A576	M569-G573 PolarHBondContact O-N 2.84Å; G573-T575 PolarHBondContact O-N 3.06Å; G573-A576 PolarHBondContact O-N 2.63Å
574	Q	48.9	Very low	61.9	Low	204 Å²	204	58.4 Å²	58.4	95%	0.953	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	3.5	175.1	-69.6	-174.8	-33.7	0	0	114.6	V572	V572-Q574 PolarHBondContact O-N 3.14Å
575	T	47.9	Very low	60.8	Low	67 Å²	67	55.9 Å²	55.9	41%	0.411	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	18.9	-172.7	49.7	0	0	0	0	113.5	G573 G577 S578 Q579	G573-T575 PolarHBondContact O-N 3.06Å; T575-G577 PolarHBondContact O-N 3.5Å; T575-S578 PolarHBondContact O-N 2.97Å; T575-Q579 VanDerWaalsContact OG1-CD 3.27Å; T575-Q579 PolarHBondContact OG1-NE2 2.91Å
576	A	44.6	Very low	59.7	Low	30 Å²	30	51.8 Å²	51.8	25%	0.248	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-30.2	-172.6	0	0	0	0	0	116.2	G573 Y658	G573-A576 PolarHBondContact O-N 2.63Å; A576-Y658 HydrophobicContact CB-CD1 4.31Å; A576-Y658 HydrophobicContact CB-CE1 3.7Å
577	G	48.2	Very low	58.6	Low	26 Å²	26	50 Å²	50	27%	0.268	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.6	178.9	0	0	0	0	0	116.4	T575	T575-G577 PolarHBondContact O-N 3.5Å
578	S	47.8	Very low	57.4	Low	51 Å²	51	54 Å²	54	36%	0.357	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-15.5	-169.9	-71.2	0	0	0	0	116.1	T575	T575-S578 PolarHBondContact O-N 2.97Å
579	Q	51.4	Low	56	Low	44 Å²	44	52.4 Å²	52.4	21%	0.206	29%	0.287	C	S	.	.	S	Bend	trans	-95.4	-8.6	-166.7	-69.1	-171.1	-17.7	0	0	115.9	M508 T575	M508-Q579 PolarHBondContact O-NE2 2.63Å; M508-Q579 PolarHBondContact SD-NE2 2.86Å; M508-Q579 VanDerWaalsContact SD-NE2 3.38Å; T575-Q579 VanDerWaalsContact OG1-CD 3.27Å; T575-Q579 PolarHBondContact OG1-NE2 2.91Å
580	V	52.4	Low	54.9	Low	25 Å²	25	52.4 Å²	52.4	15%	0.152	28%	0.284	C	S	.	.			trans	-100.5	2.6	-167.8	-158.5	0	0	0	0	115.2	G582 L662	V580-G582 PolarHBondContact O-N 3.26Å; V580-L662 HydrophobicContact CB-CD2 3.95Å; V580-L662 HydrophobicContact CG1-CD2 3.44Å; V580-L662 VanDerWaalsContact CG1-CD2 3.44Å; V580-L662 HydrophobicContact CG2-CD2 3.86Å
581	Y	50.7	Low	53.4	Low	145 Å²	145	55.2 Å²	55.2	57%	0.569	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.3	179	-65.9	-77.7	0	0	0	115.1
582	G	51.1	Low	52.1	Low	7 Å²	7	55 Å²	55	7%	0.072	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-21.2	-177.2	0	0	0	0	0	116.3	V580	V580-G582 PolarHBondContact O-N 3.26Å
583	L	53.3	Low	51.4	Low	14 Å²	14	50.9 Å²	50.9	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-72.8	-40.9	-166	-138.5	80.3	0	0	0	115.8	L563 I567 L585 F586 V605	L563-L583 HydrophobicContact CB-CD1 3.73Å; L563-L583 HydrophobicContact CD1-CD1 3.86Å; L563-L583 HydrophobicContact CG-CD1 4.29Å; I567-L583 HydrophobicContact CD1-CD1 3.84Å; I567-L583 HydrophobicContact CD1-CD2 3.6Å; I567-L583 HydrophobicContact CD1-CG 4.27Å; L583-L585 VanDerWaalsContact C-N 3.26Å; L583-L585 PolarHBondContact O-N 3.3Å; L583-F586 PolarHBondContact O-N 3.1Å; L583-V605 HydrophobicContact CD2-CG2 3.37Å
584	P	52.4	Low	51.3	Low	41 Å²	41	55.9 Å²	55.9	27%	0.266	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-31.8	-178.3	-22.9	33.1	0	0	0	113.6	Q664 F665	P584-Q664 HydrophobicContact CG-CB 3.88Å; P584-Q664 HydrophobicContact CG-CG 3.84Å; P584-F665 HydrophobicContact CB-CZ 4.03Å; P584-F665 HydrophobicContact CG-CZ 4.1Å
585	L	53.1	Low	51.4	Low	60 Å²	60	50.1 Å²	50.1	31%	0.314	27%	0.273	S	S	.	.	H	α-helix	trans	-80.3	-29.7	-176.9	-130.7	76.9	0	0	0	113.2	S517 A521 L583 L587 L588	S517-L585 VanDerWaalsContact O-CD2 3.3Å; S517-L585 WeakPolarHBondContact O-CD2 3.4Å; S517-L585 WeakPolarHBondContact OG-CB 3.19Å; A521-L585 HydrophobicContact CB-CD2 3.5Å; A521-L585 VanDerWaalsContact CB-CD2 3.5Å; L583-L585 VanDerWaalsContact C-N 3.26Å; L583-L585 PolarHBondContact O-N 3.3Å; L585-L587 PolarHBondContact O-N 3.47Å; L585-L588 HydrophobicContact CD1-CD1 3.96Å; L585-L588 HydrophobicContact CG-CD1 4.4Å; L585-L588 PolarHBondContact O-N 3.05Å
586	F	56.1	Low	51.4	Low	14 Å²	14	52.6 Å²	52.6	6%	0.061	29%	0.293	C	S	.	.	H	α-helix	trans	-63.6	-27.1	-177.7	-133.7	-91.5	0	0	0	113.2	F500 I516 L520 L556 L559 L583	F500-F586 HydrophobicContact CE2-CE2 4.34Å; F500-F586 AromaticContact CZ-CE2 3.92Å; F500-F586 HydrophobicContact CZ-CE2 3.92Å; F500-F586 AromaticContact CZ-CZ 3.95Å; F500-F586 HydrophobicContact CZ-CZ 3.95Å; I516-F586 HydrophobicContact CG2-CE2 4.28Å; L520-F586 HydrophobicContact CD2-CD2 3.41Å; L520-F586 VanDerWaalsContact CD2-CD2 3.41Å; L520-F586 HydrophobicContact CD2-CE2 3.47Å; L520-F586 VanDerWaalsContact CD2-CE2 3.47Å; L520-F586 HydrophobicContact CD2-CG 4.01Å; L520-F586 HydrophobicContact CD2-CZ 4.12Å; L556-F586 HydrophobicContact CB-CE1 3.83Å; L556-F586 HydrophobicContact CB-CZ 4.33Å; L556-F586 HydrophobicContact CD2-CE1 3.55Å; L556-F586 HydrophobicContact CD2-CE2 4.23Å; L556-F586 HydrophobicContact CD2-CZ 3.36Å; L556-F586 HydrophobicContact CG-CE1 4.26Å; L556-F586 HydrophobicContact CG-CZ 4.44Å; L556-F586 WeakPolarHBondContact O-CE1 3.29Å; L559-F586 HydrophobicContact CB-CZ 3.96Å; L559-F586 HydrophobicContact CD2-CE2 3.46Å; L559-F586 VanDerWaalsContact CD2-CE2 3.46Å; L559-F586 HydrophobicContact CD2-CZ 3.55Å; L559-F586 HydrophobicContact CG-CE2 4.09Å; L559-F586 HydrophobicContact CG-CZ 3.87Å; L583-F586 PolarHBondContact O-N 3.1Å
587	L	51.7	Low	51.7	Low	15 Å²	15	56.7 Å²	56.7	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-91.3	-19.7	-179.6	-72.9	163.6	0	0	0	113.6	L585 F589 R590 P599 A601	L585-L587 PolarHBondContact O-N 3.47Å; L587-F589 VanDerWaalsContact C-N 3.29Å; L587-F589 PolarHBondContact O-N 3.36Å; L587-R590 PolarHBondContact O-N 2.79Å; L587-P599 HydrophobicContact CD2-CG 4.45Å; L587-P599 WeakPolarHBondContact CD2-O 3.34Å; L587-A601 HydrophobicContact CB-CB 4.44Å; L587-A601 HydrophobicContact CD1-CB 3.42Å; L587-A601 VanDerWaalsContact CD1-CB 3.42Å
588	L	51.4	Low	52.2	Low	102 Å²	102	57.2 Å²	57.2	53%	0.534	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-36.7	167.3	-77.9	165.2	0	0	0	111.7	L585 C591	L585-L588 HydrophobicContact CD1-CD1 3.96Å; L585-L588 HydrophobicContact CG-CD1 4.4Å; L585-L588 PolarHBondContact O-N 3.05Å; L588-C591 WeakPolarHBondContact O-CB 3.48Å; L588-C591 PolarHBondContact O-N 2.95Å
589	F	51.4	Low	52.9	Low	3 Å²	3	57.4 Å²	57.4	1%	0.013	32%	0.319	C	S	.	.	H	α-helix	trans	-69.4	-36.8	179.8	-144.9	-61	0	0	0	112.5	L520 I523 N524 L587 C591 V592 L593	L520-F589 HydrophobicContact CD1-CD2 3.42Å; L520-F589 VanDerWaalsContact CD1-CD2 3.42Å; L520-F589 HydrophobicContact CD1-CE2 3.49Å; L520-F589 VanDerWaalsContact CD1-CE2 3.49Å; L520-F589 HydrophobicContact CD1-CG 4.27Å; L520-F589 HydrophobicContact CD1-CZ 4.46Å; L520-F589 HydrophobicContact CD2-CD2 4.39Å; L520-F589 HydrophobicContact CG-CD2 3.63Å; L520-F589 HydrophobicContact CG-CE2 4.08Å; L520-F589 WeakPolarHBondContact O-CE2 3.45Å; I523-F589 HydrophobicContact CB-CE2 4.24Å; I523-F589 HydrophobicContact CG2-CE2 4.05Å; I523-F589 HydrophobicContact CG2-CZ 3.93Å; N524-F589 HydrophobicContact CB-CD2 3.45Å; N524-F589 VanDerWaalsContact CB-CD2 3.45Å; N524-F589 HydrophobicContact CB-CE2 3.32Å; N524-F589 HydrophobicContact CB-CG 4.31Å; N524-F589 HydrophobicContact CB-CZ 4.01Å; L587-F589 VanDerWaalsContact C-N 3.29Å; L587-F589 PolarHBondContact O-N 3.36Å; F589-C591 PolarHBondContact O-N 2.69Å; F589-V592 PolarHBondContact O-N 3.12Å; F589-L593 HydrophobicContact CD1-CD1 4.12Å; F589-L593 HydrophobicContact CD1-CG 4.24Å; F589-L593 HydrophobicContact CE1-CD1 4.42Å; F589-L593 HydrophobicContact CE1-CG 4.38Å; F589-L593 PolarHBondContact O-N 2.89Å
590	R	57.8	Low	53.8	Low	67 Å²	67	62.8 Å²	62.8	25%	0.253	34%	0.337	S	S	.	.	H	α-helix	trans	-64	-23.2	-179.7	-139.3	171.7	-168.1	-162.2	3	112.1	D557 L587 P598	D557-R590 IonicContact OD1-CZ 3.84Å; D557-R590 IonicContact OD1-NE 2.86Å; D557-R590 IonicContact OD1-NH2 3.97Å; D557-R590 PolarHBondContact OD1-NH2 3.4Å; L587-R590 PolarHBondContact O-N 2.79Å; R590-P598 HydrophobicContact CB-CB 3.77Å; R590-P598 HydrophobicContact CB-CG 4.3Å; R590-P598 HydrophobicContact CG-CB 3.97Å
591	C	47.5	Very low	54.8	Low	80 Å²	80	62.1 Å²	62.1	54%	0.541	33%	0.334	S	S	.	.	H	α-helix	trans	-73.6	-32.2	169.8	-62.7	0	0	0	0	114	L588 F589 L593	L588-C591 WeakPolarHBondContact O-CB 3.48Å; L588-C591 PolarHBondContact O-N 2.95Å; F589-C591 PolarHBondContact O-N 2.69Å; C591-L593 VanDerWaalsContact C-N 3.3Å; C591-L593 PolarHBondContact O-N 3.35Å
592	V	52.5	Low	56.1	Low	35 Å²	35	55.2 Å²	55.2	21%	0.212	31%	0.307	C	S	.	.	H	α-helix	trans	-75.6	-20.6	-178	176.3	0	0	0	0	112.4	N524 A528 A538 F589 E594	N524-V592 WeakPolarHBondContact OD1-CG2 3.48Å; A528-V592 HydrophobicContact CB-CG1 4.2Å; A538-V592 HydrophobicContact CB-CG1 3.87Å; F589-V592 PolarHBondContact O-N 3.12Å; V592-E594 VanDerWaalsContact C-N 3.3Å; V592-E594 PolarHBondContact O-N 3.21Å
593	L	53.5	Low	57.7	Low	6 Å²	6	57.7 Å²	57.7	3%	0.031	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	4.2	179	-69	170.4	0	0	0	114.4	S539 F542 V553 L556 F589 C591 L595	S539-L593 PolarHBondContact OG-O 3.4Å; F542-L593 HydrophobicContact CB-CD2 4.04Å; F542-L593 HydrophobicContact CD1-CD2 3.28Å; F542-L593 HydrophobicContact CD2-CD2 4.48Å; F542-L593 HydrophobicContact CE1-CD2 3.81Å; F542-L593 HydrophobicContact CG-CD2 3.67Å; V553-L593 HydrophobicContact CG2-CD1 4.07Å; L556-L593 HydrophobicContact CD1-CD1 4.49Å; F589-L593 HydrophobicContact CD1-CD1 4.12Å; F589-L593 HydrophobicContact CD1-CG 4.24Å; F589-L593 HydrophobicContact CE1-CD1 4.42Å; F589-L593 HydrophobicContact CE1-CG 4.38Å; F589-L593 PolarHBondContact O-N 2.89Å; C591-L593 VanDerWaalsContact C-N 3.3Å; C591-L593 PolarHBondContact O-N 3.35Å; L593-L595 HydrophobicContact CB-CD1 4.1Å; L593-L595 HydrophobicContact CB-CG 4.33Å; L593-L595 PolarHBondContact O-N 2.92Å; L593-L595 VanDerWaalsContact O-N 3.07Å
594	E	53.7	Low	59	Low	137 Å²	137	57.4 Å²	57.4	64%	0.64	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	24.2	-177.7	-64.8	179	176.9	0	0	114.1	V592	V592-E594 VanDerWaalsContact C-N 3.3Å; V592-E594 PolarHBondContact O-N 3.21Å
595	L	51.9	Low	60.4	Low	83 Å²	83	55.6 Å²	55.6	44%	0.435	31%	0.308	S	S	.	.			trans	-73.6	129	172.1	-74.8	163.1	0	0	0	109	L593 S597	L593-L595 HydrophobicContact CB-CD1 4.1Å; L593-L595 HydrophobicContact CB-CG 4.33Å; L593-L595 PolarHBondContact O-N 2.92Å; L593-L595 VanDerWaalsContact O-N 3.07Å; L595-S597 PolarHBondContact O-N 3.28Å; L595-S597 VanDerWaalsContact O-N 3.13Å
596	S	47.5	Very low	62.1	Low	119 Å²	119	57.3 Å²	57.3	83%	0.832	31%	0.31	S	S	*	.	S	Bend	trans	-58.2	113.5	-172.7	26.6	0	0	0	0	112.8
597	S	51.2	Low	63.6	Low	116 Å²	116	61.2 Å²	61.2	81%	0.811	33%	0.329	S	S	*	.			trans	49.5	74.7	171.1	-60.8	0	0	0	0	115.3	L595	L595-S597 PolarHBondContact O-N 3.28Å; L595-S597 VanDerWaalsContact O-N 3.13Å
598	P	57.2	Low	65.3	Low	38 Å²	38	60.7 Å²	60.7	25%	0.247	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-61.2	144.8	173	27.4	-34.6	0	0	0	111.4	R590 R600	R590-P598 HydrophobicContact CB-CB 3.77Å; R590-P598 HydrophobicContact CB-CG 4.3Å; R590-P598 HydrophobicContact CG-CB 3.97Å; P598-R600 PolarHBondContact O-N 2.92Å
599	P	63.7	Low	67.1	Low	55 Å²	55	55.8 Å²	55.8	36%	0.357	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-64.9	130	-178.6	28.2	-35.3	0	0	0	110.4	L587 A601 V604	L587-P599 HydrophobicContact CD2-CG 4.45Å; L587-P599 WeakPolarHBondContact CD2-O 3.34Å; P599-A601 PolarHBondContact O-N 2.75Å; P599-V604 HydrophobicContact CB-CG2 3.75Å; P599-V604 HydrophobicContact CG-CG2 4Å
600	R	70.1	Confident	69.1	Low	157 Å²	157	57.1 Å²	57.1	59%	0.592	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-60.3	134.1	-177.9	-167	-178.4	-176.9	144.8	-1.4	110.3	P598 S602 T603 V604 E668	P598-R600 PolarHBondContact O-N 2.92Å; R600-S602 WeakPolarHBondContact CD-OG 3.07Å; R600-S602 WeakPolarHBondContact CG-OG 3.37Å; R600-S602 PolarHBondContact O-N 2.59Å; R600-T603 WeakPolarHBondContact O-CA 3.22Å; R600-T603 WeakPolarHBondContact O-CB 3.08Å; R600-T603 PolarHBondContact O-N 2.81Å; R600-V604 PolarHBondContact O-N 2.82Å; R600-V604 VanDerWaalsContact O-N 3.09Å; R600-E668 IonicContact CZ-OE1 2.69Å; R600-E668 IonicContact CZ-OE2 2.89Å; R600-E668 VanDerWaalsContact CZ-OE2 3.25Å; R600-E668 IonicContact NE-OE1 2.9Å; R600-E668 PolarHBondContact NE-OE1 2.95Å; R600-E668 IonicContact NE-OE2 3.27Å; R600-E668 PolarHBondContact NE-OE2 3.11Å; R600-E668 IonicContact NH2-OE1 2.62Å; R600-E668 PolarHBondContact NH2-OE1 2.87Å; R600-E668 IonicContact NH2-OE2 2.64Å; R600-E668 PolarHBondContact NH2-OE2 2.87Å
601	A	73	Confident	70.6	Confident	11 Å²	11	56.2 Å²	56.2	9%	0.091	32%	0.316	C	S	.	.	H	α-helix	trans	-56	-46.7	-173.2	0	0	0	0	0	113.4	L587 P599 T603 V604 V605 F665	L587-A601 HydrophobicContact CB-CB 4.44Å; L587-A601 HydrophobicContact CD1-CB 3.42Å; L587-A601 VanDerWaalsContact CD1-CB 3.42Å; P599-A601 PolarHBondContact O-N 2.75Å; A601-T603 VanDerWaalsContact C-N 3.26Å; A601-T603 PolarHBondContact O-N 2.71Å; A601-V604 PolarHBondContact O-N 3.36Å; A601-V605 WeakPolarHBondContact O-CG2 3.31Å; A601-V605 PolarHBondContact O-N 3.04Å; A601-F665 HydrophobicContact CB-CE1 3.85Å; A601-F665 HydrophobicContact CB-CE2 3.92Å; A601-F665 HydrophobicContact CB-CZ 3.3Å
602	S	77.8	Confident	72.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.7	-38	174.1	55.5	0	0	0	0	113	R600 R606 E668	R600-S602 WeakPolarHBondContact CD-OG 3.07Å; R600-S602 WeakPolarHBondContact CG-OG 3.37Å; R600-S602 PolarHBondContact O-N 2.59Å; S602-R606 WeakPolarHBondContact O-CB 3.37Å; S602-R606 PolarHBondContact O-N 3.42Å; S602-E668 WeakPolarHBondContact CB-OE2 3.49Å; S602-E668 PolarHBondContact OG-OE2 2.9Å
603	T	84	Confident	74.7	Confident	58 Å²	58	50.9 Å²	50.9	36%	0.356	28%	0.281	S	S	.	.	H	α-helix	trans	-68.8	-46.3	176.5	-52.5	0	0	0	0	111.5	R600 A601 V605 R606 E607	R600-T603 WeakPolarHBondContact O-CA 3.22Å; R600-T603 WeakPolarHBondContact O-CB 3.08Å; R600-T603 PolarHBondContact O-N 2.81Å; A601-T603 VanDerWaalsContact C-N 3.26Å; A601-T603 PolarHBondContact O-N 2.71Å; T603-V605 PolarHBondContact O-N 3.44Å; T603-R606 WeakPolarHBondContact O-CB 3.45Å; T603-R606 PolarHBondContact O-N 2.87Å; T603-E607 WeakPolarHBondContact O-CG 3.21Å; T603-E607 PolarHBondContact O-N 3.21Å
604	V	80.9	Confident	76.6	Confident	8 Å²	8	54.8 Å²	54.8	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-45.6	178.2	-177.3	0	0	0	0	110.8	R564 P599 R600 A601 E607 C608	R564-V604 HydrophobicContact CG-CG1 4.38Å; P599-V604 HydrophobicContact CB-CG2 3.75Å; P599-V604 HydrophobicContact CG-CG2 4Å; R600-V604 PolarHBondContact O-N 2.82Å; R600-V604 VanDerWaalsContact O-N 3.09Å; A601-V604 PolarHBondContact O-N 3.36Å; V604-E607 PolarHBondContact O-N 2.97Å; V604-C608 PolarHBondContact O-N 2.96Å; V604-C608 PolarHBondContact O-SG 3.46Å
605	V	82.6	Confident	78.5	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.024	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-41.5	176.5	-176.7	0	0	0	0	110.9	L583 A601 T603 E607 C608 A609 F665 L669	L583-V605 HydrophobicContact CD2-CG2 3.37Å; A601-V605 WeakPolarHBondContact O-CG2 3.31Å; A601-V605 PolarHBondContact O-N 3.04Å; T603-V605 PolarHBondContact O-N 3.44Å; V605-E607 PolarHBondContact O-N 3.41Å; V605-C608 PolarHBondContact O-N 3.45Å; V605-A609 VanDerWaalsContact O-CB 3.31Å; V605-A609 WeakPolarHBondContact O-CB 3.48Å; V605-A609 PolarHBondContact O-N 2.97Å; V605-F665 HydrophobicContact CG2-CE2 4.42Å; V605-L669 HydrophobicContact CB-CD2 3.81Å; V605-L669 HydrophobicContact CG1-CD2 3.52Å
606	R	87.5	Confident	80.4	Confident	96 Å²	96	48.6 Å²	48.6	36%	0.362	28%	0.276	S	S	.	.	H	α-helix	trans	-58.2	-46.9	175.2	-171.9	-163.2	-53.3	-91.3	-3.5	111.6	S602 T603 A609 T610 E668 L669 L674	S602-R606 WeakPolarHBondContact O-CB 3.37Å; S602-R606 PolarHBondContact O-N 3.42Å; T603-R606 WeakPolarHBondContact O-CB 3.45Å; T603-R606 PolarHBondContact O-N 2.87Å; R606-A609 PolarHBondContact O-N 2.63Å; R606-T610 VanDerWaalsContact O-CB 3.29Å; R606-T610 WeakPolarHBondContact O-CB 3.32Å; R606-T610 PolarHBondContact O-N 2.93Å; R606-T610 PolarHBondContact O-OG1 3.4Å; R606-E668 PolarHBondContact NH1-O 3.32Å; R606-E668 PolarHBondContact NH2-O 3.28Å; R606-L669 HydrophobicContact CB-CD1 4Å; R606-L669 HydrophobicContact CG-CD1 4.12Å; R606-L674 HydrophobicContact CG-CD1 4Å; R606-L674 HydrophobicContact CG-CD2 3.95Å
607	E	88.3	Confident	82.6	Confident	95 Å²	95	43.1 Å²	43.1	44%	0.444	24%	0.237	S	C	.	.	H	α-helix	trans	-60.1	-46.3	177.1	-76.4	177	-160.1	0	0	111.8	R564 T603 V604 V605 T610 A611	R564-E607 IonicContact NH2-OE2 2.67Å; R564-E607 PolarHBondContact NH2-OE2 3.49Å; T603-E607 WeakPolarHBondContact O-CG 3.21Å; T603-E607 PolarHBondContact O-N 3.21Å; V604-E607 PolarHBondContact O-N 2.97Å; V605-E607 PolarHBondContact O-N 3.41Å; E607-T610 PolarHBondContact O-N 2.72Å; E607-A611 WeakPolarHBondContact O-CB 3.5Å; E607-A611 PolarHBondContact O-N 3.37Å
608	C	87.3	Confident	84.5	Confident	4 Å²	4	42.9 Å²	42.9	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-46.1	179.7	-60.8	0	0	0	0	111.6	R564 I567 S568 V604 V605 T610 A611 C612	R564-C608 WeakPolarHBondContact CG-SG 3.36Å; I567-C608 HydrophobicContact CB-CB 4.02Å; I567-C608 HydrophobicContact CG2-CB 3.57Å; S568-C608 WeakPolarHBondContact CA-O 3.28Å; V604-C608 PolarHBondContact O-N 2.96Å; V604-C608 PolarHBondContact O-SG 3.46Å; V605-C608 PolarHBondContact O-N 3.45Å; C608-T610 VanDerWaalsContact C-N 3.34Å; C608-T610 PolarHBondContact O-N 3.39Å; C608-A611 WeakPolarHBondContact O-CB 3.5Å; C608-A611 PolarHBondContact O-N 3.21Å; C608-C612 PolarHBondContact O-N 3.19Å
609	A	89.4	Confident	86	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.1	-43.7	176.1	0	0	0	0	0	111.1	Y570 V605 R606 A611 C612 I613 I671 L674	Y570-A609 HydrophobicContact CE1-CB 4.09Å; V605-A609 VanDerWaalsContact O-CB 3.31Å; V605-A609 WeakPolarHBondContact O-CB 3.48Å; V605-A609 PolarHBondContact O-N 2.97Å; R606-A609 PolarHBondContact O-N 2.63Å; A609-A611 VanDerWaalsContact C-N 3.33Å; A609-A611 PolarHBondContact O-N 3.06Å; A609-C612 PolarHBondContact O-N 3.08Å; A609-I613 VanDerWaalsContact O-CD1 3.32Å; A609-I613 WeakPolarHBondContact O-CD1 3.43Å; A609-I613 WeakPolarHBondContact O-CG1 3.39Å; A609-I613 PolarHBondContact O-N 2.98Å; A609-I671 HydrophobicContact CB-CD1 4.16Å; A609-L674 HydrophobicContact CB-CD2 3.75Å
610	T	93	Very high	87.3	Confident	31 Å²	31	44.4 Å²	44.4	19%	0.19	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-42.2	175.1	-54.1	0	0	0	0	111.7	R606 E607 C608 I613 K614 T678	R606-T610 VanDerWaalsContact O-CB 3.29Å; R606-T610 WeakPolarHBondContact O-CB 3.32Å; R606-T610 PolarHBondContact O-N 2.93Å; R606-T610 PolarHBondContact O-OG1 3.4Å; E607-T610 PolarHBondContact O-N 2.72Å; C608-T610 VanDerWaalsContact C-N 3.34Å; C608-T610 PolarHBondContact O-N 3.39Å; T610-I613 PolarHBondContact O-N 3.13Å; T610-K614 HydrophobicContact CG2-CD 4.41Å; T610-K614 WeakPolarHBondContact O-CB 3.19Å; T610-K614 WeakPolarHBondContact O-CG 3.28Å; T610-K614 PolarHBondContact O-N 2.94Å; T610-T678 HydrophobicContact CG2-CG2 3.97Å
611	A	90.6	Very high	88.2	Confident	47 Å²	47	39.5 Å²	39.5	39%	0.388	20%	0.204	S	C	.	.	H	α-helix	trans	-63.7	-43.6	176.4	0	0	0	0	0	111.9	E607 C608 A609 K614 S615	E607-A611 WeakPolarHBondContact O-CB 3.5Å; E607-A611 PolarHBondContact O-N 3.37Å; C608-A611 WeakPolarHBondContact O-CB 3.5Å; C608-A611 PolarHBondContact O-N 3.21Å; A609-A611 VanDerWaalsContact C-N 3.33Å; A609-A611 PolarHBondContact O-N 3.06Å; A611-K614 PolarHBondContact O-N 2.93Å; A611-S615 WeakPolarHBondContact O-CB 3.39Å; A611-S615 PolarHBondContact O-N 2.92Å
612	C	91.6	Very high	88.8	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.027	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-44.3	175.4	-169.1	0	0	0	0	111.9	S568 Y570 C608 A609 S615 T616	S568-C612 VanDerWaalsContact O-CA 3.28Å; S568-C612 WeakPolarHBondContact O-CA 3.16Å; S568-C612 WeakPolarHBondContact O-CB 3.48Å; S568-C612 PolarHBondContact O-N 2.71Å; Y570-C612 HydrophobicContact CD1-CB 3.55Å; Y570-C612 VanDerWaalsContact CD1-SG 3.6Å; Y570-C612 HydrophobicContact CE1-CB 3.46Å; Y570-C612 VanDerWaalsContact CE1-CB 3.46Å; C608-C612 PolarHBondContact O-N 3.19Å; A609-C612 PolarHBondContact O-N 3.08Å; C612-S615 PolarHBondContact O-N 2.83Å; C612-T616 WeakPolarHBondContact O-CB 3.23Å; C612-T616 PolarHBondContact O-N 2.79Å; C612-T616 PolarHBondContact O-OG1 3.28Å
613	I	94.1	Very high	88.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-41	178.4	-64	154.9	0	0	0	110.8	A609 T610 T616 Y617 L674 T678 M679	A609-I613 VanDerWaalsContact O-CD1 3.32Å; A609-I613 WeakPolarHBondContact O-CD1 3.43Å; A609-I613 WeakPolarHBondContact O-CG1 3.39Å; A609-I613 PolarHBondContact O-N 2.98Å; T610-I613 PolarHBondContact O-N 3.13Å; I613-T616 WeakPolarHBondContact O-CB 3.3Å; I613-T616 PolarHBondContact O-N 3.44Å; I613-Y617 PolarHBondContact O-N 3.01Å; I613-L674 HydrophobicContact CD1-CD2 4.27Å; I613-L674 HydrophobicContact CD1-CG 4.08Å; I613-T678 HydrophobicContact CB-CG2 4.09Å; I613-T678 HydrophobicContact CG2-CG2 3.71Å; I613-M679 HydrophobicContact CG2-CE 3.78Å; I613-M679 HydrophobicContact CG2-CG 3.92Å; I613-M679 HydrophobicContact CG2-SD 4.33Å
614	K	94.1	Very high	88.5	Confident	88 Å²	88	44.4 Å²	44.4	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-63.6	-44.9	174.4	-75.5	-177.4	176	-173.7	0	112.7	T610 A611 T616 Y617 Q618 T678 Q682	T610-K614 HydrophobicContact CG2-CD 4.41Å; T610-K614 WeakPolarHBondContact O-CB 3.19Å; T610-K614 WeakPolarHBondContact O-CG 3.28Å; T610-K614 PolarHBondContact O-N 2.94Å; A611-K614 PolarHBondContact O-N 2.93Å; K614-T616 VanDerWaalsContact C-N 3.27Å; K614-T616 PolarHBondContact O-N 3.42Å; K614-Y617 WeakPolarHBondContact O-CB 3.27Å; K614-Y617 PolarHBondContact O-N 3.43Å; K614-Q618 WeakPolarHBondContact O-CG 3.35Å; K614-Q618 PolarHBondContact O-N 2.84Å; K614-T678 HydrophobicContact CG-CG2 3.72Å; K614-Q682 HydrophobicContact CG-CG 4.23Å
615	S	91.7	Very high	87.7	Confident	68 Å²	68	51.1 Å²	51.1	48%	0.476	25%	0.247	S	C	.	.	H	α-helix	trans	-63.6	-35.4	174.3	179.3	0	0	0	0	111.7	A611 C612 Q618 F619	A611-S615 WeakPolarHBondContact O-CB 3.39Å; A611-S615 PolarHBondContact O-N 2.92Å; C612-S615 PolarHBondContact O-N 2.83Å; S615-Q618 PolarHBondContact O-N 3.45Å; S615-F619 WeakPolarHBondContact O-CB 3.2Å; S615-F619 PolarHBondContact O-N 3.19Å
616	T	92.4	Very high	86.7	Confident	22 Å²	22	58.3 Å²	58.3	14%	0.135	28%	0.281	C	S	.	.	H	α-helix	trans	-65.8	-43.2	173.7	-54.3	0	0	0	0	110.9	R571 C612 I613 K614 F619 L620 V650 M679	R571-T616 WeakPolarHBondContact CD-OG1 3.36Å; C612-T616 WeakPolarHBondContact O-CB 3.23Å; C612-T616 PolarHBondContact O-N 2.79Å; C612-T616 PolarHBondContact O-OG1 3.28Å; I613-T616 WeakPolarHBondContact O-CB 3.3Å; I613-T616 PolarHBondContact O-N 3.44Å; K614-T616 VanDerWaalsContact C-N 3.27Å; K614-T616 PolarHBondContact O-N 3.42Å; T616-F619 PolarHBondContact O-N 2.73Å; T616-L620 HydrophobicContact CG2-CG 4.47Å; T616-L620 VanDerWaalsContact O-CG 3.3Å; T616-L620 WeakPolarHBondContact O-CG 3.45Å; T616-L620 PolarHBondContact O-N 3.43Å; T616-V650 HydrophobicContact CG2-CG1 3.86Å; T616-V650 HydrophobicContact CG2-CG2 4.34Å; T616-M679 HydrophobicContact CG2-CE 4.09Å
617	Y	94.3	Very high	85.6	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.016	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-48	174.7	178.7	-89.1	0	0	0	111.9	I613 K614 F619 L620 F621 M643 M647 M679 Q682 Y683 D686	I613-Y617 PolarHBondContact O-N 3.01Å; K614-Y617 WeakPolarHBondContact O-CB 3.27Å; K614-Y617 PolarHBondContact O-N 3.43Å; Y617-F619 PolarHBondContact O-N 2.93Å; Y617-L620 PolarHBondContact O-N 3.27Å; Y617-F621 HydrophobicContact CE1-CB 4.39Å; Y617-F621 HydrophobicContact CE1-CD2 4.18Å; Y617-F621 WeakPolarHBondContact O-CB 3.36Å; Y617-F621 PolarHBondContact O-N 3.48Å; Y617-M643 HydrophobicContact CE2-CE 4.07Å; Y617-M647 HydrophobicContact CE2-SD 4.16Å; Y617-M679 HydrophobicContact CD2-SD 3.78Å; Y617-M679 HydrophobicContact CG-SD 4.31Å; Y617-Q682 HydrophobicContact CD1-CB 3.44Å; Y617-Q682 VanDerWaalsContact CD1-CB 3.44Å; Y617-Q682 HydrophobicContact CD1-CG 4.07Å; Y617-Q682 HydrophobicContact CD2-CB 3.92Å; Y617-Q682 HydrophobicContact CE1-CB 3.63Å; Y617-Q682 HydrophobicContact CE2-CB 4.08Å; Y617-Q682 HydrophobicContact CG-CB 3.61Å; Y617-Q682 HydrophobicContact CG-CG 4.13Å; Y617-Y683 WeakPolarHBondContact OH-CA 3.17Å; Y617-D686 VanDerWaalsContact CE1-OD2 3.23Å; Y617-D686 WeakPolarHBondContact CE1-OD2 3.3Å; Y617-D686 PolarHBondContact OH-OD2 3.23Å
618	Q	91.4	Very high	84.6	Confident	110 Å²	110	57.7 Å²	57.7	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-46	176.8	-71.9	175.8	-33.4	0	0	111.5	K614 S615 L620 F621 E622	K614-Q618 WeakPolarHBondContact O-CG 3.35Å; K614-Q618 PolarHBondContact O-N 2.84Å; S615-Q618 PolarHBondContact O-N 3.45Å; Q618-L620 PolarHBondContact O-N 2.93Å; Q618-F621 PolarHBondContact O-N 3.36Å; Q618-E622 WeakPolarHBondContact O-CG 3.49Å; Q618-E622 PolarHBondContact O-N 3.28Å
619	F	89	Confident	83.4	Confident	114 Å²	114	65.3 Å²	65.3	50%	0.5	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-47.3	174.3	175.6	-95.5	0	0	0	111.8	S615 T616 Y617 F621 N623	S615-F619 WeakPolarHBondContact O-CB 3.2Å; S615-F619 PolarHBondContact O-N 3.19Å; T616-F619 PolarHBondContact O-N 2.73Å; Y617-F619 PolarHBondContact O-N 2.93Å; F619-F621 VanDerWaalsContact C-N 3.33Å; F619-F621 PolarHBondContact O-N 3.24Å; F619-N623 VanDerWaalsContact CD2-ND2 3.27Å; F619-N623 WeakPolarHBondContact CD2-ND2 3.39Å; F619-N623 HydrophobicContact CE2-CB 4.48Å; F619-N623 WeakPolarHBondContact CE2-ND2 3.12Å; F619-N623 HydrophobicContact CZ-CB 4.32Å; F619-N623 WeakPolarHBondContact O-CB 3.38Å; F619-N623 PolarHBondContact O-N 3.03Å; F619-N623 PolarHBondContact O-ND2 3.34Å
620	L	90.5	Very high	82.3	Confident	12 Å²	12	67 Å²	67	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-60.8	-41	176.1	-69.5	179.1	0	0	0	112.1	T616 Y617 Q618 C624 M643 L646 V650 M679	T616-L620 HydrophobicContact CG2-CG 4.47Å; T616-L620 VanDerWaalsContact O-CG 3.3Å; T616-L620 WeakPolarHBondContact O-CG 3.45Å; T616-L620 PolarHBondContact O-N 3.43Å; Y617-L620 PolarHBondContact O-N 3.27Å; Q618-L620 PolarHBondContact O-N 2.93Å; L620-C624 WeakPolarHBondContact O-CB 3.49Å; L620-C624 PolarHBondContact O-N 3.43Å; L620-M643 HydrophobicContact CB-CE 4.44Å; L620-L646 HydrophobicContact CB-CD1 4.46Å; L620-L646 HydrophobicContact CD1-CB 4.08Å; L620-L646 HydrophobicContact CD2-CB 4.17Å; L620-L646 HydrophobicContact CD2-CD1 4.24Å; L620-L646 HydrophobicContact CD2-CD2 4.41Å; L620-V650 HydrophobicContact CD1-CG2 3.9Å; L620-V650 HydrophobicContact CD2-CG2 4.49Å; L620-M679 HydrophobicContact CD1-CE 4.38Å
621	F	89.5	Confident	81.3	Confident	54 Å²	54	66.5 Å²	66.5	24%	0.237	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-50.2	-179.2	-169.2	-78.7	0	0	0	111.5	Y617 Q618 F619 P632 F639 W640 M643 D686	Y617-F621 HydrophobicContact CE1-CB 4.39Å; Y617-F621 HydrophobicContact CE1-CD2 4.18Å; Y617-F621 WeakPolarHBondContact O-CB 3.36Å; Y617-F621 PolarHBondContact O-N 3.48Å; Q618-F621 PolarHBondContact O-N 3.36Å; F619-F621 VanDerWaalsContact C-N 3.33Å; F619-F621 PolarHBondContact O-N 3.24Å; F621-P632 HydrophobicContact CE1-CG 4.34Å; F621-P632 HydrophobicContact CZ-CG 4.18Å; F621-F639 HydrophobicContact CD1-CZ 4.49Å; F621-F639 HydrophobicContact CD2-CE1 4.34Å; F621-F639 AromaticContact CD2-CZ 3.99Å; F621-F639 HydrophobicContact CD2-CZ 3.99Å; F621-F639 HydrophobicContact CE1-CZ 4.33Å; F621-F639 AromaticContact CE2-CE1 3.83Å; F621-F639 HydrophobicContact CE2-CE1 3.83Å; F621-F639 AromaticContact CE2-CZ 3.81Å; F621-F639 HydrophobicContact CE2-CZ 3.81Å; F621-F639 HydrophobicContact CG-CZ 4.33Å; F621-F639 HydrophobicContact CZ-CE1 4.14Å; F621-F639 AromaticContact CZ-CZ 3.99Å; F621-F639 HydrophobicContact CZ-CZ 3.99Å; F621-W640 HydrophobicContact CE2-CH2 4.06Å; F621-W640 HydrophobicContact CE2-CZ3 4.31Å; F621-M643 HydrophobicContact CB-CE 3.92Å; F621-M643 HydrophobicContact CD2-CE 3.89Å; F621-M643 HydrophobicContact CG-CE 4.31Å; F621-D686 HydrophobicContact CE2-CB 3.87Å
622	E	84.1	Confident	80.9	Confident	141 Å²	141	67.8 Å²	67.8	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-63.8	-44.3	177.5	-69.2	175	177.2	0	0	111.7	Q618	Q618-E622 WeakPolarHBondContact O-CG 3.49Å; Q618-E622 PolarHBondContact O-N 3.28Å
623	N	80.7	Confident	80.4	Confident	31 Å²	31	69.7 Å²	69.7	17%	0.166	35%	0.346	C	S	.	.	H	α-helix	trans	-87.5	-4.2	-174.6	-65.3	-104.3	0	0	0	113	F619 Y625 E626 L627	F619-N623 VanDerWaalsContact CD2-ND2 3.27Å; F619-N623 WeakPolarHBondContact CD2-ND2 3.39Å; F619-N623 HydrophobicContact CE2-CB 4.48Å; F619-N623 WeakPolarHBondContact CE2-ND2 3.12Å; F619-N623 HydrophobicContact CZ-CB 4.32Å; F619-N623 WeakPolarHBondContact O-CB 3.38Å; F619-N623 PolarHBondContact O-N 3.03Å; F619-N623 PolarHBondContact O-ND2 3.34Å; N623-Y625 PolarHBondContact O-N 2.78Å; N623-E626 PolarHBondContact O-N 3.04Å; N623-L627 HydrophobicContact CB-CD1 4.5Å; N623-L627 WeakPolarHBondContact O-CB 3.49Å; N623-L627 VanDerWaalsContact O-CG 3.24Å; N623-L627 WeakPolarHBondContact O-CG 3.38Å; N623-L627 PolarHBondContact O-N 3.33Å
624	C	75.5	Confident	80	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.9	-33.2	171.9	-175.1	0	0	0	0	110.9	L620 F628 I630 F639 M643 L646	L620-C624 WeakPolarHBondContact O-CB 3.49Å; L620-C624 PolarHBondContact O-N 3.43Å; C624-F628 WeakPolarHBondContact O-CB 3.5Å; C624-F628 PolarHBondContact O-N 3Å; C624-I630 CarbonylContact C-O 3.58Å; C624-F639 HydrophobicContact CB-CD2 4.34Å; C624-F639 HydrophobicContact CB-CE2 3.7Å; C624-M643 HydrophobicContact CB-SD 3.71Å; C624-L646 HydrophobicContact CB-CD1 4.33Å
625	Y	64	Low	79.7	Confident	148 Å²	148	71.3 Å²	71.3	58%	0.58	36%	0.359	S	S	*	.	H	α-helix	trans	-64	-44.3	170	-175.4	-96.8	0	0	0	112.6	N623 Q629 I630	N623-Y625 PolarHBondContact O-N 2.78Å; Y625-Q629 WeakPolarHBondContact O-CA 3.46Å; Y625-Q629 PolarHBondContact O-N 3.44Å; Y625-I630 WeakPolarHBondContact CA-O 3.19Å; Y625-I630 PolarHBondContact N-O 2.98Å
626	E	61.7	Low	79.6	Confident	155 Å²	155	70 Å²	70	72%	0.724	35%	0.35	S	S	*	.	H	α-helix	trans	-71.1	-38	177.8	-64.4	-160.2	167.7	0	0	112.8	N623	N623-E626 PolarHBondContact O-N 3.04Å
627	L	65.2	Low	79.6	Confident	95 Å²	95	69.4 Å²	69.4	50%	0.497	35%	0.346	S	S	.	.	H	α-helix	trans	-71.5	-31.2	-178.5	-69.1	170.3	0	0	0	113.1	N623 L646	N623-L627 HydrophobicContact CB-CD1 4.5Å; N623-L627 WeakPolarHBondContact O-CB 3.49Å; N623-L627 VanDerWaalsContact O-CG 3.24Å; N623-L627 WeakPolarHBondContact O-CG 3.38Å; N623-L627 PolarHBondContact O-N 3.33Å; L627-L646 HydrophobicContact CD1-CD1 4.23Å; L627-L646 HydrophobicContact CD1-CD2 4.24Å
628	F	66.3	Low	79.4	Confident	83 Å²	83	73.2 Å²	73.2	36%	0.364	36%	0.364	S	S	.	.	H	α-helix	trans	-134.2	0.2	-171.9	-62.4	-65.1	0	0	0	115.9	C624 I630 K642 L646	C624-F628 WeakPolarHBondContact O-CB 3.5Å; C624-F628 PolarHBondContact O-N 3Å; F628-I630 PolarHBondContact O-N 2.99Å; F628-K642 HydrophobicContact CB-CD 3.81Å; F628-K642 HydrophobicContact CD1-CD 4.17Å; F628-K642 HydrophobicContact CD2-CB 4.14Å; F628-K642 HydrophobicContact CD2-CD 4.07Å; F628-K642 HydrophobicContact CD2-CG 4.41Å; F628-K642 HydrophobicContact CE2-CB 4.26Å; F628-K642 HydrophobicContact CG-CD 3.77Å; F628-K642 HydrophobicContact CG-CG 4.49Å; F628-L646 HydrophobicContact CE2-CD1 3.9Å; F628-L646 HydrophobicContact CE2-CD2 3.9Å; F628-L646 HydrophobicContact CE2-CG 3.9Å; F628-L646 HydrophobicContact CZ-CD2 4.25Å
629	Q	62.3	Low	79.4	Confident	165 Å²	165	68 Å²	68	77%	0.771	34%	0.34	S	S	*	.	S	Bend	trans	59.2	23.2	-174.2	-58.8	-175.7	0.7	0	0	114.6	Y625	Y625-Q629 WeakPolarHBondContact O-CA 3.46Å; Y625-Q629 PolarHBondContact O-N 3.44Å
630	I	66.1	Low	79.6	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.185	32%	0.317	C	S	.	.			trans	-131.2	123.8	-178.9	-59.2	-177	0	0	0	109.4	C624 Y625 F628 E638 F639 K642	C624-I630 CarbonylContact C-O 3.58Å; Y625-I630 WeakPolarHBondContact CA-O 3.19Å; Y625-I630 PolarHBondContact N-O 2.98Å; F628-I630 PolarHBondContact O-N 2.99Å; I630-E638 HydrophobicContact CD1-CB 4.28Å; I630-E638 HydrophobicContact CD1-CG 4.02Å; I630-E638 VanDerWaalsContact CD1-OE1 3.28Å; I630-E638 WeakPolarHBondContact CD1-OE1 3.49Å; I630-E638 WeakPolarHBondContact CD1-OE2 3.49Å; I630-F639 HydrophobicContact CG2-CB 3.96Å; I630-K642 HydrophobicContact CD1-CD 4.36Å; I630-K642 VanDerWaalsContact CD1-NZ 3.29Å
631	G	71.9	Confident	79.7	Confident	20 Å²	20	64.7 Å²	64.7	21%	0.206	33%	0.325	C	S	.	.			trans	-103.3	177	169.3	0	0	0	0	0	111.3	S633	G631-S633 PolarHBondContact O-N 2.82Å
632	P	81.6	Confident	79.7	Confident	74 Å²	74	64.4 Å²	64.4	48%	0.481	32%	0.324	S	S	.	.			trans	-59.9	127	170	27.1	-32.8	0	0	0	109.1	F621 F639 W640	F621-P632 HydrophobicContact CE1-CG 4.34Å; F621-P632 HydrophobicContact CZ-CG 4.18Å; P632-F639 HydrophobicContact CB-CD1 3.94Å; P632-F639 HydrophobicContact CB-CE1 3.92Å; P632-F639 HydrophobicContact CB-CG 4.4Å; P632-F639 HydrophobicContact CB-CZ 4.34Å; P632-F639 HydrophobicContact CG-CE1 4.37Å; P632-F639 HydrophobicContact CG-CZ 4.32Å; P632-W640 HydrophobicContact CB-CZ2 4.22Å
633	S	83.1	Confident	80.2	Confident	44 Å²	44	57.7 Å²	57.7	31%	0.308	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-144.5	137.6	-177.5	170.7	0	0	0	0	110	G631 D635 S636 H694	G631-S633 PolarHBondContact O-N 2.82Å; S633-D635 PolarHBondContact O-N 3.1Å; S633-D635 PolarHBondContact OG-N 3.36Å; S633-D635 VanDerWaalsContact OG-N 3.1Å; S633-S636 PolarHBondContact O-N 3.03Å; S633-H694 PolarHBondContact O-CE1 3.27Å; S633-H694 PolarHBondContact O-NE2 3.25Å
634	T	85.5	Confident	80.8	Confident	17 Å²	17	56.2 Å²	56.2	10%	0.104	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.1	175	61.2	0	0	0	0	113.2	E693 H694 Q697 K699	T634-E693 VanDerWaalsContact CG2-CD 3.41Å; T634-E693 HydrophobicContact CG2-CG 3.82Å; T634-E693 VanDerWaalsContact CG2-OE1 3.28Å; T634-E693 WeakPolarHBondContact CG2-OE1 3.27Å; T634-H694 PolarHBondContact O-CE1 3.45Å; T634-H694 PolarHBondContact O-ND1 3.01Å; T634-Q697 VanDerWaalsContact CB-OE1 3.23Å; T634-Q697 PolarHBondContact OG1-OE1 3.39Å; T634-K699 PolarHBondContact OG1-NZ 3.19Å
635	D	87.1	Confident	81.6	Confident	104 Å²	104	58.9 Å²	58.9	56%	0.556	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.9	177	-51.4	-45.5	0	0	0	113	S633 K699 C700	S633-D635 PolarHBondContact O-N 3.1Å; S633-D635 PolarHBondContact OG-N 3.36Å; S633-D635 VanDerWaalsContact OG-N 3.1Å; D635-K699 WeakPolarHBondContact OD1-CD 3.46Å; D635-K699 WeakPolarHBondContact OD1-CE 3.5Å; D635-K699 IonicContact OD1-NZ 2.63Å; D635-K699 PolarHBondContact OD1-NZ 3.26Å; D635-C700 PolarHBondContact O-SG 3.43Å
636	S	90.3	Very high	82.9	Confident	42 Å²	42	53.1 Å²	53.1	29%	0.294	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-155	132.3	179.6	179	0	0	0	0	114.6	S633 E638 C700	S633-S636 PolarHBondContact O-N 3.03Å; S636-E638 VanDerWaalsContact C-N 3.31Å; S636-E638 PolarHBondContact O-N 2.89Å; S636-E638 WeakPolarHBondContact OG-CB 3.22Å; S636-E638 PolarHBondContact OG-N 2.88Å; S636-C700 VanDerWaalsContact CA-SG 3.59Å; S636-C700 PolarHBondContact N-SG 2.93Å
637	V	92	Very high	84.5	Confident	8 Å²	8	45.8 Å²	45.8	5%	0.048	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.9	173.4	-61.6	0	0	0	0	114.5	F639 W640 H641 D704 Y705 L708	V637-F639 VanDerWaalsContact C-N 3.29Å; V637-F639 PolarHBondContact O-N 2.89Å; V637-W640 PolarHBondContact O-N 2.97Å; V637-H641 PolarHBondContact O-ND1 3.15Å; V637-D704 HydrophobicContact CG2-CB 3.67Å; V637-Y705 HydrophobicContact CG1-CD1 3.87Å; V637-Y705 HydrophobicContact CG1-CE1 3.77Å; V637-L708 HydrophobicContact CB-CD2 4.19Å; V637-L708 HydrophobicContact CG1-CD2 4.23Å
638	E	90.2	Very high	85.9	Confident	85 Å²	85	42.6 Å²	42.6	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-63.1	-35.4	-177.1	-167.4	-174.8	154	0	0	112.5	I630 S636 W640 H641 K642	I630-E638 HydrophobicContact CD1-CB 4.28Å; I630-E638 HydrophobicContact CD1-CG 4.02Å; I630-E638 VanDerWaalsContact CD1-OE1 3.28Å; I630-E638 WeakPolarHBondContact CD1-OE1 3.49Å; I630-E638 WeakPolarHBondContact CD1-OE2 3.49Å; S636-E638 VanDerWaalsContact C-N 3.31Å; S636-E638 PolarHBondContact O-N 2.89Å; S636-E638 WeakPolarHBondContact OG-CB 3.22Å; S636-E638 PolarHBondContact OG-N 2.88Å; E638-W640 VanDerWaalsContact C-N 3.31Å; E638-W640 PolarHBondContact O-N 2.9Å; E638-H641 WeakPolarHBondContact O-CB 3.4Å; E638-H641 PolarHBondContact O-N 2.98Å; E638-H641 VanDerWaalsContact O-N 3.14Å; E638-K642 HydrophobicContact CG-CD 4.33Å; E638-K642 PolarHBondContact O-N 3.06Å; E638-K642 VanDerWaalsContact O-N 3.07Å; E638-K642 WeakPolarHBondContact OE1-CE 3.35Å; E638-K642 IonicContact OE1-NZ 3.38Å; E638-K642 PolarHBondContact OE1-NZ 3.35Å
639	F	91.7	Very high	87.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-49.4	-50.5	173.7	175.9	-102	0	0	0	112.2	F621 C624 I630 P632 V637 H641 K642 M643	F621-F639 HydrophobicContact CD1-CZ 4.49Å; F621-F639 HydrophobicContact CD2-CE1 4.34Å; F621-F639 AromaticContact CD2-CZ 3.99Å; F621-F639 HydrophobicContact CD2-CZ 3.99Å; F621-F639 HydrophobicContact CE1-CZ 4.33Å; F621-F639 AromaticContact CE2-CE1 3.83Å; F621-F639 HydrophobicContact CE2-CE1 3.83Å; F621-F639 AromaticContact CE2-CZ 3.81Å; F621-F639 HydrophobicContact CE2-CZ 3.81Å; F621-F639 HydrophobicContact CG-CZ 4.33Å; F621-F639 HydrophobicContact CZ-CE1 4.14Å; F621-F639 AromaticContact CZ-CZ 3.99Å; F621-F639 HydrophobicContact CZ-CZ 3.99Å; C624-F639 HydrophobicContact CB-CD2 4.34Å; C624-F639 HydrophobicContact CB-CE2 3.7Å; I630-F639 HydrophobicContact CG2-CB 3.96Å; P632-F639 HydrophobicContact CB-CD1 3.94Å; P632-F639 HydrophobicContact CB-CE1 3.92Å; P632-F639 HydrophobicContact CB-CG 4.4Å; P632-F639 HydrophobicContact CB-CZ 4.34Å; P632-F639 HydrophobicContact CG-CE1 4.37Å; P632-F639 HydrophobicContact CG-CZ 4.32Å; V637-F639 VanDerWaalsContact C-N 3.29Å; V637-F639 PolarHBondContact O-N 2.89Å; F639-H641 VanDerWaalsContact C-N 3.29Å; F639-H641 PolarHBondContact O-N 3.02Å; F639-K642 PolarHBondContact O-N 3.11Å; F639-K642 VanDerWaalsContact O-N 3.16Å; F639-M643 HydrophobicContact CD1-CG 4.1Å; F639-M643 HydrophobicContact CD2-CG 4.36Å; F639-M643 HydrophobicContact CE1-CG 3.68Å; F639-M643 HydrophobicContact CE2-CG 3.99Å; F639-M643 HydrophobicContact CE2-SD 4.27Å; F639-M643 HydrophobicContact CG-CG 4.42Å; F639-M643 HydrophobicContact CZ-CG 3.62Å; F639-M643 HydrophobicContact CZ-SD 4Å; F639-M643 WeakPolarHBondContact O-CG 3.39Å; F639-M643 PolarHBondContact O-N 3.26Å
640	W	93	Very high	88.6	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.015	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-30.3	-176.5	-60	107.9	0	0	0	112.8	F621 P632 V637 E638 I644 Y683 D686 L687 A690 L708	F621-W640 HydrophobicContact CE2-CH2 4.06Å; F621-W640 HydrophobicContact CE2-CZ3 4.31Å; P632-W640 HydrophobicContact CB-CZ2 4.22Å; V637-W640 PolarHBondContact O-N 2.97Å; E638-W640 VanDerWaalsContact C-N 3.31Å; E638-W640 PolarHBondContact O-N 2.9Å; W640-I644 WeakPolarHBondContact O-CG1 3.42Å; W640-I644 PolarHBondContact O-N 2.6Å; W640-Y683 HydrophobicContact CE3-CD2 4.46Å; W640-Y683 AromaticContact CE3-CE2 3.74Å; W640-Y683 HydrophobicContact CE3-CE2 3.74Å; W640-Y683 HydrophobicContact CZ3-CE2 4.28Å; W640-Y683 PolarHBondContact O-OH 2.88Å; W640-D686 HydrophobicContact CH2-CB 3.95Å; W640-D686 HydrophobicContact CZ3-CB 4.16Å; W640-L687 HydrophobicContact CD2-CD1 3.81Å; W640-L687 HydrophobicContact CE3-CB 4.16Å; W640-L687 HydrophobicContact CE3-CD1 3.93Å; W640-L687 HydrophobicContact CG-CD1 4.05Å; W640-L687 HydrophobicContact CZ3-CB 4.08Å; W640-A690 HydrophobicContact CH2-CB 3.97Å; W640-A690 HydrophobicContact CZ2-CB 3.23Å; W640-L708 HydrophobicContact CB-CD1 3.58Å; W640-L708 HydrophobicContact CB-CD2 4.09Å; W640-L708 HydrophobicContact CG-CD2 4.35Å
641	H	91.8	Very high	90	Very high	52 Å²	52	33.5 Å²	33.5	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-69.9	-42.1	173.2	-69.5	82.2	0	0	0	111.8	V637 E638 F639 A645	V637-H641 PolarHBondContact O-ND1 3.15Å; E638-H641 WeakPolarHBondContact O-CB 3.4Å; E638-H641 PolarHBondContact O-N 2.98Å; E638-H641 VanDerWaalsContact O-N 3.14Å; F639-H641 VanDerWaalsContact C-N 3.29Å; F639-H641 PolarHBondContact O-N 3.02Å; H641-A645 PolarHBondContact O-N 2.8Å
642	K	90.6	Very high	91	Very high	49 Å²	49	34.9 Å²	34.9	21%	0.213	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-40	176.8	-75.3	173	163.9	168.9	0	112	F628 I630 E638 F639 I644 A645 L646	F628-K642 HydrophobicContact CB-CD 3.81Å; F628-K642 HydrophobicContact CD1-CD 4.17Å; F628-K642 HydrophobicContact CD2-CB 4.14Å; F628-K642 HydrophobicContact CD2-CD 4.07Å; F628-K642 HydrophobicContact CD2-CG 4.41Å; F628-K642 HydrophobicContact CE2-CB 4.26Å; F628-K642 HydrophobicContact CG-CD 3.77Å; F628-K642 HydrophobicContact CG-CG 4.49Å; I630-K642 HydrophobicContact CD1-CD 4.36Å; I630-K642 VanDerWaalsContact CD1-NZ 3.29Å; E638-K642 HydrophobicContact CG-CD 4.33Å; E638-K642 PolarHBondContact O-N 3.06Å; E638-K642 VanDerWaalsContact O-N 3.07Å; E638-K642 WeakPolarHBondContact OE1-CE 3.35Å; E638-K642 IonicContact OE1-NZ 3.38Å; E638-K642 PolarHBondContact OE1-NZ 3.35Å; F639-K642 PolarHBondContact O-N 3.11Å; F639-K642 VanDerWaalsContact O-N 3.16Å; K642-I644 PolarHBondContact O-N 3.06Å; K642-A645 WeakPolarHBondContact O-CB 3.38Å; K642-A645 PolarHBondContact O-N 3Å; K642-A645 VanDerWaalsContact O-N 3.1Å; K642-L646 PolarHBondContact O-N 3.26Å
643	M	93.2	Very high	91.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.2	-45.5	173.1	-76.7	-61.2	-67.2	0	0	112.4	Y617 L620 F621 C624 F639 A645 L646 M647 Y683	Y617-M643 HydrophobicContact CE2-CE 4.07Å; L620-M643 HydrophobicContact CB-CE 4.44Å; F621-M643 HydrophobicContact CB-CE 3.92Å; F621-M643 HydrophobicContact CD2-CE 3.89Å; F621-M643 HydrophobicContact CG-CE 4.31Å; C624-M643 HydrophobicContact CB-SD 3.71Å; F639-M643 HydrophobicContact CD1-CG 4.1Å; F639-M643 HydrophobicContact CD2-CG 4.36Å; F639-M643 HydrophobicContact CE1-CG 3.68Å; F639-M643 HydrophobicContact CE2-CG 3.99Å; F639-M643 HydrophobicContact CE2-SD 4.27Å; F639-M643 HydrophobicContact CG-CG 4.42Å; F639-M643 HydrophobicContact CZ-CG 3.62Å; F639-M643 HydrophobicContact CZ-SD 4Å; F639-M643 WeakPolarHBondContact O-CG 3.39Å; F639-M643 PolarHBondContact O-N 3.26Å; M643-A645 VanDerWaalsContact C-N 3.28Å; M643-A645 PolarHBondContact O-N 3.26Å; M643-L646 PolarHBondContact O-N 3.1Å; M643-L646 HydrophobicContact SD-CD1 4.3Å; M643-M647 VanDerWaalsContact O-CG 3.25Å; M643-M647 WeakPolarHBondContact O-CG 3.38Å; M643-M647 PolarHBondContact O-N 3.35Å; M643-Y683 HydrophobicContact CB-CE2 4.17Å
644	I	93.9	Very high	91.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.4	-42.3	173.9	-73.6	172.6	0	0	0	111.1	W640 K642 M647 I648 Y683 K711 V712 Y715	W640-I644 WeakPolarHBondContact O-CG1 3.42Å; W640-I644 PolarHBondContact O-N 2.6Å; K642-I644 PolarHBondContact O-N 3.06Å; I644-M647 PolarHBondContact O-N 3.47Å; I644-I648 HydrophobicContact CG2-CD1 3.65Å; I644-I648 HydrophobicContact CG2-CG1 4.42Å; I644-I648 VanDerWaalsContact O-CD1 3.3Å; I644-I648 WeakPolarHBondContact O-CD1 3.36Å; I644-I648 WeakPolarHBondContact O-CG1 3.24Å; I644-I648 PolarHBondContact O-N 2.87Å; I644-Y683 HydrophobicContact CD1-CE1 4.38Å; I644-Y683 VanDerWaalsContact CD1-OH 3.32Å; I644-Y683 WeakPolarHBondContact CD1-OH 3.42Å; I644-Y683 HydrophobicContact CG1-CE1 4.25Å; I644-Y683 HydrophobicContact CG1-CE2 4.01Å; I644-Y683 WeakPolarHBondContact CG1-OH 3.28Å; I644-K711 HydrophobicContact CD1-CB 4.34Å; I644-K711 HydrophobicContact CD1-CG 3.78Å; I644-K711 HydrophobicContact CG2-CG 4.3Å; I644-V712 HydrophobicContact CD1-CG2 3.94Å; I644-Y715 HydrophobicContact CG2-CD2 3.98Å; I644-Y715 HydrophobicContact CG2-CG 4.45Å
645	A	92.2	Very high	92.2	Very high	56 Å²	56	36 Å²	36	46%	0.463	19%	0.194	S	C	.	.	H	α-helix	trans	-64.9	-42.5	178.9	0	0	0	0	0	112.7	H641 K642 M643 I648 S649	H641-A645 PolarHBondContact O-N 2.8Å; K642-A645 WeakPolarHBondContact O-CB 3.38Å; K642-A645 PolarHBondContact O-N 3Å; K642-A645 VanDerWaalsContact O-N 3.1Å; M643-A645 VanDerWaalsContact C-N 3.28Å; M643-A645 PolarHBondContact O-N 3.26Å; A645-I648 PolarHBondContact O-N 2.98Å; A645-S649 PolarHBondContact O-N 2.9Å; A645-S649 VanDerWaalsContact O-N 3.13Å
646	L	92.2	Very high	92.3	Very high	27 Å²	27	35.7 Å²	35.7	14%	0.141	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-46.6	174.2	-70.7	176.1	0	0	0	111.8	L620 C624 L627 F628 K642 M643 I648 S649 V650	L620-L646 HydrophobicContact CB-CD1 4.46Å; L620-L646 HydrophobicContact CD1-CB 4.08Å; L620-L646 HydrophobicContact CD2-CB 4.17Å; L620-L646 HydrophobicContact CD2-CD1 4.24Å; L620-L646 HydrophobicContact CD2-CD2 4.41Å; C624-L646 HydrophobicContact CB-CD1 4.33Å; L627-L646 HydrophobicContact CD1-CD1 4.23Å; L627-L646 HydrophobicContact CD1-CD2 4.24Å; F628-L646 HydrophobicContact CE2-CD1 3.9Å; F628-L646 HydrophobicContact CE2-CD2 3.9Å; F628-L646 HydrophobicContact CE2-CG 3.9Å; F628-L646 HydrophobicContact CZ-CD2 4.25Å; K642-L646 PolarHBondContact O-N 3.26Å; M643-L646 PolarHBondContact O-N 3.1Å; M643-L646 HydrophobicContact SD-CD1 4.3Å; L646-I648 VanDerWaalsContact C-N 3.34Å; L646-I648 PolarHBondContact O-N 3.28Å; L646-S649 WeakPolarHBondContact O-CB 3.21Å; L646-S649 PolarHBondContact O-N 3.44Å; L646-V650 PolarHBondContact O-N 3.19Å; L646-V650 VanDerWaalsContact O-N 3.12Å
647	M	94.7	Very high	92.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-44.2	177.8	-70.1	159.7	57.6	0	0	111.7	Y617 M643 I644 S649 V650 I651 M679 Y683 Y715	Y617-M647 HydrophobicContact CE2-SD 4.16Å; M643-M647 VanDerWaalsContact O-CG 3.25Å; M643-M647 WeakPolarHBondContact O-CG 3.38Å; M643-M647 PolarHBondContact O-N 3.35Å; I644-M647 PolarHBondContact O-N 3.47Å; M647-S649 VanDerWaalsContact C-N 3.34Å; M647-S649 PolarHBondContact O-N 2.87Å; M647-V650 PolarHBondContact O-N 3.22Å; M647-I651 WeakPolarHBondContact O-CD1 3.21Å; M647-I651 VanDerWaalsContact O-CG1 3.22Å; M647-I651 WeakPolarHBondContact O-CG1 3.43Å; M647-I651 PolarHBondContact O-N 2.82Å; M647-M679 HydrophobicContact CE-CB 4.13Å; M647-M679 HydrophobicContact CG-SD 4.15Å; M647-Y683 VanDerWaalsContact CE-CB 3.45Å; M647-Y683 HydrophobicContact CE-CD1 4.25Å; M647-Y683 HydrophobicContact CE-CD2 3.91Å; M647-Y683 HydrophobicContact CE-CG 3.62Å; M647-Y683 HydrophobicContact SD-CD2 3.37Å; M647-Y683 WeakPolarHBondContact SD-CD2 3.45Å; M647-Y683 HydrophobicContact SD-CE2 4.07Å; M647-Y683 HydrophobicContact SD-CG 3.76Å; M647-Y715 HydrophobicContact CB-CE2 4.41Å; M647-Y715 HydrophobicContact CE-CE1 4.23Å; M647-Y715 HydrophobicContact CE-CE2 4.07Å; M647-Y715 WeakPolarHBondContact CE-OH 3.35Å
648	I	94.9	Very high	91.8	Very high	29 Å²	29	37.9 Å²	37.9	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-44.6	176.2	-68.7	159.1	0	0	0	111.2	I644 A645 L646 V650 I651 E652 W714 Y715 Y719	I644-I648 HydrophobicContact CG2-CD1 3.65Å; I644-I648 HydrophobicContact CG2-CG1 4.42Å; I644-I648 VanDerWaalsContact O-CD1 3.3Å; I644-I648 WeakPolarHBondContact O-CD1 3.36Å; I644-I648 WeakPolarHBondContact O-CG1 3.24Å; I644-I648 PolarHBondContact O-N 2.87Å; A645-I648 PolarHBondContact O-N 2.98Å; L646-I648 VanDerWaalsContact C-N 3.34Å; L646-I648 PolarHBondContact O-N 3.28Å; I648-V650 VanDerWaalsContact C-N 3.28Å; I648-V650 PolarHBondContact O-N 2.85Å; I648-I651 PolarHBondContact O-N 2.94Å; I648-E652 HydrophobicContact CG2-CG 4.45Å; I648-E652 PolarHBondContact O-N 3.44Å; I648-W714 HydrophobicContact CD1-CH2 4.26Å; I648-W714 HydrophobicContact CD1-CZ3 3.67Å; I648-Y715 HydrophobicContact CD1-CD2 4.31Å; I648-Y715 HydrophobicContact CG1-CD2 3.94Å; I648-Y715 HydrophobicContact CG1-CE2 4.07Å; I648-Y719 HydrophobicContact CD1-CE2 4.47Å; I648-Y719 HydrophobicContact CG1-CE2 4.01Å; I648-Y719 HydrophobicContact CG2-CE2 4.47Å
649	S	92.6	Very high	91.7	Very high	79 Å²	79	35 Å²	35	55%	0.552	19%	0.188	S	C	*	.	H	α-helix	trans	-57.3	-42.9	177.2	-169.1	0	0	0	0	111.8	A645 L646 M647 E653	A645-S649 PolarHBondContact O-N 2.9Å; A645-S649 VanDerWaalsContact O-N 3.13Å; L646-S649 WeakPolarHBondContact O-CB 3.21Å; L646-S649 PolarHBondContact O-N 3.44Å; M647-S649 VanDerWaalsContact C-N 3.34Å; M647-S649 PolarHBondContact O-N 2.87Å; S649-E653 PolarHBondContact O-N 3.22Å
650	V	92.9	Very high	91.3	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.067	21%	0.21	C	C	.	.	H	α-helix	trans	-72.5	-36.6	-179.1	174.8	0	0	0	0	111.9	R571 T616 L620 L646 M647 I648 E653 D654 M679	R571-V650 PolarHBondContact NH2-O 3.46Å; T616-V650 HydrophobicContact CG2-CG1 3.86Å; T616-V650 HydrophobicContact CG2-CG2 4.34Å; L620-V650 HydrophobicContact CD1-CG2 3.9Å; L620-V650 HydrophobicContact CD2-CG2 4.49Å; L646-V650 PolarHBondContact O-N 3.19Å; L646-V650 VanDerWaalsContact O-N 3.12Å; M647-V650 PolarHBondContact O-N 3.22Å; I648-V650 VanDerWaalsContact C-N 3.28Å; I648-V650 PolarHBondContact O-N 2.85Å; V650-E653 WeakPolarHBondContact O-CB 3.45Å; V650-E653 PolarHBondContact O-N 3Å; V650-D654 PolarHBondContact O-N 2.79Å; V650-M679 HydrophobicContact CB-CE 4.24Å; V650-M679 HydrophobicContact CG1-CE 3.53Å
651	I	95.1	Very high	90.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-42.3	175.3	-68	161.2	0	0	0	111.5	M647 I648 E653 D654 K655 A676 M679 Y715 Y719	M647-I651 WeakPolarHBondContact O-CD1 3.21Å; M647-I651 VanDerWaalsContact O-CG1 3.22Å; M647-I651 WeakPolarHBondContact O-CG1 3.43Å; M647-I651 PolarHBondContact O-N 2.82Å; I648-I651 PolarHBondContact O-N 2.94Å; I651-E653 VanDerWaalsContact C-N 3.32Å; I651-D654 PolarHBondContact O-N 3.43Å; I651-K655 VanDerWaalsContact O-CB 3.3Å; I651-K655 WeakPolarHBondContact O-CB 3.48Å; I651-K655 PolarHBondContact O-N 3.25Å; I651-A676 HydrophobicContact CD1-CB 4.17Å; I651-A676 HydrophobicContact CG1-CB 4.43Å; I651-A676 HydrophobicContact CG2-CB 4.05Å; I651-M679 HydrophobicContact CD1-CB 4.15Å; I651-M679 HydrophobicContact CD1-CG 4.39Å; I651-M679 HydrophobicContact CG1-CG 4.25Å; I651-Y715 HydrophobicContact CD1-CE2 3.95Å; I651-Y715 WeakPolarHBondContact CD1-OH 3.27Å; I651-Y719 HydrophobicContact CG2-CD1 3.87Å; I651-Y719 HydrophobicContact CG2-CE1 4.16Å
652	E	93.7	Very high	89.7	Confident	48 Å²	48	41.6 Å²	41.6	22%	0.224	22%	0.221	C	C	.	.	H	α-helix	trans	-66.8	-34.1	174.5	-71.7	-61.8	155	0	0	111.4	I648 K655 N656 Y719	I648-E652 HydrophobicContact CG2-CG 4.45Å; I648-E652 PolarHBondContact O-N 3.44Å; E652-K655 VanDerWaalsContact CD-NZ 3.33Å; E652-K655 PolarHBondContact O-N 2.98Å; E652-K655 IonicContact OE1-NZ 3.31Å; E652-K655 PolarHBondContact OE1-NZ 3.43Å; E652-K655 IonicContact OE2-NZ 2.69Å; E652-K655 PolarHBondContact OE2-NZ 3.12Å; E652-N656 VanDerWaalsContact O-CB 3.23Å; E652-N656 WeakPolarHBondContact O-CB 3.25Å; E652-N656 VanDerWaalsContact O-CG 3.22Å; E652-N656 PolarHBondContact O-N 3.11Å; E652-N656 PolarHBondContact O-ND2 3.24Å; E652-N656 PolarHBondContact OE2-ND2 3.03Å; E652-Y719 PolarHBondContact OE1-OH 3.49Å
653	E	90.5	Very high	89.2	Confident	58 Å²	58	44 Å²	44	27%	0.271	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-44.1	171	-160.6	-164.7	150.8	0	0	111.9	R571 S649 V650 I651 K655 I657 Y658	R571-E653 IonicContact CZ-OE2 3.82Å; R571-E653 IonicContact NH1-OE1 2.67Å; R571-E653 PolarHBondContact NH1-OE1 3.47Å; R571-E653 IonicContact NH1-OE2 2.65Å; R571-E653 PolarHBondContact NH1-OE2 2.94Å; R571-E653 IonicContact NH2-OE2 3.1Å; S649-E653 PolarHBondContact O-N 3.22Å; V650-E653 WeakPolarHBondContact O-CB 3.45Å; V650-E653 PolarHBondContact O-N 3Å; I651-E653 VanDerWaalsContact C-N 3.32Å; E653-K655 VanDerWaalsContact C-N 3.35Å; E653-K655 PolarHBondContact O-N 3.22Å; E653-I657 HydrophobicContact CG-CD1 3.73Å; E653-I657 HydrophobicContact CG-CG1 4.23Å; E653-I657 WeakPolarHBondContact O-CA 3.43Å; E653-I657 VanDerWaalsContact O-CB 3.3Å; E653-I657 WeakPolarHBondContact O-CB 3.23Å; E653-I657 PolarHBondContact O-N 3.26Å; E653-Y658 HydrophobicContact CG-CD2 4.46Å; E653-Y658 HydrophobicContact CG-CE2 3.8Å; E653-Y658 PolarHBondContact O-N 2.9Å; E653-Y658 WeakPolarHBondContact OE1-CE2 3.41Å; E653-Y658 PolarHBondContact OE1-OH 2.85Å
654	D	92.1	Very high	88.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-62.5	-39	175.1	-87.4	-33.4	0	0	0	113.6	Y570 R571 V650 I651 Y658 T659 I671 S675	Y570-D654 VanDerWaalsContact OH-CG 3.3Å; Y570-D654 PolarHBondContact OH-OD1 3.5Å; Y570-D654 PolarHBondContact OH-OD2 2.8Å; R571-D654 IonicContact CZ-OD1 3.04Å; R571-D654 IonicContact CZ-OD2 3.87Å; R571-D654 IonicContact NE-OD1 2.74Å; R571-D654 IonicContact NE-OD2 2.72Å; R571-D654 IonicContact NH2-OD1 2.95Å; R571-D654 PolarHBondContact NH2-OD1 3.46Å; R571-D654 IonicContact NH2-OD2 2.75Å; R571-D654 PolarHBondContact NH2-OD2 3.44Å; V650-D654 PolarHBondContact O-N 2.79Å; I651-D654 PolarHBondContact O-N 3.43Å; D654-Y658 WeakPolarHBondContact OD1-CD2 3.35Å; D654-T659 WeakPolarHBondContact O-CB 3.25Å; D654-T659 PolarHBondContact O-N 3.28Å; D654-T659 PolarHBondContact O-OG1 3.02Å; D654-I671 HydrophobicContact CB-CG2 3.97Å; D654-I671 WeakPolarHBondContact OD1-CG2 3.37Å; D654-S675 WeakPolarHBondContact OD2-CB 3.45Å; D654-S675 PolarHBondContact OD2-OG 2.91Å
655	K	91.7	Very high	87.7	Confident	100 Å²	100	48.3 Å²	48.3	44%	0.435	26%	0.256	S	S	.	.	I	π-helix	trans	-72.1	-43.6	178.5	178.2	175.8	151.2	-142.4	0	112.5	I651 E652 E653 T659	I651-K655 VanDerWaalsContact O-CB 3.3Å; I651-K655 WeakPolarHBondContact O-CB 3.48Å; I651-K655 PolarHBondContact O-N 3.25Å; E652-K655 VanDerWaalsContact CD-NZ 3.33Å; E652-K655 PolarHBondContact O-N 2.98Å; E652-K655 IonicContact OE1-NZ 3.31Å; E652-K655 PolarHBondContact OE1-NZ 3.43Å; E652-K655 IonicContact OE2-NZ 2.69Å; E652-K655 PolarHBondContact OE2-NZ 3.12Å; E653-K655 VanDerWaalsContact C-N 3.35Å; E653-K655 PolarHBondContact O-N 3.22Å; K655-T659 WeakPolarHBondContact O-CB 3.5Å
656	N	89.5	Confident	87.2	Confident	98 Å²	98	50.4 Å²	50.4	52%	0.524	26%	0.264	S	S	.	.	I	π-helix	trans	-94.6	-29.4	-169.9	-59.2	-46.2	0	0	0	113.4	E652	E652-N656 VanDerWaalsContact O-CB 3.23Å; E652-N656 WeakPolarHBondContact O-CB 3.25Å; E652-N656 VanDerWaalsContact O-CG 3.22Å; E652-N656 PolarHBondContact O-N 3.11Å; E652-N656 PolarHBondContact O-ND2 3.24Å; E652-N656 PolarHBondContact OE2-ND2 3.03Å
657	I	86.4	Confident	86.8	Confident	77 Å²	77	58.3 Å²	58.3	40%	0.395	30%	0.301	S	S	.	.	I	π-helix	trans	-100.6	-67.8	177.9	-53.2	-172.2	0	0	0	110.2	E653 T659 P660 Y661	E653-I657 HydrophobicContact CG-CD1 3.73Å; E653-I657 HydrophobicContact CG-CG1 4.23Å; E653-I657 WeakPolarHBondContact O-CA 3.43Å; E653-I657 VanDerWaalsContact O-CB 3.3Å; E653-I657 WeakPolarHBondContact O-CB 3.23Å; E653-I657 PolarHBondContact O-N 3.26Å; I657-T659 PolarHBondContact O-N 3.06Å; I657-P660 WeakPolarHBondContact O-CD 3.04Å; I657-Y661 HydrophobicContact CG2-CD2 4.08Å; I657-Y661 HydrophobicContact CG2-CE2 3.85Å; I657-Y661 WeakPolarHBondContact O-CD2 3.12Å
658	Y	85.6	Confident	86.2	Confident	19 Å²	19	61.2 Å²	61.2	8%	0.075	31%	0.314	C	S	.	.	I	π-helix	trans	-76.1	-29.2	-165.1	-56.2	-82.3	0	0	0	114.1	Y570 R571 A576 E653 D654 Y661 L662	Y570-Y658 AromaticContact CD2-CD1 3.43Å; Y570-Y658 HydrophobicContact CD2-CD1 3.43Å; Y570-Y658 VanDerWaalsContact CD2-CD1 3.43Å; Y570-Y658 HydrophobicContact CD2-CD2 4.41Å; Y570-Y658 AromaticContact CD2-CE1 3.52Å; Y570-Y658 HydrophobicContact CD2-CE1 3.52Å; Y570-Y658 HydrophobicContact CD2-CE2 4.48Å; Y570-Y658 AromaticContact CD2-CG 3.92Å; Y570-Y658 HydrophobicContact CD2-CG 3.92Å; Y570-Y658 AromaticContact CE2-CD1 3.56Å; Y570-Y658 HydrophobicContact CE2-CD1 3.56Å; Y570-Y658 AromaticContact CE2-CD2 3.73Å; Y570-Y658 HydrophobicContact CE2-CD2 3.73Å; Y570-Y658 AromaticContact CE2-CE1 3.81Å; Y570-Y658 HydrophobicContact CE2-CE1 3.81Å; Y570-Y658 AromaticContact CE2-CE2 3.96Å; Y570-Y658 HydrophobicContact CE2-CE2 3.96Å; Y570-Y658 AromaticContact CE2-CG 3.52Å; Y570-Y658 HydrophobicContact CE2-CG 3.52Å; R571-Y658 HydrophobicContact CG-CE2 4.27Å; A576-Y658 HydrophobicContact CB-CD1 4.31Å; A576-Y658 HydrophobicContact CB-CE1 3.7Å; E653-Y658 HydrophobicContact CG-CD2 4.46Å; E653-Y658 HydrophobicContact CG-CE2 3.8Å; E653-Y658 PolarHBondContact O-N 2.9Å; E653-Y658 WeakPolarHBondContact OE1-CE2 3.41Å; E653-Y658 PolarHBondContact OE1-OH 2.85Å; D654-Y658 WeakPolarHBondContact OD1-CD2 3.35Å; Y658-Y661 PolarHBondContact O-N 2.64Å; Y658-L662 VanDerWaalsContact O-CB 3.3Å; Y658-L662 WeakPolarHBondContact O-CB 3.4Å; Y658-L662 PolarHBondContact O-N 3.18Å
659	T	87.6	Confident	85.7	Confident	26 Å²	26	60.1 Å²	60.1	16%	0.16	31%	0.309	C	S	.	.	H	α-helix	trans	-62.9	-45.8	177.7	-59.9	0	0	0	0	112.7	D654 K655 I657 Y661 L662 N663 I671 G672	D654-T659 WeakPolarHBondContact O-CB 3.25Å; D654-T659 PolarHBondContact O-N 3.28Å; D654-T659 PolarHBondContact O-OG1 3.02Å; K655-T659 WeakPolarHBondContact O-CB 3.5Å; I657-T659 PolarHBondContact O-N 3.06Å; T659-Y661 PolarHBondContact O-N 3.47Å; T659-L662 CarbonylContact O-C 3.56Å; T659-L662 PolarHBondContact O-N 3Å; T659-N663 PolarHBondContact O-N 3.26Å; T659-I671 WeakPolarHBondContact OG1-CB 3.43Å; T659-I671 PolarHBondContact OG1-N 2.78Å; T659-G672 PolarHBondContact OG1-N 3.11Å
660	P	82.7	Confident	85.6	Confident	72 Å²	72	59.1 Å²	59.1	47%	0.468	30%	0.297	S	S	.	.	H	α-helix	trans	-56.5	-41.3	169.1	-30	35.1	0	0	0	115.3	I657 N663	I657-P660 WeakPolarHBondContact O-CD 3.04Å; P660-N663 WeakPolarHBondContact O-CB 3.42Å; P660-N663 VanDerWaalsContact O-CG 3.27Å; P660-N663 PolarHBondContact O-ND2 3.28Å
661	Y	74.2	Confident	85.5	Confident	114 Å²	114	58.6 Å²	58.6	45%	0.447	29%	0.294	S	S	.	.	H	α-helix	trans	-73.8	-29.5	179.4	-69.6	-64.8	0	0	0	113.4	I657 Y658 T659 Q664	I657-Y661 HydrophobicContact CG2-CD2 4.08Å; I657-Y661 HydrophobicContact CG2-CE2 3.85Å; I657-Y661 WeakPolarHBondContact O-CD2 3.12Å; Y658-Y661 PolarHBondContact O-N 2.64Å; T659-Y661 PolarHBondContact O-N 3.47Å; Y661-Q664 PolarHBondContact O-NE2 2.85Å
662	L	77.1	Confident	85.4	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.042	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	34.8	-178.8	-65.3	176.7	0	0	0	112.6	V580 Y658 T659 Q664 I671	V580-L662 HydrophobicContact CB-CD2 3.95Å; V580-L662 HydrophobicContact CG1-CD2 3.44Å; V580-L662 VanDerWaalsContact CG1-CD2 3.44Å; V580-L662 HydrophobicContact CG2-CD2 3.86Å; Y658-L662 VanDerWaalsContact O-CB 3.3Å; Y658-L662 WeakPolarHBondContact O-CB 3.4Å; Y658-L662 PolarHBondContact O-N 3.18Å; T659-L662 CarbonylContact O-C 3.56Å; T659-L662 PolarHBondContact O-N 3Å; L662-Q664 VanDerWaalsContact C-N 3.27Å; L662-Q664 VanDerWaalsContact CA-OE1 3.26Å; L662-Q664 PolarHBondContact O-N 3.48Å; L662-I671 HydrophobicContact CB-CD1 4.13Å; L662-I671 HydrophobicContact CB-CG1 3.75Å; L662-I671 HydrophobicContact CD1-CD1 3.68Å; L662-I671 HydrophobicContact CD1-CG1 3.72Å; L662-I671 HydrophobicContact CG-CG1 4.34Å
663	N	79.5	Confident	85.4	Confident	100 Å²	100	61.2 Å²	61.2	54%	0.535	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	10.3	-173.7	71.5	-1.4	0	0	0	115.2	T659 P660 F665 P666	T659-N663 PolarHBondContact O-N 3.26Å; P660-N663 WeakPolarHBondContact O-CB 3.42Å; P660-N663 VanDerWaalsContact O-CG 3.27Å; P660-N663 PolarHBondContact O-ND2 3.28Å; N663-F665 VanDerWaalsContact C-N 3.26Å; N663-F665 PolarHBondContact O-N 3.16Å; N663-P666 VanDerWaalsContact O-CD 3.32Å; N663-P666 WeakPolarHBondContact O-CD 3.45Å
664	Q	75.4	Confident	85.6	Confident	55 Å²	55	59.6 Å²	59.6	26%	0.257	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.8	-171.7	-57.1	79.9	15.5	0	0	113.6	P584 Y661 L662	P584-Q664 HydrophobicContact CG-CB 3.88Å; P584-Q664 HydrophobicContact CG-CG 3.84Å; Y661-Q664 PolarHBondContact O-NE2 2.85Å; L662-Q664 VanDerWaalsContact C-N 3.27Å; L662-Q664 VanDerWaalsContact CA-OE1 3.26Å; L662-Q664 PolarHBondContact O-N 3.48Å
665	F	81.7	Confident	85.7	Confident	35 Å²	35	59.6 Å²	59.6	15%	0.154	30%	0.3	C	S	.	.	S	Bend	trans	-131	57.4	178.6	-49.2	-70.1	0	0	0	111.5	P584 A601 V605 N663 Q667 E668 L669	P584-F665 HydrophobicContact CB-CZ 4.03Å; P584-F665 HydrophobicContact CG-CZ 4.1Å; A601-F665 HydrophobicContact CB-CE1 3.85Å; A601-F665 HydrophobicContact CB-CE2 3.92Å; A601-F665 HydrophobicContact CB-CZ 3.3Å; V605-F665 HydrophobicContact CG2-CE2 4.42Å; N663-F665 VanDerWaalsContact C-N 3.26Å; N663-F665 PolarHBondContact O-N 3.16Å; F665-Q667 PolarHBondContact O-N 3.07Å; F665-Q667 VanDerWaalsContact O-N 3.1Å; F665-E668 HydrophobicContact CB-CB 4.26Å; F665-E668 PolarHBondContact O-N 3.34Å; F665-L669 HydrophobicContact CB-CB 4.35Å; F665-L669 PolarHBondContact O-N 3.14Å
666	P	81.3	Confident	85.9	Confident	99 Å²	99	55 Å²	55	64%	0.643	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.8	-162.2	29.6	-34.6	0	0	0	113.7	N663	N663-P666 VanDerWaalsContact O-CD 3.32Å; N663-P666 WeakPolarHBondContact O-CD 3.45Å
667	Q	82.7	Confident	86.1	Confident	193 Å²	193	51.1 Å²	51.1	90%	0.902	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.5	174.3	-64.8	-179	-5.7	0	0	113.4	F665	F665-Q667 PolarHBondContact O-N 3.07Å; F665-Q667 VanDerWaalsContact O-N 3.1Å
668	E	82.4	Confident	86.6	Confident	62 Å²	62	48 Å²	48	29%	0.29	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-35.3	-171.9	-58.8	-177	-136.3	0	0	112.8	R600 S602 R606 F665	R600-E668 IonicContact CZ-OE1 2.69Å; R600-E668 IonicContact CZ-OE2 2.89Å; R600-E668 VanDerWaalsContact CZ-OE2 3.25Å; R600-E668 IonicContact NE-OE1 2.9Å; R600-E668 PolarHBondContact NE-OE1 2.95Å; R600-E668 IonicContact NE-OE2 3.27Å; R600-E668 PolarHBondContact NE-OE2 3.11Å; R600-E668 IonicContact NH2-OE1 2.62Å; R600-E668 PolarHBondContact NH2-OE1 2.87Å; R600-E668 IonicContact NH2-OE2 2.64Å; R600-E668 PolarHBondContact NH2-OE2 2.87Å; S602-E668 WeakPolarHBondContact CB-OE2 3.49Å; S602-E668 PolarHBondContact OG-OE2 2.9Å; R606-E668 PolarHBondContact NH1-O 3.32Å; R606-E668 PolarHBondContact NH2-O 3.28Å; F665-E668 HydrophobicContact CB-CB 4.26Å; F665-E668 PolarHBondContact O-N 3.34Å
669	L	84.4	Confident	87	Confident	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.244	C	C	.	.			trans	-134.2	116.1	-172.2	-178.6	61	0	0	0	110.3	V605 R606 F665 I671 L674	V605-L669 HydrophobicContact CB-CD2 3.81Å; V605-L669 HydrophobicContact CG1-CD2 3.52Å; R606-L669 HydrophobicContact CB-CD1 4Å; R606-L669 HydrophobicContact CG-CD1 4.12Å; F665-L669 HydrophobicContact CB-CB 4.35Å; F665-L669 PolarHBondContact O-N 3.14Å; L669-I671 HydrophobicContact CD1-CD1 3.99Å; L669-I671 HydrophobicContact CD2-CD1 3.92Å; L669-I671 HydrophobicContact CG-CD1 3.84Å; L669-L674 HydrophobicContact CD1-CD2 3.88Å
670	N	91.1	Very high	87.5	Confident	57 Å²	57	46.5 Å²	46.5	31%	0.305	24%	0.239	S	C	.	.			trans	-120.4	118.5	167.8	179.6	-58.8	0	0	0	107.2	G672 Q673 L674	N670-G672 PolarHBondContact OD1-N 2.89Å; N670-Q673 HydrophobicContact CB-CB 4.12Å; N670-Q673 HydrophobicContact CB-CG 4.22Å; N670-Q673 PolarHBondContact O-N 2.85Å; N670-Q673 PolarHBondContact OD1-N 3.41Å; N670-L674 WeakPolarHBondContact O-CB 3.44Å; N670-L674 PolarHBondContact O-N 2.93Å
671	I	90.7	Very high	88	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-71.1	-38.6	-170.6	-54	-66.7	0	0	0	111	A609 D654 T659 L662 L669 Q673 L674 S675	A609-I671 HydrophobicContact CB-CD1 4.16Å; D654-I671 HydrophobicContact CB-CG2 3.97Å; D654-I671 WeakPolarHBondContact OD1-CG2 3.37Å; T659-I671 WeakPolarHBondContact OG1-CB 3.43Å; T659-I671 PolarHBondContact OG1-N 2.78Å; L662-I671 HydrophobicContact CB-CD1 4.13Å; L662-I671 HydrophobicContact CB-CG1 3.75Å; L662-I671 HydrophobicContact CD1-CD1 3.68Å; L662-I671 HydrophobicContact CD1-CG1 3.72Å; L662-I671 HydrophobicContact CG-CG1 4.34Å; L669-I671 HydrophobicContact CD1-CD1 3.99Å; L669-I671 HydrophobicContact CD2-CD1 3.92Å; L669-I671 HydrophobicContact CG-CD1 3.84Å; I671-Q673 PolarHBondContact O-N 3.45Å; I671-L674 PolarHBondContact O-N 2.94Å; I671-S675 VanDerWaalsContact O-CB 3.28Å; I671-S675 WeakPolarHBondContact O-CB 3.46Å; I671-S675 PolarHBondContact O-N 3.44Å
672	G	92.4	Very high	89	Confident	5 Å²	5	41.3 Å²	41.3	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-43.9	174.1	0	0	0	0	0	113	T659 N670 S675 A676	T659-G672 PolarHBondContact OG1-N 3.11Å; N670-G672 PolarHBondContact OD1-N 2.89Å; G672-S675 WeakPolarHBondContact O-CB 3.42Å; G672-S675 PolarHBondContact O-N 3.36Å; G672-A676 PolarHBondContact O-N 2.83Å
673	Q	93.9	Very high	89.9	Confident	100 Å²	100	41 Å²	41	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-67.7	-41.5	175.5	-70.9	179.7	-12.2	0	0	112.3	N670 I671 S675 A676 A677 I723	N670-Q673 HydrophobicContact CB-CB 4.12Å; N670-Q673 HydrophobicContact CB-CG 4.22Å; N670-Q673 PolarHBondContact O-N 2.85Å; N670-Q673 PolarHBondContact OD1-N 3.41Å; I671-Q673 PolarHBondContact O-N 3.45Å; Q673-S675 VanDerWaalsContact C-N 3.29Å; Q673-S675 PolarHBondContact O-N 2.79Å; Q673-A676 PolarHBondContact O-N 3.14Å; Q673-A677 WeakPolarHBondContact O-CB 3.48Å; Q673-A677 PolarHBondContact O-N 3.35Å; Q673-A677 VanDerWaalsContact O-N 3.08Å; Q673-I723 HydrophobicContact CB-CD1 3.97Å; Q673-I723 HydrophobicContact CB-CG2 4.39Å; Q673-I723 HydrophobicContact CG-CD1 4.1Å; Q673-I723 HydrophobicContact CG-CG1 4.4Å
674	L	94	Very high	90.6	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.126	20%	0.197	C	C	.	.	H	α-helix	trans	-62.3	-38.7	175.4	-177.8	65.2	0	0	0	111.5	R606 A609 I613 L669 N670 I671 T678	R606-L674 HydrophobicContact CG-CD1 4Å; R606-L674 HydrophobicContact CG-CD2 3.95Å; A609-L674 HydrophobicContact CB-CD2 3.75Å; I613-L674 HydrophobicContact CD1-CD2 4.27Å; I613-L674 HydrophobicContact CD1-CG 4.08Å; L669-L674 HydrophobicContact CD1-CD2 3.88Å; N670-L674 WeakPolarHBondContact O-CB 3.44Å; N670-L674 PolarHBondContact O-N 2.93Å; I671-L674 PolarHBondContact O-N 2.94Å; L674-T678 VanDerWaalsContact O-CB 3.23Å; L674-T678 WeakPolarHBondContact O-CB 3.44Å; L674-T678 PolarHBondContact O-N 2.81Å; L674-T678 PolarHBondContact O-OG1 3.15Å
675	S	95.1	Very high	91.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-54.5	175.5	-163.8	0	0	0	0	111.2	D654 I671 G672 Q673 A677 T678 M679	D654-S675 WeakPolarHBondContact OD2-CB 3.45Å; D654-S675 PolarHBondContact OD2-OG 2.91Å; I671-S675 VanDerWaalsContact O-CB 3.28Å; I671-S675 WeakPolarHBondContact O-CB 3.46Å; I671-S675 PolarHBondContact O-N 3.44Å; G672-S675 WeakPolarHBondContact O-CB 3.42Å; G672-S675 PolarHBondContact O-N 3.36Å; Q673-S675 VanDerWaalsContact C-N 3.29Å; Q673-S675 PolarHBondContact O-N 2.79Å; S675-A677 PolarHBondContact O-N 2.99Å; S675-T678 PolarHBondContact O-N 3.27Å; S675-M679 VanDerWaalsContact O-CB 3.22Å; S675-M679 WeakPolarHBondContact O-CB 3.43Å; S675-M679 VanDerWaalsContact O-CG 3.27Å; S675-M679 WeakPolarHBondContact O-CG 3.3Å; S675-M679 PolarHBondContact O-N 2.89Å
676	A	95.9	Very high	92.1	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-58.4	-44.8	180	0	0	0	0	0	112.9	I651 G672 Q673 W680 Y719 I723	I651-A676 HydrophobicContact CD1-CB 4.17Å; I651-A676 HydrophobicContact CG1-CB 4.43Å; I651-A676 HydrophobicContact CG2-CB 4.05Å; G672-A676 PolarHBondContact O-N 2.83Å; Q673-A676 PolarHBondContact O-N 3.14Å; A676-W680 WeakPolarHBondContact O-CB 3.21Å; A676-W680 PolarHBondContact O-N 2.87Å; A676-Y719 VanDerWaalsContact CB-O 3.31Å; A676-Y719 WeakPolarHBondContact CB-O 3.33Å; A676-I723 HydrophobicContact CB-CD1 3.83Å
677	A	94.9	Very high	92.7	Very high	17 Å²	17	35 Å²	35	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-42.4	177.5	0	0	0	0	0	112.9	Q673 S675 S681 I723 Y726	Q673-A677 WeakPolarHBondContact O-CB 3.48Å; Q673-A677 PolarHBondContact O-N 3.35Å; Q673-A677 VanDerWaalsContact O-N 3.08Å; S675-A677 PolarHBondContact O-N 2.99Å; A677-S681 WeakPolarHBondContact O-CB 3.3Å; A677-S681 PolarHBondContact O-N 3.42Å; A677-I723 HydrophobicContact CB-CG2 4.31Å; A677-Y726 HydrophobicContact CB-CE2 4.21Å
678	T	95.6	Very high	93.3	Very high	13 Å²	13	29.9 Å²	29.9	8%	0.08	16%	0.156	C	C	.	.	H	α-helix	trans	-71.5	-44.4	-179.1	-54.8	0	0	0	0	111.4	T610 I613 K614 L674 S675 S681 Q682	T610-T678 HydrophobicContact CG2-CG2 3.97Å; I613-T678 HydrophobicContact CB-CG2 4.09Å; I613-T678 HydrophobicContact CG2-CG2 3.71Å; K614-T678 HydrophobicContact CG-CG2 3.72Å; L674-T678 VanDerWaalsContact O-CB 3.23Å; L674-T678 WeakPolarHBondContact O-CB 3.44Å; L674-T678 PolarHBondContact O-N 2.81Å; L674-T678 PolarHBondContact O-OG1 3.15Å; S675-T678 PolarHBondContact O-N 3.27Å; T678-S681 PolarHBondContact O-N 2.92Å; T678-Q682 PolarHBondContact O-N 3.46Å; T678-Q682 VanDerWaalsContact O-N 3.1Å
679	M	95.3	Very high	93.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.2	-45.9	175.3	-75.8	-70.4	177.9	0	0	111.4	I613 T616 Y617 L620 M647 V650 I651 S675 Q682 Y683	I613-M679 HydrophobicContact CG2-CE 3.78Å; I613-M679 HydrophobicContact CG2-CG 3.92Å; I613-M679 HydrophobicContact CG2-SD 4.33Å; T616-M679 HydrophobicContact CG2-CE 4.09Å; Y617-M679 HydrophobicContact CD2-SD 3.78Å; Y617-M679 HydrophobicContact CG-SD 4.31Å; L620-M679 HydrophobicContact CD1-CE 4.38Å; M647-M679 HydrophobicContact CE-CB 4.13Å; M647-M679 HydrophobicContact CG-SD 4.15Å; V650-M679 HydrophobicContact CB-CE 4.24Å; V650-M679 HydrophobicContact CG1-CE 3.53Å; I651-M679 HydrophobicContact CD1-CB 4.15Å; I651-M679 HydrophobicContact CD1-CG 4.39Å; I651-M679 HydrophobicContact CG1-CG 4.25Å; S675-M679 VanDerWaalsContact O-CB 3.22Å; S675-M679 WeakPolarHBondContact O-CB 3.43Å; S675-M679 VanDerWaalsContact O-CG 3.27Å; S675-M679 WeakPolarHBondContact O-CG 3.3Å; S675-M679 PolarHBondContact O-N 2.89Å; M679-Q682 PolarHBondContact O-N 3.4Å; M679-Y683 VanDerWaalsContact O-CB 3.25Å; M679-Y683 WeakPolarHBondContact O-CB 3.45Å; M679-Y683 PolarHBondContact O-N 3.32Å
680	W	96.3	Very high	94.1	Very high	12 Å²	12	32.2 Å²	32.2	5%	0.045	17%	0.172	C	C	.	.	H	α-helix	trans	-57.7	-50.1	173.4	175.5	-110.4	0	0	0	111.6	A676 Q682 Y683 T684 V712 Y715 Y716 V720 Y726 F733	A676-W680 WeakPolarHBondContact O-CB 3.21Å; A676-W680 PolarHBondContact O-N 2.87Å; W680-Q682 VanDerWaalsContact C-N 3.29Å; W680-Q682 PolarHBondContact O-N 2.95Å; W680-Y683 HydrophobicContact CE3-CD1 4.33Å; W680-Y683 HydrophobicContact CZ3-CD1 4.35Å; W680-Y683 PolarHBondContact O-N 2.75Å; W680-T684 HydrophobicContact CD2-CG2 3.62Å; W680-T684 HydrophobicContact CE3-CG2 3.95Å; W680-T684 HydrophobicContact CG-CG2 4.24Å; W680-T684 HydrophobicContact CH2-CG2 3.85Å; W680-T684 HydrophobicContact CZ2-CG2 3.44Å; W680-T684 VanDerWaalsContact CZ2-CG2 3.44Å; W680-T684 HydrophobicContact CZ3-CG2 4.08Å; W680-T684 WeakPolarHBondContact O-CG2 3.32Å; W680-T684 PolarHBondContact O-N 2.84Å; W680-T684 PolarHBondContact O-OG1 2.88Å; W680-V712 HydrophobicContact CH2-CG1 3.92Å; W680-V712 HydrophobicContact CZ3-CG1 3.98Å; W680-Y715 HydrophobicContact CB-CE1 4.19Å; W680-Y715 HydrophobicContact CD2-CE1 4.29Å; W680-Y715 AromaticContact CE3-CD1 3.63Å; W680-Y715 HydrophobicContact CE3-CD1 3.63Å; W680-Y715 AromaticContact CE3-CE1 3.52Å; W680-Y715 HydrophobicContact CE3-CE1 3.52Å; W680-Y715 AromaticContact CZ3-CD1 3.91Å; W680-Y715 HydrophobicContact CZ3-CD1 3.91Å; W680-Y715 HydrophobicContact CZ3-CE1 4.27Å; W680-Y716 HydrophobicContact CD2-CD2 4.24Å; W680-Y716 AromaticContact CE2-CD2 3.57Å; W680-Y716 AromaticContact CH2-CD2 3.83Å; W680-Y716 HydrophobicContact CH2-CD2 3.83Å; W680-Y716 HydrophobicContact CH2-CG 4.29Å; W680-Y716 AromaticContact CZ2-CD2 3.35Å; W680-Y716 HydrophobicContact CZ2-CD2 3.35Å; W680-Y716 AromaticContact CZ2-CE2 3.99Å; W680-Y716 HydrophobicContact CZ2-CE2 3.99Å; W680-Y716 HydrophobicContact CZ2-CG 4.22Å; W680-Y716 HydrophobicContact CZ3-CD2 4.45Å; W680-V720 HydrophobicContact CB-CG1 4.36Å; W680-V720 HydrophobicContact CB-CG2 3.78Å; W680-V720 HydrophobicContact CD2-CG1 4.37Å; W680-V720 HydrophobicContact CD2-CG2 4.04Å; W680-V720 HydrophobicContact CE3-CG2 4.38Å; W680-V720 HydrophobicContact CG-CB 4.47Å; W680-V720 HydrophobicContact CG-CG1 3.88Å; W680-V720 HydrophobicContact CG-CG2 3.79Å; W680-Y726 AromaticContact CD1-CE1 3.91Å; W680-Y726 AromaticContact CD1-CZ 3.63Å; W680-Y726 AromaticContact NE1-CE1 3.9Å; W680-F733 HydrophobicContact CH2-CB 4.18Å; W680-F733 AromaticContact CH2-CD1 3.72Å; W680-F733 HydrophobicContact CH2-CD1 3.72Å; W680-F733 HydrophobicContact CH2-CE1 4.4Å; W680-F733 HydrophobicContact CH2-CG 4.01Å; W680-F733 HydrophobicContact CZ2-CB 4.39Å; W680-F733 AromaticContact CZ2-CD1 3.87Å; W680-F733 HydrophobicContact CZ2-CD1 3.87Å; W680-F733 HydrophobicContact CZ2-CG 4.41Å
681	S	94.7	Very high	94.3	Very high	46 Å²	46	29.7 Å²	29.7	32%	0.322	16%	0.159	S	C	.	.	H	α-helix	trans	-61.5	-30.5	-177.7	175.7	0	0	0	0	114.2	A677 T678 T684 I685	A677-S681 WeakPolarHBondContact O-CB 3.3Å; A677-S681 PolarHBondContact O-N 3.42Å; T678-S681 PolarHBondContact O-N 2.92Å; S681-T684 PolarHBondContact O-OG1 2.98Å; S681-I685 WeakPolarHBondContact O-CD1 3.5Å; S681-I685 WeakPolarHBondContact O-CG1 3.47Å
682	Q	94.8	Very high	94.3	Very high	32 Å²	32	34.3 Å²	34.3	15%	0.15	18%	0.18	C	C	.	.	H	α-helix	trans	-77.7	-51.1	171.9	-58.3	-60	-109.8	0	0	110.6	K614 Y617 T678 M679 W680 T684 I685 D686	K614-Q682 HydrophobicContact CG-CG 4.23Å; Y617-Q682 HydrophobicContact CD1-CB 3.44Å; Y617-Q682 VanDerWaalsContact CD1-CB 3.44Å; Y617-Q682 HydrophobicContact CD1-CG 4.07Å; Y617-Q682 HydrophobicContact CD2-CB 3.92Å; Y617-Q682 HydrophobicContact CE1-CB 3.63Å; Y617-Q682 HydrophobicContact CE2-CB 4.08Å; Y617-Q682 HydrophobicContact CG-CB 3.61Å; Y617-Q682 HydrophobicContact CG-CG 4.13Å; T678-Q682 PolarHBondContact O-N 3.46Å; T678-Q682 VanDerWaalsContact O-N 3.1Å; M679-Q682 PolarHBondContact O-N 3.4Å; W680-Q682 VanDerWaalsContact C-N 3.29Å; W680-Q682 PolarHBondContact O-N 2.95Å; Q682-T684 VanDerWaalsContact C-N 3.26Å; Q682-T684 PolarHBondContact O-N 2.97Å; Q682-T684 VanDerWaalsContact O-N 3.15Å; Q682-I685 WeakPolarHBondContact O-CB 3.24Å; Q682-I685 PolarHBondContact O-N 3.01Å; Q682-D686 PolarHBondContact O-N 3.17Å
683	Y	95.5	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53	-39.1	179.5	-179	-99.4	0	0	0	114.3	Y617 W640 M643 I644 M647 M679 W680 I685 L687 V712	Y617-Y683 WeakPolarHBondContact OH-CA 3.17Å; W640-Y683 HydrophobicContact CE3-CD2 4.46Å; W640-Y683 AromaticContact CE3-CE2 3.74Å; W640-Y683 HydrophobicContact CE3-CE2 3.74Å; W640-Y683 HydrophobicContact CZ3-CE2 4.28Å; W640-Y683 PolarHBondContact O-OH 2.88Å; M643-Y683 HydrophobicContact CB-CE2 4.17Å; I644-Y683 HydrophobicContact CD1-CE1 4.38Å; I644-Y683 VanDerWaalsContact CD1-OH 3.32Å; I644-Y683 WeakPolarHBondContact CD1-OH 3.42Å; I644-Y683 HydrophobicContact CG1-CE1 4.25Å; I644-Y683 HydrophobicContact CG1-CE2 4.01Å; I644-Y683 WeakPolarHBondContact CG1-OH 3.28Å; M647-Y683 VanDerWaalsContact CE-CB 3.45Å; M647-Y683 HydrophobicContact CE-CD1 4.25Å; M647-Y683 HydrophobicContact CE-CD2 3.91Å; M647-Y683 HydrophobicContact CE-CG 3.62Å; M647-Y683 HydrophobicContact SD-CD2 3.37Å; M647-Y683 WeakPolarHBondContact SD-CD2 3.45Å; M647-Y683 HydrophobicContact SD-CE2 4.07Å; M647-Y683 HydrophobicContact SD-CG 3.76Å; M679-Y683 VanDerWaalsContact O-CB 3.25Å; M679-Y683 WeakPolarHBondContact O-CB 3.45Å; M679-Y683 PolarHBondContact O-N 3.32Å; W680-Y683 HydrophobicContact CE3-CD1 4.33Å; W680-Y683 HydrophobicContact CZ3-CD1 4.35Å; W680-Y683 PolarHBondContact O-N 2.75Å; Y683-I685 VanDerWaalsContact C-N 3.3Å; Y683-I685 PolarHBondContact O-N 3.38Å; Y683-L687 HydrophobicContact CD1-CB 4.48Å; Y683-L687 HydrophobicContact CD1-CD2 4.36Å; Y683-L687 HydrophobicContact CE1-CB 4.2Å; Y683-L687 HydrophobicContact CE1-CD2 3.53Å; Y683-L687 HydrophobicContact CE1-CG 4.4Å; Y683-L687 WeakPolarHBondContact O-CB 3.19Å; Y683-L687 PolarHBondContact O-N 3.37Å; Y683-V712 HydrophobicContact CE1-CG2 4.22Å
684	T	94.9	Very high	94.3	Very high	23 Å²	23	34 Å²	34	14%	0.141	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-28.6	178	46.9	0	0	0	0	114.2	W680 S681 Q682 K688 W736	W680-T684 HydrophobicContact CD2-CG2 3.62Å; W680-T684 HydrophobicContact CE3-CG2 3.95Å; W680-T684 HydrophobicContact CG-CG2 4.24Å; W680-T684 HydrophobicContact CH2-CG2 3.85Å; W680-T684 HydrophobicContact CZ2-CG2 3.44Å; W680-T684 VanDerWaalsContact CZ2-CG2 3.44Å; W680-T684 HydrophobicContact CZ3-CG2 4.08Å; W680-T684 WeakPolarHBondContact O-CG2 3.32Å; W680-T684 PolarHBondContact O-N 2.84Å; W680-T684 PolarHBondContact O-OG1 2.88Å; S681-T684 PolarHBondContact O-OG1 2.98Å; Q682-T684 VanDerWaalsContact C-N 3.26Å; Q682-T684 PolarHBondContact O-N 2.97Å; Q682-T684 VanDerWaalsContact O-N 3.15Å; T684-K688 WeakPolarHBondContact O-CB 3.48Å; T684-K688 PolarHBondContact O-N 3.46Å; T684-K688 VanDerWaalsContact O-N 3.17Å; T684-W736 HydrophobicContact CG2-CH2 3.7Å; T684-W736 HydrophobicContact CG2-CZ3 4.04Å
685	I	93.4	Very high	94.1	Very high	91 Å²	91	34 Å²	34	47%	0.467	18%	0.182	S	C	.	.	H	α-helix	trans	-71	-51.6	179.3	-65.1	167.3	0	0	0	108.7	S681 Q682 Y683 K688 L689	S681-I685 WeakPolarHBondContact O-CD1 3.5Å; S681-I685 WeakPolarHBondContact O-CG1 3.47Å; Q682-I685 WeakPolarHBondContact O-CB 3.24Å; Q682-I685 PolarHBondContact O-N 3.01Å; Y683-I685 VanDerWaalsContact C-N 3.3Å; Y683-I685 PolarHBondContact O-N 3.38Å; I685-K688 PolarHBondContact O-N 3.28Å; I685-L689 HydrophobicContact CG2-CD1 4.45Å; I685-L689 WeakPolarHBondContact O-CG 3.47Å; I685-L689 PolarHBondContact O-N 2.86Å
686	D	93.9	Very high	93.8	Very high	50 Å²	50	42 Å²	42	27%	0.267	22%	0.219	S	C	.	.	H	α-helix	trans	-71.6	-40.7	-176.4	-56.2	-41.4	0	0	0	111.8	Y617 F621 W640 Q682 K688 L689 A690	Y617-D686 VanDerWaalsContact CE1-OD2 3.23Å; Y617-D686 WeakPolarHBondContact CE1-OD2 3.3Å; Y617-D686 PolarHBondContact OH-OD2 3.23Å; F621-D686 HydrophobicContact CE2-CB 3.87Å; W640-D686 HydrophobicContact CH2-CB 3.95Å; W640-D686 HydrophobicContact CZ3-CB 4.16Å; Q682-D686 PolarHBondContact O-N 3.17Å; D686-K688 VanDerWaalsContact C-N 3.34Å; D686-K688 PolarHBondContact O-N 3.06Å; D686-L689 PolarHBondContact O-N 2.94Å; D686-A690 WeakPolarHBondContact O-CB 3.37Å; D686-A690 PolarHBondContact O-N 3.37Å
687	L	94.9	Very high	93.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-63.1	-39.8	175.9	176.9	65.1	0	0	0	111.6	W640 Y683 A690 L691 L708 V712 F737	W640-L687 HydrophobicContact CD2-CD1 3.81Å; W640-L687 HydrophobicContact CE3-CB 4.16Å; W640-L687 HydrophobicContact CE3-CD1 3.93Å; W640-L687 HydrophobicContact CG-CD1 4.05Å; W640-L687 HydrophobicContact CZ3-CB 4.08Å; Y683-L687 HydrophobicContact CD1-CB 4.48Å; Y683-L687 HydrophobicContact CD1-CD2 4.36Å; Y683-L687 HydrophobicContact CE1-CB 4.2Å; Y683-L687 HydrophobicContact CE1-CD2 3.53Å; Y683-L687 HydrophobicContact CE1-CG 4.4Å; Y683-L687 WeakPolarHBondContact O-CB 3.19Å; Y683-L687 PolarHBondContact O-N 3.37Å; L687-A690 PolarHBondContact O-N 2.99Å; L687-L691 HydrophobicContact CD1-CD1 3.96Å; L687-L691 HydrophobicContact CD1-CD2 4.42Å; L687-L691 HydrophobicContact CD1-CG 3.9Å; L687-L691 HydrophobicContact CD2-CD1 4.31Å; L687-L691 HydrophobicContact CG-CD1 3.83Å; L687-L691 HydrophobicContact CG-CG 4.2Å; L687-L691 WeakPolarHBondContact O-CB 3.15Å; L687-L691 VanDerWaalsContact O-CG 3.28Å; L687-L691 WeakPolarHBondContact O-CG 3.39Å; L687-L691 PolarHBondContact O-N 3.18Å; L687-L708 HydrophobicContact CD1-CD2 4.09Å; L687-V712 HydrophobicContact CD2-CG1 4.3Å; L687-V712 HydrophobicContact CD2-CG2 3.76Å; L687-F737 HydrophobicContact CD2-CZ 4.44Å
688	K	94.2	Very high	92.8	Very high	84 Å²	84	49.6 Å²	49.6	37%	0.365	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-50.1	179.2	178.3	-177.3	168.7	-175.9	0	110.9	T684 I685 D686 A690 L691 E692 W736	T684-K688 WeakPolarHBondContact O-CB 3.48Å; T684-K688 PolarHBondContact O-N 3.46Å; T684-K688 VanDerWaalsContact O-N 3.17Å; I685-K688 PolarHBondContact O-N 3.28Å; D686-K688 VanDerWaalsContact C-N 3.34Å; D686-K688 PolarHBondContact O-N 3.06Å; K688-A690 VanDerWaalsContact C-N 3.29Å; K688-A690 PolarHBondContact O-N 3.11Å; K688-L691 PolarHBondContact O-N 2.89Å; K688-E692 WeakPolarHBondContact CE-OE1 3.39Å; K688-E692 IonicContact NZ-OE1 2.91Å; K688-E692 WeakPolarHBondContact O-CG 3.4Å; K688-E692 PolarHBondContact O-N 2.96Å; K688-W736 HydrophobicContact CB-CD2 4.07Å; K688-W736 HydrophobicContact CB-CE3 4.13Å; K688-W736 HydrophobicContact CB-CZ3 4.42Å; K688-W736 HydrophobicContact CD-CZ2 4.48Å; K688-W736 HydrophobicContact CG-CD2 4.11Å; K688-W736 HydrophobicContact CG-CG 4.24Å
689	L	92.1	Very high	92.4	Very high	102 Å²	102	54.1 Å²	54.1	53%	0.534	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-41.1	178.1	-68.8	170.5	0	0	0	111.6	I685 D686 E692 E693	I685-L689 HydrophobicContact CG2-CD1 4.45Å; I685-L689 WeakPolarHBondContact O-CG 3.47Å; I685-L689 PolarHBondContact O-N 2.86Å; D686-L689 PolarHBondContact O-N 2.94Å; L689-E692 PolarHBondContact O-N 3.29Å; L689-E693 PolarHBondContact O-N 3.37Å; L689-E693 VanDerWaalsContact O-N 3.15Å
690	A	93	Very high	92.2	Very high	15 Å²	15	54.5 Å²	54.5	12%	0.124	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-43	175.7	0	0	0	0	0	112.6	W640 D686 L687 K688 E692 E693 H694	W640-A690 HydrophobicContact CH2-CB 3.97Å; W640-A690 HydrophobicContact CZ2-CB 3.23Å; D686-A690 WeakPolarHBondContact O-CB 3.37Å; D686-A690 PolarHBondContact O-N 3.37Å; L687-A690 PolarHBondContact O-N 2.99Å; K688-A690 VanDerWaalsContact C-N 3.29Å; K688-A690 PolarHBondContact O-N 3.11Å; A690-E692 VanDerWaalsContact C-N 3.28Å; A690-E692 PolarHBondContact O-N 3.49Å; A690-E693 PolarHBondContact O-N 2.95Å; A690-H694 WeakPolarHBondContact O-CB 3.43Å; A690-H694 PolarHBondContact O-CD2 3.41Å; A690-H694 PolarHBondContact O-N 2.85Å
691	L	94.3	Very high	91.9	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-31.6	176.9	-71.9	173.4	0	0	0	112.3	L687 K688 A695 L708 W736 F737 F740	L687-L691 HydrophobicContact CD1-CD1 3.96Å; L687-L691 HydrophobicContact CD1-CD2 4.42Å; L687-L691 HydrophobicContact CD1-CG 3.9Å; L687-L691 HydrophobicContact CD2-CD1 4.31Å; L687-L691 HydrophobicContact CG-CD1 3.83Å; L687-L691 HydrophobicContact CG-CG 4.2Å; L687-L691 WeakPolarHBondContact O-CB 3.15Å; L687-L691 VanDerWaalsContact O-CG 3.28Å; L687-L691 WeakPolarHBondContact O-CG 3.39Å; L687-L691 PolarHBondContact O-N 3.18Å; K688-L691 PolarHBondContact O-N 2.89Å; L691-A695 VanDerWaalsContact O-CB 3.26Å; L691-A695 WeakPolarHBondContact O-CB 3.28Å; L691-A695 PolarHBondContact O-N 3.43Å; L691-L708 HydrophobicContact CD2-CD2 4.41Å; L691-W736 HydrophobicContact CD1-CB 3.8Å; L691-W736 HydrophobicContact CD1-CE3 4.42Å; L691-F737 HydrophobicContact CD1-CD1 4.4Å; L691-F737 HydrophobicContact CD1-CD2 4.08Å; L691-F737 HydrophobicContact CD1-CE1 4.01Å; L691-F737 HydrophobicContact CD1-CE2 3.64Å; L691-F737 HydrophobicContact CD1-CG 4.45Å; L691-F737 HydrophobicContact CD1-CZ 3.61Å; L691-F737 HydrophobicContact CD2-CD1 4.4Å; L691-F737 HydrophobicContact CD2-CE1 3.95Å; L691-F737 HydrophobicContact CD2-CZ 4.27Å; L691-F740 HydrophobicContact CB-CE2 4.25Å; L691-F740 HydrophobicContact CD2-CD2 4.43Å; L691-F740 HydrophobicContact CD2-CE2 3.77Å; L691-F740 HydrophobicContact CD2-CZ 4.26Å; L691-F740 WeakPolarHBondContact O-CZ 3.27Å
692	E	92.3	Very high	91.8	Very high	97 Å²	97	61 Å²	61	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-48.5	170.9	-71.6	168.4	174.5	0	0	110.6	K688 L689 A690 A695 E696	K688-E692 WeakPolarHBondContact CE-OE1 3.39Å; K688-E692 IonicContact NZ-OE1 2.91Å; K688-E692 WeakPolarHBondContact O-CG 3.4Å; K688-E692 PolarHBondContact O-N 2.96Å; L689-E692 PolarHBondContact O-N 3.29Å; A690-E692 VanDerWaalsContact C-N 3.28Å; A690-E692 PolarHBondContact O-N 3.49Å; E692-A695 PolarHBondContact O-N 3.44Å; E692-E696 PolarHBondContact O-N 2.87Å
693	E	91.6	Very high	91.6	Very high	94 Å²	94	61.6 Å²	61.6	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-41.7	176.1	-165.7	-172.9	170.5	0	0	113.2	T634 L689 A690 A695 E696 Q697	T634-E693 VanDerWaalsContact CG2-CD 3.41Å; T634-E693 HydrophobicContact CG2-CG 3.82Å; T634-E693 VanDerWaalsContact CG2-OE1 3.28Å; T634-E693 WeakPolarHBondContact CG2-OE1 3.27Å; L689-E693 PolarHBondContact O-N 3.37Å; L689-E693 VanDerWaalsContact O-N 3.15Å; A690-E693 PolarHBondContact O-N 2.95Å; E693-A695 PolarHBondContact O-N 3.17Å; E693-E696 PolarHBondContact O-N 3.46Å; E693-Q697 PolarHBondContact O-N 2.75Å; E693-Q697 VanDerWaalsContact O-N 3.12Å; E693-Q697 PolarHBondContact OE1-NE2 3.26Å
694	H	93.7	Very high	91.6	Very high	5 Å²	5	64 Å²	64	2%	0.023	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-30.9	174.6	-87.2	-89.5	0	0	0	111.9	S633 T634 A690 E696 K698 Y705 F740	S633-H694 PolarHBondContact O-CE1 3.27Å; S633-H694 PolarHBondContact O-NE2 3.25Å; T634-H694 PolarHBondContact O-CE1 3.45Å; T634-H694 PolarHBondContact O-ND1 3.01Å; A690-H694 WeakPolarHBondContact O-CB 3.43Å; A690-H694 PolarHBondContact O-CD2 3.41Å; A690-H694 PolarHBondContact O-N 2.85Å; H694-E696 VanDerWaalsContact C-N 3.35Å; H694-K698 WeakPolarHBondContact O-CA 3.28Å; H694-K698 PolarHBondContact O-N 3.41Å; H694-Y705 HydrophobicContact CB-CE1 3.88Å; H694-Y705 AromaticContact CG-CE1 3.87Å; H694-Y705 AromaticContact ND1-CE1 3.5Å; H694-Y705 AromaticContact ND1-CZ 3.71Å; H694-Y705 PolarHBondContact ND1-OH 3.39Å; H694-F740 HydrophobicContact CB-CE1 4.02Å; H694-F740 HydrophobicContact CB-CZ 3.73Å
695	A	90	Very high	91.5	Very high	25 Å²	25	62.9 Å²	62.9	21%	0.207	30%	0.303	C	S	.	.	H	α-helix	trans	-74.2	-26	178.6	0	0	0	0	0	112.6	L691 E692 E693 K698 P739 F740	L691-A695 VanDerWaalsContact O-CB 3.26Å; L691-A695 WeakPolarHBondContact O-CB 3.28Å; L691-A695 PolarHBondContact O-N 3.43Å; E692-A695 PolarHBondContact O-N 3.44Å; E693-A695 PolarHBondContact O-N 3.17Å; A695-K698 WeakPolarHBondContact O-CE 3.46Å; A695-K698 WeakPolarHBondContact O-CG 3.1Å; A695-P739 HydrophobicContact CB-CB 4.23Å; A695-P739 HydrophobicContact CB-CG 4.32Å; A695-F740 HydrophobicContact CB-CE1 4.35Å; A695-F740 HydrophobicContact CB-CE2 4.38Å; A695-F740 HydrophobicContact CB-CZ 3.79Å
696	E	89.1	Confident	91.6	Very high	166 Å²	166	59.8 Å²	59.8	78%	0.776	29%	0.286	S	S	*	.	H	α-helix	trans	-75.6	-45.2	171	-64.8	-175.6	169.5	0	0	111.8	E692 E693 H694	E692-E696 PolarHBondContact O-N 2.87Å; E693-E696 PolarHBondContact O-N 3.46Å; H694-E696 VanDerWaalsContact C-N 3.35Å
697	Q	86.1	Confident	91.6	Very high	77 Å²	77	61.9 Å²	61.9	36%	0.36	30%	0.298	S	S	.	.	H	α-helix	trans	-90.8	-29.5	-171.2	-60.4	-178.3	29.2	0	0	114.8	T634 E693 K699	T634-Q697 VanDerWaalsContact CB-OE1 3.23Å; T634-Q697 PolarHBondContact OG1-OE1 3.39Å; E693-Q697 PolarHBondContact O-N 2.75Å; E693-Q697 VanDerWaalsContact O-N 3.12Å; E693-Q697 PolarHBondContact OE1-NE2 3.26Å; Q697-K699 VanDerWaalsContact C-N 3.34Å; Q697-K699 HydrophobicContact CB-CG 4.15Å; Q697-K699 PolarHBondContact O-N 3.12Å; Q697-K699 VanDerWaalsContact O-N 3.17Å
698	K	82.3	Confident	91.6	Very high	103 Å²	103	61.8 Å²	61.8	45%	0.448	30%	0.297	S	S	.	.			trans	47.2	40	174.6	-58.3	-170.4	178.7	-174.3	0	116.9	H694 A695	H694-K698 WeakPolarHBondContact O-CA 3.28Å; H694-K698 PolarHBondContact O-N 3.41Å; A695-K698 WeakPolarHBondContact O-CE 3.46Å; A695-K698 WeakPolarHBondContact O-CG 3.1Å
699	K	88.1	Confident	91.7	Very high	108 Å²	108	59.8 Å²	59.8	47%	0.47	29%	0.288	S	S	.	.			trans	-82.9	-33	-174.2	-54.5	179.4	-175.1	164.2	0	115.8	T634 D635 Q697	T634-K699 PolarHBondContact OG1-NZ 3.19Å; D635-K699 WeakPolarHBondContact OD1-CD 3.46Å; D635-K699 WeakPolarHBondContact OD1-CE 3.5Å; D635-K699 IonicContact OD1-NZ 2.63Å; D635-K699 PolarHBondContact OD1-NZ 3.26Å; Q697-K699 VanDerWaalsContact C-N 3.34Å; Q697-K699 HydrophobicContact CB-CG 4.15Å; Q697-K699 PolarHBondContact O-N 3.12Å; Q697-K699 VanDerWaalsContact O-N 3.17Å
700	C	90.4	Very high	91.8	Very high	9 Å²	9	60.6 Å²	60.6	6%	0.061	29%	0.287	C	S	.	.	S	Bend	trans	-74.3	162.5	177.8	-55.6	0	0	0	0	111.5	D635 S636 Y705	D635-C700 PolarHBondContact O-SG 3.43Å; S636-C700 VanDerWaalsContact CA-SG 3.59Å; S636-C700 PolarHBondContact N-SG 2.93Å; C700-Y705 HydrophobicContact CB-CD2 4.44Å; C700-Y705 HydrophobicContact CB-CE1 4.24Å; C700-Y705 HydrophobicContact CB-CE2 3.71Å; C700-Y705 WeakPolarHBondContact O-CE2 3.41Å
701	R	91.5	Very high	91.9	Very high	187 Å²	187	63.5 Å²	63.5	71%	0.706	30%	0.297	S	S	*	.			trans	-72	149.1	176.7	-54.3	175.1	176.6	-179.5	-0.8	110.4	S703 D704 Y705	R701-S703 WeakPolarHBondContact CB-OG 3.46Å; R701-S703 PolarHBondContact O-N 3.39Å; R701-D704 VanDerWaalsContact CB-OD2 3.28Å; R701-D704 WeakPolarHBondContact CB-OD2 3.38Å; R701-D704 PolarHBondContact N-OD2 3.37Å; R701-D704 VanDerWaalsContact N-OD2 3.11Å; R701-D704 WeakPolarHBondContact O-CB 3.45Å; R701-D704 PolarHBondContact O-N 2.93Å; R701-Y705 WeakPolarHBondContact O-CD2 3.29Å; R701-Y705 PolarHBondContact O-N 3.43Å
702	S	91.4	Very high	92	Very high	7 Å²	7	63.2 Å²	63.2	5%	0.049	30%	0.296	C	S	.	.	H	α-helix	trans	-52.2	-39.5	173.3	64.8	0	0	0	0	112.6	D704 Y705 M706 E747	S702-D704 PolarHBondContact O-N 3.23Å; S702-Y705 PolarHBondContact O-N 3.02Å; S702-M706 WeakPolarHBondContact O-CG 3.39Å; S702-M706 PolarHBondContact O-N 3.02Å; S702-E747 WeakPolarHBondContact CB-OE2 3.47Å; S702-E747 PolarHBondContact OG-OE2 2.97Å
703	S	91.5	Very high	92.2	Very high	45 Å²	45	62.4 Å²	62.4	32%	0.315	29%	0.291	S	S	.	.	H	α-helix	trans	-55	-36.1	174	55.3	0	0	0	0	113.7	R701 M706 N707	R701-S703 WeakPolarHBondContact CB-OG 3.46Å; R701-S703 PolarHBondContact O-N 3.39Å; S703-M706 PolarHBondContact O-N 2.96Å; S703-N707 WeakPolarHBondContact O-CB 3.43Å; S703-N707 PolarHBondContact O-N 2.98Å; S703-N707 PolarHBondContact O-ND2 3.37Å; S703-N707 VanDerWaalsContact O-ND2 3.17Å
704	D	94.2	Very high	92.4	Very high	49 Å²	49	63.2 Å²	63.2	26%	0.262	29%	0.29	S	S	.	.	H	α-helix	trans	-77.4	-38.9	-172.1	-48.1	-24.7	0	0	0	109.6	V637 R701 S702 N707 L708	V637-D704 HydrophobicContact CG2-CB 3.67Å; R701-D704 VanDerWaalsContact CB-OD2 3.28Å; R701-D704 WeakPolarHBondContact CB-OD2 3.38Å; R701-D704 PolarHBondContact N-OD2 3.37Å; R701-D704 VanDerWaalsContact N-OD2 3.11Å; R701-D704 WeakPolarHBondContact O-CB 3.45Å; R701-D704 PolarHBondContact O-N 2.93Å; S702-D704 PolarHBondContact O-N 3.23Å; D704-N707 PolarHBondContact O-N 3.01Å; D704-L708 WeakPolarHBondContact O-CB 3.42Å; D704-L708 PolarHBondContact O-N 3.39Å
705	Y	94.4	Very high	92.5	Very high	1 Å²	1	63 Å²	63	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-38.4	169.3	-61	-65.7	0	0	0	112.5	V637 H694 C700 R701 S702 L708 Y709 F740	V637-Y705 HydrophobicContact CG1-CD1 3.87Å; V637-Y705 HydrophobicContact CG1-CE1 3.77Å; H694-Y705 HydrophobicContact CB-CE1 3.88Å; H694-Y705 AromaticContact CG-CE1 3.87Å; H694-Y705 AromaticContact ND1-CE1 3.5Å; H694-Y705 AromaticContact ND1-CZ 3.71Å; H694-Y705 PolarHBondContact ND1-OH 3.39Å; C700-Y705 HydrophobicContact CB-CD2 4.44Å; C700-Y705 HydrophobicContact CB-CE1 4.24Å; C700-Y705 HydrophobicContact CB-CE2 3.71Å; C700-Y705 WeakPolarHBondContact O-CE2 3.41Å; R701-Y705 WeakPolarHBondContact O-CD2 3.29Å; R701-Y705 PolarHBondContact O-N 3.43Å; S702-Y705 PolarHBondContact O-N 3.02Å; Y705-L708 PolarHBondContact O-N 2.92Å; Y705-Y709 WeakPolarHBondContact O-CB 3.49Å; Y705-Y709 PolarHBondContact O-N 3.41Å; Y705-F740 AromaticContact CD1-CD1 3.71Å; Y705-F740 HydrophobicContact CD1-CD1 3.71Å; Y705-F740 HydrophobicContact CD1-CD2 4.38Å; Y705-F740 AromaticContact CD1-CE1 3.87Å; Y705-F740 HydrophobicContact CD1-CE1 3.87Å; Y705-F740 AromaticContact CD1-CG 3.97Å; Y705-F740 HydrophobicContact CD1-CG 3.97Å; Y705-F740 HydrophobicContact CD1-CZ 4.28Å; Y705-F740 HydrophobicContact CD2-CB 4.09Å; Y705-F740 AromaticContact CD2-CD1 3.42Å; Y705-F740 HydrophobicContact CD2-CD1 3.42Å; Y705-F740 VanDerWaalsContact CD2-CD1 3.42Å; Y705-F740 HydrophobicContact CD2-CE1 4.13Å; Y705-F740 AromaticContact CD2-CG 3.97Å; Y705-F740 HydrophobicContact CD2-CG 3.97Å; Y705-F740 AromaticContact CE1-CD1 3.81Å; Y705-F740 HydrophobicContact CE1-CD1 3.81Å; Y705-F740 AromaticContact CE1-CE1 3.55Å; Y705-F740 HydrophobicContact CE1-CE1 3.55Å; Y705-F740 HydrophobicContact CE1-CG 4.48Å; Y705-F740 HydrophobicContact CE1-CZ 4.05Å; Y705-F740 AromaticContact CE2-CD1 3.5Å; Y705-F740 HydrophobicContact CE2-CD1 3.5Å; Y705-F740 VanDerWaalsContact CE2-CD1 3.5Å; Y705-F740 AromaticContact CE2-CE1 3.8Å; Y705-F740 HydrophobicContact CE2-CE1 3.8Å; Y705-F740 HydrophobicContact CE2-CG 4.46Å; Y705-F740 HydrophobicContact CG-CB 3.88Å; Y705-F740 AromaticContact CG-CD1 3.52Å; Y705-F740 HydrophobicContact CG-CD1 3.52Å; Y705-F740 HydrophobicContact CG-CD2 4.46Å; Y705-F740 HydrophobicContact CG-CE1 4.15Å; Y705-F740 AromaticContact CG-CG 3.69Å; Y705-F740 HydrophobicContact CG-CG 3.69Å; Y705-F740 AromaticContact CZ-CD1 3.69Å; Y705-F740 AromaticContact CZ-CE1 3.49Å; Y705-F740 VanDerWaalsContact CZ-CE1 3.49Å
706	M	93.9	Very high	92.7	Very high	25 Å²	25	62.1 Å²	62.1	12%	0.123	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-42.4	174.7	-69	-59.1	-70.7	0	0	111.7	S702 S703 L708 Y709 F710 V741 W744	S702-M706 WeakPolarHBondContact O-CG 3.39Å; S702-M706 PolarHBondContact O-N 3.02Å; S703-M706 PolarHBondContact O-N 2.96Å; M706-L708 VanDerWaalsContact C-N 3.35Å; M706-L708 PolarHBondContact O-N 3.17Å; M706-Y709 WeakPolarHBondContact O-CB 3.28Å; M706-Y709 PolarHBondContact O-N 3.35Å; M706-F710 HydrophobicContact CE-CE2 4.19Å; M706-F710 WeakPolarHBondContact O-CD2 3.24Å; M706-F710 PolarHBondContact O-N 3.26Å; M706-V741 HydrophobicContact SD-CB 4.46Å; M706-V741 HydrophobicContact SD-CG2 3.81Å; M706-W744 HydrophobicContact CG-CB 4.05Å; M706-W744 HydrophobicContact CG-CD2 4.3Å; M706-W744 HydrophobicContact CG-CG 3.76Å; M706-W744 HydrophobicContact SD-CB 4.3Å; M706-W744 HydrophobicContact SD-CG 4.34Å
707	N	94.7	Very high	93	Very high	94 Å²	94	58.2 Å²	58.2	50%	0.503	26%	0.264	S	S	.	.	H	α-helix	trans	-60.8	-43.7	173.7	-72.5	-28.5	0	0	0	111.5	S703 D704 F710 K711	S703-N707 WeakPolarHBondContact O-CB 3.43Å; S703-N707 PolarHBondContact O-N 2.98Å; S703-N707 PolarHBondContact O-ND2 3.37Å; S703-N707 VanDerWaalsContact O-ND2 3.17Å; D704-N707 PolarHBondContact O-N 3.01Å; N707-F710 PolarHBondContact O-N 3.43Å; N707-K711 WeakPolarHBondContact O-CB 3.44Å; N707-K711 PolarHBondContact O-N 3.48Å
708	L	95.3	Very high	93.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-46.3	174.4	-177.9	60.4	0	0	0	111.6	V637 W640 L687 L691 D704 Y705 M706 F710 K711 V712 F737	V637-L708 HydrophobicContact CB-CD2 4.19Å; V637-L708 HydrophobicContact CG1-CD2 4.23Å; W640-L708 HydrophobicContact CB-CD1 3.58Å; W640-L708 HydrophobicContact CB-CD2 4.09Å; W640-L708 HydrophobicContact CG-CD2 4.35Å; L687-L708 HydrophobicContact CD1-CD2 4.09Å; L691-L708 HydrophobicContact CD2-CD2 4.41Å; D704-L708 WeakPolarHBondContact O-CB 3.42Å; D704-L708 PolarHBondContact O-N 3.39Å; Y705-L708 PolarHBondContact O-N 2.92Å; M706-L708 VanDerWaalsContact C-N 3.35Å; M706-L708 PolarHBondContact O-N 3.17Å; L708-F710 PolarHBondContact O-N 3.17Å; L708-K711 PolarHBondContact O-N 3.48Å; L708-K711 VanDerWaalsContact O-N 3.11Å; L708-V712 HydrophobicContact CD1-CG2 4.02Å; L708-V712 HydrophobicContact CG-CG2 4.26Å; L708-V712 VanDerWaalsContact O-CG2 3.3Å; L708-V712 WeakPolarHBondContact O-CG2 3.47Å; L708-V712 PolarHBondContact O-N 2.92Å; L708-F737 HydrophobicContact CB-CE1 4.24Å; L708-F737 HydrophobicContact CD2-CE1 4.12Å; L708-F737 HydrophobicContact CD2-CZ 4.23Å; L708-F737 HydrophobicContact CG-CE1 4.02Å; L708-F737 HydrophobicContact CG-CZ 4Å
709	Y	95.6	Very high	93.9	Very high	42 Å²	42	56.4 Å²	56.4	17%	0.165	26%	0.259	C	S	.	.	H	α-helix	trans	-54.8	-48.7	175.5	168.3	-101.7	0	0	0	111.8	Y705 M706 K711 V712 K713 F733 P734 F737	Y705-Y709 WeakPolarHBondContact O-CB 3.49Å; Y705-Y709 PolarHBondContact O-N 3.41Å; M706-Y709 WeakPolarHBondContact O-CB 3.28Å; M706-Y709 PolarHBondContact O-N 3.35Å; Y709-K711 VanDerWaalsContact C-N 3.32Å; Y709-K711 PolarHBondContact O-N 3.31Å; Y709-V712 PolarHBondContact O-N 3.26Å; Y709-K713 HydrophobicContact CE1-CD 4.11Å; Y709-K713 VanDerWaalsContact O-CB 3.24Å; Y709-K713 WeakPolarHBondContact O-CB 3.41Å; Y709-K713 PolarHBondContact O-N 2.92Å; Y709-F733 HydrophobicContact CD2-CE2 4.32Å; Y709-F733 HydrophobicContact CE2-CE2 4.02Å; Y709-P734 HydrophobicContact CE2-CB 4.15Å; Y709-F737 HydrophobicContact CD2-CB 3.91Å; Y709-F737 HydrophobicContact CD2-CD1 4.38Å; Y709-F737 AromaticContact CD2-CD2 3.77Å; Y709-F737 HydrophobicContact CD2-CD2 3.77Å; Y709-F737 HydrophobicContact CD2-CE2 4.38Å; Y709-F737 AromaticContact CD2-CG 3.76Å; Y709-F737 HydrophobicContact CD2-CG 3.76Å; Y709-F737 HydrophobicContact CG-CD1 4.49Å; Y709-F737 HydrophobicContact CG-CG 4.29Å
710	F	95	Very high	94.3	Very high	118 Å²	118	51.2 Å²	51.2	52%	0.518	24%	0.237	S	C	.	.	H	α-helix	trans	-63.9	-36.8	177.2	-76.4	-63.4	0	0	0	112.3	M706 N707 L708 W714	M706-F710 HydrophobicContact CE-CE2 4.19Å; M706-F710 WeakPolarHBondContact O-CD2 3.24Å; M706-F710 PolarHBondContact O-N 3.26Å; N707-F710 PolarHBondContact O-N 3.43Å; L708-F710 PolarHBondContact O-N 3.17Å; F710-W714 VanDerWaalsContact O-CB 3.27Å; F710-W714 WeakPolarHBondContact O-CB 3.22Å; F710-W714 PolarHBondContact O-N 3.11Å
711	K	95.6	Very high	94.4	Very high	76 Å²	76	52.4 Å²	52.4	33%	0.33	25%	0.245	S	C	.	.	H	α-helix	trans	-68.3	-42.6	177.4	-167.1	66.6	176.8	177.9	0	112.4	I644 N707 L708 Y709 W714 Y715	I644-K711 HydrophobicContact CD1-CB 4.34Å; I644-K711 HydrophobicContact CD1-CG 3.78Å; I644-K711 HydrophobicContact CG2-CG 4.3Å; N707-K711 WeakPolarHBondContact O-CB 3.44Å; N707-K711 PolarHBondContact O-N 3.48Å; L708-K711 PolarHBondContact O-N 3.48Å; L708-K711 VanDerWaalsContact O-N 3.11Å; Y709-K711 VanDerWaalsContact C-N 3.32Å; Y709-K711 PolarHBondContact O-N 3.31Å; K711-W714 PolarHBondContact O-N 3.1Å; K711-Y715 PolarHBondContact O-N 3.28Å
712	V	96.2	Very high	94.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-45.5	174.9	173.9	0	0	0	0	110.7	I644 W680 Y683 L687 L708 Y709 W714 Y715 Y716 F733 F737	I644-V712 HydrophobicContact CD1-CG2 3.94Å; W680-V712 HydrophobicContact CH2-CG1 3.92Å; W680-V712 HydrophobicContact CZ3-CG1 3.98Å; Y683-V712 HydrophobicContact CE1-CG2 4.22Å; L687-V712 HydrophobicContact CD2-CG1 4.3Å; L687-V712 HydrophobicContact CD2-CG2 3.76Å; L708-V712 HydrophobicContact CD1-CG2 4.02Å; L708-V712 HydrophobicContact CG-CG2 4.26Å; L708-V712 VanDerWaalsContact O-CG2 3.3Å; L708-V712 WeakPolarHBondContact O-CG2 3.47Å; L708-V712 PolarHBondContact O-N 2.92Å; Y709-V712 PolarHBondContact O-N 3.26Å; V712-W714 PolarHBondContact O-N 3.32Å; V712-Y715 PolarHBondContact O-N 2.86Å; V712-Y716 WeakPolarHBondContact O-CB 3.28Å; V712-Y716 PolarHBondContact O-N 2.79Å; V712-F733 HydrophobicContact CG1-CD2 3.59Å; V712-F733 HydrophobicContact CG1-CE2 3.97Å; V712-F733 HydrophobicContact CG1-CG 4.01Å; V712-F737 HydrophobicContact CG2-CZ 4.19Å
713	K	94.8	Very high	94.4	Very high	80 Å²	80	49 Å²	49	35%	0.348	24%	0.24	S	C	.	.	H	α-helix	trans	-59.9	-43.3	175	-178.7	176.4	-176.8	172.5	0	112.3	Y709 N717 F733	Y709-K713 HydrophobicContact CE1-CD 4.11Å; Y709-K713 VanDerWaalsContact O-CB 3.24Å; Y709-K713 WeakPolarHBondContact O-CB 3.41Å; Y709-K713 PolarHBondContact O-N 2.92Å; K713-N717 WeakPolarHBondContact O-CB 3.39Å; K713-N717 VanDerWaalsContact O-CG 3.27Å; K713-N717 PolarHBondContact O-N 3.45Å; K713-N717 PolarHBondContact O-OD1 3.29Å; K713-F733 HydrophobicContact CB-CE2 4.01Å; K713-F733 HydrophobicContact CB-CZ 3.91Å; K713-F733 HydrophobicContact CG-CZ 4.24Å
714	W	96.4	Very high	94.1	Very high	111 Å²	111	51.6 Å²	51.6	42%	0.42	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175.1	178.1	92.1	0	0	0	111.3	I648 F710 K711 V712 Y716 N717 N718 Y719	I648-W714 HydrophobicContact CD1-CH2 4.26Å; I648-W714 HydrophobicContact CD1-CZ3 3.67Å; F710-W714 VanDerWaalsContact O-CB 3.27Å; F710-W714 WeakPolarHBondContact O-CB 3.22Å; F710-W714 PolarHBondContact O-N 3.11Å; K711-W714 PolarHBondContact O-N 3.1Å; V712-W714 PolarHBondContact O-N 3.32Å; W714-Y716 PolarHBondContact O-N 2.77Å; W714-N717 PolarHBondContact O-N 3.38Å; W714-N718 PolarHBondContact NE1-ND2 3.26Å; W714-N718 WeakPolarHBondContact O-CB 3.28Å; W714-N718 PolarHBondContact O-N 3.21Å; W714-N718 PolarHBondContact O-ND2 3.45Å; W714-Y719 AromaticContact CH2-CE2 3.9Å; W714-Y719 HydrophobicContact CH2-CE2 3.9Å; W714-Y719 AromaticContact CZ3-CE2 3.99Å; W714-Y719 HydrophobicContact CZ3-CE2 3.99Å
715	Y	95.9	Very high	93.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-49.7	177.5	174	-84.5	0	0	0	111.4	I644 M647 I648 I651 W680 K711 V712 N717 N718 Y719 V720	I644-Y715 HydrophobicContact CG2-CD2 3.98Å; I644-Y715 HydrophobicContact CG2-CG 4.45Å; M647-Y715 HydrophobicContact CB-CE2 4.41Å; M647-Y715 HydrophobicContact CE-CE1 4.23Å; M647-Y715 HydrophobicContact CE-CE2 4.07Å; M647-Y715 WeakPolarHBondContact CE-OH 3.35Å; I648-Y715 HydrophobicContact CD1-CD2 4.31Å; I648-Y715 HydrophobicContact CG1-CD2 3.94Å; I648-Y715 HydrophobicContact CG1-CE2 4.07Å; I651-Y715 HydrophobicContact CD1-CE2 3.95Å; I651-Y715 WeakPolarHBondContact CD1-OH 3.27Å; W680-Y715 HydrophobicContact CB-CE1 4.19Å; W680-Y715 HydrophobicContact CD2-CE1 4.29Å; W680-Y715 AromaticContact CE3-CD1 3.63Å; W680-Y715 HydrophobicContact CE3-CD1 3.63Å; W680-Y715 AromaticContact CE3-CE1 3.52Å; W680-Y715 HydrophobicContact CE3-CE1 3.52Å; W680-Y715 AromaticContact CZ3-CD1 3.91Å; W680-Y715 HydrophobicContact CZ3-CD1 3.91Å; W680-Y715 HydrophobicContact CZ3-CE1 4.27Å; K711-Y715 PolarHBondContact O-N 3.28Å; V712-Y715 PolarHBondContact O-N 2.86Å; Y715-N717 PolarHBondContact O-N 3.14Å; Y715-N718 PolarHBondContact O-N 3.37Å; Y715-Y719 HydrophobicContact CD2-CD2 4.09Å; Y715-Y719 HydrophobicContact CE2-CD2 4.35Å; Y715-Y719 WeakPolarHBondContact O-CB 3.43Å; Y715-Y719 PolarHBondContact O-N 3.05Å; Y715-V720 HydrophobicContact CD1-CG2 4.22Å; Y715-V720 HydrophobicContact CE1-CG2 3.69Å
716	Y	95.5	Very high	93.6	Very high	7 Å²	7	56.3 Å²	56.3	3%	0.027	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-48.4	179.5	179.6	-94.1	0	0	0	111.8	W680 V712 W714 N718 V720 S721 Y726 P731 F733	W680-Y716 HydrophobicContact CD2-CD2 4.24Å; W680-Y716 AromaticContact CE2-CD2 3.57Å; W680-Y716 AromaticContact CH2-CD2 3.83Å; W680-Y716 HydrophobicContact CH2-CD2 3.83Å; W680-Y716 HydrophobicContact CH2-CG 4.29Å; W680-Y716 AromaticContact CZ2-CD2 3.35Å; W680-Y716 HydrophobicContact CZ2-CD2 3.35Å; W680-Y716 AromaticContact CZ2-CE2 3.99Å; W680-Y716 HydrophobicContact CZ2-CE2 3.99Å; W680-Y716 HydrophobicContact CZ2-CG 4.22Å; W680-Y716 HydrophobicContact CZ3-CD2 4.45Å; V712-Y716 WeakPolarHBondContact O-CB 3.28Å; V712-Y716 PolarHBondContact O-N 2.79Å; W714-Y716 PolarHBondContact O-N 2.77Å; Y716-N718 PolarHBondContact O-N 3.45Å; Y716-V720 HydrophobicContact CD2-CB 3.68Å; Y716-V720 HydrophobicContact CD2-CG1 3.71Å; Y716-V720 HydrophobicContact CD2-CG2 4.34Å; Y716-V720 HydrophobicContact CE2-CB 4Å; Y716-V720 HydrophobicContact CE2-CG1 3.6Å; Y716-V720 HydrophobicContact CG-CB 4.3Å; Y716-V720 CarbonylContact O-C 3.56Å; Y716-V720 WeakPolarHBondContact O-CA 3.35Å; Y716-V720 WeakPolarHBondContact O-CB 3.46Å; Y716-V720 PolarHBondContact O-N 3.18Å; Y716-S721 PolarHBondContact O-N 3.07Å; Y716-Y726 HydrophobicContact CE2-CD1 4.49Å; Y716-P731 HydrophobicContact CD1-CB 4.45Å; Y716-P731 HydrophobicContact CD1-CG 4.16Å; Y716-P731 HydrophobicContact CE1-CB 3.93Å; Y716-P731 HydrophobicContact CE1-CG 3.41Å; Y716-P731 VanDerWaalsContact CE1-CG 3.41Å; Y716-P731 HydrophobicContact CE2-CB 4.41Å; Y716-F733 AromaticContact CD1-CE1 3.92Å; Y716-F733 HydrophobicContact CD1-CE1 3.92Å; Y716-F733 HydrophobicContact CD2-CD1 4.48Å; Y716-F733 HydrophobicContact CD2-CE1 4.32Å; Y716-F733 HydrophobicContact CG-CD1 4.34Å; Y716-F733 AromaticContact CG-CE1 3.76Å; Y716-F733 HydrophobicContact CG-CE1 3.76Å
717	N	94	Very high	93.4	Very high	83 Å²	83	61 Å²	61	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-33.4	-178.7	-73.1	6.5	0	0	0	113.6	K713 W714 Y715 S721	K713-N717 WeakPolarHBondContact O-CB 3.39Å; K713-N717 VanDerWaalsContact O-CG 3.27Å; K713-N717 PolarHBondContact O-N 3.45Å; K713-N717 PolarHBondContact O-OD1 3.29Å; W714-N717 PolarHBondContact O-N 3.38Å; Y715-N717 PolarHBondContact O-N 3.14Å; N717-S721 PolarHBondContact O-OG 3.01Å
718	N	94.1	Very high	93	Very high	97 Å²	97	60.4 Å²	60.4	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-87.3	-28.8	-177	-74.3	-93.5	0	0	0	113.3	W714 Y715 Y716	W714-N718 PolarHBondContact NE1-ND2 3.26Å; W714-N718 WeakPolarHBondContact O-CB 3.28Å; W714-N718 PolarHBondContact O-N 3.21Å; W714-N718 PolarHBondContact O-ND2 3.45Å; Y715-N718 PolarHBondContact O-N 3.37Å; Y716-N718 PolarHBondContact O-N 3.45Å
719	Y	94.5	Very high	92.7	Very high	45 Å²	45	64 Å²	64	18%	0.176	34%	0.341	C	S	.	.	H	α-helix	trans	-119.9	-19.3	-170.9	-68	-80.5	0	0	0	115	I648 I651 E652 A676 W714 Y715 I723	I648-Y719 HydrophobicContact CD1-CE2 4.47Å; I648-Y719 HydrophobicContact CG1-CE2 4.01Å; I648-Y719 HydrophobicContact CG2-CE2 4.47Å; I651-Y719 HydrophobicContact CG2-CD1 3.87Å; I651-Y719 HydrophobicContact CG2-CE1 4.16Å; E652-Y719 PolarHBondContact OE1-OH 3.49Å; A676-Y719 VanDerWaalsContact CB-O 3.31Å; A676-Y719 WeakPolarHBondContact CB-O 3.33Å; W714-Y719 AromaticContact CH2-CE2 3.9Å; W714-Y719 HydrophobicContact CH2-CE2 3.9Å; W714-Y719 AromaticContact CZ3-CE2 3.99Å; W714-Y719 HydrophobicContact CZ3-CE2 3.99Å; Y715-Y719 HydrophobicContact CD2-CD2 4.09Å; Y715-Y719 HydrophobicContact CE2-CD2 4.35Å; Y715-Y719 WeakPolarHBondContact O-CB 3.43Å; Y715-Y719 PolarHBondContact O-N 3.05Å; Y719-I723 WeakPolarHBondContact O-CD1 3.46Å
720	V	94.8	Very high	92.3	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-39.9	-167.4	-173.2	0	0	0	0	113.1	W680 Y715 Y716 D722 I723 Y726	W680-V720 HydrophobicContact CB-CG1 4.36Å; W680-V720 HydrophobicContact CB-CG2 3.78Å; W680-V720 HydrophobicContact CD2-CG1 4.37Å; W680-V720 HydrophobicContact CD2-CG2 4.04Å; W680-V720 HydrophobicContact CE3-CG2 4.38Å; W680-V720 HydrophobicContact CG-CB 4.47Å; W680-V720 HydrophobicContact CG-CG1 3.88Å; W680-V720 HydrophobicContact CG-CG2 3.79Å; Y715-V720 HydrophobicContact CD1-CG2 4.22Å; Y715-V720 HydrophobicContact CE1-CG2 3.69Å; Y716-V720 HydrophobicContact CD2-CB 3.68Å; Y716-V720 HydrophobicContact CD2-CG1 3.71Å; Y716-V720 HydrophobicContact CD2-CG2 4.34Å; Y716-V720 HydrophobicContact CE2-CB 4Å; Y716-V720 HydrophobicContact CE2-CG1 3.6Å; Y716-V720 HydrophobicContact CG-CB 4.3Å; Y716-V720 CarbonylContact O-C 3.56Å; Y716-V720 WeakPolarHBondContact O-CA 3.35Å; Y716-V720 WeakPolarHBondContact O-CB 3.46Å; Y716-V720 PolarHBondContact O-N 3.18Å; V720-D722 PolarHBondContact O-N 3.19Å; V720-I723 PolarHBondContact O-N 2.8Å; V720-Y726 HydrophobicContact CG1-CD1 4.32Å; V720-Y726 HydrophobicContact CG1-CD2 3.4Å; V720-Y726 VanDerWaalsContact CG1-CD2 3.4Å; V720-Y726 HydrophobicContact CG1-CE2 3.85Å; V720-Y726 HydrophobicContact CG1-CG 3.67Å
721	S	92.6	Very high	91.9	Very high	33 Å²	33	66 Å²	66	23%	0.231	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.2	-167.3	60.1	0	0	0	0	115.5	Y716 N717 K727	Y716-S721 PolarHBondContact O-N 3.07Å; N717-S721 PolarHBondContact O-OG 3.01Å; S721-K727 VanDerWaalsContact O-CA 3.28Å; S721-K727 WeakPolarHBondContact O-CA 3.44Å
722	D	91.9	Very high	91.6	Very high	106 Å²	106	69.6 Å²	69.6	57%	0.567	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-2.8	177.4	-90.8	-55.2	0	0	0	114.5	V720 K727	V720-D722 PolarHBondContact O-N 3.19Å; D722-K727 IonicContact OD1-NZ 2.7Å; D722-K727 PolarHBondContact OD1-NZ 2.99Å
723	I	90.5	Very high	91.5	Very high	18 Å²	18	69.9 Å²	69.9	9%	0.092	38%	0.38	C	S	.	.	S	Bend	trans	-97.2	127.9	-174.5	-53.9	-176.3	0	0	0	110.2	Q673 A676 A677 Y719 V720 Y726 K727	Q673-I723 HydrophobicContact CB-CD1 3.97Å; Q673-I723 HydrophobicContact CB-CG2 4.39Å; Q673-I723 HydrophobicContact CG-CD1 4.1Å; Q673-I723 HydrophobicContact CG-CG1 4.4Å; A676-I723 HydrophobicContact CB-CD1 3.83Å; A677-I723 HydrophobicContact CB-CG2 4.31Å; Y719-I723 WeakPolarHBondContact O-CD1 3.46Å; V720-I723 PolarHBondContact O-N 2.8Å; I723-Y726 WeakPolarHBondContact O-CA 3.33Å; I723-Y726 WeakPolarHBondContact O-CB 3.4Å; I723-Y726 PolarHBondContact O-N 2.98Å; I723-K727 PolarHBondContact O-N 2.93Å
724	P	86.5	Confident	91.3	Very high	99 Å²	99	68.2 Å²	68.2	64%	0.643	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	134.6	170.4	-23	34.3	0	0	0	111.7
725	P	88	Confident	90.8	Very high	97 Å²	97	64.9 Å²	64.9	63%	0.63	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.3	4.7	11.5	37.7	-37.4	0	0	0	115.3	T729	P725-T729 WeakPolarHBondContact O-CG2 3.4Å
726	Y	90.9	Very high	90.7	Very high	51 Å²	51	66.9 Å²	66.9	20%	0.2	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.2	-176.3	-53.3	-70.7	0	0	0	113.8	A677 W680 Y716 V720 I723 G728 T729	A677-Y726 HydrophobicContact CB-CE2 4.21Å; W680-Y726 AromaticContact CD1-CE1 3.91Å; W680-Y726 AromaticContact CD1-CZ 3.63Å; W680-Y726 AromaticContact NE1-CE1 3.9Å; Y716-Y726 HydrophobicContact CE2-CD1 4.49Å; V720-Y726 HydrophobicContact CG1-CD1 4.32Å; V720-Y726 HydrophobicContact CG1-CD2 3.4Å; V720-Y726 VanDerWaalsContact CG1-CD2 3.4Å; V720-Y726 HydrophobicContact CG1-CE2 3.85Å; V720-Y726 HydrophobicContact CG1-CG 3.67Å; I723-Y726 WeakPolarHBondContact O-CA 3.33Å; I723-Y726 WeakPolarHBondContact O-CB 3.4Å; I723-Y726 PolarHBondContact O-N 2.98Å; Y726-G728 PolarHBondContact O-N 3.09Å; Y726-T729 PolarHBondContact O-N 3.28Å; Y726-T729 VanDerWaalsContact O-N 3.11Å; Y726-T729 PolarHBondContact O-OG1 3.31Å; Y726-T729 VanDerWaalsContact O-OG1 3.06Å
727	K	89.2	Confident	90.6	Very high	123 Å²	123	66.7 Å²	66.7	54%	0.535	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	111.8	-179.2	-167.7	179.7	-175.4	105.1	0	112.1	S721 D722 I723	S721-K727 VanDerWaalsContact O-CA 3.28Å; S721-K727 WeakPolarHBondContact O-CA 3.44Å; D722-K727 IonicContact OD1-NZ 2.7Å; D722-K727 PolarHBondContact OD1-NZ 2.99Å; I723-K727 PolarHBondContact O-N 2.93Å
728	G	86.2	Confident	90.2	Very high	83 Å²	83	67.5 Å²	67.5	86%	0.856	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	7	178.7	0	0	0	0	0	115.3	Y726	Y726-G728 PolarHBondContact O-N 3.09Å
729	T	89	Confident	89.9	Confident	74 Å²	74	65.3 Å²	65.3	45%	0.454	38%	0.379	S	S	.	.	S	Bend	trans	-93.6	156.8	174	65.8	0	0	0	0	111.7	P725 Y726	P725-T729 WeakPolarHBondContact O-CG2 3.4Å; Y726-T729 PolarHBondContact O-N 3.28Å; Y726-T729 VanDerWaalsContact O-N 3.11Å; Y726-T729 PolarHBondContact O-OG1 3.31Å; Y726-T729 VanDerWaalsContact O-OG1 3.06Å
730	I	85.9	Confident	89.8	Confident	159 Å²	159	63.2 Å²	63.2	82%	0.815	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-77.4	123.9	174.2	-60.3	175.4	0	0	0	107.8
731	P	88.4	Confident	89.5	Confident	44 Å²	44	65.3 Å²	65.3	29%	0.286	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-69.6	135.7	-178.7	-16.6	30.7	0	0	0	111.3	Y716 F733 P734	Y716-P731 HydrophobicContact CD1-CB 4.45Å; Y716-P731 HydrophobicContact CD1-CG 4.16Å; Y716-P731 HydrophobicContact CE1-CB 3.93Å; Y716-P731 HydrophobicContact CE1-CG 3.41Å; Y716-P731 VanDerWaalsContact CE1-CG 3.41Å; Y716-P731 HydrophobicContact CE2-CB 4.41Å; P731-F733 HydrophobicContact CB-CD1 3.67Å; P731-F733 HydrophobicContact CB-CE1 3.58Å; P731-F733 HydrophobicContact CG-CE1 4.31Å; P731-P734 WeakPolarHBondContact O-CD 3.42Å
732	E	88.9	Confident	89	Confident	152 Å²	152	68.5 Å²	68.5	71%	0.71	40%	0.396	S	S	*	.	S	Bend	trans	-76	-30.9	179	-63.7	-177.2	-179.3	0	0	113.3	P734 G735 W736	E732-P734 WeakPolarHBondContact O-CD 3.26Å; E732-G735 PolarHBondContact O-N 3.24Å; E732-W736 HydrophobicContact CB-CZ2 4Å
733	F	92.6	Very high	88.7	Confident	5 Å²	5	65.2 Å²	65.2	2%	0.022	38%	0.377	C	S	.	.	H	α-helix	trans	-56.2	-33.4	-170.6	80.5	-93.7	0	0	0	116	W680 Y709 V712 K713 Y716 P731 G735 W736 F737	W680-F733 HydrophobicContact CH2-CB 4.18Å; W680-F733 AromaticContact CH2-CD1 3.72Å; W680-F733 HydrophobicContact CH2-CD1 3.72Å; W680-F733 HydrophobicContact CH2-CE1 4.4Å; W680-F733 HydrophobicContact CH2-CG 4.01Å; W680-F733 HydrophobicContact CZ2-CB 4.39Å; W680-F733 AromaticContact CZ2-CD1 3.87Å; W680-F733 HydrophobicContact CZ2-CD1 3.87Å; W680-F733 HydrophobicContact CZ2-CG 4.41Å; Y709-F733 HydrophobicContact CD2-CE2 4.32Å; Y709-F733 HydrophobicContact CE2-CE2 4.02Å; V712-F733 HydrophobicContact CG1-CD2 3.59Å; V712-F733 HydrophobicContact CG1-CE2 3.97Å; V712-F733 HydrophobicContact CG1-CG 4.01Å; K713-F733 HydrophobicContact CB-CE2 4.01Å; K713-F733 HydrophobicContact CB-CZ 3.91Å; K713-F733 HydrophobicContact CG-CZ 4.24Å; Y716-F733 AromaticContact CD1-CE1 3.92Å; Y716-F733 HydrophobicContact CD1-CE1 3.92Å; Y716-F733 HydrophobicContact CD2-CD1 4.48Å; Y716-F733 HydrophobicContact CD2-CE1 4.32Å; Y716-F733 HydrophobicContact CG-CD1 4.34Å; Y716-F733 AromaticContact CG-CE1 3.76Å; Y716-F733 HydrophobicContact CG-CE1 3.76Å; P731-F733 HydrophobicContact CB-CD1 3.67Å; P731-F733 HydrophobicContact CB-CE1 3.58Å; P731-F733 HydrophobicContact CG-CE1 4.31Å; F733-G735 PolarHBondContact O-N 3.07Å; F733-W736 HydrophobicContact CB-CD2 4.26Å; F733-W736 HydrophobicContact CB-CE3 3.73Å; F733-W736 HydrophobicContact CB-CH2 3.72Å; F733-W736 HydrophobicContact CB-CZ2 4.26Å; F733-W736 HydrophobicContact CB-CZ3 3.44Å; F733-W736 VanDerWaalsContact CB-CZ3 3.44Å; F733-W736 PolarHBondContact O-N 2.97Å; F733-W736 VanDerWaalsContact O-N 3.12Å; F733-F737 HydrophobicContact CD2-CD2 4.46Å; F733-F737 HydrophobicContact CD2-CE2 4.34Å; F733-F737 WeakPolarHBondContact O-CD2 3.36Å
734	P	91	Very high	88.7	Confident	45 Å²	45	68.1 Å²	68.1	29%	0.292	39%	0.387	S	S	.	.	H	α-helix	trans	-60.4	-27.5	176.9	-22.8	36	0	0	0	112.8	Y709 P731 E732 W736 F737	Y709-P734 HydrophobicContact CE2-CB 4.15Å; P731-P734 WeakPolarHBondContact O-CD 3.42Å; E732-P734 WeakPolarHBondContact O-CD 3.26Å; P734-W736 VanDerWaalsContact C-N 3.3Å; P734-W736 PolarHBondContact O-N 2.82Å; P734-F737 PolarHBondContact O-N 3.22Å
735	G	86.5	Confident	88.4	Confident	41 Å²	41	65 Å²	65	42%	0.423	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-34.7	176.3	0	0	0	0	0	113.2	E732 F733 F737 I738	E732-G735 PolarHBondContact O-N 3.24Å; F733-G735 PolarHBondContact O-N 3.07Å; G735-F737 VanDerWaalsContact C-N 3.26Å; G735-F737 PolarHBondContact O-N 3.15Å; G735-I738 WeakPolarHBondContact O-CG1 3.44Å; G735-I738 PolarHBondContact O-N 3.41Å
736	W	92.8	Very high	88	Confident	43 Å²	43	64.6 Å²	64.6	16%	0.163	36%	0.357	C	S	.	.	H	α-helix	trans	-72.2	-22.5	-179.4	-42.2	-28.3	0	0	0	112.2	T684 K688 L691 E732 F733 P734	T684-W736 HydrophobicContact CG2-CH2 3.7Å; T684-W736 HydrophobicContact CG2-CZ3 4.04Å; K688-W736 HydrophobicContact CB-CD2 4.07Å; K688-W736 HydrophobicContact CB-CE3 4.13Å; K688-W736 HydrophobicContact CB-CZ3 4.42Å; K688-W736 HydrophobicContact CD-CZ2 4.48Å; K688-W736 HydrophobicContact CG-CD2 4.11Å; K688-W736 HydrophobicContact CG-CG 4.24Å; L691-W736 HydrophobicContact CD1-CB 3.8Å; L691-W736 HydrophobicContact CD1-CE3 4.42Å; E732-W736 HydrophobicContact CB-CZ2 4Å; F733-W736 HydrophobicContact CB-CD2 4.26Å; F733-W736 HydrophobicContact CB-CE3 3.73Å; F733-W736 HydrophobicContact CB-CH2 3.72Å; F733-W736 HydrophobicContact CB-CZ2 4.26Å; F733-W736 HydrophobicContact CB-CZ3 3.44Å; F733-W736 VanDerWaalsContact CB-CZ3 3.44Å; F733-W736 PolarHBondContact O-N 2.97Å; F733-W736 VanDerWaalsContact O-N 3.12Å; P734-W736 VanDerWaalsContact C-N 3.3Å; P734-W736 PolarHBondContact O-N 2.82Å
737	F	93.6	Very high	87.8	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.009	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.2	179.7	-73.9	-87.1	0	0	0	114.1	L687 L691 L708 Y709 V712 F733 P734 G735 P739 F740 V741	L687-F737 HydrophobicContact CD2-CZ 4.44Å; L691-F737 HydrophobicContact CD1-CD1 4.4Å; L691-F737 HydrophobicContact CD1-CD2 4.08Å; L691-F737 HydrophobicContact CD1-CE1 4.01Å; L691-F737 HydrophobicContact CD1-CE2 3.64Å; L691-F737 HydrophobicContact CD1-CG 4.45Å; L691-F737 HydrophobicContact CD1-CZ 3.61Å; L691-F737 HydrophobicContact CD2-CD1 4.4Å; L691-F737 HydrophobicContact CD2-CE1 3.95Å; L691-F737 HydrophobicContact CD2-CZ 4.27Å; L708-F737 HydrophobicContact CB-CE1 4.24Å; L708-F737 HydrophobicContact CD2-CE1 4.12Å; L708-F737 HydrophobicContact CD2-CZ 4.23Å; L708-F737 HydrophobicContact CG-CE1 4.02Å; L708-F737 HydrophobicContact CG-CZ 4Å; Y709-F737 HydrophobicContact CD2-CB 3.91Å; Y709-F737 HydrophobicContact CD2-CD1 4.38Å; Y709-F737 AromaticContact CD2-CD2 3.77Å; Y709-F737 HydrophobicContact CD2-CD2 3.77Å; Y709-F737 HydrophobicContact CD2-CE2 4.38Å; Y709-F737 AromaticContact CD2-CG 3.76Å; Y709-F737 HydrophobicContact CD2-CG 3.76Å; Y709-F737 HydrophobicContact CG-CD1 4.49Å; Y709-F737 HydrophobicContact CG-CG 4.29Å; V712-F737 HydrophobicContact CG2-CZ 4.19Å; F733-F737 HydrophobicContact CD2-CD2 4.46Å; F733-F737 HydrophobicContact CD2-CE2 4.34Å; F733-F737 WeakPolarHBondContact O-CD2 3.36Å; P734-F737 PolarHBondContact O-N 3.22Å; G735-F737 VanDerWaalsContact C-N 3.26Å; G735-F737 PolarHBondContact O-N 3.15Å; F737-P739 VanDerWaalsContact C-CD 3.48Å; F737-F740 HydrophobicContact CD1-CD2 4.48Å; F737-F740 PolarHBondContact O-N 2.98Å; F737-V741 HydrophobicContact CB-CG2 4.4Å; F737-V741 WeakPolarHBondContact O-CG2 2.92Å; F737-V741 PolarHBondContact O-N 2.92Å
738	I	86.6	Confident	87.4	Confident	101 Å²	101	60.3 Å²	60.3	52%	0.518	34%	0.341	S	S	.	.	H	α-helix	trans	-50	-47.2	-176.5	-67.6	173.3	0	0	0	113.1	G735 F740 V741 M742	G735-I738 WeakPolarHBondContact O-CG1 3.44Å; G735-I738 PolarHBondContact O-N 3.41Å; I738-F740 VanDerWaalsContact C-N 3.26Å; I738-F740 PolarHBondContact O-N 3.2Å; I738-V741 PolarHBondContact O-N 3.04Å; I738-M742 HydrophobicContact CG2-CG 4.15Å; I738-M742 WeakPolarHBondContact O-CB 3.49Å; I738-M742 VanDerWaalsContact O-CG 3.27Å; I738-M742 WeakPolarHBondContact O-CG 3.39Å; I738-M742 PolarHBondContact O-N 3.37Å
739	P	88.1	Confident	86.8	Confident	51 Å²	51	56.8 Å²	56.8	33%	0.331	30%	0.303	S	S	.	.	H	α-helix	trans	-59.3	-35.8	-178.9	-25	35.7	0	0	0	113.6	A695 F737 Q743	A695-P739 HydrophobicContact CB-CB 4.23Å; A695-P739 HydrophobicContact CB-CG 4.32Å; F737-P739 VanDerWaalsContact C-CD 3.48Å; P739-Q743 PolarHBondContact O-N 3.34Å; P739-Q743 VanDerWaalsContact O-N 3.09Å
740	F	91.9	Very high	86.4	Confident	1 Å²	1	60 Å²	60	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-82.1	-35.7	-178.5	-47.9	-75.9	0	0	0	112.2	L691 H694 A695 Y705 F737 I738 M742 Q743 W744	L691-F740 HydrophobicContact CB-CE2 4.25Å; L691-F740 HydrophobicContact CD2-CD2 4.43Å; L691-F740 HydrophobicContact CD2-CE2 3.77Å; L691-F740 HydrophobicContact CD2-CZ 4.26Å; L691-F740 WeakPolarHBondContact O-CZ 3.27Å; H694-F740 HydrophobicContact CB-CE1 4.02Å; H694-F740 HydrophobicContact CB-CZ 3.73Å; A695-F740 HydrophobicContact CB-CE1 4.35Å; A695-F740 HydrophobicContact CB-CE2 4.38Å; A695-F740 HydrophobicContact CB-CZ 3.79Å; Y705-F740 AromaticContact CD1-CD1 3.71Å; Y705-F740 HydrophobicContact CD1-CD1 3.71Å; Y705-F740 HydrophobicContact CD1-CD2 4.38Å; Y705-F740 AromaticContact CD1-CE1 3.87Å; Y705-F740 HydrophobicContact CD1-CE1 3.87Å; Y705-F740 AromaticContact CD1-CG 3.97Å; Y705-F740 HydrophobicContact CD1-CG 3.97Å; Y705-F740 HydrophobicContact CD1-CZ 4.28Å; Y705-F740 HydrophobicContact CD2-CB 4.09Å; Y705-F740 AromaticContact CD2-CD1 3.42Å; Y705-F740 HydrophobicContact CD2-CD1 3.42Å; Y705-F740 VanDerWaalsContact CD2-CD1 3.42Å; Y705-F740 HydrophobicContact CD2-CE1 4.13Å; Y705-F740 AromaticContact CD2-CG 3.97Å; Y705-F740 HydrophobicContact CD2-CG 3.97Å; Y705-F740 AromaticContact CE1-CD1 3.81Å; Y705-F740 HydrophobicContact CE1-CD1 3.81Å; Y705-F740 AromaticContact CE1-CE1 3.55Å; Y705-F740 HydrophobicContact CE1-CE1 3.55Å; Y705-F740 HydrophobicContact CE1-CG 4.48Å; Y705-F740 HydrophobicContact CE1-CZ 4.05Å; Y705-F740 AromaticContact CE2-CD1 3.5Å; Y705-F740 HydrophobicContact CE2-CD1 3.5Å; Y705-F740 VanDerWaalsContact CE2-CD1 3.5Å; Y705-F740 AromaticContact CE2-CE1 3.8Å; Y705-F740 HydrophobicContact CE2-CE1 3.8Å; Y705-F740 HydrophobicContact CE2-CG 4.46Å; Y705-F740 HydrophobicContact CG-CB 3.88Å; Y705-F740 AromaticContact CG-CD1 3.52Å; Y705-F740 HydrophobicContact CG-CD1 3.52Å; Y705-F740 HydrophobicContact CG-CD2 4.46Å; Y705-F740 HydrophobicContact CG-CE1 4.15Å; Y705-F740 AromaticContact CG-CG 3.69Å; Y705-F740 HydrophobicContact CG-CG 3.69Å; Y705-F740 AromaticContact CZ-CD1 3.69Å; Y705-F740 AromaticContact CZ-CE1 3.49Å; Y705-F740 VanDerWaalsContact CZ-CE1 3.49Å; F737-F740 HydrophobicContact CD1-CD2 4.48Å; F737-F740 PolarHBondContact O-N 2.98Å; I738-F740 VanDerWaalsContact C-N 3.26Å; I738-F740 PolarHBondContact O-N 3.2Å; F740-M742 VanDerWaalsContact C-N 3.33Å; F740-Q743 PolarHBondContact O-N 3.47Å; F740-W744 WeakPolarHBondContact O-CB 3.4Å; F740-W744 PolarHBondContact O-N 3.27Å
741	V	88.3	Confident	86.2	Confident	44 Å²	44	57.8 Å²	57.8	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-43.6	170.9	175.5	0	0	0	0	110.1	M706 F737 I738 W744 L745	M706-V741 HydrophobicContact SD-CB 4.46Å; M706-V741 HydrophobicContact SD-CG2 3.81Å; F737-V741 HydrophobicContact CB-CG2 4.4Å; F737-V741 WeakPolarHBondContact O-CG2 2.92Å; F737-V741 PolarHBondContact O-N 2.92Å; I738-V741 PolarHBondContact O-N 3.04Å; V741-W744 PolarHBondContact O-N 3.43Å; V741-L745 HydrophobicContact CG1-CD1 4.16Å; V741-L745 VanDerWaalsContact O-CG 3.31Å; V741-L745 WeakPolarHBondContact O-CG 3.47Å; V741-L745 PolarHBondContact O-N 3.46Å
742	M	82.3	Confident	85.7	Confident	100 Å²	100	56.2 Å²	56.2	49%	0.493	29%	0.291	S	S	.	.	H	α-helix	trans	-65.9	-36.9	176.2	-66.9	-61.5	-70.6	0	0	112.3	I738 F740 L745 N746	I738-M742 HydrophobicContact CG2-CG 4.15Å; I738-M742 WeakPolarHBondContact O-CB 3.49Å; I738-M742 VanDerWaalsContact O-CG 3.27Å; I738-M742 WeakPolarHBondContact O-CG 3.39Å; I738-M742 PolarHBondContact O-N 3.37Å; F740-M742 VanDerWaalsContact C-N 3.33Å; M742-L745 HydrophobicContact SD-CD1 4.24Å; M742-N746 VanDerWaalsContact O-CG 3.25Å; M742-N746 PolarHBondContact O-N 2.93Å; M742-N746 PolarHBondContact O-ND2 3.47Å
743	Q	86.1	Confident	85	Confident	37 Å²	37	51 Å²	51	17%	0.173	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-48.4	171	177	178.8	-19.9	0	0	111.6	P739 F740 L745 N746 E747	P739-Q743 PolarHBondContact O-N 3.34Å; P739-Q743 VanDerWaalsContact O-N 3.09Å; F740-Q743 PolarHBondContact O-N 3.47Å; Q743-L745 VanDerWaalsContact C-N 3.3Å; Q743-L745 PolarHBondContact O-N 2.93Å; Q743-N746 PolarHBondContact O-N 2.89Å; Q743-N746 VanDerWaalsContact O-N 3.12Å; Q743-E747 VanDerWaalsContact CG-OE1 3.27Å; Q743-E747 WeakPolarHBondContact CG-OE1 3.36Å; Q743-E747 PolarHBondContact NE2-OE1 3.23Å; Q743-E747 PolarHBondContact O-N 2.86Å
744	W	89.4	Confident	84.3	Confident	79 Å²	79	55.2 Å²	55.2	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-41.5	177.7	-176	81	0	0	0	112.1	M706 F740 V741 N748	M706-W744 HydrophobicContact CG-CB 4.05Å; M706-W744 HydrophobicContact CG-CD2 4.3Å; M706-W744 HydrophobicContact CG-CG 3.76Å; M706-W744 HydrophobicContact SD-CB 4.3Å; M706-W744 HydrophobicContact SD-CG 4.34Å; F740-W744 WeakPolarHBondContact O-CB 3.4Å; F740-W744 PolarHBondContact O-N 3.27Å; V741-W744 PolarHBondContact O-N 3.43Å; W744-N748 WeakPolarHBondContact O-CB 3.39Å; W744-N748 PolarHBondContact O-N 3.45Å
745	L	80.4	Confident	83.5	Confident	33 Å²	33	60.3 Å²	60.3	17%	0.173	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-39.8	175.1	-72.2	171.5	0	0	0	112.5	V741 M742 Q743 N748 D749 A780	V741-L745 HydrophobicContact CG1-CD1 4.16Å; V741-L745 VanDerWaalsContact O-CG 3.31Å; V741-L745 WeakPolarHBondContact O-CG 3.47Å; V741-L745 PolarHBondContact O-N 3.46Å; M742-L745 HydrophobicContact SD-CD1 4.24Å; Q743-L745 VanDerWaalsContact C-N 3.3Å; Q743-L745 PolarHBondContact O-N 2.93Å; L745-N748 PolarHBondContact O-N 2.86Å; L745-D749 PolarHBondContact O-N 3.42Å; L745-A780 HydrophobicContact CD1-CB 4.14Å; L745-A780 HydrophobicContact CD2-CB 3.95Å
746	N	80.6	Confident	82.9	Confident	88 Å²	88	59.4 Å²	59.4	47%	0.471	29%	0.293	S	S	.	.	H	α-helix	trans	-68	-43.3	176.4	-71	-26.5	0	0	0	112.5	M742 Q743 N748 D749 E750	M742-N746 VanDerWaalsContact O-CG 3.25Å; M742-N746 PolarHBondContact O-N 2.93Å; M742-N746 PolarHBondContact O-ND2 3.47Å; Q743-N746 PolarHBondContact O-N 2.89Å; Q743-N746 VanDerWaalsContact O-N 3.12Å; N746-N748 PolarHBondContact O-N 3.29Å; N746-D749 WeakPolarHBondContact O-CB 3.42Å; N746-D749 PolarHBondContact O-N 3.14Å; N746-E750 PolarHBondContact O-N 3.01Å
747	E	85.4	Confident	82.1	Confident	68 Å²	68	63.3 Å²	63.3	32%	0.318	31%	0.308	S	S	.	.	H	α-helix	trans	-61.2	-38.3	173.3	-70.2	172.3	-157.2	0	0	110.7	S702 Q743 E750 I751	S702-E747 WeakPolarHBondContact CB-OE2 3.47Å; S702-E747 PolarHBondContact OG-OE2 2.97Å; Q743-E747 VanDerWaalsContact CG-OE1 3.27Å; Q743-E747 WeakPolarHBondContact CG-OE1 3.36Å; Q743-E747 PolarHBondContact NE2-OE1 3.23Å; Q743-E747 PolarHBondContact O-N 2.86Å; E747-E750 PolarHBondContact O-N 3.13Å; E747-I751 WeakPolarHBondContact O-CG1 3.37Å; E747-I751 PolarHBondContact O-N 2.82Å; E747-I751 VanDerWaalsContact O-N 3.13Å
748	N	80.6	Confident	81	Confident	16 Å²	16	65 Å²	65	9%	0.086	33%	0.326	C	S	.	.	H	α-helix	trans	-68.4	-31	175.8	-177.6	87.7	0	0	0	113.5	W744 L745 N746 E750 S752 F779	W744-N748 WeakPolarHBondContact O-CB 3.39Å; W744-N748 PolarHBondContact O-N 3.45Å; L745-N748 PolarHBondContact O-N 2.86Å; N746-N748 PolarHBondContact O-N 3.29Å; N748-E750 VanDerWaalsContact C-N 3.31Å; N748-E750 PolarHBondContact O-N 3.26Å; N748-S752 PolarHBondContact ND2-OG 2.95Å; N748-S752 VanDerWaalsContact O-CB 3.24Å; N748-S752 WeakPolarHBondContact O-CB 3.29Å; N748-S752 PolarHBondContact O-N 3.4Å; N748-S752 PolarHBondContact O-OG 2.92Å; N748-F779 WeakPolarHBondContact ND2-CD1 3.46Å; N748-F779 WeakPolarHBondContact ND2-CE1 3.31Å; N748-F779 WeakPolarHBondContact OD1-CE1 3.41Å; N748-F779 WeakPolarHBondContact OD1-CZ 3.06Å
749	D	74.7	Confident	80.1	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.053	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-45.6	171.5	-83.7	12.5	0	0	0	111	L745 N746 S752 M753 T783 K786	L745-D749 PolarHBondContact O-N 3.42Å; N746-D749 WeakPolarHBondContact O-CB 3.42Å; N746-D749 PolarHBondContact O-N 3.14Å; D749-S752 PolarHBondContact O-N 3Å; D749-M753 WeakPolarHBondContact O-CB 2.9Å; D749-M753 VanDerWaalsContact O-CG 3.26Å; D749-M753 WeakPolarHBondContact O-CG 3.22Å; D749-M753 PolarHBondContact O-N 3.41Å; D749-T783 WeakPolarHBondContact OD1-CA 3.42Å; D749-T783 WeakPolarHBondContact OD1-CB 3.42Å; D749-T783 WeakPolarHBondContact OD1-CG2 3.17Å; D749-T783 PolarHBondContact OD1-OG1 3.27Å; D749-K786 WeakPolarHBondContact OD2-CD 3.44Å; D749-K786 WeakPolarHBondContact OD2-CE 3.5Å; D749-K786 IonicContact OD2-NZ 3.57Å; D749-K786 PolarHBondContact OD2-NZ 2.89Å
750	E	80.2	Confident	79.2	Confident	140 Å²	140	61.8 Å²	61.8	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-66.1	-48.1	179.7	-62.4	-174.2	165.4	0	0	111.2	N746 E747 N748 S752 M753 D754	N746-E750 PolarHBondContact O-N 3.01Å; E747-E750 PolarHBondContact O-N 3.13Å; N748-E750 VanDerWaalsContact C-N 3.31Å; N748-E750 PolarHBondContact O-N 3.26Å; E750-S752 VanDerWaalsContact C-N 3.28Å; E750-S752 PolarHBondContact O-N 2.7Å; E750-M753 PolarHBondContact O-N 3.36Å; E750-M753 VanDerWaalsContact O-N 3.12Å; E750-D754 PolarHBondContact O-N 3.13Å
751	I	82.8	Confident	78.2	Confident	114 Å²	114	67.7 Å²	67.7	59%	0.585	34%	0.343	S	S	*	.	H	α-helix	trans	-58.2	-41.3	175.9	-65	165.4	0	0	0	111.3	E747 M753 D754 F755	E747-I751 WeakPolarHBondContact O-CG1 3.37Å; E747-I751 PolarHBondContact O-N 2.82Å; E747-I751 VanDerWaalsContact O-N 3.13Å; I751-M753 VanDerWaalsContact C-N 3.35Å; I751-D754 PolarHBondContact O-N 2.83Å; I751-F755 WeakPolarHBondContact O-CB 3.32Å; I751-F755 PolarHBondContact O-N 3.17Å
752	S	76.3	Confident	77.2	Confident	11 Å²	11	73.5 Å²	73.5	8%	0.077	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-36.6	178.4	-59.7	0	0	0	0	112.1	N748 D749 E750 L756 F779	N748-S752 PolarHBondContact ND2-OG 2.95Å; N748-S752 VanDerWaalsContact O-CB 3.24Å; N748-S752 WeakPolarHBondContact O-CB 3.29Å; N748-S752 PolarHBondContact O-N 3.4Å; N748-S752 PolarHBondContact O-OG 2.92Å; D749-S752 PolarHBondContact O-N 3Å; E750-S752 VanDerWaalsContact C-N 3.28Å; E750-S752 PolarHBondContact O-N 2.7Å; S752-L756 WeakPolarHBondContact O-CB 2.97Å; S752-L756 PolarHBondContact O-N 2.66Å; S752-F779 WeakPolarHBondContact OG-CE2 3.36Å
753	M	74.9	Confident	75.8	Confident	41 Å²	41	72.6 Å²	72.6	20%	0.202	36%	0.358	C	S	.	.	H	α-helix	trans	-71.2	-37.7	176.6	-75.8	-66.3	-57.4	0	0	112.8	D749 E750 I751 L756 R757 V787 A790	D749-M753 WeakPolarHBondContact O-CB 2.9Å; D749-M753 VanDerWaalsContact O-CG 3.26Å; D749-M753 WeakPolarHBondContact O-CG 3.22Å; D749-M753 PolarHBondContact O-N 3.41Å; E750-M753 PolarHBondContact O-N 3.36Å; E750-M753 VanDerWaalsContact O-N 3.12Å; I751-M753 VanDerWaalsContact C-N 3.35Å; M753-L756 WeakPolarHBondContact O-CB 3.2Å; M753-L756 PolarHBondContact O-N 2.88Å; M753-L756 HydrophobicContact SD-CD2 4.48Å; M753-R757 WeakPolarHBondContact O-CG 3.27Å; M753-R757 PolarHBondContact O-N 3.34Å; M753-V787 HydrophobicContact CG-CG2 4.36Å; M753-V787 HydrophobicContact SD-CG2 4.02Å; M753-A790 HydrophobicContact CE-CB 3.62Å; M753-A790 HydrophobicContact SD-CB 3.89Å
754	D	77.8	Confident	74.4	Confident	94 Å²	94	73.3 Å²	73.3	50%	0.503	37%	0.366	S	S	.	.	H	α-helix	trans	-74.1	-36.5	176.1	-76.6	-15.2	0	0	0	112.2	E750 I751 L756 R757 G758	E750-D754 PolarHBondContact O-N 3.13Å; I751-D754 PolarHBondContact O-N 2.83Å; D754-L756 VanDerWaalsContact C-N 3.28Å; D754-L756 PolarHBondContact O-N 2.94Å; D754-R757 PolarHBondContact O-N 2.52Å; D754-R757 IonicContact OD1-CZ 3Å; D754-R757 IonicContact OD1-NH1 3.57Å; D754-R757 PolarHBondContact OD1-NH1 2.81Å; D754-G758 PolarHBondContact O-N 3.05Å
755	F	74.4	Confident	72.7	Confident	152 Å²	152	73.9 Å²	73.9	67%	0.667	38%	0.378	S	S	*	.	H	α-helix	trans	-59.8	-40	168.3	-174.4	-90.7	0	0	0	111.5	I751 A759	I751-F755 WeakPolarHBondContact O-CB 3.32Å; I751-F755 PolarHBondContact O-N 3.17Å; F755-A759 VanDerWaalsContact O-CB 3.22Å; F755-A759 WeakPolarHBondContact O-CB 3.36Å; F755-A759 PolarHBondContact O-N 2.84Å
756	L	73.4	Confident	71.5	Confident	22 Å²	22	78 Å²	78	12%	0.115	40%	0.396	C	S	.	.	H	α-helix	trans	-62	-49.7	177.2	-172.1	73.1	0	0	0	112.1	S752 M753 D754 A759 F760 V787 A790 Y791	S752-L756 WeakPolarHBondContact O-CB 2.97Å; S752-L756 PolarHBondContact O-N 2.66Å; M753-L756 WeakPolarHBondContact O-CB 3.2Å; M753-L756 PolarHBondContact O-N 2.88Å; M753-L756 HydrophobicContact SD-CD2 4.48Å; D754-L756 VanDerWaalsContact C-N 3.28Å; D754-L756 PolarHBondContact O-N 2.94Å; L756-A759 PolarHBondContact O-N 2.92Å; L756-F760 PolarHBondContact O-N 2.92Å; L756-V787 HydrophobicContact CB-CG1 4.45Å; L756-V787 HydrophobicContact CD1-CG1 3.98Å; L756-V787 HydrophobicContact CD2-CG1 4.06Å; L756-V787 VanDerWaalsContact CD2-O 3.28Å; L756-V787 WeakPolarHBondContact CD2-O 3.31Å; L756-V787 HydrophobicContact CG-CG1 4.4Å; L756-A790 HydrophobicContact CD2-CB 3.75Å; L756-Y791 HydrophobicContact CD1-CD2 3.9Å; L756-Y791 HydrophobicContact CD1-CG 4.47Å
757	R	75.5	Confident	70.2	Confident	126 Å²	126	76.1 Å²	76.1	48%	0.475	38%	0.383	S	S	.	.	H	α-helix	trans	-57.6	-53.5	176.2	-69.7	165.8	177.7	153	-4	110.7	M753 D754 A759 F760 D761	M753-R757 WeakPolarHBondContact O-CG 3.27Å; M753-R757 PolarHBondContact O-N 3.34Å; D754-R757 PolarHBondContact O-N 2.52Å; D754-R757 IonicContact OD1-CZ 3Å; D754-R757 IonicContact OD1-NH1 3.57Å; D754-R757 PolarHBondContact OD1-NH1 2.81Å; R757-A759 PolarHBondContact O-N 3.37Å; R757-A759 VanDerWaalsContact O-N 3.1Å; R757-F760 PolarHBondContact O-N 3.12Å; R757-D761 PolarHBondContact O-N 3.3Å
758	G	70.9	Confident	68.2	Low	37 Å²	37	75.9 Å²	75.9	38%	0.381	39%	0.388	S	S	.	.	H	α-helix	trans	-67.1	-9.2	178.8	0	0	0	0	0	115.5	D754 R762	D754-G758 PolarHBondContact O-N 3.05Å; G758-R762 WeakPolarHBondContact O-CG 3.28Å; G758-R762 PolarHBondContact O-NE 2.93Å
759	A	68.4	Low	66.2	Low	47 Å²	47	80.7 Å²	80.7	39%	0.388	42%	0.419	S	S	.	.	H	α-helix	trans	-94	-32.6	169.1	0	0	0	0	0	112.5	F755 L756 R757	F755-A759 VanDerWaalsContact O-CB 3.22Å; F755-A759 WeakPolarHBondContact O-CB 3.36Å; F755-A759 PolarHBondContact O-N 2.84Å; L756-A759 PolarHBondContact O-N 2.92Å; R757-A759 PolarHBondContact O-N 3.37Å; R757-A759 VanDerWaalsContact O-N 3.1Å
760	F	68.7	Low	64	Low	37 Å²	37	85.5 Å²	85.5	16%	0.162	45%	0.451	C	S	.	.	H	α-helix	trans	-76.4	-37.8	177.4	-169.6	-86.2	0	0	0	112.6	L756 R757 R762 Y791 M794 V795	L756-F760 PolarHBondContact O-N 2.92Å; R757-F760 PolarHBondContact O-N 3.12Å; F760-R762 PolarHBondContact O-N 2.86Å; F760-Y791 HydrophobicContact CD2-CD2 4.15Å; F760-Y791 AromaticContact CD2-CE2 3.88Å; F760-Y791 HydrophobicContact CD2-CE2 3.88Å; F760-Y791 HydrophobicContact CE2-CE2 4.45Å; F760-M794 HydrophobicContact CB-CE 3.72Å; F760-M794 HydrophobicContact CD1-CE 3.48Å; F760-M794 VanDerWaalsContact CD1-CE 3.48Å; F760-M794 HydrophobicContact CD2-CB 4.34Å; F760-M794 HydrophobicContact CD2-CE 4.17Å; F760-M794 HydrophobicContact CE1-CB 4.4Å; F760-M794 HydrophobicContact CE1-CE 4.06Å; F760-M794 HydrophobicContact CE2-CB 3.94Å; F760-M794 HydrophobicContact CG-CE 3.53Å; F760-M794 HydrophobicContact CZ-CB 3.97Å; F760-V795 HydrophobicContact CE2-CG2 3.9Å
761	D	70.3	Confident	61.7	Low	125 Å²	125	82.6 Å²	82.6	67%	0.668	45%	0.447	S	S	*	.	S	Bend	trans	-71.9	-6.1	180	-64.4	-23.4	0	0	0	113.4	R757	R757-D761 PolarHBondContact O-N 3.3Å
762	R	67.8	Low	59.2	Low	167 Å²	167	81.9 Å²	81.9	63%	0.63	45%	0.45	S	S	*	.	S	Bend	trans	-75.1	138.3	172.6	-64.4	177.5	-169.7	-156.9	-1.5	109.6	G758 F760	G758-R762 WeakPolarHBondContact O-CG 3.28Å; G758-R762 PolarHBondContact O-NE 2.93Å; F760-R762 PolarHBondContact O-N 2.86Å
763	D	52.6	Low	56.8	Low	80 Å²	80	91.2 Å²	91.2	43%	0.428	48%	0.483	S	S	.	.			trans	-32.8	115.3	-173.1	-174.2	-24.8	0	0	0	113.9	T765 Q766	D763-T765 PolarHBondContact O-N 3.25Å; D763-T765 WeakPolarHBondContact OD1-CB 3.43Å; D763-T765 WeakPolarHBondContact OD1-CG2 3.15Å; D763-T765 PolarHBondContact OD1-N 3.31Å; D763-T765 PolarHBondContact OD1-OG1 3.22Å; D763-T765 PolarHBondContact OD2-OG1 3.33Å; D763-Q766 HydrophobicContact CB-CG 4.2Å; D763-Q766 PolarHBondContact O-N 3.34Å
764	P	57.4	Low	54.7	Low	53 Å²	53	97.5 Å²	97.5	34%	0.344	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	9.6	176	-24.9	34.9	0	0	0	116	W767 L808	P764-W767 VanDerWaalsContact C-CD1 3.47Å; P764-W767 PolarHBondContact O-NE1 3.09Å; P764-L808 HydrophobicContact CB-CD1 4.14Å; P764-L808 VanDerWaalsContact O-CD1 3.3Å; P764-L808 WeakPolarHBondContact O-CD1 3.06Å
765	T	54.4	Low	52.3	Low	90 Å²	90	98.6 Å²	98.6	55%	0.552	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-26.3	165.2	65.6	0	0	0	0	113.2	D763 W767 S768	D763-T765 PolarHBondContact O-N 3.25Å; D763-T765 WeakPolarHBondContact OD1-CB 3.43Å; D763-T765 WeakPolarHBondContact OD1-CG2 3.15Å; D763-T765 PolarHBondContact OD1-N 3.31Å; D763-T765 PolarHBondContact OD1-OG1 3.22Å; D763-T765 PolarHBondContact OD2-OG1 3.33Å; T765-W767 VanDerWaalsContact C-CD1 3.42Å; T765-S768 PolarHBondContact O-OG 3.12Å
766	Q	54.1	Low	50	Low	119 Å²	119	96.8 Å²	96.8	56%	0.556	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-82.1	-27.7	-176.8	-64.4	-172.4	18.1	0	0	115.2	D763 S768 T769	D763-Q766 HydrophobicContact CB-CG 4.2Å; D763-Q766 PolarHBondContact O-N 3.34Å; Q766-S768 PolarHBondContact O-N 3.21Å; Q766-T769 PolarHBondContact O-N 2.66Å; Q766-T769 VanDerWaalsContact O-N 3.08Å; Q766-T769 PolarHBondContact O-OG1 3.11Å
767	W	53.9	Low	47.9	Very low	50 Å²	50	99.3 Å²	99.3	19%	0.189	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-44.7	-26	169	73.5	-39.7	0	0	0	115.6	P764 T765 T769 C770 L808 I811 L812	P764-W767 VanDerWaalsContact C-CD1 3.47Å; P764-W767 PolarHBondContact O-NE1 3.09Å; T765-W767 VanDerWaalsContact C-CD1 3.42Å; W767-T769 VanDerWaalsContact C-N 3.26Å; W767-T769 PolarHBondContact O-N 2.78Å; W767-C770 PolarHBondContact O-N 3.46Å; W767-L808 HydrophobicContact CH2-CB 4.17Å; W767-L808 HydrophobicContact CH2-CD1 3.42Å; W767-L808 VanDerWaalsContact CH2-CD1 3.42Å; W767-L808 HydrophobicContact CH2-CG 3.87Å; W767-L808 WeakPolarHBondContact CH2-O 3.03Å; W767-L808 HydrophobicContact CZ2-CB 3.98Å; W767-L808 HydrophobicContact CZ2-CD1 3.06Å; W767-L808 HydrophobicContact CZ2-CG 3.83Å; W767-L808 HydrophobicContact CZ3-CD1 4.44Å; W767-I811 HydrophobicContact CD2-CB 4.46Å; W767-I811 HydrophobicContact CD2-CG2 3.73Å; W767-I811 HydrophobicContact CE3-CB 4.21Å; W767-I811 HydrophobicContact CE3-CG2 3.47Å; W767-I811 VanDerWaalsContact CE3-CG2 3.47Å; W767-I811 HydrophobicContact CH2-CB 3.37Å; W767-I811 HydrophobicContact CH2-CG2 3.63Å; W767-I811 HydrophobicContact CZ2-CB 3.54Å; W767-I811 HydrophobicContact CZ2-CD1 3.79Å; W767-I811 HydrophobicContact CZ2-CG1 4.25Å; W767-I811 HydrophobicContact CZ2-CG2 3.75Å; W767-I811 HydrophobicContact CZ3-CB 3.67Å; W767-I811 HydrophobicContact CZ3-CG2 3.42Å; W767-I811 VanDerWaalsContact CZ3-CG2 3.42Å; W767-L812 HydrophobicContact CE3-CD2 4.33Å; W767-L812 HydrophobicContact CH2-CB 4.43Å; W767-L812 HydrophobicContact CH2-CD2 4.2Å; W767-L812 HydrophobicContact CH2-CG 3.73Å; W767-L812 HydrophobicContact CZ3-CB 4.16Å; W767-L812 HydrophobicContact CZ3-CD2 3.52Å; W767-L812 HydrophobicContact CZ3-CG 3.5Å; W767-L812 VanDerWaalsContact CZ3-N 3.33Å
768	S	43.2	Very low	45.6	Very low	62 Å²	62	99 Å²	99	43%	0.434	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-78.7	-6.8	-176	67.1	0	0	0	0	113.8	T765 Q766	T765-S768 PolarHBondContact O-OG 3.12Å; Q766-S768 PolarHBondContact O-N 3.21Å
769	T	39.3	Very low	44.2	Very low	118 Å²	118	99.4 Å²	99.4	72%	0.724	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-105.8	0.4	173.2	34.6	0	0	0	0	114.1	Q766 W767 S771	Q766-T769 PolarHBondContact O-N 2.66Å; Q766-T769 VanDerWaalsContact O-N 3.08Å; Q766-T769 PolarHBondContact O-OG1 3.11Å; W767-T769 VanDerWaalsContact C-N 3.26Å; W767-T769 PolarHBondContact O-N 2.78Å; T769-S771 PolarHBondContact O-N 3.15Å
770	C	28.5	Very low	43.3	Very low	110 Å²	110	98.5 Å²	98.5	74%	0.743	53%	0.533	S	S	*	.			trans	-74.4	92.8	178.6	-84.9	0	0	0	0	112.9	W767	W767-C770 PolarHBondContact O-N 3.46Å
771	S	31.2	Very low	42.7	Very low	80 Å²	80	99.1 Å²	99.1	56%	0.559	54%	0.535	S	S	*	.			trans	-64.1	151	169.6	-162.5	0	0	0	0	111.8	T769 R773	T769-S771 PolarHBondContact O-N 3.15Å; S771-R773 PolarHBondContact O-N 2.9Å
772	P	29.7	Very low	42.1	Very low	99 Å²	99	98.8 Å²	98.8	64%	0.643	53%	0.53	S	S	*	.	S	Bend	trans	-76.1	35.3	-166.2	-14	30.7	0	0	0	116.2
773	R	27.1	Very low	42.1	Very low	206 Å²	206	90.9 Å²	90.9	78%	0.777	50%	0.5	S	S	*	.			trans	-105.3	11.2	-158.6	-77.2	-170.3	173.9	176.7	-0.6	117.7	S771 P775	S771-R773 PolarHBondContact O-N 2.9Å; R773-P775 VanDerWaalsContact O-CD 3.28Å; R773-P775 WeakPolarHBondContact O-CD 3.2Å
774	H	30.7	Very low	43	Very low	173 Å²	173	87.5 Å²	87.5	80%	0.801	48%	0.483	S	S	*	.			trans	-116.7	87	174.4	-82.7	-80.5	0	0	0	113.5	T776	H774-T776 PolarHBondContact O-N 3.42Å
775	P	27.4	Very low	43.8	Very low	118 Å²	118	86.8 Å²	86.8	77%	0.766	48%	0.476	S	S	*	.			trans	-86.2	95.6	168.1	34.1	-30.4	0	0	0	110.4	R773	R773-P775 VanDerWaalsContact O-CD 3.28Å; R773-P775 WeakPolarHBondContact O-CD 3.2Å
776	T	26.5	Very low	44.9	Very low	113 Å²	113	87.1 Å²	87.1	69%	0.693	47%	0.47	S	S	*	.			trans	-157.7	127	177	31.2	0	0	0	0	106.4	H774	H774-T776 PolarHBondContact O-N 3.42Å
777	V	28.9	Very low	46.1	Very low	76 Å²	76	82.6 Å²	82.6	46%	0.461	45%	0.45	S	S	.	.			cis	-139.9	161.4	11.2	175.8	0	0	0	0	109.2	F779	V777-F779 HydrophobicContact CB-CD1 4.26Å; V777-F779 HydrophobicContact CB-CE1 3.67Å; V777-F779 HydrophobicContact CB-CE2 3.96Å; V777-F779 HydrophobicContact CB-CZ 3.54Å; V777-F779 HydrophobicContact CG1-CD1 4.1Å; V777-F779 HydrophobicContact CG1-CE1 3.6Å; V777-F779 HydrophobicContact CG1-CZ 4.02Å; V777-F779 HydrophobicContact CG2-CZ 4.19Å; V777-F779 PolarHBondContact O-N 3.48Å
778	L	26.4	Very low	47.5	Very low	119 Å²	119	81.7 Å²	81.7	62%	0.623	45%	0.449	S	S	*	.			trans	-65.4	112.7	172.9	-152.5	86.6	0	0	0	110	M830	L778-M830 HydrophobicContact CD1-CG 4.2Å
779	F	41.9	Very low	49.5	Very low	45 Å²	45	80.1 Å²	80.1	20%	0.197	44%	0.435	C	S	.	.			trans	-128.8	157.7	-177.6	-64.4	-40.5	0	0	0	111.9	N748 S752 V777 T783 V784	N748-F779 WeakPolarHBondContact ND2-CD1 3.46Å; N748-F779 WeakPolarHBondContact ND2-CE1 3.31Å; N748-F779 WeakPolarHBondContact OD1-CE1 3.41Å; N748-F779 WeakPolarHBondContact OD1-CZ 3.06Å; S752-F779 WeakPolarHBondContact OG-CE2 3.36Å; V777-F779 HydrophobicContact CB-CD1 4.26Å; V777-F779 HydrophobicContact CB-CE1 3.67Å; V777-F779 HydrophobicContact CB-CE2 3.96Å; V777-F779 HydrophobicContact CB-CZ 3.54Å; V777-F779 HydrophobicContact CG1-CD1 4.1Å; V777-F779 HydrophobicContact CG1-CE1 3.6Å; V777-F779 HydrophobicContact CG1-CZ 4.02Å; V777-F779 HydrophobicContact CG2-CZ 4.19Å; V777-F779 PolarHBondContact O-N 3.48Å; F779-T783 HydrophobicContact CB-CG2 3.86Å; F779-T783 HydrophobicContact CD2-CG2 4.29Å; F779-T783 HydrophobicContact CG-CG2 4.23Å; F779-V784 HydrophobicContact CB-CG2 4.43Å
780	A	50.5	Low	51.6	Low	29 Å²	29	75.4 Å²	75.4	24%	0.24	41%	0.409	C	S	.	.			trans	-61	150.9	-176.5	0	0	0	0	0	111.9	L745 Q782 T783 V784	L745-A780 HydrophobicContact CD1-CB 4.14Å; L745-A780 HydrophobicContact CD2-CB 3.95Å; A780-Q782 PolarHBondContact O-N 2.91Å; A780-T783 PolarHBondContact N-OG1 3.4Å; A780-T783 WeakPolarHBondContact O-CA 3.14Å; A780-T783 WeakPolarHBondContact O-CB 3.35Å; A780-T783 PolarHBondContact O-N 3.37Å; A780-T783 PolarHBondContact O-OG1 3.42Å; A780-V784 PolarHBondContact O-N 2.91Å
781	F	54.5	Low	54.2	Low	49 Å²	49	72.1 Å²	72.1	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-54.1	-32.8	-176.4	-55.6	-78.2	0	0	0	113.5	N785 M830 L835 A839 I842 M843	F781-N785 VanDerWaalsContact O-CB 3.29Å; F781-N785 WeakPolarHBondContact O-CB 3.48Å; F781-N785 PolarHBondContact O-N 3.24Å; F781-M830 HydrophobicContact CD1-CE 3.96Å; F781-M830 HydrophobicContact CD1-SD 4.23Å; F781-M830 HydrophobicContact CE1-CB 4.41Å; F781-M830 HydrophobicContact CE1-CE 3.36Å; F781-M830 HydrophobicContact CE1-SD 3.41Å; F781-M830 WeakPolarHBondContact CE1-SD 3.42Å; F781-M830 HydrophobicContact CZ-CB 4.43Å; F781-M830 HydrophobicContact CZ-CE 4.27Å; F781-M830 HydrophobicContact CZ-SD 3.74Å; F781-L835 HydrophobicContact CD1-CD2 4.3Å; F781-L835 HydrophobicContact CE1-CD1 4Å; F781-L835 HydrophobicContact CE1-CD2 3.4Å; F781-L835 HydrophobicContact CE1-CG 4.27Å; F781-L835 HydrophobicContact CE2-CD1 4Å; F781-L835 HydrophobicContact CZ-CD1 3.34Å; F781-L835 HydrophobicContact CZ-CD2 3.7Å; F781-L835 HydrophobicContact CZ-CG 4.09Å; F781-A839 HydrophobicContact CD1-CB 3.85Å; F781-A839 HydrophobicContact CD2-CB 3.58Å; F781-A839 HydrophobicContact CE1-CB 3.98Å; F781-A839 HydrophobicContact CE2-CB 3.74Å; F781-A839 HydrophobicContact CG-CB 3.67Å; F781-A839 HydrophobicContact CZ-CB 3.96Å; F781-I842 HydrophobicContact CB-CG2 4.41Å; F781-M843 HydrophobicContact CD1-CG 3.86Å; F781-M843 HydrophobicContact CD1-SD 3.93Å; F781-M843 HydrophobicContact CE1-CG 4.39Å
782	Q	57.8	Low	56.8	Low	118 Å²	118	68.3 Å²	68.3	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-70.8	-41.3	174.7	-62.9	-172.3	1.8	0	0	112.3	A780 N785 K786	A780-Q782 PolarHBondContact O-N 2.91Å; Q782-N785 PolarHBondContact O-N 3.05Å; Q782-K786 WeakPolarHBondContact O-CB 3.38Å; Q782-K786 VanDerWaalsContact O-CG 3.3Å; Q782-K786 WeakPolarHBondContact O-CG 3.33Å; Q782-K786 PolarHBondContact O-N 2.87Å
783	T	67.6	Low	59.5	Low	2 Å²	2	68 Å²	68	1%	0.012	35%	0.347	C	S	.	.	H	α-helix	trans	-55.3	-53	172	-39.1	0	0	0	0	110.6	D749 F779 A780 N785 K786 V787	D749-T783 WeakPolarHBondContact OD1-CA 3.42Å; D749-T783 WeakPolarHBondContact OD1-CB 3.42Å; D749-T783 WeakPolarHBondContact OD1-CG2 3.17Å; D749-T783 PolarHBondContact OD1-OG1 3.27Å; F779-T783 HydrophobicContact CB-CG2 3.86Å; F779-T783 HydrophobicContact CD2-CG2 4.29Å; F779-T783 HydrophobicContact CG-CG2 4.23Å; A780-T783 PolarHBondContact N-OG1 3.4Å; A780-T783 WeakPolarHBondContact O-CA 3.14Å; A780-T783 WeakPolarHBondContact O-CB 3.35Å; A780-T783 PolarHBondContact O-N 3.37Å; A780-T783 PolarHBondContact O-OG1 3.42Å; T783-N785 VanDerWaalsContact C-N 3.33Å; T783-N785 PolarHBondContact O-N 3.24Å; T783-K786 PolarHBondContact O-N 3.05Å; T783-V787 HydrophobicContact CG2-CG2 4.24Å; T783-V787 WeakPolarHBondContact O-CB 3.29Å; T783-V787 VanDerWaalsContact O-CG2 3.29Å; T783-V787 WeakPolarHBondContact O-CG2 3.42Å; T783-V787 PolarHBondContact O-N 3.37Å
784	V	71.8	Confident	62.2	Low	9 Å²	9	60.4 Å²	60.4	6%	0.055	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-44.4	-178.3	179.3	0	0	0	0	110.4	F779 A780 L788 L823 M826 L846	F779-V784 HydrophobicContact CB-CG2 4.43Å; A780-V784 PolarHBondContact O-N 2.91Å; V784-L788 HydrophobicContact CG1-CD1 3.7Å; V784-L788 HydrophobicContact CG1-CG 4.2Å; V784-L788 VanDerWaalsContact O-CB 3.28Å; V784-L788 WeakPolarHBondContact O-CB 3.32Å; V784-L788 VanDerWaalsContact O-CG 3.27Å; V784-L788 WeakPolarHBondContact O-CG 3.5Å; V784-L788 PolarHBondContact O-N 2.84Å; V784-L823 HydrophobicContact CG1-CD1 3.77Å; V784-M826 HydrophobicContact CG1-SD 4Å; V784-M826 HydrophobicContact CG2-CE 4.49Å; V784-M826 HydrophobicContact CG2-SD 3.65Å; V784-L846 HydrophobicContact CG1-CD2 4.2Å
785	N	74.3	Confident	64.8	Low	38 Å²	38	52.2 Å²	52.2	20%	0.203	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-41.6	175.4	173.9	77	0	0	0	113.1	F781 Q782 T783 L789 I842 L846	F781-N785 VanDerWaalsContact O-CB 3.29Å; F781-N785 WeakPolarHBondContact O-CB 3.48Å; F781-N785 PolarHBondContact O-N 3.24Å; Q782-N785 PolarHBondContact O-N 3.05Å; T783-N785 VanDerWaalsContact C-N 3.33Å; T783-N785 PolarHBondContact O-N 3.24Å; N785-L789 VanDerWaalsContact O-CB 3.25Å; N785-L789 WeakPolarHBondContact O-CB 3.17Å; N785-L789 WeakPolarHBondContact O-CD1 3.33Å; N785-L789 WeakPolarHBondContact O-CG 3.39Å; N785-L789 PolarHBondContact O-N 3.45Å; N785-L789 WeakPolarHBondContact OD1-CD1 3.2Å; N785-I842 HydrophobicContact CB-CG2 4.02Å; N785-L846 HydrophobicContact CB-CD2 4.15Å
786	K	77.3	Confident	67.7	Low	96 Å²	96	49.5 Å²	49.5	42%	0.417	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-53.1	176	-73.7	170.6	-175.1	174.5	0	111.6	D749 Q782 T783 A790	D749-K786 WeakPolarHBondContact OD2-CD 3.44Å; D749-K786 WeakPolarHBondContact OD2-CE 3.5Å; D749-K786 IonicContact OD2-NZ 3.57Å; D749-K786 PolarHBondContact OD2-NZ 2.89Å; Q782-K786 WeakPolarHBondContact O-CB 3.38Å; Q782-K786 VanDerWaalsContact O-CG 3.3Å; Q782-K786 WeakPolarHBondContact O-CG 3.33Å; Q782-K786 PolarHBondContact O-N 2.87Å; T783-K786 PolarHBondContact O-N 3.05Å; K786-A790 VanDerWaalsContact O-CB 3.25Å; K786-A790 WeakPolarHBondContact O-CB 3.46Å; K786-A790 PolarHBondContact O-N 2.98Å
787	V	79.3	Confident	70.6	Confident	24 Å²	24	51.9 Å²	51.9	15%	0.145	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-45.9	-174.2	173.9	0	0	0	0	111.6	M753 L756 T783 A790 Y791	M753-V787 HydrophobicContact CG-CG2 4.36Å; M753-V787 HydrophobicContact SD-CG2 4.02Å; L756-V787 HydrophobicContact CB-CG1 4.45Å; L756-V787 HydrophobicContact CD1-CG1 3.98Å; L756-V787 HydrophobicContact CD2-CG1 4.06Å; L756-V787 VanDerWaalsContact CD2-O 3.28Å; L756-V787 WeakPolarHBondContact CD2-O 3.31Å; L756-V787 HydrophobicContact CG-CG1 4.4Å; T783-V787 HydrophobicContact CG2-CG2 4.24Å; T783-V787 WeakPolarHBondContact O-CB 3.29Å; T783-V787 VanDerWaalsContact O-CG2 3.29Å; T783-V787 WeakPolarHBondContact O-CG2 3.42Å; T783-V787 PolarHBondContact O-N 3.37Å; V787-A790 PolarHBondContact O-N 3.41Å; V787-Y791 PolarHBondContact O-N 3.18Å
788	L	84	Confident	73.3	Confident	31 Å²	31	49.8 Å²	49.8	16%	0.162	25%	0.247	C	C	.	.	H	α-helix	trans	-72	-34.1	-178.9	-62.8	-174.4	0	0	0	112.8	V784 A792 L819 L823 L846	V784-L788 HydrophobicContact CG1-CD1 3.7Å; V784-L788 HydrophobicContact CG1-CG 4.2Å; V784-L788 VanDerWaalsContact O-CB 3.28Å; V784-L788 WeakPolarHBondContact O-CB 3.32Å; V784-L788 VanDerWaalsContact O-CG 3.27Å; V784-L788 WeakPolarHBondContact O-CG 3.5Å; V784-L788 PolarHBondContact O-N 2.84Å; L788-A792 WeakPolarHBondContact O-CB 3.31Å; L788-A792 PolarHBondContact O-N 3.02Å; L788-A792 VanDerWaalsContact O-N 3.09Å; L788-L819 HydrophobicContact CD2-CD1 4.13Å; L788-L819 HydrophobicContact CD2-CD2 3.97Å; L788-L819 HydrophobicContact CD2-CG 4.46Å; L788-L823 HydrophobicContact CD1-CB 4.26Å; L788-L823 HydrophobicContact CD1-CD1 3.96Å; L788-L823 HydrophobicContact CD1-CD2 4.47Å; L788-L823 HydrophobicContact CD1-CG 4.47Å; L788-L846 HydrophobicContact CB-CD1 4.48Å; L788-L846 HydrophobicContact CB-CD2 4.38Å; L788-L846 HydrophobicContact CD1-CD2 4.1Å
789	L	85.1	Confident	76.3	Confident	29 Å²	29	44.2 Å²	44.2	15%	0.152	22%	0.218	C	C	.	.	H	α-helix	trans	-69.5	-41.4	171.4	-69.3	177.3	0	0	0	111.5	N785 Y791 A792 D793 L846 K849	N785-L789 VanDerWaalsContact O-CB 3.25Å; N785-L789 WeakPolarHBondContact O-CB 3.17Å; N785-L789 WeakPolarHBondContact O-CD1 3.33Å; N785-L789 WeakPolarHBondContact O-CG 3.39Å; N785-L789 PolarHBondContact O-N 3.45Å; N785-L789 WeakPolarHBondContact OD1-CD1 3.2Å; L789-Y791 VanDerWaalsContact C-N 3.32Å; L789-Y791 PolarHBondContact O-N 3.46Å; L789-A792 CarbonylContact O-C 3.59Å; L789-A792 PolarHBondContact O-N 3.37Å; L789-A792 VanDerWaalsContact O-N 3.12Å; L789-D793 WeakPolarHBondContact O-CB 3.49Å; L789-D793 PolarHBondContact O-N 2.8Å; L789-L846 HydrophobicContact CD1-CD1 4.21Å; L789-L846 HydrophobicContact CD2-CD1 3.58Å; L789-L846 HydrophobicContact CG-CD1 3.55Å; L789-K849 HydrophobicContact CD1-CD 3.88Å; L789-K849 HydrophobicContact CD2-CB 3.83Å; L789-K849 HydrophobicContact CD2-CD 3.77Å; L789-K849 HydrophobicContact CD2-CG 4.44Å; L789-K849 HydrophobicContact CG-CD 4.47Å
790	A	83.8	Confident	78.6	Confident	20 Å²	20	47.4 Å²	47.4	17%	0.165	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-43.9	175.8	0	0	0	0	0	112	M753 L756 K786 V787 D793 M794	M753-A790 HydrophobicContact CE-CB 3.62Å; M753-A790 HydrophobicContact SD-CB 3.89Å; L756-A790 HydrophobicContact CD2-CB 3.75Å; K786-A790 VanDerWaalsContact O-CB 3.25Å; K786-A790 WeakPolarHBondContact O-CB 3.46Å; K786-A790 PolarHBondContact O-N 2.98Å; V787-A790 PolarHBondContact O-N 3.41Å; A790-D793 PolarHBondContact O-N 3.06Å; A790-M794 WeakPolarHBondContact O-CB 3.22Å; A790-M794 WeakPolarHBondContact O-CG 3.44Å; A790-M794 PolarHBondContact O-N 2.96Å
791	Y	82.9	Confident	80.3	Confident	41 Å²	41	52.1 Å²	52.1	16%	0.161	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-45.9	173.9	-171.5	-90	0	0	0	111.7	L756 F760 V787 L789 D793 M794 V795 N815 L819	L756-Y791 HydrophobicContact CD1-CD2 3.9Å; L756-Y791 HydrophobicContact CD1-CG 4.47Å; F760-Y791 HydrophobicContact CD2-CD2 4.15Å; F760-Y791 AromaticContact CD2-CE2 3.88Å; F760-Y791 HydrophobicContact CD2-CE2 3.88Å; F760-Y791 HydrophobicContact CE2-CE2 4.45Å; V787-Y791 PolarHBondContact O-N 3.18Å; L789-Y791 VanDerWaalsContact C-N 3.32Å; L789-Y791 PolarHBondContact O-N 3.46Å; Y791-D793 VanDerWaalsContact C-N 3.34Å; Y791-D793 PolarHBondContact O-N 3.24Å; Y791-M794 PolarHBondContact O-N 3.49Å; Y791-V795 HydrophobicContact CD1-CG2 3.82Å; Y791-V795 HydrophobicContact CE1-CG2 3.49Å; Y791-V795 VanDerWaalsContact CE1-CG2 3.49Å; Y791-V795 WeakPolarHBondContact O-CG2 3.4Å; Y791-V795 PolarHBondContact O-N 2.96Å; Y791-N815 HydrophobicContact CE1-CB 4.3Å; Y791-N815 PolarHBondContact OH-ND2 2.94Å; Y791-L819 HydrophobicContact CD1-CD1 3.53Å; Y791-L819 HydrophobicContact CD1-CG 4.38Å; Y791-L819 HydrophobicContact CE1-CD1 4.24Å; Y791-L819 HydrophobicContact CG-CD1 4.14Å
792	A	85.7	Confident	81.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-39.1	-179.3	0	0	0	0	0	112.1	L788 L789 Q796 L850 V853	L788-A792 WeakPolarHBondContact O-CB 3.31Å; L788-A792 PolarHBondContact O-N 3.02Å; L788-A792 VanDerWaalsContact O-N 3.09Å; L789-A792 CarbonylContact O-C 3.59Å; L789-A792 PolarHBondContact O-N 3.37Å; L789-A792 VanDerWaalsContact O-N 3.12Å; A792-Q796 VanDerWaalsContact O-CB 3.25Å; A792-Q796 WeakPolarHBondContact O-CB 3.38Å; A792-Q796 PolarHBondContact O-N 2.91Å; A792-L850 HydrophobicContact CB-CD2 3.72Å; A792-V853 HydrophobicContact CB-CB 4.5Å; A792-V853 HydrophobicContact CB-CG1 4.21Å; A792-V853 HydrophobicContact CB-CG2 4.18Å
793	D	86.4	Confident	83.1	Confident	91 Å²	91	47.7 Å²	47.7	49%	0.487	23%	0.233	S	C	.	.	H	α-helix	trans	-70	-40.6	175.8	-74.1	-24.5	0	0	0	111.8	L789 A790 Y791 Q796 K797	L789-D793 WeakPolarHBondContact O-CB 3.49Å; L789-D793 PolarHBondContact O-N 2.8Å; A790-D793 PolarHBondContact O-N 3.06Å; Y791-D793 VanDerWaalsContact C-N 3.34Å; Y791-D793 PolarHBondContact O-N 3.24Å; D793-Q796 PolarHBondContact O-N 3.4Å; D793-K797 VanDerWaalsContact O-CB 3.25Å; D793-K797 WeakPolarHBondContact O-CB 3.4Å; D793-K797 PolarHBondContact O-N 3.06Å
794	M	83.1	Confident	84	Confident	47 Å²	47	52.8 Å²	52.8	23%	0.232	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-49.2	173	-72.4	171	76.6	0	0	111	F760 A790 Y791 Q796 K797 D798	F760-M794 HydrophobicContact CB-CE 3.72Å; F760-M794 HydrophobicContact CD1-CE 3.48Å; F760-M794 VanDerWaalsContact CD1-CE 3.48Å; F760-M794 HydrophobicContact CD2-CB 4.34Å; F760-M794 HydrophobicContact CD2-CE 4.17Å; F760-M794 HydrophobicContact CE1-CB 4.4Å; F760-M794 HydrophobicContact CE1-CE 4.06Å; F760-M794 HydrophobicContact CE2-CB 3.94Å; F760-M794 HydrophobicContact CG-CE 3.53Å; F760-M794 HydrophobicContact CZ-CB 3.97Å; A790-M794 WeakPolarHBondContact O-CB 3.22Å; A790-M794 WeakPolarHBondContact O-CG 3.44Å; A790-M794 PolarHBondContact O-N 2.96Å; Y791-M794 PolarHBondContact O-N 3.49Å; M794-Q796 PolarHBondContact O-N 3.42Å; M794-K797 PolarHBondContact O-N 2.95Å; M794-D798 PolarHBondContact O-N 3.34Å; M794-D798 VanDerWaalsContact O-N 3.15Å
795	V	85.1	Confident	84.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-57.9	-48.6	173.3	172	0	0	0	0	110.8	F760 Y791 K797 D798 F799 L812 V816 L857	F760-V795 HydrophobicContact CE2-CG2 3.9Å; Y791-V795 HydrophobicContact CD1-CG2 3.82Å; Y791-V795 HydrophobicContact CE1-CG2 3.49Å; Y791-V795 VanDerWaalsContact CE1-CG2 3.49Å; Y791-V795 WeakPolarHBondContact O-CG2 3.4Å; Y791-V795 PolarHBondContact O-N 2.96Å; V795-K797 VanDerWaalsContact C-N 3.34Å; V795-K797 PolarHBondContact O-N 3.45Å; V795-D798 PolarHBondContact O-N 3.23Å; V795-F799 WeakPolarHBondContact O-CA 3.37Å; V795-F799 VanDerWaalsContact O-CB 3.27Å; V795-F799 WeakPolarHBondContact O-CB 3.24Å; V795-F799 PolarHBondContact O-N 2.91Å; V795-L812 HydrophobicContact CG1-CB 4.16Å; V795-L812 HydrophobicContact CG1-CD2 4.06Å; V795-L812 HydrophobicContact CG1-CG 4.48Å; V795-L812 HydrophobicContact CG2-CD2 4.06Å; V795-V816 HydrophobicContact CB-CG2 4.44Å; V795-V816 HydrophobicContact CG1-CG2 4.07Å; V795-L857 HydrophobicContact CG1-CD1 3.72Å; V795-L857 HydrophobicContact CG1-CD2 4.34Å
796	Q	88.5	Confident	85.4	Confident	61 Å²	61	56.8 Å²	56.8	29%	0.285	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-34.8	-176.7	-161.8	-164.8	-83	0	0	113	A792 D793 M794 V853 L857	A792-Q796 VanDerWaalsContact O-CB 3.25Å; A792-Q796 WeakPolarHBondContact O-CB 3.38Å; A792-Q796 PolarHBondContact O-N 2.91Å; D793-Q796 PolarHBondContact O-N 3.4Å; M794-Q796 PolarHBondContact O-N 3.42Å; Q796-V853 HydrophobicContact CB-CG1 4.21Å; Q796-V853 HydrophobicContact CG-CG1 4.43Å; Q796-L857 HydrophobicContact CB-CD2 4.29Å; Q796-L857 HydrophobicContact CG-CD2 4.16Å
797	K	88.2	Confident	85.9	Confident	163 Å²	163	57.5 Å²	57.5	71%	0.709	29%	0.292	S	S	*	.	H	α-helix	trans	-67.1	-47	177.2	-178.3	-172.9	170.8	-165.4	0	111.6	D793 M794 V795	D793-K797 VanDerWaalsContact O-CB 3.25Å; D793-K797 WeakPolarHBondContact O-CB 3.4Å; D793-K797 PolarHBondContact O-N 3.06Å; M794-K797 PolarHBondContact O-N 2.95Å; V795-K797 VanDerWaalsContact C-N 3.34Å; V795-K797 PolarHBondContact O-N 3.45Å
798	D	85	Confident	86.2	Confident	32 Å²	32	57.2 Å²	57.2	17%	0.171	29%	0.289	C	S	.	.	H	α-helix	trans	-91.8	-12.8	-172.1	-62.5	-22.3	0	0	0	113.3	M794 V795 N800 Q801 Y802	M794-D798 PolarHBondContact O-N 3.34Å; M794-D798 VanDerWaalsContact O-N 3.15Å; V795-D798 PolarHBondContact O-N 3.23Å; D798-N800 VanDerWaalsContact C-N 3.25Å; D798-N800 PolarHBondContact O-N 3.38Å; D798-N800 VanDerWaalsContact O-N 3.07Å; D798-Q801 WeakPolarHBondContact O-CB 3.47Å; D798-Q801 WeakPolarHBondContact O-CG 3.34Å; D798-Q801 PolarHBondContact O-N 3.08Å; D798-Q801 PolarHBondContact OD1-NE2 2.92Å; D798-Y802 HydrophobicContact CB-CD2 4.44Å; D798-Y802 HydrophobicContact CB-CE2 3.84Å; D798-Y802 WeakPolarHBondContact O-CD2 3.42Å
799	F	90.3	Very high	86.4	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-47.9	-43.2	-176.6	-166.7	-106.8	0	0	0	113.7	V795 Q801 Y802 V803 A809 L812 M813 L857 V860 F861	V795-F799 WeakPolarHBondContact O-CA 3.37Å; V795-F799 VanDerWaalsContact O-CB 3.27Å; V795-F799 WeakPolarHBondContact O-CB 3.24Å; V795-F799 PolarHBondContact O-N 2.91Å; F799-Q801 PolarHBondContact O-N 2.92Å; F799-Q801 VanDerWaalsContact O-N 3.13Å; F799-Y802 CarbonylContact O-C 3.55Å; F799-Y802 WeakPolarHBondContact O-CA 3.28Å; F799-Y802 WeakPolarHBondContact O-CB 3.29Å; F799-Y802 PolarHBondContact O-N 2.94Å; F799-V803 HydrophobicContact CD1-CG2 3.68Å; F799-V803 HydrophobicContact CE1-CG2 3.75Å; F799-V803 WeakPolarHBondContact O-CG2 3.07Å; F799-V803 PolarHBondContact O-N 2.94Å; F799-V803 VanDerWaalsContact O-N 3.07Å; F799-A809 HydrophobicContact CE2-CB 4.31Å; F799-A809 HydrophobicContact CZ-CB 4.04Å; F799-L812 HydrophobicContact CD2-CB 4.03Å; F799-L812 HydrophobicContact CD2-CD1 3.69Å; F799-L812 HydrophobicContact CD2-CG 4.5Å; F799-L812 HydrophobicContact CE2-CB 3.9Å; F799-L812 HydrophobicContact CE2-CD1 4.19Å; F799-M813 HydrophobicContact CE2-CG 4.02Å; F799-M813 HydrophobicContact CZ-CG 3.99Å; F799-M813 HydrophobicContact CZ-SD 4.24Å; F799-L857 HydrophobicContact CB-CD2 3.82Å; F799-L857 HydrophobicContact CD1-CD2 4.04Å; F799-L857 HydrophobicContact CD2-CB 4.5Å; F799-L857 HydrophobicContact CD2-CD1 4.38Å; F799-L857 HydrophobicContact CD2-CD2 3.8Å; F799-L857 HydrophobicContact CD2-CG 4.44Å; F799-L857 HydrophobicContact CE1-CB 4.23Å; F799-L857 VanDerWaalsContact CE1-O 3.23Å; F799-L857 WeakPolarHBondContact CE1-O 3.46Å; F799-L857 HydrophobicContact CE2-CB 4.18Å; F799-L857 HydrophobicContact CE2-CD1 4.41Å; F799-L857 HydrophobicContact CE2-CD2 4.32Å; F799-L857 HydrophobicContact CG-CD2 3.64Å; F799-L857 HydrophobicContact CZ-CB 4.03Å; F799-V860 HydrophobicContact CD1-CB 4.19Å; F799-V860 HydrophobicContact CD1-CG1 3.8Å; F799-V860 HydrophobicContact CE1-CB 4.18Å; F799-V860 HydrophobicContact CE1-CG1 4.03Å; F799-F861 HydrophobicContact CE1-CB 4.05Å; F799-F861 HydrophobicContact CZ-CB 4.08Å
800	N	88.8	Confident	86.7	Confident	112 Å²	112	54.4 Å²	54.4	60%	0.599	27%	0.274	S	S	*	.	H	α-helix	trans	-55	-31.5	-179.9	-74.9	-41.2	0	0	0	113.5	D798 Y802 V860	D798-N800 VanDerWaalsContact C-N 3.25Å; D798-N800 PolarHBondContact O-N 3.38Å; D798-N800 VanDerWaalsContact O-N 3.07Å; N800-Y802 PolarHBondContact O-N 3.02Å; N800-V860 VanDerWaalsContact OD1-CG1 3.29Å; N800-V860 WeakPolarHBondContact OD1-CG1 3.34Å
801	Q	86.8	Confident	86.8	Confident	128 Å²	128	54.9 Å²	54.9	60%	0.598	27%	0.274	S	S	*	.	H	α-helix	trans	-71.2	-24.1	177.6	-52.7	-179.2	42.1	0	0	111.9	D798 F799	D798-Q801 WeakPolarHBondContact O-CB 3.47Å; D798-Q801 WeakPolarHBondContact O-CG 3.34Å; D798-Q801 PolarHBondContact O-N 3.08Å; D798-Q801 PolarHBondContact OD1-NE2 2.92Å; F799-Q801 PolarHBondContact O-N 2.92Å; F799-Q801 VanDerWaalsContact O-N 3.13Å
802	Y	84.2	Confident	87	Confident	56 Å²	56	53.4 Å²	53.4	22%	0.22	27%	0.269	C	S	.	.	H	α-helix	trans	-106	-9.5	-171.5	-58.3	-46.3	0	0	0	114	D798 F799 N800 S804 N805 L808 L812	D798-Y802 HydrophobicContact CB-CD2 4.44Å; D798-Y802 HydrophobicContact CB-CE2 3.84Å; D798-Y802 WeakPolarHBondContact O-CD2 3.42Å; F799-Y802 CarbonylContact O-C 3.55Å; F799-Y802 WeakPolarHBondContact O-CA 3.28Å; F799-Y802 WeakPolarHBondContact O-CB 3.29Å; F799-Y802 PolarHBondContact O-N 2.94Å; N800-Y802 PolarHBondContact O-N 3.02Å; Y802-S804 PolarHBondContact O-N 3.35Å; Y802-N805 CarbonylContact O-C 3.59Å; Y802-N805 PolarHBondContact O-N 3.01Å; Y802-L808 HydrophobicContact CD1-CD2 3.36Å; Y802-L808 HydrophobicContact CD1-CG 4.31Å; Y802-L808 HydrophobicContact CE1-CD2 4.21Å; Y802-L808 HydrophobicContact CG-CD2 3.68Å; Y802-L808 HydrophobicContact CG-CG 4.22Å; Y802-L812 HydrophobicContact CD2-CD1 3.71Å; Y802-L812 HydrophobicContact CG-CD1 4.22Å
803	V	87.8	Confident	87.2	Confident	18 Å²	18	53.4 Å²	53.4	11%	0.109	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.2	178.2	166.2	0	0	0	0	113	F799 N805 V860 S864	F799-V803 HydrophobicContact CD1-CG2 3.68Å; F799-V803 HydrophobicContact CE1-CG2 3.75Å; F799-V803 WeakPolarHBondContact O-CG2 3.07Å; F799-V803 PolarHBondContact O-N 2.94Å; F799-V803 VanDerWaalsContact O-N 3.07Å; V803-N805 VanDerWaalsContact C-N 3.25Å; V803-N805 PolarHBondContact O-N 3.12Å; V803-V860 HydrophobicContact CG2-CG1 3.72Å; V803-S864 WeakPolarHBondContact CG1-OG 3.34Å
804	S	84.8	Confident	87.3	Confident	109 Å²	109	50.6 Å²	50.6	76%	0.762	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.7	178.9	56.3	0	0	0	0	113.3	Y802 E806	Y802-S804 PolarHBondContact O-N 3.35Å; S804-E806 PolarHBondContact O-N 2.88Å
805	N	88.4	Confident	87.6	Confident	80 Å²	80	50.2 Å²	50.2	43%	0.428	25%	0.253	S	S	.	.	S	Bend	trans	-95.7	87.8	173.5	-177.2	-17.2	0	0	0	109	Y802 V803 K807 L808 A809	Y802-N805 CarbonylContact O-C 3.59Å; Y802-N805 PolarHBondContact O-N 3.01Å; V803-N805 VanDerWaalsContact C-N 3.25Å; V803-N805 PolarHBondContact O-N 3.12Å; N805-K807 PolarHBondContact O-N 3.13Å; N805-K807 PolarHBondContact OD1-N 2.94Å; N805-L808 HydrophobicContact CB-CB 3.84Å; N805-L808 HydrophobicContact CB-CD2 3.91Å; N805-L808 CarbonylContact O-C 3.55Å; N805-L808 WeakPolarHBondContact O-CA 3.38Å; N805-L808 WeakPolarHBondContact O-CB 3.26Å; N805-L808 PolarHBondContact O-N 2.71Å; N805-L808 PolarHBondContact OD1-N 3.33Å; N805-A809 PolarHBondContact O-N 3.33Å
806	E	88.5	Confident	87.7	Confident	51 Å²	51	50.2 Å²	50.2	24%	0.238	25%	0.252	C	S	.	.	H	α-helix	trans	-50	-36.6	-177.3	-60.2	179.1	133.6	0	0	114.1	S804 L808 C810 F861 K915 Y916	S804-E806 PolarHBondContact O-N 2.88Å; E806-L808 VanDerWaalsContact C-N 3.32Å; E806-C810 WeakPolarHBondContact O-CB 3.32Å; E806-C810 PolarHBondContact O-N 3.42Å; E806-C810 PolarHBondContact O-SG 3.49Å; E806-F861 HydrophobicContact CB-CE2 4.39Å; E806-F861 HydrophobicContact CB-CZ 4.14Å; E806-F861 HydrophobicContact CG-CE2 4.4Å; E806-F861 HydrophobicContact CG-CZ 4.27Å; E806-K915 IonicContact OE1-NZ 3.96Å; E806-K915 PolarHBondContact OE1-NZ 3.36Å; E806-K915 WeakPolarHBondContact OE2-CD 3.46Å; E806-K915 WeakPolarHBondContact OE2-CE 3.44Å; E806-K915 IonicContact OE2-NZ 2.75Å; E806-K915 PolarHBondContact OE2-NZ 2.95Å; E806-Y916 HydrophobicContact CB-CE1 4.44Å; E806-Y916 PolarHBondContact OE1-OH 3.46Å
807	K	87.6	Confident	87.7	Confident	112 Å²	112	47.8 Å²	47.8	49%	0.487	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-41.7	178.7	-174.1	-174.3	175.2	-171	0	110.2	N805 I811	N805-K807 PolarHBondContact O-N 3.13Å; N805-K807 PolarHBondContact OD1-N 2.94Å; K807-I811 HydrophobicContact CG-CD1 4.1Å; K807-I811 WeakPolarHBondContact O-CD1 3.46Å; K807-I811 VanDerWaalsContact O-CG1 3.31Å; K807-I811 WeakPolarHBondContact O-CG1 3.47Å; K807-I811 PolarHBondContact O-N 3.49Å
808	L	85.6	Confident	87.7	Confident	18 Å²	18	43 Å²	43	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-51.7	177.7	-170.8	76.3	0	0	0	109.8	P764 W767 Y802 N805 E806 C810 I811 L812	P764-L808 HydrophobicContact CB-CD1 4.14Å; P764-L808 VanDerWaalsContact O-CD1 3.3Å; P764-L808 WeakPolarHBondContact O-CD1 3.06Å; W767-L808 HydrophobicContact CH2-CB 4.17Å; W767-L808 HydrophobicContact CH2-CD1 3.42Å; W767-L808 VanDerWaalsContact CH2-CD1 3.42Å; W767-L808 HydrophobicContact CH2-CG 3.87Å; W767-L808 WeakPolarHBondContact CH2-O 3.03Å; W767-L808 HydrophobicContact CZ2-CB 3.98Å; W767-L808 HydrophobicContact CZ2-CD1 3.06Å; W767-L808 HydrophobicContact CZ2-CG 3.83Å; W767-L808 HydrophobicContact CZ3-CD1 4.44Å; Y802-L808 HydrophobicContact CD1-CD2 3.36Å; Y802-L808 HydrophobicContact CD1-CG 4.31Å; Y802-L808 HydrophobicContact CE1-CD2 4.21Å; Y802-L808 HydrophobicContact CG-CD2 3.68Å; Y802-L808 HydrophobicContact CG-CG 4.22Å; N805-L808 HydrophobicContact CB-CB 3.84Å; N805-L808 HydrophobicContact CB-CD2 3.91Å; N805-L808 CarbonylContact O-C 3.55Å; N805-L808 WeakPolarHBondContact O-CA 3.38Å; N805-L808 WeakPolarHBondContact O-CB 3.26Å; N805-L808 PolarHBondContact O-N 2.71Å; N805-L808 PolarHBondContact OD1-N 3.33Å; E806-L808 VanDerWaalsContact C-N 3.32Å; L808-C810 VanDerWaalsContact C-N 3.27Å; L808-C810 PolarHBondContact O-N 3.35Å; L808-C810 VanDerWaalsContact O-N 3.13Å; L808-I811 PolarHBondContact O-N 3.43Å; L808-L812 PolarHBondContact O-N 3.3Å
809	A	89	Confident	87.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-51.1	-43.4	174.6	0	0	0	0	0	113.5	F799 N805 M813 F861	F799-A809 HydrophobicContact CE2-CB 4.31Å; F799-A809 HydrophobicContact CZ-CB 4.04Å; N805-A809 PolarHBondContact O-N 3.33Å; A809-M813 WeakPolarHBondContact O-CE 3.29Å; A809-M813 WeakPolarHBondContact O-CG 3.14Å; A809-M813 PolarHBondContact O-N 3.03Å; A809-F861 HydrophobicContact CB-CD2 3.4Å; A809-F861 VanDerWaalsContact CB-CD2 3.4Å; A809-F861 HydrophobicContact CB-CE2 3.48Å; A809-F861 VanDerWaalsContact CB-CE2 3.48Å; A809-F861 HydrophobicContact CB-CG 4.13Å; A809-F861 HydrophobicContact CB-CZ 4.23Å
810	C	89.9	Confident	87.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-46.7	175.2	-67	0	0	0	0	113.3	E806 L808 M813 N814 R919 C920	E806-C810 WeakPolarHBondContact O-CB 3.32Å; E806-C810 PolarHBondContact O-N 3.42Å; E806-C810 PolarHBondContact O-SG 3.49Å; L808-C810 VanDerWaalsContact C-N 3.27Å; L808-C810 PolarHBondContact O-N 3.35Å; L808-C810 VanDerWaalsContact O-N 3.13Å; C810-M813 PolarHBondContact O-N 3.4Å; C810-N814 PolarHBondContact O-N 3.13Å; C810-N814 PolarHBondContact O-ND2 3.43Å; C810-N814 PolarHBondContact O-OD1 2.82Å; C810-R919 HydrophobicContact CB-CB 4.08Å; C810-C920 VanDerWaalsContact SG-SG 3.6Å
811	I	86.3	Confident	87.8	Confident	31 Å²	31	41.7 Å²	41.7	16%	0.159	21%	0.212	C	C	.	.	H	α-helix	trans	-72	-35.4	-177.4	-60.2	161.2	0	0	0	110.9	W767 K807 L808 M813 N814 N815	W767-I811 HydrophobicContact CD2-CB 4.46Å; W767-I811 HydrophobicContact CD2-CG2 3.73Å; W767-I811 HydrophobicContact CE3-CB 4.21Å; W767-I811 HydrophobicContact CE3-CG2 3.47Å; W767-I811 VanDerWaalsContact CE3-CG2 3.47Å; W767-I811 HydrophobicContact CH2-CB 3.37Å; W767-I811 HydrophobicContact CH2-CG2 3.63Å; W767-I811 HydrophobicContact CZ2-CB 3.54Å; W767-I811 HydrophobicContact CZ2-CD1 3.79Å; W767-I811 HydrophobicContact CZ2-CG1 4.25Å; W767-I811 HydrophobicContact CZ2-CG2 3.75Å; W767-I811 HydrophobicContact CZ3-CB 3.67Å; W767-I811 HydrophobicContact CZ3-CG2 3.42Å; W767-I811 VanDerWaalsContact CZ3-CG2 3.42Å; K807-I811 HydrophobicContact CG-CD1 4.1Å; K807-I811 WeakPolarHBondContact O-CD1 3.46Å; K807-I811 VanDerWaalsContact O-CG1 3.31Å; K807-I811 WeakPolarHBondContact O-CG1 3.47Å; K807-I811 PolarHBondContact O-N 3.49Å; L808-I811 PolarHBondContact O-N 3.43Å; I811-M813 VanDerWaalsContact C-N 3.33Å; I811-M813 PolarHBondContact O-N 3.22Å; I811-N814 PolarHBondContact O-N 3.24Å; I811-N815 VanDerWaalsContact O-CG 3.27Å; I811-N815 PolarHBondContact O-N 2.83Å; I811-N815 PolarHBondContact O-OD1 3.18Å
812	L	86.4	Confident	87.7	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.052	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-43.2	173.5	-77.5	173.4	0	0	0	111.3	W767 V795 F799 Y802 L808 N815 V816	W767-L812 HydrophobicContact CE3-CD2 4.33Å; W767-L812 HydrophobicContact CH2-CB 4.43Å; W767-L812 HydrophobicContact CH2-CD2 4.2Å; W767-L812 HydrophobicContact CH2-CG 3.73Å; W767-L812 HydrophobicContact CZ3-CB 4.16Å; W767-L812 HydrophobicContact CZ3-CD2 3.52Å; W767-L812 HydrophobicContact CZ3-CG 3.5Å; W767-L812 VanDerWaalsContact CZ3-N 3.33Å; V795-L812 HydrophobicContact CG1-CB 4.16Å; V795-L812 HydrophobicContact CG1-CD2 4.06Å; V795-L812 HydrophobicContact CG1-CG 4.48Å; V795-L812 HydrophobicContact CG2-CD2 4.06Å; F799-L812 HydrophobicContact CD2-CB 4.03Å; F799-L812 HydrophobicContact CD2-CD1 3.69Å; F799-L812 HydrophobicContact CD2-CG 4.5Å; F799-L812 HydrophobicContact CE2-CB 3.9Å; F799-L812 HydrophobicContact CE2-CD1 4.19Å; Y802-L812 HydrophobicContact CD2-CD1 3.71Å; Y802-L812 HydrophobicContact CG-CD1 4.22Å; L808-L812 PolarHBondContact O-N 3.3Å; L812-N815 PolarHBondContact O-N 2.51Å; L812-V816 PolarHBondContact O-N 3.46Å
813	M	90.2	Very high	87.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-40.4	175.1	-68.3	-174.3	-70.7	0	0	112.4	F799 A809 C810 I811 N815 V816 Q817 L854 L857 F861 V924	F799-M813 HydrophobicContact CE2-CG 4.02Å; F799-M813 HydrophobicContact CZ-CG 3.99Å; F799-M813 HydrophobicContact CZ-SD 4.24Å; A809-M813 WeakPolarHBondContact O-CE 3.29Å; A809-M813 WeakPolarHBondContact O-CG 3.14Å; A809-M813 PolarHBondContact O-N 3.03Å; C810-M813 PolarHBondContact O-N 3.4Å; I811-M813 VanDerWaalsContact C-N 3.33Å; I811-M813 PolarHBondContact O-N 3.22Å; M813-N815 VanDerWaalsContact C-N 3.32Å; M813-N815 PolarHBondContact O-N 3.19Å; M813-V816 PolarHBondContact O-N 3.48Å; M813-Q817 PolarHBondContact O-N 3.25Å; M813-L854 HydrophobicContact CB-CD1 3.9Å; M813-L854 HydrophobicContact CG-CD1 4.34Å; M813-L854 WeakPolarHBondContact O-CD1 3.45Å; M813-L857 HydrophobicContact CG-CB 3.85Å; M813-L857 HydrophobicContact CG-CD1 4.33Å; M813-L857 HydrophobicContact SD-CB 4.37Å; M813-F861 HydrophobicContact CE-CB 4.15Å; M813-F861 HydrophobicContact CE-CD1 3.57Å; M813-F861 HydrophobicContact CE-CE1 4.2Å; M813-F861 HydrophobicContact CE-CG 3.95Å; M813-F861 HydrophobicContact SD-CB 4.31Å; M813-V924 HydrophobicContact CB-CG1 3.57Å; M813-V924 HydrophobicContact CB-CG2 4.39Å; M813-V924 HydrophobicContact CE-CG1 4.21Å; M813-V924 HydrophobicContact CG-CG1 4.46Å; M813-V924 HydrophobicContact SD-CG1 4.17Å
814	N	89.9	Confident	87.8	Confident	31 Å²	31	41.2 Å²	41.2	17%	0.166	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-38.8	173	-68.2	-16.9	0	0	0	111.9	C810 I811 Q817 Q818 R919 C920 E921	C810-N814 PolarHBondContact O-N 3.13Å; C810-N814 PolarHBondContact O-ND2 3.43Å; C810-N814 PolarHBondContact O-OD1 2.82Å; I811-N814 PolarHBondContact O-N 3.24Å; N814-Q817 CarbonylContact O-C 3.48Å; N814-Q817 PolarHBondContact O-N 3.36Å; N814-Q818 WeakPolarHBondContact O-CB 3.41Å; N814-Q818 PolarHBondContact O-N 2.9Å; N814-R919 PolarHBondContact ND2-O 3.16Å; N814-C920 WeakPolarHBondContact OD1-CA 3.48Å; N814-E921 PolarHBondContact OD1-N 3.29Å
815	N	87.4	Confident	87.8	Confident	40 Å²	40	41 Å²	41	21%	0.214	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-45.8	178.3	-72.9	1.7	0	0	0	111.5	Y791 I811 L812 M813 Q817 Q818 L819	Y791-N815 HydrophobicContact CE1-CB 4.3Å; Y791-N815 PolarHBondContact OH-ND2 2.94Å; I811-N815 VanDerWaalsContact O-CG 3.27Å; I811-N815 PolarHBondContact O-N 2.83Å; I811-N815 PolarHBondContact O-OD1 3.18Å; L812-N815 PolarHBondContact O-N 2.51Å; M813-N815 VanDerWaalsContact C-N 3.32Å; M813-N815 PolarHBondContact O-N 3.19Å; N815-Q817 VanDerWaalsContact C-N 3.3Å; N815-Q817 PolarHBondContact O-N 3.28Å; N815-Q818 WeakPolarHBondContact O-CB 3.27Å; N815-Q818 PolarHBondContact O-N 2.97Å; N815-Q818 VanDerWaalsContact O-N 3.14Å; N815-L819 WeakPolarHBondContact O-CG 3.47Å; N815-L819 PolarHBondContact O-N 3.14Å
816	V	88.2	Confident	87.5	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-37.5	176	176	0	0	0	0	111.4	V795 L812 M813 L819 R820 V853 L854 L857	V795-V816 HydrophobicContact CB-CG2 4.44Å; V795-V816 HydrophobicContact CG1-CG2 4.07Å; L812-V816 PolarHBondContact O-N 3.46Å; M813-V816 PolarHBondContact O-N 3.48Å; V816-L819 PolarHBondContact O-N 2.79Å; V816-R820 PolarHBondContact O-N 3.42Å; V816-V853 HydrophobicContact CG1-CG1 4.32Å; V816-L854 HydrophobicContact CG1-CB 4.04Å; V816-L857 HydrophobicContact CB-CD1 4.42Å; V816-L857 HydrophobicContact CG2-CD1 3.83Å
817	Q	89.4	Confident	87.3	Confident	10 Å²	10	39.5 Å²	39.5	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-39.3	172.3	172	58.5	16.3	0	0	112.3	M813 N814 N815 L819 R820 V821 L854 E921 T923 V924	M813-Q817 PolarHBondContact O-N 3.25Å; N814-Q817 CarbonylContact O-C 3.48Å; N814-Q817 PolarHBondContact O-N 3.36Å; N815-Q817 VanDerWaalsContact C-N 3.3Å; N815-Q817 PolarHBondContact O-N 3.28Å; Q817-L819 VanDerWaalsContact C-N 3.33Å; Q817-L819 PolarHBondContact O-N 2.86Å; Q817-R820 WeakPolarHBondContact O-CB 3.15Å; Q817-R820 PolarHBondContact O-N 2.86Å; Q817-R820 VanDerWaalsContact O-N 3.11Å; Q817-V821 PolarHBondContact O-N 2.81Å; Q817-V821 VanDerWaalsContact O-N 3.15Å; Q817-L854 HydrophobicContact CB-CD2 3.93Å; Q817-E921 WeakPolarHBondContact CG-OE1 3.45Å; Q817-E921 WeakPolarHBondContact CG-OE2 3.31Å; Q817-E921 PolarHBondContact NE2-OE1 2.86Å; Q817-T923 PolarHBondContact NE2-OG1 2.98Å; Q817-V924 HydrophobicContact CB-CG2 3.72Å; Q817-V924 HydrophobicContact CG-CG2 4.09Å
818	Q	86.5	Confident	87.3	Confident	62 Å²	62	40.5 Å²	40.5	29%	0.29	19%	0.192	S	C	.	.	H	α-helix	trans	-65.4	-34.8	175.5	179.8	68.2	-12.3	0	0	111.9	N814 N815 R820 V821 Q822	N814-Q818 WeakPolarHBondContact O-CB 3.41Å; N814-Q818 PolarHBondContact O-N 2.9Å; N815-Q818 WeakPolarHBondContact O-CB 3.27Å; N815-Q818 PolarHBondContact O-N 2.97Å; N815-Q818 VanDerWaalsContact O-N 3.14Å; Q818-R820 VanDerWaalsContact C-N 3.25Å; Q818-R820 PolarHBondContact O-N 3.29Å; Q818-V821 PolarHBondContact O-N 2.85Å; Q818-Q822 HydrophobicContact CG-CG 4.29Å; Q818-Q822 WeakPolarHBondContact O-CG 3.25Å; Q818-Q822 PolarHBondContact O-N 3.42Å
819	L	87.4	Confident	87.2	Confident	33 Å²	33	44.7 Å²	44.7	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-41	171.1	-64.4	-167	0	0	0	111.4	L788 Y791 N815 V816 Q817 Q822 L823 L850	L788-L819 HydrophobicContact CD2-CD1 4.13Å; L788-L819 HydrophobicContact CD2-CD2 3.97Å; L788-L819 HydrophobicContact CD2-CG 4.46Å; Y791-L819 HydrophobicContact CD1-CD1 3.53Å; Y791-L819 HydrophobicContact CD1-CG 4.38Å; Y791-L819 HydrophobicContact CE1-CD1 4.24Å; Y791-L819 HydrophobicContact CG-CD1 4.14Å; N815-L819 WeakPolarHBondContact O-CG 3.47Å; N815-L819 PolarHBondContact O-N 3.14Å; V816-L819 PolarHBondContact O-N 2.79Å; Q817-L819 VanDerWaalsContact C-N 3.33Å; Q817-L819 PolarHBondContact O-N 2.86Å; L819-Q822 PolarHBondContact O-N 2.99Å; L819-L823 WeakPolarHBondContact O-CB 3.28Å; L819-L823 PolarHBondContact O-N 3.21Å; L819-L850 HydrophobicContact CB-CD1 4.2Å; L819-L850 HydrophobicContact CD1-CD2 4.35Å
820	R	91.3	Very high	86.6	Confident	47 Å²	47	45.8 Å²	45.8	18%	0.177	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-44.1	176.9	-62	174.6	66.2	-139.7	0.3	111.9	V816 Q817 Q818 L823 E824 Q847 L850	V816-R820 PolarHBondContact O-N 3.42Å; Q817-R820 WeakPolarHBondContact O-CB 3.15Å; Q817-R820 PolarHBondContact O-N 2.86Å; Q817-R820 VanDerWaalsContact O-N 3.11Å; Q818-R820 VanDerWaalsContact C-N 3.25Å; Q818-R820 PolarHBondContact O-N 3.29Å; R820-L823 PolarHBondContact O-N 3.4Å; R820-E824 PolarHBondContact O-N 3.04Å; R820-E824 VanDerWaalsContact O-N 3.13Å; R820-Q847 PolarHBondContact O-NE2 3.06Å; R820-L850 HydrophobicContact CG-CB 3.5Å; R820-L850 HydrophobicContact CG-CD1 4.05Å; R820-L850 HydrophobicContact CG-CG 4.43Å
821	V	88.9	Confident	86.2	Confident	39 Å²	39	50.5 Å²	50.5	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-66.3	-39	178.9	176.2	0	0	0	0	111.7	Q817 Q818 K825	Q817-V821 PolarHBondContact O-N 2.81Å; Q817-V821 VanDerWaalsContact O-N 3.15Å; Q818-V821 PolarHBondContact O-N 2.85Å; V821-K825 WeakPolarHBondContact O-CG 3.17Å; V821-K825 PolarHBondContact O-N 3.06Å
822	Q	84.1	Confident	86	Confident	76 Å²	76	49.1 Å²	49.1	36%	0.355	24%	0.242	S	C	.	.	H	α-helix	trans	-73.8	-34.1	177.5	-64.4	-62.9	-16.2	0	0	112.4	Q818 L819 E824 K825 M826	Q818-Q822 HydrophobicContact CG-CG 4.29Å; Q818-Q822 WeakPolarHBondContact O-CG 3.25Å; Q818-Q822 PolarHBondContact O-N 3.42Å; L819-Q822 PolarHBondContact O-N 2.99Å; Q822-E824 VanDerWaalsContact C-N 3.32Å; Q822-E824 PolarHBondContact O-N 2.87Å; Q822-K825 PolarHBondContact O-N 3.18Å; Q822-M826 WeakPolarHBondContact O-CB 3.49Å; Q822-M826 PolarHBondContact O-N 2.85Å
823	L	87	Confident	86	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-62.9	-37.3	173.9	178.4	64.3	0	0	0	112.3	V784 L788 L819 R820 M826 Y827 M843 L846 Q847 L850	V784-L823 HydrophobicContact CG1-CD1 3.77Å; L788-L823 HydrophobicContact CD1-CB 4.26Å; L788-L823 HydrophobicContact CD1-CD1 3.96Å; L788-L823 HydrophobicContact CD1-CD2 4.47Å; L788-L823 HydrophobicContact CD1-CG 4.47Å; L819-L823 WeakPolarHBondContact O-CB 3.28Å; L819-L823 PolarHBondContact O-N 3.21Å; R820-L823 PolarHBondContact O-N 3.4Å; L823-M826 PolarHBondContact O-N 3.38Å; L823-Y827 WeakPolarHBondContact O-CB 3.44Å; L823-Y827 PolarHBondContact O-N 3.22Å; L823-M843 HydrophobicContact CD1-CE 3.33Å; L823-M843 HydrophobicContact CD1-SD 3.71Å; L823-M843 HydrophobicContact CG-CE 4.17Å; L823-L846 HydrophobicContact CD1-CD2 3.82Å; L823-L846 HydrophobicContact CD2-CB 4.02Å; L823-L846 HydrophobicContact CD2-CD2 3.7Å; L823-L846 HydrophobicContact CD2-CG 3.59Å; L823-L846 HydrophobicContact CG-CD2 4.44Å; L823-Q847 HydrophobicContact CD2-CG 3.83Å; L823-Q847 HydrophobicContact CG-CG 4.39Å; L823-L850 HydrophobicContact CD2-CD1 3.87Å
824	E	87	Confident	85.6	Confident	114 Å²	114	59.1 Å²	59.1	53%	0.533	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-44.9	174.6	-168.9	165.3	-146.9	0	0	111.6	R820 Q822 M826 Y827 E828	R820-E824 PolarHBondContact O-N 3.04Å; R820-E824 VanDerWaalsContact O-N 3.13Å; Q822-E824 VanDerWaalsContact C-N 3.32Å; Q822-E824 PolarHBondContact O-N 2.87Å; E824-M826 VanDerWaalsContact C-N 3.34Å; E824-M826 PolarHBondContact O-N 2.63Å; E824-Y827 WeakPolarHBondContact O-CB 3.34Å; E824-Y827 PolarHBondContact O-N 3.31Å; E824-E828 PolarHBondContact O-N 2.93Å
825	K	85	Confident	84.9	Confident	103 Å²	103	58.9 Å²	58.9	45%	0.448	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-37.3	173.4	-68	176.1	-178.7	-179.2	0	113.3	V821 Q822 Y827 E828 T829	V821-K825 WeakPolarHBondContact O-CG 3.17Å; V821-K825 PolarHBondContact O-N 3.06Å; Q822-K825 PolarHBondContact O-N 3.18Å; K825-Y827 VanDerWaalsContact C-N 3.35Å; K825-E828 PolarHBondContact O-N 3.35Å; K825-T829 WeakPolarHBondContact O-CB 3.4Å; K825-T829 PolarHBondContact O-N 3.04Å; K825-T829 PolarHBondContact O-OG1 3.11Å
826	M	82.9	Confident	84.3	Confident	58 Å²	58	61.4 Å²	61.4	29%	0.286	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-40.2	176.5	-164	-172.8	-92.2	0	0	110.5	V784 Q822 L823 E824 T829 M830	V784-M826 HydrophobicContact CG1-SD 4Å; V784-M826 HydrophobicContact CG2-CE 4.49Å; V784-M826 HydrophobicContact CG2-SD 3.65Å; Q822-M826 WeakPolarHBondContact O-CB 3.49Å; Q822-M826 PolarHBondContact O-N 2.85Å; L823-M826 PolarHBondContact O-N 3.38Å; E824-M826 VanDerWaalsContact C-N 3.34Å; E824-M826 PolarHBondContact O-N 2.63Å; M826-T829 PolarHBondContact O-N 3.12Å; M826-M830 HydrophobicContact CB-CE 4.43Å; M826-M830 HydrophobicContact CG-CE 3.84Å; M826-M830 HydrophobicContact CG-SD 4.27Å; M826-M830 WeakPolarHBondContact O-CE 3.46Å; M826-M830 VanDerWaalsContact O-CG 3.29Å; M826-M830 WeakPolarHBondContact O-CG 3.3Å; M826-M830 PolarHBondContact O-N 2.88Å; M826-M830 HydrophobicContact SD-CE 4.31Å
827	Y	84	Confident	83.7	Confident	43 Å²	43	65.8 Å²	65.8	17%	0.169	34%	0.342	C	S	.	.	H	α-helix	trans	-58.1	-48.5	171.9	173.8	-105.7	0	0	0	112	L823 E824 K825 T829 M830 G832 L835 Q840 M843	L823-Y827 WeakPolarHBondContact O-CB 3.44Å; L823-Y827 PolarHBondContact O-N 3.22Å; E824-Y827 WeakPolarHBondContact O-CB 3.34Å; E824-Y827 PolarHBondContact O-N 3.31Å; K825-Y827 VanDerWaalsContact C-N 3.35Å; Y827-T829 VanDerWaalsContact C-N 3.31Å; Y827-T829 PolarHBondContact O-N 3.19Å; Y827-M830 CarbonylContact O-C 3.19Å; Y827-M830 PolarHBondContact O-N 3.39Å; Y827-G832 WeakPolarHBondContact CE2-O 3.39Å; Y827-G832 VanDerWaalsContact CZ-C 3.47Å; Y827-G832 VanDerWaalsContact CZ-O 3.26Å; Y827-G832 VanDerWaalsContact O-CA 3.24Å; Y827-G832 WeakPolarHBondContact O-CA 3.27Å; Y827-G832 PolarHBondContact O-N 3.11Å; Y827-G832 PolarHBondContact OH-O 3.2Å; Y827-L835 HydrophobicContact CD2-CD2 4.23Å; Y827-L835 HydrophobicContact CE2-CD2 4.26Å; Y827-Q840 HydrophobicContact CE2-CB 4.42Å; Y827-Q840 HydrophobicContact CE2-CG 4.09Å; Y827-Q840 PolarHBondContact OH-OE1 3.23Å; Y827-M843 HydrophobicContact CD2-CB 4.19Å; Y827-M843 HydrophobicContact CD2-CE 4.48Å; Y827-M843 HydrophobicContact CD2-CG 4.37Å
828	E	86.1	Confident	82.8	Confident	132 Å²	132	70.6 Å²	70.6	62%	0.617	37%	0.368	S	S	*	.	H	α-helix	trans	-59.4	-39.3	174.3	-67.9	176.6	158.7	0	0	112.6	E824 K825 M830 D831	E824-E828 PolarHBondContact O-N 2.93Å; K825-E828 PolarHBondContact O-N 3.35Å; E828-M830 VanDerWaalsContact C-N 3.29Å; E828-M830 PolarHBondContact O-N 3.03Å; E828-D831 PolarHBondContact O-N 3.35Å
829	T	84.2	Confident	82.2	Confident	106 Å²	106	67.9 Å²	67.9	65%	0.65	36%	0.357	S	S	*	.	H	α-helix	trans	-69.4	-26.5	178.6	-53.7	0	0	0	0	112.6	K825 M826 Y827 D831	K825-T829 WeakPolarHBondContact O-CB 3.4Å; K825-T829 PolarHBondContact O-N 3.04Å; K825-T829 PolarHBondContact O-OG1 3.11Å; M826-T829 PolarHBondContact O-N 3.12Å; Y827-T829 VanDerWaalsContact C-N 3.31Å; Y827-T829 PolarHBondContact O-N 3.19Å; T829-D831 PolarHBondContact O-N 3.34Å
830	M	77.6	Confident	81.8	Confident	24 Å²	24	67.9 Å²	67.9	12%	0.118	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	33.7	175.8	-63.8	-178.9	-60.9	0	0	112.4	L778 F781 M826 Y827 E828 G832 M843	L778-M830 HydrophobicContact CD1-CG 4.2Å; F781-M830 HydrophobicContact CD1-CE 3.96Å; F781-M830 HydrophobicContact CD1-SD 4.23Å; F781-M830 HydrophobicContact CE1-CB 4.41Å; F781-M830 HydrophobicContact CE1-CE 3.36Å; F781-M830 HydrophobicContact CE1-SD 3.41Å; F781-M830 WeakPolarHBondContact CE1-SD 3.42Å; F781-M830 HydrophobicContact CZ-CB 4.43Å; F781-M830 HydrophobicContact CZ-CE 4.27Å; F781-M830 HydrophobicContact CZ-SD 3.74Å; M826-M830 HydrophobicContact CB-CE 4.43Å; M826-M830 HydrophobicContact CG-CE 3.84Å; M826-M830 HydrophobicContact CG-SD 4.27Å; M826-M830 WeakPolarHBondContact O-CE 3.46Å; M826-M830 VanDerWaalsContact O-CG 3.29Å; M826-M830 WeakPolarHBondContact O-CG 3.3Å; M826-M830 PolarHBondContact O-N 2.88Å; M826-M830 HydrophobicContact SD-CE 4.31Å; Y827-M830 CarbonylContact O-C 3.19Å; Y827-M830 PolarHBondContact O-N 3.39Å; E828-M830 VanDerWaalsContact C-N 3.29Å; E828-M830 PolarHBondContact O-N 3.03Å; M830-G832 PolarHBondContact O-N 2.77Å; M830-M843 HydrophobicContact CE-CE 3.35Å; M830-M843 HydrophobicContact CE-SD 4.02Å
831	D	79.6	Confident	81.4	Confident	98 Å²	98	71.3 Å²	71.3	52%	0.524	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	11.8	179.4	-150.3	7.9	0	0	0	115.3	E828 T829 P833 N834	E828-D831 PolarHBondContact O-N 3.35Å; T829-D831 PolarHBondContact O-N 3.34Å; D831-P833 VanDerWaalsContact O-CD 3.28Å; D831-P833 WeakPolarHBondContact O-CD 3.48Å; D831-P833 VanDerWaalsContact O-N 3.07Å; D831-N834 HydrophobicContact CB-CB 4.25Å; D831-N834 WeakPolarHBondContact O-CB 3.39Å; D831-N834 PolarHBondContact O-N 2.88Å; D831-N834 PolarHBondContact OD1-ND2 3.32Å; D831-N834 WeakPolarHBondContact OD2-CB 3.37Å
832	G	83.5	Confident	81	Confident	2 Å²	2	72.1 Å²	72.1	2%	0.021	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	47.6	-109.4	166.7	0	0	0	0	0	114.6	Y827 M830 N834 L835	Y827-G832 WeakPolarHBondContact CE2-O 3.39Å; Y827-G832 VanDerWaalsContact CZ-C 3.47Å; Y827-G832 VanDerWaalsContact CZ-O 3.26Å; Y827-G832 VanDerWaalsContact O-CA 3.24Å; Y827-G832 WeakPolarHBondContact O-CA 3.27Å; Y827-G832 PolarHBondContact O-N 3.11Å; Y827-G832 PolarHBondContact OH-O 3.2Å; M830-G832 PolarHBondContact O-N 2.77Å; G832-N834 VanDerWaalsContact C-N 3.28Å; G832-N834 PolarHBondContact O-N 3.02Å; G832-L835 VanDerWaalsContact O-CB 3.22Å; G832-L835 WeakPolarHBondContact O-CB 3.48Å; G832-L835 PolarHBondContact O-N 2.86Å
833	P	85.9	Confident	80.9	Confident	102 Å²	102	68.7 Å²	68.7	66%	0.662	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-69.8	-18	-178.7	31.6	-36.8	0	0	0	114.8	D831 L835 Q840	D831-P833 VanDerWaalsContact O-CD 3.28Å; D831-P833 WeakPolarHBondContact O-CD 3.48Å; D831-P833 VanDerWaalsContact O-N 3.07Å; P833-L835 VanDerWaalsContact C-N 3.32Å; P833-Q840 PolarHBondContact O-NE2 3.45Å
834	N	81.5	Confident	81	Confident	119 Å²	119	74.1 Å²	74.1	64%	0.636	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-84.9	-9.3	178.1	-58.4	-36.8	0	0	0	112.7	D831 G832	D831-N834 HydrophobicContact CB-CB 4.25Å; D831-N834 WeakPolarHBondContact O-CB 3.39Å; D831-N834 PolarHBondContact O-N 2.88Å; D831-N834 PolarHBondContact OD1-ND2 3.32Å; D831-N834 WeakPolarHBondContact OD2-CB 3.37Å; G832-N834 VanDerWaalsContact C-N 3.28Å; G832-N834 PolarHBondContact O-N 3.02Å
835	L	76.4	Confident	81	Confident	26 Å²	26	70.1 Å²	70.1	14%	0.136	38%	0.377	C	S	.	.	S	Bend	trans	-65.1	153.2	178.8	179.9	61.2	0	0	0	111.9	F781 Y827 G832 P833 A839 Q840	F781-L835 HydrophobicContact CD1-CD2 4.3Å; F781-L835 HydrophobicContact CE1-CD1 4Å; F781-L835 HydrophobicContact CE1-CD2 3.4Å; F781-L835 HydrophobicContact CE1-CG 4.27Å; F781-L835 HydrophobicContact CE2-CD1 4Å; F781-L835 HydrophobicContact CZ-CD1 3.34Å; F781-L835 HydrophobicContact CZ-CD2 3.7Å; F781-L835 HydrophobicContact CZ-CG 4.09Å; Y827-L835 HydrophobicContact CD2-CD2 4.23Å; Y827-L835 HydrophobicContact CE2-CD2 4.26Å; G832-L835 VanDerWaalsContact O-CB 3.22Å; G832-L835 WeakPolarHBondContact O-CB 3.48Å; G832-L835 PolarHBondContact O-N 2.86Å; P833-L835 VanDerWaalsContact C-N 3.32Å; L835-A839 HydrophobicContact CD1-CB 4.09Å; L835-A839 HydrophobicContact CD2-CB 3.91Å; L835-A839 HydrophobicContact CG-CB 3.86Å; L835-Q840 HydrophobicContact CB-CG 4.12Å; L835-Q840 HydrophobicContact CD2-CG 4.45Å; L835-Q840 HydrophobicContact CG-CG 4.37Å; L835-Q840 PolarHBondContact O-NE2 3.17Å
836	D	73.4	Confident	81.2	Confident	92 Å²	92	65.3 Å²	65.3	49%	0.492	36%	0.356	S	S	.	.			trans	-47.7	133.4	174	178	85.3	0	0	0	113.1	D838 A839 Q840	D836-D838 VanDerWaalsContact C-N 3.33Å; D836-D838 PolarHBondContact O-N 2.79Å; D836-D838 WeakPolarHBondContact OD2-CB 3.44Å; D836-D838 PolarHBondContact OD2-N 2.89Å; D836-A839 HydrophobicContact CB-CB 4.16Å; D836-A839 WeakPolarHBondContact O-CB 3.29Å; D836-A839 PolarHBondContact O-N 2.82Å; D836-A839 VanDerWaalsContact O-N 3.14Å; D836-A839 PolarHBondContact OD2-N 3.19Å; D836-Q840 WeakPolarHBondContact O-CG 3.42Å; D836-Q840 PolarHBondContact O-N 3.28Å
837	P	75.8	Confident	81.5	Confident	93 Å²	93	64.4 Å²	64.4	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-57.8	-36	-174.9	-27.4	35.9	0	0	0	115.5	Q840 L841	P837-Q840 WeakPolarHBondContact O-CB 3.45Å; P837-Q840 PolarHBondContact O-N 3.2Å; P837-L841 WeakPolarHBondContact O-CB 3.38Å; P837-L841 PolarHBondContact O-N 2.7Å
838	D	71.4	Confident	81.9	Confident	110 Å²	110	65.4 Å²	65.4	59%	0.588	36%	0.364	S	S	*	.	H	α-helix	trans	-72.4	-38.5	179.3	-71.7	-24	0	0	0	110.2	D836 L841 I842	D836-D838 VanDerWaalsContact C-N 3.33Å; D836-D838 PolarHBondContact O-N 2.79Å; D836-D838 WeakPolarHBondContact OD2-CB 3.44Å; D836-D838 PolarHBondContact OD2-N 2.89Å; D838-L841 WeakPolarHBondContact O-CB 3.49Å; D838-L841 PolarHBondContact O-N 2.95Å; D838-I842 VanDerWaalsContact O-CG1 3.32Å; D838-I842 WeakPolarHBondContact O-CG1 3.43Å; D838-I842 PolarHBondContact O-N 2.81Å
839	A	74.1	Confident	82.2	Confident	6 Å²	6	64 Å²	64	5%	0.05	36%	0.356	C	S	.	.	H	α-helix	trans	-62.2	-41.5	170.4	0	0	0	0	0	111.8	F781 L835 D836 L841 I842 M843	F781-A839 HydrophobicContact CD1-CB 3.85Å; F781-A839 HydrophobicContact CD2-CB 3.58Å; F781-A839 HydrophobicContact CE1-CB 3.98Å; F781-A839 HydrophobicContact CE2-CB 3.74Å; F781-A839 HydrophobicContact CG-CB 3.67Å; F781-A839 HydrophobicContact CZ-CB 3.96Å; L835-A839 HydrophobicContact CD1-CB 4.09Å; L835-A839 HydrophobicContact CD2-CB 3.91Å; L835-A839 HydrophobicContact CG-CB 3.86Å; D836-A839 HydrophobicContact CB-CB 4.16Å; D836-A839 WeakPolarHBondContact O-CB 3.29Å; D836-A839 PolarHBondContact O-N 2.82Å; D836-A839 VanDerWaalsContact O-N 3.14Å; D836-A839 PolarHBondContact OD2-N 3.19Å; A839-L841 VanDerWaalsContact C-N 3.33Å; A839-L841 PolarHBondContact O-N 3.04Å; A839-I842 PolarHBondContact O-N 2.79Å; A839-M843 WeakPolarHBondContact O-CG 3.26Å; A839-M843 PolarHBondContact O-N 2.88Å
840	Q	79.2	Confident	82.6	Confident	32 Å²	32	58.9 Å²	58.9	15%	0.15	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-41.2	172.5	-60.6	-166	30.5	0	0	112.2	Y827 P833 L835 D836 P837 M843 K844	Y827-Q840 HydrophobicContact CE2-CB 4.42Å; Y827-Q840 HydrophobicContact CE2-CG 4.09Å; Y827-Q840 PolarHBondContact OH-OE1 3.23Å; P833-Q840 PolarHBondContact O-NE2 3.45Å; L835-Q840 HydrophobicContact CB-CG 4.12Å; L835-Q840 HydrophobicContact CD2-CG 4.45Å; L835-Q840 HydrophobicContact CG-CG 4.37Å; L835-Q840 PolarHBondContact O-NE2 3.17Å; D836-Q840 WeakPolarHBondContact O-CG 3.42Å; D836-Q840 PolarHBondContact O-N 3.28Å; P837-Q840 WeakPolarHBondContact O-CB 3.45Å; P837-Q840 PolarHBondContact O-N 3.2Å; Q840-M843 PolarHBondContact O-N 2.82Å; Q840-K844 WeakPolarHBondContact O-CB 3.29Å; Q840-K844 VanDerWaalsContact O-CG 3.31Å; Q840-K844 WeakPolarHBondContact O-CG 3.38Å; Q840-K844 PolarHBondContact O-N 3.1Å
841	L	82.6	Confident	83.4	Confident	120 Å²	120	59.2 Å²	59.2	63%	0.628	33%	0.327	S	S	*	.	H	α-helix	trans	-64.4	-43.8	179.5	-176.8	65.2	0	0	0	111.4	P837 D838 A839 K844 G845	P837-L841 WeakPolarHBondContact O-CB 3.38Å; P837-L841 PolarHBondContact O-N 2.7Å; D838-L841 WeakPolarHBondContact O-CB 3.49Å; D838-L841 PolarHBondContact O-N 2.95Å; A839-L841 VanDerWaalsContact C-N 3.33Å; A839-L841 PolarHBondContact O-N 3.04Å; L841-K844 PolarHBondContact O-N 3.21Å; L841-G845 PolarHBondContact O-N 2.94Å
842	I	80	Confident	84.1	Confident	56 Å²	56	57.9 Å²	57.9	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-59.4	-47.9	174.8	-68.6	164.6	0	0	0	110.5	F781 N785 D838 A839 G845 L846	F781-I842 HydrophobicContact CB-CG2 4.41Å; N785-I842 HydrophobicContact CB-CG2 4.02Å; D838-I842 VanDerWaalsContact O-CG1 3.32Å; D838-I842 WeakPolarHBondContact O-CG1 3.43Å; D838-I842 PolarHBondContact O-N 2.81Å; A839-I842 PolarHBondContact O-N 2.79Å; I842-G845 PolarHBondContact O-N 3.02Å; I842-L846 WeakPolarHBondContact O-CB 3.38Å; I842-L846 PolarHBondContact O-N 3.41Å
843	M	82.8	Confident	84.5	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-64.5	-43.3	-178.7	-66.4	-71.1	-75.4	0	0	112.3	F781 L823 Y827 M830 A839 Q840 L846 Q847	F781-M843 HydrophobicContact CD1-CG 3.86Å; F781-M843 HydrophobicContact CD1-SD 3.93Å; F781-M843 HydrophobicContact CE1-CG 4.39Å; L823-M843 HydrophobicContact CD1-CE 3.33Å; L823-M843 HydrophobicContact CD1-SD 3.71Å; L823-M843 HydrophobicContact CG-CE 4.17Å; Y827-M843 HydrophobicContact CD2-CB 4.19Å; Y827-M843 HydrophobicContact CD2-CE 4.48Å; Y827-M843 HydrophobicContact CD2-CG 4.37Å; M830-M843 HydrophobicContact CE-CE 3.35Å; M830-M843 HydrophobicContact CE-SD 4.02Å; A839-M843 WeakPolarHBondContact O-CG 3.26Å; A839-M843 PolarHBondContact O-N 2.88Å; Q840-M843 PolarHBondContact O-N 2.82Å; M843-L846 PolarHBondContact O-N 3.19Å; M843-Q847 PolarHBondContact O-N 2.93Å
844	K	87.9	Confident	84.9	Confident	116 Å²	116	53.5 Å²	53.5	50%	0.504	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-38.9	175.4	-70.9	167	-172.3	161.6	0	111.8	Q840 L841 Q847 S848	Q840-K844 WeakPolarHBondContact O-CB 3.29Å; Q840-K844 VanDerWaalsContact O-CG 3.31Å; Q840-K844 WeakPolarHBondContact O-CG 3.38Å; Q840-K844 PolarHBondContact O-N 3.1Å; L841-K844 PolarHBondContact O-N 3.21Å; K844-Q847 PolarHBondContact O-N 2.96Å; K844-S848 PolarHBondContact O-N 2.72Å
845	G	87.9	Confident	85.5	Confident	31 Å²	31	51.4 Å²	51.4	32%	0.32	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-41.1	173.3	0	0	0	0	0	112.7	L841 I842 S848 K849	L841-G845 PolarHBondContact O-N 2.94Å; I842-G845 PolarHBondContact O-N 3.02Å; G845-S848 WeakPolarHBondContact O-CB 3.34Å; G845-S848 PolarHBondContact O-N 3.2Å; G845-K849 WeakPolarHBondContact O-CG 3.41Å; G845-K849 PolarHBondContact O-N 3.43Å
846	L	88	Confident	86.3	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-66.6	-42.1	176.8	-177	59	0	0	0	112.4	V784 N785 L788 L789 L823 I842 M843 S848 K849 L850	V784-L846 HydrophobicContact CG1-CD2 4.2Å; N785-L846 HydrophobicContact CB-CD2 4.15Å; L788-L846 HydrophobicContact CB-CD1 4.48Å; L788-L846 HydrophobicContact CB-CD2 4.38Å; L788-L846 HydrophobicContact CD1-CD2 4.1Å; L789-L846 HydrophobicContact CD1-CD1 4.21Å; L789-L846 HydrophobicContact CD2-CD1 3.58Å; L789-L846 HydrophobicContact CG-CD1 3.55Å; L823-L846 HydrophobicContact CD1-CD2 3.82Å; L823-L846 HydrophobicContact CD2-CB 4.02Å; L823-L846 HydrophobicContact CD2-CD2 3.7Å; L823-L846 HydrophobicContact CD2-CG 3.59Å; L823-L846 HydrophobicContact CG-CD2 4.44Å; I842-L846 WeakPolarHBondContact O-CB 3.38Å; I842-L846 PolarHBondContact O-N 3.41Å; M843-L846 PolarHBondContact O-N 3.19Å; L846-S848 VanDerWaalsContact C-N 3.28Å; L846-S848 PolarHBondContact O-N 3.31Å; L846-K849 PolarHBondContact O-N 2.87Å; L846-L850 HydrophobicContact CD1-CD1 4.46Å; L846-L850 HydrophobicContact CD1-CG 4.3Å; L846-L850 HydrophobicContact CG-CD1 4.28Å; L846-L850 WeakPolarHBondContact O-CG 3.39Å; L846-L850 PolarHBondContact O-N 3.22Å
847	Q	90	Very high	87.3	Confident	39 Å²	39	51.3 Å²	51.3	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-54.7	-43.2	171.8	-82.1	-68.5	-4.5	0	0	112.7	R820 L823 M843 K844 N851	R820-Q847 PolarHBondContact O-NE2 3.06Å; L823-Q847 HydrophobicContact CD2-CG 3.83Å; L823-Q847 HydrophobicContact CG-CG 4.39Å; M843-Q847 PolarHBondContact O-N 2.93Å; K844-Q847 PolarHBondContact O-N 2.96Å; Q847-N851 PolarHBondContact O-N 3.04Å; Q847-N851 VanDerWaalsContact O-N 3.07Å
848	S	92.9	Very high	88.1	Confident	65 Å²	65	47 Å²	47	46%	0.455	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-47.6	176.5	-175.9	0	0	0	0	111.8	K844 G845 L846 L850 N851 N852	K844-S848 PolarHBondContact O-N 2.72Å; G845-S848 WeakPolarHBondContact O-CB 3.34Å; G845-S848 PolarHBondContact O-N 3.2Å; L846-S848 VanDerWaalsContact C-N 3.28Å; L846-S848 PolarHBondContact O-N 3.31Å; S848-L850 PolarHBondContact O-N 3.05Å; S848-N851 WeakPolarHBondContact O-CB 3.3Å; S848-N851 PolarHBondContact O-N 3.43Å; S848-N852 PolarHBondContact O-N 3.01Å; S848-N852 PolarHBondContact O-ND2 3.46Å; S848-N852 PolarHBondContact O-OD1 2.98Å
849	K	92.2	Very high	89.2	Confident	101 Å²	101	45.1 Å²	45.1	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-47.7	176.5	-71.4	175.6	-176.4	176.9	0	112.3	L789 G845 L846 N851 N852 V853	L789-K849 HydrophobicContact CD1-CD 3.88Å; L789-K849 HydrophobicContact CD2-CB 3.83Å; L789-K849 HydrophobicContact CD2-CD 3.77Å; L789-K849 HydrophobicContact CD2-CG 4.44Å; L789-K849 HydrophobicContact CG-CD 4.47Å; G845-K849 WeakPolarHBondContact O-CG 3.41Å; G845-K849 PolarHBondContact O-N 3.43Å; L846-K849 PolarHBondContact O-N 2.87Å; K849-N851 VanDerWaalsContact C-N 3.32Å; K849-N851 PolarHBondContact O-N 3.21Å; K849-N852 PolarHBondContact O-N 3.31Å; K849-N852 VanDerWaalsContact O-N 3.12Å; K849-V853 WeakPolarHBondContact O-CG2 3.14Å; K849-V853 PolarHBondContact O-N 3.13Å
850	L	91.8	Very high	90.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-35.8	178.1	-68.8	174.6	0	0	0	112.4	A792 L819 R820 L823 L846 S848 N852 L854	A792-L850 HydrophobicContact CB-CD2 3.72Å; L819-L850 HydrophobicContact CB-CD1 4.2Å; L819-L850 HydrophobicContact CD1-CD2 4.35Å; R820-L850 HydrophobicContact CG-CB 3.5Å; R820-L850 HydrophobicContact CG-CD1 4.05Å; R820-L850 HydrophobicContact CG-CG 4.43Å; L823-L850 HydrophobicContact CD2-CD1 3.87Å; L846-L850 HydrophobicContact CD1-CD1 4.46Å; L846-L850 HydrophobicContact CD1-CG 4.3Å; L846-L850 HydrophobicContact CG-CD1 4.28Å; L846-L850 WeakPolarHBondContact O-CG 3.39Å; L846-L850 PolarHBondContact O-N 3.22Å; S848-L850 PolarHBondContact O-N 3.05Å; L850-N852 VanDerWaalsContact C-N 3.35Å; L850-L854 WeakPolarHBondContact O-CB 3.4Å; L850-L854 PolarHBondContact O-N 3.18Å
851	N	94.3	Very high	90.8	Very high	31 Å²	31	45.9 Å²	45.9	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-42.2	171.8	178.4	80.7	0	0	0	111.9	Q847 S848 K849 L854 E855 K927	Q847-N851 PolarHBondContact O-N 3.04Å; Q847-N851 VanDerWaalsContact O-N 3.07Å; S848-N851 WeakPolarHBondContact O-CB 3.3Å; S848-N851 PolarHBondContact O-N 3.43Å; K849-N851 VanDerWaalsContact C-N 3.32Å; K849-N851 PolarHBondContact O-N 3.21Å; N851-L854 PolarHBondContact O-N 2.89Å; N851-E855 PolarHBondContact ND2-OE1 3.04Å; N851-E855 WeakPolarHBondContact O-CG 3.13Å; N851-E855 PolarHBondContact O-N 3.46Å; N851-K927 WeakPolarHBondContact OD1-CE 3.39Å; N851-K927 PolarHBondContact OD1-NZ 2.94Å
852	N	94.2	Very high	91.3	Very high	70 Å²	70	40.2 Å²	40.2	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-69.9	-35.6	-179.2	-61.4	-11	0	0	0	111.9	S848 K849 L850 E855 K856	S848-N852 PolarHBondContact O-N 3.01Å; S848-N852 PolarHBondContact O-ND2 3.46Å; S848-N852 PolarHBondContact O-OD1 2.98Å; K849-N852 PolarHBondContact O-N 3.31Å; K849-N852 VanDerWaalsContact O-N 3.12Å; L850-N852 VanDerWaalsContact C-N 3.35Å; N852-E855 PolarHBondContact O-N 3.38Å; N852-K856 WeakPolarHBondContact O-CG 3.48Å; N852-K856 PolarHBondContact O-N 2.77Å; N852-K856 VanDerWaalsContact O-N 3.09Å
853	V	93.2	Very high	91.8	Very high	11 Å²	11	40 Å²	40	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-49.7	170.2	175.5	0	0	0	0	109.8	A792 Q796 V816 K849 E855 K856 L857	A792-V853 HydrophobicContact CB-CB 4.5Å; A792-V853 HydrophobicContact CB-CG1 4.21Å; A792-V853 HydrophobicContact CB-CG2 4.18Å; Q796-V853 HydrophobicContact CB-CG1 4.21Å; Q796-V853 HydrophobicContact CG-CG1 4.43Å; V816-V853 HydrophobicContact CG1-CG1 4.32Å; K849-V853 WeakPolarHBondContact O-CG2 3.14Å; K849-V853 PolarHBondContact O-N 3.13Å; V853-E855 VanDerWaalsContact C-N 3.26Å; V853-E855 PolarHBondContact O-N 2.9Å; V853-K856 WeakPolarHBondContact O-CB 3.17Å; V853-K856 PolarHBondContact O-N 3.43Å; V853-L857 HydrophobicContact CG1-CD1 4.33Å; V853-L857 HydrophobicContact CG1-CG 4.23Å; V853-L857 WeakPolarHBondContact O-CG 3.4Å; V853-L857 PolarHBondContact O-N 3.39Å
854	L	94.1	Very high	92.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.5	-38	178.6	179.9	59.9	0	0	0	112.9	M813 V816 Q817 L850 N851 T858 V924 K927	M813-L854 HydrophobicContact CB-CD1 3.9Å; M813-L854 HydrophobicContact CG-CD1 4.34Å; M813-L854 WeakPolarHBondContact O-CD1 3.45Å; V816-L854 HydrophobicContact CG1-CB 4.04Å; Q817-L854 HydrophobicContact CB-CD2 3.93Å; L850-L854 WeakPolarHBondContact O-CB 3.4Å; L850-L854 PolarHBondContact O-N 3.18Å; N851-L854 PolarHBondContact O-N 2.89Å; L854-T858 WeakPolarHBondContact O-CB 3.46Å; L854-T858 PolarHBondContact O-N 3.36Å; L854-T858 PolarHBondContact O-OG1 2.84Å; L854-V924 HydrophobicContact CD1-CG2 4.15Å; L854-V924 HydrophobicContact CD2-CG2 4.45Å; L854-K927 HydrophobicContact CD2-CD 4Å; L854-K927 HydrophobicContact CG-CD 3.94Å
855	E	93.6	Very high	92.3	Very high	76 Å²	76	37.4 Å²	37.4	36%	0.355	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-45	173.5	-75.8	170.6	-168.4	0	0	112.2	N851 N852 V853 L857 T858 N859 K927	N851-E855 PolarHBondContact ND2-OE1 3.04Å; N851-E855 WeakPolarHBondContact O-CG 3.13Å; N851-E855 PolarHBondContact O-N 3.46Å; N852-E855 PolarHBondContact O-N 3.38Å; V853-E855 VanDerWaalsContact C-N 3.26Å; V853-E855 PolarHBondContact O-N 2.9Å; E855-L857 PolarHBondContact O-N 3.45Å; E855-T858 WeakPolarHBondContact O-CB 3.42Å; E855-T858 PolarHBondContact O-N 2.89Å; E855-N859 PolarHBondContact O-N 3.43Å; E855-N859 PolarHBondContact O-OD1 3.49Å; E855-K927 HydrophobicContact CG-CD 3.9Å; E855-K927 VanDerWaalsContact CG-NZ 3.34Å; E855-K927 IonicContact OE1-NZ 3.48Å; E855-K927 PolarHBondContact OE1-NZ 2.89Å
856	K	93.5	Very high	92.3	Very high	114 Å²	114	40 Å²	40	50%	0.496	22%	0.216	S	C	.	.	H	α-helix	trans	-59.9	-46.6	174.8	-69.7	172.1	-177.9	180	0	112.5	N852 V853 T858 N859 V860	N852-K856 WeakPolarHBondContact O-CG 3.48Å; N852-K856 PolarHBondContact O-N 2.77Å; N852-K856 VanDerWaalsContact O-N 3.09Å; V853-K856 WeakPolarHBondContact O-CB 3.17Å; V853-K856 PolarHBondContact O-N 3.43Å; K856-T858 VanDerWaalsContact C-N 3.3Å; K856-T858 PolarHBondContact O-N 2.78Å; K856-N859 PolarHBondContact O-N 3.3Å; K856-V860 WeakPolarHBondContact O-CG2 3.17Å; K856-V860 PolarHBondContact O-N 3.28Å
857	L	93.9	Very high	92.2	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-44	176.9	-59.8	-174.8	0	0	0	111.2	V795 Q796 F799 M813 V816 V853 E855 N859 V860 F861	V795-L857 HydrophobicContact CG1-CD1 3.72Å; V795-L857 HydrophobicContact CG1-CD2 4.34Å; Q796-L857 HydrophobicContact CB-CD2 4.29Å; Q796-L857 HydrophobicContact CG-CD2 4.16Å; F799-L857 HydrophobicContact CB-CD2 3.82Å; F799-L857 HydrophobicContact CD1-CD2 4.04Å; F799-L857 HydrophobicContact CD2-CB 4.5Å; F799-L857 HydrophobicContact CD2-CD1 4.38Å; F799-L857 HydrophobicContact CD2-CD2 3.8Å; F799-L857 HydrophobicContact CD2-CG 4.44Å; F799-L857 HydrophobicContact CE1-CB 4.23Å; F799-L857 VanDerWaalsContact CE1-O 3.23Å; F799-L857 WeakPolarHBondContact CE1-O 3.46Å; F799-L857 HydrophobicContact CE2-CB 4.18Å; F799-L857 HydrophobicContact CE2-CD1 4.41Å; F799-L857 HydrophobicContact CE2-CD2 4.32Å; F799-L857 HydrophobicContact CG-CD2 3.64Å; F799-L857 HydrophobicContact CZ-CB 4.03Å; M813-L857 HydrophobicContact CG-CB 3.85Å; M813-L857 HydrophobicContact CG-CD1 4.33Å; M813-L857 HydrophobicContact SD-CB 4.37Å; V816-L857 HydrophobicContact CB-CD1 4.42Å; V816-L857 HydrophobicContact CG2-CD1 3.83Å; V853-L857 HydrophobicContact CG1-CD1 4.33Å; V853-L857 HydrophobicContact CG1-CG 4.23Å; V853-L857 WeakPolarHBondContact O-CG 3.4Å; V853-L857 PolarHBondContact O-N 3.39Å; E855-L857 PolarHBondContact O-N 3.45Å; L857-N859 VanDerWaalsContact C-N 3.35Å; L857-N859 PolarHBondContact O-N 2.95Å; L857-V860 PolarHBondContact O-N 3.12Å; L857-F861 WeakPolarHBondContact O-CB 3.38Å; L857-F861 PolarHBondContact O-N 3.09Å
858	T	93.7	Very high	92.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-44.5	177.7	-55.9	0	0	0	0	111.4	L854 E855 K856 F861 A862 K927 L928	L854-T858 WeakPolarHBondContact O-CB 3.46Å; L854-T858 PolarHBondContact O-N 3.36Å; L854-T858 PolarHBondContact O-OG1 2.84Å; E855-T858 WeakPolarHBondContact O-CB 3.42Å; E855-T858 PolarHBondContact O-N 2.89Å; K856-T858 VanDerWaalsContact C-N 3.3Å; K856-T858 PolarHBondContact O-N 2.78Å; T858-F861 PolarHBondContact O-N 3.49Å; T858-A862 WeakPolarHBondContact O-CB 3.25Å; T858-A862 PolarHBondContact O-N 3.13Å; T858-K927 VanDerWaalsContact CG2-C 3.5Å; T858-K927 HydrophobicContact CG2-CB 3.87Å; T858-L928 HydrophobicContact CG2-CB 3.96Å; T858-L928 HydrophobicContact CG2-CD1 4.24Å; T858-L928 VanDerWaalsContact CG2-N 3.32Å
859	N	92.9	Very high	92.2	Very high	72 Å²	72	42.5 Å²	42.5	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-41.4	-179.5	-66.5	-0.5	0	0	0	111.9	E855 K856 L857 A862 A863	E855-N859 PolarHBondContact O-N 3.43Å; E855-N859 PolarHBondContact O-OD1 3.49Å; K856-N859 PolarHBondContact O-N 3.3Å; L857-N859 VanDerWaalsContact C-N 3.35Å; L857-N859 PolarHBondContact O-N 2.95Å; N859-A862 PolarHBondContact O-N 2.68Å; N859-A863 VanDerWaalsContact O-CB 3.27Å; N859-A863 WeakPolarHBondContact O-CB 3.33Å; N859-A863 PolarHBondContact O-N 3.26Å
860	V	93.4	Very high	92.1	Very high	54 Å²	54	42.9 Å²	42.9	33%	0.327	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-42.9	174.4	170.9	0	0	0	0	111.3	F799 N800 V803 K856 L857 A863 S864	F799-V860 HydrophobicContact CD1-CB 4.19Å; F799-V860 HydrophobicContact CD1-CG1 3.8Å; F799-V860 HydrophobicContact CE1-CB 4.18Å; F799-V860 HydrophobicContact CE1-CG1 4.03Å; N800-V860 VanDerWaalsContact OD1-CG1 3.29Å; N800-V860 WeakPolarHBondContact OD1-CG1 3.34Å; V803-V860 HydrophobicContact CG2-CG1 3.72Å; K856-V860 WeakPolarHBondContact O-CG2 3.17Å; K856-V860 PolarHBondContact O-N 3.28Å; L857-V860 PolarHBondContact O-N 3.12Å; V860-A863 PolarHBondContact O-N 2.91Å; V860-S864 PolarHBondContact O-N 2.98Å
861	F	94.5	Very high	91.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69	-39	177.9	-173.3	-118.3	0	0	0	112.8	F799 E806 A809 M813 L857 T858 S864 L865 Y916 L928	F799-F861 HydrophobicContact CE1-CB 4.05Å; F799-F861 HydrophobicContact CZ-CB 4.08Å; E806-F861 HydrophobicContact CB-CE2 4.39Å; E806-F861 HydrophobicContact CB-CZ 4.14Å; E806-F861 HydrophobicContact CG-CE2 4.4Å; E806-F861 HydrophobicContact CG-CZ 4.27Å; A809-F861 HydrophobicContact CB-CD2 3.4Å; A809-F861 VanDerWaalsContact CB-CD2 3.4Å; A809-F861 HydrophobicContact CB-CE2 3.48Å; A809-F861 VanDerWaalsContact CB-CE2 3.48Å; A809-F861 HydrophobicContact CB-CG 4.13Å; A809-F861 HydrophobicContact CB-CZ 4.23Å; M813-F861 HydrophobicContact CE-CB 4.15Å; M813-F861 HydrophobicContact CE-CD1 3.57Å; M813-F861 HydrophobicContact CE-CE1 4.2Å; M813-F861 HydrophobicContact CE-CG 3.95Å; M813-F861 HydrophobicContact SD-CB 4.31Å; L857-F861 WeakPolarHBondContact O-CB 3.38Å; L857-F861 PolarHBondContact O-N 3.09Å; T858-F861 PolarHBondContact O-N 3.49Å; F861-S864 PolarHBondContact O-N 2.99Å; F861-S864 PolarHBondContact O-OG 3.05Å; F861-L865 HydrophobicContact CE1-CD1 4.24Å; F861-L865 HydrophobicContact CZ-CD1 4.43Å; F861-Y916 HydrophobicContact CE1-CD1 4.24Å; F861-Y916 AromaticContact CE1-CE1 3.82Å; F861-Y916 HydrophobicContact CE1-CE1 3.82Å; F861-Y916 HydrophobicContact CE1-CE2 4.38Å; F861-Y916 AromaticContact CE1-CZ 3.92Å; F861-Y916 HydrophobicContact CZ-CD1 4.5Å; F861-Y916 AromaticContact CZ-CE1 3.72Å; F861-Y916 HydrophobicContact CZ-CE1 3.72Å; F861-Y916 AromaticContact CZ-CZ 3.89Å; F861-L928 HydrophobicContact CD1-CD1 3.77Å; F861-L928 HydrophobicContact CD1-CD2 3.94Å; F861-L928 HydrophobicContact CE1-CD1 4.38Å; F861-L928 HydrophobicContact CE1-CD2 3.88Å
862	A	92.8	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.5	-37.8	175.5	0	0	0	0	0	112.1	T858 N859 S864 L865 Q866 L928 E931 L932 I935	T858-A862 WeakPolarHBondContact O-CB 3.25Å; T858-A862 PolarHBondContact O-N 3.13Å; N859-A862 PolarHBondContact O-N 2.68Å; A862-S864 VanDerWaalsContact C-N 3.28Å; A862-S864 PolarHBondContact O-N 3.31Å; A862-L865 WeakPolarHBondContact O-CB 3.2Å; A862-L865 PolarHBondContact O-N 2.95Å; A862-L865 VanDerWaalsContact O-N 3.11Å; A862-Q866 PolarHBondContact O-N 3.12Å; A862-L928 HydrophobicContact CB-CD1 4.02Å; A862-E931 HydrophobicContact CB-CB 3.81Å; A862-E931 HydrophobicContact CB-CG 3.36Å; A862-L932 HydrophobicContact CB-CD2 4.22Å; A862-L932 HydrophobicContact CB-CG 4.5Å; A862-I935 HydrophobicContact CB-CD1 3.9Å; A862-I935 WeakPolarHBondContact O-CD1 3.48Å
863	A	90.7	Very high	91.6	Very high	52 Å²	52	42.2 Å²	42.2	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-31.2	176.5	0	0	0	0	0	112.9	N859 V860 L865 Q866	N859-A863 VanDerWaalsContact O-CB 3.27Å; N859-A863 WeakPolarHBondContact O-CB 3.33Å; N859-A863 PolarHBondContact O-N 3.26Å; V860-A863 PolarHBondContact O-N 2.91Å; A863-L865 PolarHBondContact O-N 3.42Å; A863-Q866 WeakPolarHBondContact O-CB 3.18Å; A863-Q866 PolarHBondContact O-N 3.46Å
864	S	90.8	Very high	91.2	Very high	50 Å²	50	44.6 Å²	44.6	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-68.3	-24.1	175	78.5	0	0	0	0	113.4	V803 V860 F861 A862	V803-S864 WeakPolarHBondContact CG1-OG 3.34Å; V860-S864 PolarHBondContact O-N 2.98Å; F861-S864 PolarHBondContact O-N 2.99Å; F861-S864 PolarHBondContact O-OG 3.05Å; A862-S864 VanDerWaalsContact C-N 3.28Å; A862-S864 PolarHBondContact O-N 3.31Å
865	L	89.3	Confident	91	Very high	15 Å²	15	50 Å²	50	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-86.3	-11.4	176.4	-59.6	167.9	0	0	0	112.5	F861 A862 A863 S867 N868 I869 Y916 L932	F861-L865 HydrophobicContact CE1-CD1 4.24Å; F861-L865 HydrophobicContact CZ-CD1 4.43Å; A862-L865 WeakPolarHBondContact O-CB 3.2Å; A862-L865 PolarHBondContact O-N 2.95Å; A862-L865 VanDerWaalsContact O-N 3.11Å; A863-L865 PolarHBondContact O-N 3.42Å; L865-S867 VanDerWaalsContact C-N 3.31Å; L865-S867 PolarHBondContact O-N 3.19Å; L865-N868 PolarHBondContact O-N 3.07Å; L865-I869 WeakPolarHBondContact O-CG1 3.06Å; L865-I869 PolarHBondContact O-N 3.42Å; L865-Y916 HydrophobicContact CD1-CE2 3.68Å; L865-Y916 WeakPolarHBondContact CD1-OH 3.29Å; L865-Y916 WeakPolarHBondContact CD2-OH 3.22Å; L865-L932 HydrophobicContact CB-CD2 4.15Å; L865-L932 HydrophobicContact CD1-CD2 3.89Å
866	Q	89	Confident	90.9	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.402	25%	0.248	S	C	.	.	H	α-helix	trans	-59.9	-36.1	-177.2	-177.8	172.9	-40.8	0	0	113	A862 A863 I869 Y870 I935	A862-Q866 PolarHBondContact O-N 3.12Å; A863-Q866 WeakPolarHBondContact O-CB 3.18Å; A863-Q866 PolarHBondContact O-N 3.46Å; Q866-I869 PolarHBondContact O-N 3.29Å; Q866-Y870 VanDerWaalsContact O-CB 3.27Å; Q866-Y870 WeakPolarHBondContact O-CB 3.48Å; Q866-Y870 PolarHBondContact O-N 3.15Å; Q866-I935 HydrophobicContact CB-CD1 4.47Å; Q866-I935 HydrophobicContact CB-CG2 4.06Å; Q866-I935 HydrophobicContact CG-CG2 3.8Å
867	S	86.2	Confident	90.5	Very high	74 Å²	74	41.6 Å²	41.6	52%	0.517	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-43.3	178.6	-161.2	0	0	0	0	111.8	L865 I869 Y870 D871	L865-S867 VanDerWaalsContact C-N 3.31Å; L865-S867 PolarHBondContact O-N 3.19Å; S867-I869 PolarHBondContact O-N 3.04Å; S867-Y870 WeakPolarHBondContact O-CB 3.36Å; S867-Y870 PolarHBondContact O-N 3.17Å; S867-D871 PolarHBondContact O-N 2.98Å
868	N	89.4	Confident	90.1	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	25%	0.25	S	C	.	.	H	α-helix	trans	-66.9	-40.5	179.6	-60.2	-15.4	0	0	0	110.9	L865 Y870 D871 S872 L908	L865-N868 PolarHBondContact O-N 3.07Å; N868-Y870 VanDerWaalsContact C-N 3.35Å; N868-D871 PolarHBondContact O-N 3.35Å; N868-S872 WeakPolarHBondContact O-CB 3.39Å; N868-S872 PolarHBondContact O-N 3.01Å; N868-S872 PolarHBondContact O-OG 2.63Å; N868-L908 VanDerWaalsContact C-CD2 3.42Å; N868-L908 HydrophobicContact CB-CD1 4.05Å; N868-L908 HydrophobicContact CB-CD2 3.77Å; N868-L908 WeakPolarHBondContact O-CD2 3.25Å
869	I	92.2	Very high	89.9	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-41	175.9	-64.7	167.6	0	0	0	110.5	L865 Q866 S867 S872 T873 L905 L908 L932 I935 C939	L865-I869 WeakPolarHBondContact O-CG1 3.06Å; L865-I869 PolarHBondContact O-N 3.42Å; Q866-I869 PolarHBondContact O-N 3.29Å; S867-I869 PolarHBondContact O-N 3.04Å; I869-S872 PolarHBondContact O-N 3.32Å; I869-T873 VanDerWaalsContact O-CB 3.27Å; I869-T873 WeakPolarHBondContact O-CB 3.25Å; I869-T873 PolarHBondContact O-N 2.81Å; I869-T873 PolarHBondContact O-OG1 2.93Å; I869-L905 HydrophobicContact CG2-CD1 4.28Å; I869-L908 HydrophobicContact CG1-CD2 4Å; I869-L932 HydrophobicContact CD1-CD2 3.93Å; I869-I935 HydrophobicContact CB-CG2 4.42Å; I869-I935 HydrophobicContact CD1-CG2 3.95Å; I869-I935 HydrophobicContact CG2-CG2 4.22Å; I869-C939 HydrophobicContact CG2-CB 4.41Å
870	Y	89.7	Confident	89.7	Confident	109 Å²	109	42.5 Å²	42.5	43%	0.427	24%	0.239	S	C	.	.	H	α-helix	trans	-57.3	-54.7	175	-179.5	-77.7	0	0	0	110.7	Q866 S867 N868 S872 T873 V874 L943	Q866-Y870 VanDerWaalsContact O-CB 3.27Å; Q866-Y870 WeakPolarHBondContact O-CB 3.48Å; Q866-Y870 PolarHBondContact O-N 3.15Å; S867-Y870 WeakPolarHBondContact O-CB 3.36Å; S867-Y870 PolarHBondContact O-N 3.17Å; N868-Y870 VanDerWaalsContact C-N 3.35Å; Y870-S872 VanDerWaalsContact C-N 3.34Å; Y870-S872 PolarHBondContact O-N 3.29Å; Y870-T873 PolarHBondContact O-N 3.27Å; Y870-T873 VanDerWaalsContact O-N 3.07Å; Y870-V874 HydrophobicContact CD1-CG2 4.05Å; Y870-V874 HydrophobicContact CE1-CG2 3.72Å; Y870-V874 WeakPolarHBondContact O-CG2 3.4Å; Y870-V874 PolarHBondContact O-N 3.46Å; Y870-L943 HydrophobicContact CD2-CD1 3.47Å; Y870-L943 VanDerWaalsContact CD2-CD1 3.47Å; Y870-L943 HydrophobicContact CD2-CD2 4.2Å; Y870-L943 HydrophobicContact CD2-CG 4.44Å; Y870-L943 HydrophobicContact CE2-CD1 3.63Å; Y870-L943 HydrophobicContact CE2-CD2 3.48Å; Y870-L943 VanDerWaalsContact CE2-CD2 3.48Å; Y870-L943 HydrophobicContact CE2-CG 4.19Å; Y870-L943 HydrophobicContact CG-CD1 3.98Å
871	D	88.3	Confident	89.1	Confident	77 Å²	77	43.1 Å²	43.1	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-60.9	-41	-178.7	-67.1	-22.6	0	0	0	112.4	S867 N868 K875	S867-D871 PolarHBondContact O-N 2.98Å; N868-D871 PolarHBondContact O-N 3.35Å; D871-K875 WeakPolarHBondContact O-CG 3.5Å; D871-K875 PolarHBondContact O-N 3.07Å; D871-K875 VanDerWaalsContact O-N 3.15Å
872	S	91.6	Very high	88.7	Confident	11 Å²	11	51.7 Å²	51.7	8%	0.077	28%	0.275	C	S	.	.	H	α-helix	trans	-66.3	-36.5	174.5	-77.5	0	0	0	0	112.9	N868 I869 Y870 K875 L876 P904	N868-S872 WeakPolarHBondContact O-CB 3.39Å; N868-S872 PolarHBondContact O-N 3.01Å; N868-S872 PolarHBondContact O-OG 2.63Å; I869-S872 PolarHBondContact O-N 3.32Å; Y870-S872 VanDerWaalsContact C-N 3.34Å; Y870-S872 PolarHBondContact O-N 3.29Å; S872-K875 PolarHBondContact O-N 2.96Å; S872-L876 PolarHBondContact O-N 3.23Å; S872-P904 WeakPolarHBondContact CB-O 3.21Å; S872-P904 PolarHBondContact OG-O 3.27Å
873	T	90.5	Very high	88.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71.4	-36.8	177.6	-56.6	0	0	0	0	111.8	I869 Y870 L876 G877 C939 M940 L943 V944	I869-T873 VanDerWaalsContact O-CB 3.27Å; I869-T873 WeakPolarHBondContact O-CB 3.25Å; I869-T873 PolarHBondContact O-N 2.81Å; I869-T873 PolarHBondContact O-OG1 2.93Å; Y870-T873 PolarHBondContact O-N 3.27Å; Y870-T873 VanDerWaalsContact O-N 3.07Å; T873-L876 WeakPolarHBondContact O-CB 3.49Å; T873-L876 PolarHBondContact O-N 3.26Å; T873-G877 PolarHBondContact O-N 3.2Å; T873-C939 HydrophobicContact CG2-CB 4.15Å; T873-M940 HydrophobicContact CG2-CB 4.5Å; T873-M940 HydrophobicContact CG2-CG 4.02Å; T873-L943 HydrophobicContact CG2-CB 4.31Å; T873-L943 HydrophobicContact CG2-CD1 4.2Å; T873-V944 HydrophobicContact CG2-CG2 3.68Å
874	V	86	Confident	87.5	Confident	60 Å²	60	57.5 Å²	57.5	36%	0.364	29%	0.292	S	S	.	.	H	α-helix	trans	-61.2	-45.2	171.8	172.5	0	0	0	0	110.4	Y870 L876 G877 T878 L943	Y870-V874 HydrophobicContact CD1-CG2 4.05Å; Y870-V874 HydrophobicContact CE1-CG2 3.72Å; Y870-V874 WeakPolarHBondContact O-CG2 3.4Å; Y870-V874 PolarHBondContact O-N 3.46Å; V874-L876 PolarHBondContact O-N 3.38Å; V874-G877 WeakPolarHBondContact O-CA 3.37Å; V874-G877 PolarHBondContact O-N 3Å; V874-G877 VanDerWaalsContact O-N 3.09Å; V874-T878 PolarHBondContact O-N 3.29Å; V874-L943 HydrophobicContact CG2-CD1 4.31Å
875	K	88.5	Confident	86.2	Confident	113 Å²	113	57.4 Å²	57.4	49%	0.491	30%	0.298	S	S	.	.	H	α-helix	trans	-57.9	-45.9	175	-69.4	166.6	-170.2	168.3	0	112.1	D871 S872 G877 T878 L879 P904	D871-K875 WeakPolarHBondContact O-CG 3.5Å; D871-K875 PolarHBondContact O-N 3.07Å; D871-K875 VanDerWaalsContact O-N 3.15Å; S872-K875 PolarHBondContact O-N 2.96Å; K875-G877 VanDerWaalsContact C-N 3.28Å; K875-G877 PolarHBondContact O-N 3.25Å; K875-T878 PolarHBondContact O-N 3.3Å; K875-T878 VanDerWaalsContact O-N 3.09Å; K875-T878 PolarHBondContact O-OG1 3.24Å; K875-L879 PolarHBondContact O-N 2.62Å; K875-L879 VanDerWaalsContact O-N 3.12Å; K875-P904 HydrophobicContact CB-CB 3.72Å; K875-P904 HydrophobicContact CB-CG 3.95Å; K875-P904 HydrophobicContact CD-CB 4.16Å
876	L	91.4	Very high	84.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-54.2	-44.4	173.2	178.2	157.6	0	0	0	111.5	S872 T873 V874 T878 L879 L880 I901 L902 L905 M940 V944 L1005	S872-L876 PolarHBondContact O-N 3.23Å; T873-L876 WeakPolarHBondContact O-CB 3.49Å; T873-L876 PolarHBondContact O-N 3.26Å; V874-L876 PolarHBondContact O-N 3.38Å; L876-T878 PolarHBondContact O-N 2.71Å; L876-L879 PolarHBondContact O-N 3.08Å; L876-L880 PolarHBondContact O-N 2.91Å; L876-I901 WeakPolarHBondContact CB-O 3.39Å; L876-I901 HydrophobicContact CD2-CD1 4.45Å; L876-I901 HydrophobicContact CG-CB 4.36Å; L876-I901 WeakPolarHBondContact CG-O 3.41Å; L876-L902 HydrophobicContact CD1-CD2 3.9Å; L876-L905 HydrophobicContact CD1-CB 4.35Å; L876-L905 HydrophobicContact CD1-CD2 4.14Å; L876-M940 HydrophobicContact CD1-CE 4.35Å; L876-V944 HydrophobicContact CD2-CB 4.49Å; L876-V944 HydrophobicContact CD2-CG1 3.88Å; L876-V944 HydrophobicContact CD2-CG2 4.01Å; L876-L1005 HydrophobicContact CD2-CD2 4.33Å
877	G	86.3	Confident	82.9	Confident	14 Å²	14	61.7 Å²	61.7	14%	0.144	35%	0.348	C	S	.	.	H	α-helix	trans	-58	-45.6	173.9	0	0	0	0	0	113.3	T873 V874 K875 L879 L880 V881	T873-G877 PolarHBondContact O-N 3.2Å; V874-G877 WeakPolarHBondContact O-CA 3.37Å; V874-G877 PolarHBondContact O-N 3Å; V874-G877 VanDerWaalsContact O-N 3.09Å; K875-G877 VanDerWaalsContact C-N 3.28Å; K875-G877 PolarHBondContact O-N 3.25Å; G877-L879 VanDerWaalsContact C-N 3.26Å; G877-L879 PolarHBondContact O-N 3.4Å; G877-L880 WeakPolarHBondContact O-CB 3.49Å; G877-L880 PolarHBondContact O-N 2.69Å; G877-V881 PolarHBondContact O-N 2.75Å
878	T	85.7	Confident	81.5	Confident	63 Å²	63	67.8 Å²	67.8	39%	0.387	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-29.5	177.4	70.8	0	0	0	0	113.5	V874 K875 L876	V874-T878 PolarHBondContact O-N 3.29Å; K875-T878 PolarHBondContact O-N 3.3Å; K875-T878 VanDerWaalsContact O-N 3.09Å; K875-T878 PolarHBondContact O-OG1 3.24Å; L876-T878 PolarHBondContact O-N 2.71Å
879	L	88.8	Confident	80.1	Confident	28 Å²	28	67 Å²	67	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-75.9	-40.2	175	-65	176.5	0	0	0	111.2	K875 L876 G877 V881 R882 L900 I901 P904	K875-L879 PolarHBondContact O-N 2.62Å; K875-L879 VanDerWaalsContact O-N 3.12Å; L876-L879 PolarHBondContact O-N 3.08Å; G877-L879 VanDerWaalsContact C-N 3.26Å; G877-L879 PolarHBondContact O-N 3.4Å; L879-V881 VanDerWaalsContact C-N 3.28Å; L879-V881 PolarHBondContact O-N 3.04Å; L879-R882 VanDerWaalsContact O-CB 3.3Å; L879-R882 WeakPolarHBondContact O-CB 3.46Å; L879-R882 PolarHBondContact O-N 3.46Å; L879-L900 WeakPolarHBondContact CD1-O 3.39Å; L879-I901 HydrophobicContact CB-CB 4.27Å; L879-I901 HydrophobicContact CB-CG2 3.94Å; L879-P904 HydrophobicContact CD1-CG 3.66Å
880	L	88.2	Confident	79	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.016	40%	0.395	C	S	.	.	H	α-helix	trans	-57.5	-38.4	175.8	-176	72.4	0	0	0	112.5	L876 G877 R882 V883 I901 V944 L997 Q1001 L1005	L876-L880 PolarHBondContact O-N 2.91Å; G877-L880 WeakPolarHBondContact O-CB 3.49Å; G877-L880 PolarHBondContact O-N 2.69Å; L880-R882 PolarHBondContact O-N 3.23Å; L880-R882 VanDerWaalsContact O-N 3.14Å; L880-V883 WeakPolarHBondContact O-CB 3.37Å; L880-V883 PolarHBondContact O-N 3.41Å; L880-I901 HydrophobicContact CB-CG2 4.44Å; L880-I901 HydrophobicContact CD1-CD1 3.91Å; L880-V944 HydrophobicContact CD2-CG1 3.67Å; L880-L997 HydrophobicContact CD2-CD2 3.72Å; L880-Q1001 HydrophobicContact CD1-CB 3.92Å; L880-Q1001 HydrophobicContact CD1-CG 3.96Å; L880-Q1001 HydrophobicContact CG-CB 4.22Å; L880-Q1001 HydrophobicContact CG-CG 4.09Å; L880-Q1001 PolarHBondContact O-NE2 2.9Å; L880-L1005 HydrophobicContact CD1-CD2 4.29Å; L880-L1005 HydrophobicContact CD1-CG 3.97Å; L880-L1005 HydrophobicContact CD2-CD1 3.63Å; L880-L1005 HydrophobicContact CD2-CD2 4Å; L880-L1005 HydrophobicContact CD2-CG 3.82Å
881	V	82.3	Confident	78.2	Confident	68 Å²	68	77 Å²	77	41%	0.412	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.1	177	175.4	0	0	0	0	112.7	G877 L879	G877-V881 PolarHBondContact O-N 2.75Å; L879-V881 VanDerWaalsContact C-N 3.28Å; L879-V881 PolarHBondContact O-N 3.04Å
882	R	84.8	Confident	77.7	Confident	180 Å²	180	77.2 Å²	77.2	68%	0.679	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.5	176.3	-55.4	176.9	-176.1	-179.7	-0.5	112.9	L879 L880 K884	L879-R882 VanDerWaalsContact O-CB 3.3Å; L879-R882 WeakPolarHBondContact O-CB 3.46Å; L879-R882 PolarHBondContact O-N 3.46Å; L880-R882 PolarHBondContact O-N 3.23Å; L880-R882 VanDerWaalsContact O-N 3.14Å; R882-K884 PolarHBondContact O-N 3.41Å; R882-K884 VanDerWaalsContact O-N 3.17Å
883	V	83.9	Confident	77.3	Confident	14 Å²	14	80.8 Å²	80.8	9%	0.085	44%	0.436	C	S	.	.			trans	-68.4	109.9	176.9	179.1	0	0	0	0	109.7	L880 E897 I901 K1000 Q1001 V1004	L880-V883 WeakPolarHBondContact O-CB 3.37Å; L880-V883 PolarHBondContact O-N 3.41Å; V883-E897 WeakPolarHBondContact CG1-OE2 3.03Å; V883-I901 HydrophobicContact CG2-CG2 4.25Å; V883-K1000 HydrophobicContact CG1-CD 4.12Å; V883-K1000 HydrophobicContact CG1-CG 4.21Å; V883-Q1001 HydrophobicContact CB-CG 4.05Å; V883-Q1001 HydrophobicContact CG1-CG 4.25Å; V883-V1004 HydrophobicContact CG1-CG2 4.3Å
884	K	74.1	Confident	77	Confident	160 Å²	160	81.4 Å²	81.4	70%	0.696	44%	0.44	S	S	*	.			trans	-119.6	153.3	176	-63.6	179.6	-175.7	177.2	0	110.4	R882 K1000	R882-K884 PolarHBondContact O-N 3.41Å; R882-K884 VanDerWaalsContact O-N 3.17Å; K884-K1000 PolarHBondContact O-NZ 2.93Å
885	G	64	Low	77	Confident	47 Å²	47	82 Å²	82	49%	0.485	44%	0.444	S	S	.	.			trans	157.7	128.5	173	0	0	0	0	0	112.9
886	S	52.8	Low	77	Confident	136 Å²	136	79.6 Å²	79.6	95%	0.951	45%	0.445	S	S	*	.			trans	-120.7	32.6	-175.5	52.3	0	0	0	0	112.6
887	G	56.5	Low	76.9	Confident	55 Å²	55	81.4 Å²	81.4	57%	0.567	45%	0.454	S	S	*	.	S	Bend	trans	-135.1	177	-177.4	0	0	0	0	0	112.9	V889	G887-V889 WeakPolarHBondContact O-CG2 3.5Å; G887-V889 PolarHBondContact O-N 2.89Å
888	Q	56.1	Low	77.2	Confident	202 Å²	202	80.8 Å²	80.8	94%	0.944	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.5	121.8	177.8	-72.8	-173.8	-17.4	0	0	111.1
889	V	61	Low	77.4	Confident	62 Å²	62	81.6 Å²	81.6	38%	0.376	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-92.2	121	-170.7	-166.8	0	0	0	0	110.4	G887 V894 K1000	G887-V889 WeakPolarHBondContact O-CG2 3.5Å; G887-V889 PolarHBondContact O-N 2.89Å; V889-V894 HydrophobicContact CG1-CG2 3.39Å; V889-K1000 HydrophobicContact CG2-CG 4.36Å
890	Q	68.8	Low	77.6	Confident	137 Å²	137	84.9 Å²	84.9	64%	0.64	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-78.5	138	172.8	-62.6	-173	19.7	0	0	110.7	S892 Q893 V894	Q890-S892 VanDerWaalsContact C-N 3.29Å; Q890-S892 PolarHBondContact O-N 3.15Å; Q890-Q893 WeakPolarHBondContact O-CB 3.38Å; Q890-Q893 PolarHBondContact O-N 3.4Å; Q890-V894 PolarHBondContact O-N 3.33Å
891	K	73.5	Confident	77.8	Confident	188 Å²	188	84.8 Å²	84.8	82%	0.817	47%	0.466	S	S	*	.	H	α-helix	trans	-54.5	-40.7	-178.9	-77.7	-172.3	174	-176.2	0	113.6	Q893 V894 T895	K891-Q893 VanDerWaalsContact C-N 3.3Å; K891-Q893 PolarHBondContact O-N 3.46Å; K891-V894 WeakPolarHBondContact O-CB 3.24Å; K891-V894 PolarHBondContact O-N 2.8Å; K891-V894 VanDerWaalsContact O-N 3.16Å; K891-T895 PolarHBondContact O-N 3.44Å; K891-T895 VanDerWaalsContact O-N 3.13Å; K891-T895 PolarHBondContact O-OG1 3.27Å
892	S	76	Confident	78.3	Confident	81 Å²	81	81.6 Å²	81.6	57%	0.566	45%	0.447	S	S	*	.	H	α-helix	trans	-59.2	-38.3	177.8	45.6	0	0	0	0	113	Q890 A896	Q890-S892 VanDerWaalsContact C-N 3.29Å; Q890-S892 PolarHBondContact O-N 3.15Å; S892-A896 PolarHBondContact O-N 2.69Å
893	Q	83.1	Confident	78.7	Confident	85 Å²	85	78.5 Å²	78.5	40%	0.397	44%	0.44	S	S	.	.	H	α-helix	trans	-68.4	-39	176.1	-178.1	173.9	3.6	0	0	111.6	Q890 K891 A896 E897 K1000	Q890-Q893 WeakPolarHBondContact O-CB 3.38Å; Q890-Q893 PolarHBondContact O-N 3.4Å; K891-Q893 VanDerWaalsContact C-N 3.3Å; K891-Q893 PolarHBondContact O-N 3.46Å; Q893-A896 PolarHBondContact O-N 3.12Å; Q893-E897 HydrophobicContact CG-CG 4.35Å; Q893-E897 WeakPolarHBondContact CG-OE1 3.47Å; Q893-E897 PolarHBondContact NE2-OE1 2.86Å; Q893-E897 WeakPolarHBondContact O-CB 3.46Å; Q893-E897 WeakPolarHBondContact O-CG 3.47Å; Q893-E897 PolarHBondContact O-N 2.96Å; Q893-K1000 VanDerWaalsContact NE2-NZ 3.19Å
894	V	85.3	Confident	79.1	Confident	13 Å²	13	79.1 Å²	79.1	8%	0.079	44%	0.444	C	S	.	.	H	α-helix	trans	-60.4	-46.5	176.3	-175.8	0	0	0	0	110.9	V889 Q890 K891 E897 A898 T1003 V1004 A1007	V889-V894 HydrophobicContact CG1-CG2 3.39Å; Q890-V894 PolarHBondContact O-N 3.33Å; K891-V894 WeakPolarHBondContact O-CB 3.24Å; K891-V894 PolarHBondContact O-N 2.8Å; K891-V894 VanDerWaalsContact O-N 3.16Å; V894-E897 PolarHBondContact O-N 3.4Å; V894-A898 VanDerWaalsContact O-CB 3.28Å; V894-A898 WeakPolarHBondContact O-CB 3.33Å; V894-A898 PolarHBondContact O-N 3.4Å; V894-T1003 HydrophobicContact CG1-CG2 4.04Å; V894-T1003 HydrophobicContact CG2-CG2 4.16Å; V894-V1004 HydrophobicContact CG1-CG2 4.08Å; V894-A1007 HydrophobicContact CG1-CB 3.87Å
895	T	85.6	Confident	80	Confident	74 Å²	74	71.5 Å²	71.5	45%	0.454	41%	0.411	S	S	.	.	H	α-helix	trans	-62.9	-47.5	-179.8	-51.7	0	0	0	0	111.4	K891 E897 A898 D899	K891-T895 PolarHBondContact O-N 3.44Å; K891-T895 VanDerWaalsContact O-N 3.13Å; K891-T895 PolarHBondContact O-OG1 3.27Å; T895-E897 VanDerWaalsContact C-N 3.33Å; T895-E897 PolarHBondContact O-N 3.47Å; T895-A898 WeakPolarHBondContact O-CB 3.22Å; T895-A898 PolarHBondContact O-N 3.02Å; T895-A898 VanDerWaalsContact O-N 3.11Å; T895-D899 PolarHBondContact O-N 2.91Å
896	A	88.7	Confident	81.3	Confident	62 Å²	62	70 Å²	70	51%	0.512	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-36.6	178.3	0	0	0	0	0	113.1	S892 Q893 L900	S892-A896 PolarHBondContact O-N 2.69Å; Q893-A896 PolarHBondContact O-N 3.12Å; A896-L900 WeakPolarHBondContact O-CB 3.34Å; A896-L900 PolarHBondContact O-N 3.01Å
897	E	90	Very high	83.1	Confident	37 Å²	37	68.5 Å²	68.5	17%	0.173	37%	0.373	C	S	.	.	H	α-helix	trans	-72.1	-32	174	-71.3	174.8	-177.9	0	0	112.1	V883 Q893 V894 T895 I901 K1000 V1004	V883-E897 WeakPolarHBondContact CG1-OE2 3.03Å; Q893-E897 HydrophobicContact CG-CG 4.35Å; Q893-E897 WeakPolarHBondContact CG-OE1 3.47Å; Q893-E897 PolarHBondContact NE2-OE1 2.86Å; Q893-E897 WeakPolarHBondContact O-CB 3.46Å; Q893-E897 WeakPolarHBondContact O-CG 3.47Å; Q893-E897 PolarHBondContact O-N 2.96Å; V894-E897 PolarHBondContact O-N 3.4Å; T895-E897 VanDerWaalsContact C-N 3.33Å; T895-E897 PolarHBondContact O-N 3.47Å; E897-I901 WeakPolarHBondContact O-CG2 3.27Å; E897-I901 PolarHBondContact O-N 2.87Å; E897-I901 VanDerWaalsContact O-N 3.15Å; E897-K1000 VanDerWaalsContact CD-NZ 3.26Å; E897-K1000 IonicContact OE1-NZ 2.86Å; E897-K1000 PolarHBondContact OE1-NZ 2.86Å; E897-K1000 WeakPolarHBondContact OE2-CE 3.5Å; E897-K1000 IonicContact OE2-NZ 3.3Å; E897-K1000 PolarHBondContact OE2-NZ 3.18Å; E897-V1004 HydrophobicContact CB-CG1 4.07Å; E897-V1004 HydrophobicContact CB-CG2 4.04Å
898	A	91.7	Very high	84.7	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.008	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-44.7	176	0	0	0	0	0	111.7	V894 T895 L900 I901 L902 V1004 A1007 A1008	V894-A898 VanDerWaalsContact O-CB 3.28Å; V894-A898 WeakPolarHBondContact O-CB 3.33Å; V894-A898 PolarHBondContact O-N 3.4Å; T895-A898 WeakPolarHBondContact O-CB 3.22Å; T895-A898 PolarHBondContact O-N 3.02Å; T895-A898 VanDerWaalsContact O-N 3.11Å; A898-L900 VanDerWaalsContact C-N 3.32Å; A898-L900 PolarHBondContact O-N 3.24Å; A898-I901 VanDerWaalsContact O-CG1 3.22Å; A898-I901 WeakPolarHBondContact O-CG1 3.49Å; A898-I901 PolarHBondContact O-N 3.23Å; A898-L902 VanDerWaalsContact O-CB 3.29Å; A898-L902 WeakPolarHBondContact O-CB 3.48Å; A898-L902 VanDerWaalsContact O-CG 3.22Å; A898-L902 WeakPolarHBondContact O-CG 3.25Å; A898-L902 PolarHBondContact O-N 2.94Å; A898-L902 VanDerWaalsContact O-N 3.12Å; A898-V1004 HydrophobicContact CB-CG1 4.11Å; A898-A1007 HydrophobicContact CB-CB 3.99Å; A898-A1008 HydrophobicContact CB-CB 4.21Å
899	D	91	Very high	86.3	Confident	81 Å²	81	58.3 Å²	58.3	43%	0.433	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176.3	-65.2	-29.3	0	0	0	111	T895 L902 E903	T895-D899 PolarHBondContact O-N 2.91Å; D899-L902 PolarHBondContact O-N 3.25Å; D899-E903 PolarHBondContact O-N 3.37Å
900	L	92.5	Very high	87.6	Confident	97 Å²	97	59.1 Å²	59.1	51%	0.508	31%	0.314	S	S	.	.	H	α-helix	trans	-65.3	-41	178.2	-176.4	149.7	0	0	0	113.4	L879 A896 A898 L902	L879-L900 WeakPolarHBondContact CD1-O 3.39Å; A896-L900 WeakPolarHBondContact O-CB 3.34Å; A896-L900 PolarHBondContact O-N 3.01Å; A898-L900 VanDerWaalsContact C-N 3.32Å; A898-L900 PolarHBondContact O-N 3.24Å; L900-L902 VanDerWaalsContact C-N 3.27Å; L900-L902 PolarHBondContact O-N 3.44Å
901	I	92.3	Very high	88.6	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-71.3	-27.6	176	65.4	167.7	0	0	0	111.9	L876 L879 L880 V883 E897 A898 P904 V1004 L1005 A1008	L876-I901 WeakPolarHBondContact CB-O 3.39Å; L876-I901 HydrophobicContact CD2-CD1 4.45Å; L876-I901 HydrophobicContact CG-CB 4.36Å; L876-I901 WeakPolarHBondContact CG-O 3.41Å; L879-I901 HydrophobicContact CB-CB 4.27Å; L879-I901 HydrophobicContact CB-CG2 3.94Å; L880-I901 HydrophobicContact CB-CG2 4.44Å; L880-I901 HydrophobicContact CD1-CD1 3.91Å; V883-I901 HydrophobicContact CG2-CG2 4.25Å; E897-I901 WeakPolarHBondContact O-CG2 3.27Å; E897-I901 PolarHBondContact O-N 2.87Å; E897-I901 VanDerWaalsContact O-N 3.15Å; A898-I901 VanDerWaalsContact O-CG1 3.22Å; A898-I901 WeakPolarHBondContact O-CG1 3.49Å; A898-I901 PolarHBondContact O-N 3.23Å; I901-P904 WeakPolarHBondContact O-CD 3.39Å; I901-V1004 HydrophobicContact CD1-CG1 3.8Å; I901-V1004 HydrophobicContact CG1-CG1 4.34Å; I901-L1005 HydrophobicContact CD1-CD2 4.05Å; I901-A1008 HydrophobicContact CD1-CB 4.23Å
902	L	93.5	Very high	89.3	Confident	2 Å²	2	48.7 Å²	48.7	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-75.9	-29.1	-176.4	-85.6	176.9	0	0	0	114.2	L876 A898 D899 L900 P904 L905 M906 A1008 T1011 I1012	L876-L902 HydrophobicContact CD1-CD2 3.9Å; A898-L902 VanDerWaalsContact O-CB 3.29Å; A898-L902 WeakPolarHBondContact O-CB 3.48Å; A898-L902 VanDerWaalsContact O-CG 3.22Å; A898-L902 WeakPolarHBondContact O-CG 3.25Å; A898-L902 PolarHBondContact O-N 2.94Å; A898-L902 VanDerWaalsContact O-N 3.12Å; D899-L902 PolarHBondContact O-N 3.25Å; L900-L902 VanDerWaalsContact C-N 3.27Å; L900-L902 PolarHBondContact O-N 3.44Å; L902-P904 WeakPolarHBondContact O-CD 3.35Å; L902-P904 VanDerWaalsContact O-N 3.1Å; L902-L905 PolarHBondContact O-N 2.92Å; L902-M906 HydrophobicContact CB-CG 3.78Å; L902-M906 HydrophobicContact CD2-CG 4.34Å; L902-M906 HydrophobicContact CD2-SD 4.27Å; L902-M906 HydrophobicContact CG-CG 4.48Å; L902-M906 WeakPolarHBondContact O-CG 3.39Å; L902-M906 PolarHBondContact O-N 3.43Å; L902-A1008 HydrophobicContact CD1-CB 3.85Å; L902-A1008 HydrophobicContact CD2-CB 4.06Å; L902-A1008 HydrophobicContact CG-CB 3.82Å; L902-T1011 HydrophobicContact CD1-CG2 3.72Å; L902-I1012 HydrophobicContact CD2-CD1 3.59Å; L902-I1012 HydrophobicContact CD2-CG1 3.61Å
903	E	92.7	Very high	90	Very high	114 Å²	114	45.9 Å²	45.9	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-36.6	-53	-176.7	-175.3	-178.1	179.9	0	0	114.1	D899 L905 M906 D907	D899-E903 PolarHBondContact O-N 3.37Å; E903-L905 VanDerWaalsContact C-N 3.28Å; E903-L905 PolarHBondContact O-N 3.25Å; E903-M906 PolarHBondContact O-N 3.2Å; E903-D907 PolarHBondContact O-N 2.95Å
904	P	92.4	Very high	90.3	Very high	27 Å²	27	44.9 Å²	44.9	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-25.5	-176.1	-18.2	32.8	0	0	0	114.9	S872 K875 L879 I901 L902	S872-P904 WeakPolarHBondContact CB-O 3.21Å; S872-P904 PolarHBondContact OG-O 3.27Å; K875-P904 HydrophobicContact CB-CB 3.72Å; K875-P904 HydrophobicContact CB-CG 3.95Å; K875-P904 HydrophobicContact CD-CB 4.16Å; L879-P904 HydrophobicContact CD1-CG 3.66Å; I901-P904 WeakPolarHBondContact O-CD 3.39Å; L902-P904 WeakPolarHBondContact O-CD 3.35Å; L902-P904 VanDerWaalsContact O-N 3.1Å
905	L	92.8	Very high	90.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-89.4	-37	177.8	179.9	61.8	0	0	0	110.9	I869 L876 L902 E903 L908 L909 T936 M940 I1012	I869-L905 HydrophobicContact CG2-CD1 4.28Å; L876-L905 HydrophobicContact CD1-CB 4.35Å; L876-L905 HydrophobicContact CD1-CD2 4.14Å; L902-L905 PolarHBondContact O-N 2.92Å; E903-L905 VanDerWaalsContact C-N 3.28Å; E903-L905 PolarHBondContact O-N 3.25Å; L905-L908 PolarHBondContact O-N 3Å; L905-L909 HydrophobicContact CD1-CD1 4.05Å; L905-L909 HydrophobicContact CD1-CG 4.2Å; L905-L909 HydrophobicContact CD2-CD1 4.49Å; L905-L909 HydrophobicContact CG-CD1 3.87Å; L905-L909 HydrophobicContact CG-CG 4.39Å; L905-L909 WeakPolarHBondContact O-CB 3.49Å; L905-L909 VanDerWaalsContact O-CG 3.3Å; L905-L909 WeakPolarHBondContact O-CG 3.23Å; L905-L909 PolarHBondContact O-N 3.09Å; L905-T936 HydrophobicContact CD1-CG2 4.37Å; L905-T936 HydrophobicContact CD2-CG2 3.97Å; L905-M940 HydrophobicContact CD2-SD 4.37Å; L905-I1012 HydrophobicContact CD2-CD1 3.9Å
906	M	91.2	Very high	90.9	Very high	15 Å²	15	43 Å²	43	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-36.3	-178.3	-61.4	-48.7	-51.2	0	0	112.7	L902 E903 L908 L909 D910 I1012 Y1015	L902-M906 HydrophobicContact CB-CG 3.78Å; L902-M906 HydrophobicContact CD2-CG 4.34Å; L902-M906 HydrophobicContact CD2-SD 4.27Å; L902-M906 HydrophobicContact CG-CG 4.48Å; L902-M906 WeakPolarHBondContact O-CG 3.39Å; L902-M906 PolarHBondContact O-N 3.43Å; E903-M906 PolarHBondContact O-N 3.2Å; M906-L908 VanDerWaalsContact C-N 3.31Å; M906-L908 PolarHBondContact O-N 3.05Å; M906-L909 PolarHBondContact O-N 3.49Å; M906-L909 HydrophobicContact SD-CD1 4.28Å; M906-D910 WeakPolarHBondContact O-CB 3.44Å; M906-D910 PolarHBondContact O-N 3.39Å; M906-I1012 HydrophobicContact SD-CG1 4.09Å; M906-Y1015 HydrophobicContact CE-CD1 3.31Å; M906-Y1015 HydrophobicContact CE-CD2 3.38Å; M906-Y1015 HydrophobicContact CE-CE1 3.53Å; M906-Y1015 HydrophobicContact CE-CE2 3.6Å; M906-Y1015 HydrophobicContact CE-CG 3.21Å
907	D	89.9	Confident	90.9	Very high	105 Å²	105	42.8 Å²	42.8	56%	0.561	24%	0.236	S	C	*	.	H	α-helix	trans	-58.3	-42.9	172.7	-75.8	-8.1	0	0	0	112.1	E903 V911	E903-D907 PolarHBondContact O-N 2.95Å; D907-V911 WeakPolarHBondContact O-CG2 3.45Å
908	L	90.4	Very high	90.9	Very high	39 Å²	39	48.6 Å²	48.6	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-67.1	-46.6	176.8	176.1	66.3	0	0	0	111.2	N868 I869 L905 M906 S912	N868-L908 VanDerWaalsContact C-CD2 3.42Å; N868-L908 HydrophobicContact CB-CD1 4.05Å; N868-L908 HydrophobicContact CB-CD2 3.77Å; N868-L908 WeakPolarHBondContact O-CD2 3.25Å; I869-L908 HydrophobicContact CG1-CD2 4Å; L905-L908 PolarHBondContact O-N 3Å; M906-L908 VanDerWaalsContact C-N 3.31Å; M906-L908 PolarHBondContact O-N 3.05Å; L908-S912 WeakPolarHBondContact O-CB 3.38Å; L908-S912 PolarHBondContact O-N 3.22Å; L908-S912 VanDerWaalsContact O-N 3.12Å; L908-S912 PolarHBondContact O-OG 3.11Å
909	L	89.8	Confident	90.8	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-69.4	-42.9	-176.4	-72.4	177.2	0	0	0	112	L905 M906 V911 S912 L913 T936 F1016	L905-L909 HydrophobicContact CD1-CD1 4.05Å; L905-L909 HydrophobicContact CD1-CG 4.2Å; L905-L909 HydrophobicContact CD2-CD1 4.49Å; L905-L909 HydrophobicContact CG-CD1 3.87Å; L905-L909 HydrophobicContact CG-CG 4.39Å; L905-L909 WeakPolarHBondContact O-CB 3.49Å; L905-L909 VanDerWaalsContact O-CG 3.3Å; L905-L909 WeakPolarHBondContact O-CG 3.23Å; L905-L909 PolarHBondContact O-N 3.09Å; M906-L909 PolarHBondContact O-N 3.49Å; M906-L909 HydrophobicContact SD-CD1 4.28Å; L909-V911 PolarHBondContact O-N 2.92Å; L909-S912 PolarHBondContact O-N 2.98Å; L909-L913 HydrophobicContact CB-CD1 4.46Å; L909-L913 WeakPolarHBondContact O-CB 3.43Å; L909-L913 WeakPolarHBondContact O-CG 3.3Å; L909-L913 PolarHBondContact O-N 3.12Å; L909-T936 HydrophobicContact CD1-CG2 4.37Å; L909-F1016 HydrophobicContact CD1-CE2 3.94Å; L909-F1016 HydrophobicContact CD2-CE2 4.37Å; L909-F1016 HydrophobicContact CD2-CZ 4.17Å
910	D	87.7	Confident	90.8	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	26%	0.264	S	S	.	.	H	α-helix	trans	-61.4	-49.2	-178.1	-173.2	57.3	0	0	0	111.8	M906 S912 T914	M906-D910 WeakPolarHBondContact O-CB 3.44Å; M906-D910 PolarHBondContact O-N 3.39Å; D910-S912 PolarHBondContact O-N 3.38Å; D910-T914 WeakPolarHBondContact O-CB 3.48Å; D910-T914 PolarHBondContact O-N 3.43Å; D910-T914 PolarHBondContact O-OG1 3.26Å
911	V	89.6	Confident	90.7	Very high	93 Å²	93	48.2 Å²	48.2	56%	0.564	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-42.7	176.3	175.9	0	0	0	0	111.4	D907 L909 K915	D907-V911 WeakPolarHBondContact O-CG2 3.45Å; L909-V911 PolarHBondContact O-N 2.92Å; V911-K915 WeakPolarHBondContact O-CB 3.34Å; V911-K915 PolarHBondContact O-N 3Å
912	S	89.5	Confident	90.6	Very high	14 Å²	14	55.2 Å²	55.2	10%	0.098	28%	0.284	C	S	.	.	H	α-helix	trans	-73.5	-49.7	-176.3	-57.6	0	0	0	0	112.1	L908 L909 D910 K915 Y916	L908-S912 WeakPolarHBondContact O-CB 3.38Å; L908-S912 PolarHBondContact O-N 3.22Å; L908-S912 VanDerWaalsContact O-N 3.12Å; L908-S912 PolarHBondContact O-OG 3.11Å; L909-S912 PolarHBondContact O-N 2.98Å; D910-S912 PolarHBondContact O-N 3.38Å; S912-K915 WeakPolarHBondContact O-CB 3.41Å; S912-K915 PolarHBondContact O-N 3.21Å; S912-Y916 WeakPolarHBondContact O-CD2 3.22Å; S912-Y916 VanDerWaalsContact O-CG 3.26Å; S912-Y916 PolarHBondContact O-N 3.44Å
913	L	89.7	Confident	90.5	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.11	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-40.1	-177.5	-63	-170.3	0	0	0	111.5	L909 Y916 A917 L929 L932 F1016	L909-L913 HydrophobicContact CB-CD1 4.46Å; L909-L913 WeakPolarHBondContact O-CB 3.43Å; L909-L913 WeakPolarHBondContact O-CG 3.3Å; L909-L913 PolarHBondContact O-N 3.12Å; L913-Y916 PolarHBondContact O-N 3.47Å; L913-A917 VanDerWaalsContact O-CB 3.29Å; L913-A917 WeakPolarHBondContact O-CB 3.24Å; L913-A917 PolarHBondContact O-N 2.86Å; L913-L929 HydrophobicContact CD1-CD2 4.19Å; L913-L929 HydrophobicContact CD2-CD2 3.53Å; L913-L929 HydrophobicContact CG-CD2 4.36Å; L913-L932 HydrophobicContact CD2-CD1 3.79Å; L913-F1016 HydrophobicContact CD1-CD1 4.5Å; L913-F1016 HydrophobicContact CD1-CE1 4.36Å; L913-F1016 HydrophobicContact CD1-CZ 4.39Å
914	T	89.9	Confident	90.6	Very high	65 Å²	65	52 Å²	52	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-43.2	174.5	-63.2	0	0	0	0	111.4	D910 Y916 A917 Q918	D910-T914 WeakPolarHBondContact O-CB 3.48Å; D910-T914 PolarHBondContact O-N 3.43Å; D910-T914 PolarHBondContact O-OG1 3.26Å; T914-Y916 PolarHBondContact O-N 3.46Å; T914-A917 PolarHBondContact O-N 3.06Å; T914-Q918 WeakPolarHBondContact O-CG 3.48Å; T914-Q918 PolarHBondContact O-N 2.67Å
915	K	90.6	Very high	90.7	Very high	47 Å²	47	51.7 Å²	51.7	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-43.7	175.5	-176.5	-158.6	-54.2	170.3	0	112	E806 V911 S912 R919	E806-K915 IonicContact OE1-NZ 3.96Å; E806-K915 PolarHBondContact OE1-NZ 3.36Å; E806-K915 WeakPolarHBondContact OE2-CD 3.46Å; E806-K915 WeakPolarHBondContact OE2-CE 3.44Å; E806-K915 IonicContact OE2-NZ 2.75Å; E806-K915 PolarHBondContact OE2-NZ 2.95Å; V911-K915 WeakPolarHBondContact O-CB 3.34Å; V911-K915 PolarHBondContact O-N 3Å; S912-K915 WeakPolarHBondContact O-CB 3.41Å; S912-K915 PolarHBondContact O-N 3.21Å; K915-R919 WeakPolarHBondContact O-CG 3.41Å; K915-R919 PolarHBondContact O-N 3.48Å
916	Y	91.9	Very high	90.7	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-74.5	-32.9	178.7	-56	-38.2	0	0	0	112.5	E806 F861 L865 S912 L913 T914 Q918 R919 C920 L928 L932	E806-Y916 HydrophobicContact CB-CE1 4.44Å; E806-Y916 PolarHBondContact OE1-OH 3.46Å; F861-Y916 HydrophobicContact CE1-CD1 4.24Å; F861-Y916 AromaticContact CE1-CE1 3.82Å; F861-Y916 HydrophobicContact CE1-CE1 3.82Å; F861-Y916 HydrophobicContact CE1-CE2 4.38Å; F861-Y916 AromaticContact CE1-CZ 3.92Å; F861-Y916 HydrophobicContact CZ-CD1 4.5Å; F861-Y916 AromaticContact CZ-CE1 3.72Å; F861-Y916 HydrophobicContact CZ-CE1 3.72Å; F861-Y916 AromaticContact CZ-CZ 3.89Å; L865-Y916 HydrophobicContact CD1-CE2 3.68Å; L865-Y916 WeakPolarHBondContact CD1-OH 3.29Å; L865-Y916 WeakPolarHBondContact CD2-OH 3.22Å; S912-Y916 WeakPolarHBondContact O-CD2 3.22Å; S912-Y916 VanDerWaalsContact O-CG 3.26Å; S912-Y916 PolarHBondContact O-N 3.44Å; L913-Y916 PolarHBondContact O-N 3.47Å; T914-Y916 PolarHBondContact O-N 3.46Å; Y916-Q918 PolarHBondContact O-N 2.93Å; Y916-R919 PolarHBondContact O-N 3.17Å; Y916-R919 VanDerWaalsContact O-N 3.13Å; Y916-C920 VanDerWaalsContact O-CB 3.32Å; Y916-C920 WeakPolarHBondContact O-CB 3.45Å; Y916-C920 PolarHBondContact O-N 2.9Å; Y916-L928 HydrophobicContact CD1-CD2 4.48Å; Y916-L928 HydrophobicContact CD2-CD2 3.78Å; Y916-L928 HydrophobicContact CE2-CD2 4.42Å; Y916-L928 HydrophobicContact CG-CD2 3.85Å; Y916-L932 HydrophobicContact CD2-CD1 4.37Å; Y916-L932 HydrophobicContact CE2-CD1 4.45Å
917	A	90.5	Very high	90.8	Very high	56 Å²	56	56.2 Å²	56.2	46%	0.463	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-29.3	174.3	0	0	0	0	0	113.2	L913 T914 L925	L913-A917 VanDerWaalsContact O-CB 3.29Å; L913-A917 WeakPolarHBondContact O-CB 3.24Å; L913-A917 PolarHBondContact O-N 2.86Å; T914-A917 PolarHBondContact O-N 3.06Å; A917-L925 HydrophobicContact CB-CD1 4.38Å; A917-L925 HydrophobicContact CB-CD2 4.12Å
918	Q	90.1	Very high	91	Very high	160 Å²	160	51.3 Å²	51.3	75%	0.748	26%	0.262	S	S	*	.	H	α-helix	trans	-83.2	-23.8	174.6	-67.3	176.1	1.2	0	0	114.1	T914 Y916	T914-Q918 WeakPolarHBondContact O-CG 3.48Å; T914-Q918 PolarHBondContact O-N 2.67Å; Y916-Q918 PolarHBondContact O-N 2.93Å
919	R	88.9	Confident	91.2	Very high	97 Å²	97	50 Å²	50	37%	0.366	26%	0.255	S	S	.	.	H	α-helix	trans	-106	-29	-171.3	-68.9	179.5	-177.2	-178.6	3.2	114.6	C810 N814 K915 Y916	C810-R919 HydrophobicContact CB-CB 4.08Å; N814-R919 PolarHBondContact ND2-O 3.16Å; K915-R919 WeakPolarHBondContact O-CG 3.41Å; K915-R919 PolarHBondContact O-N 3.48Å; Y916-R919 PolarHBondContact O-N 3.17Å; Y916-R919 VanDerWaalsContact O-N 3.13Å
920	C	90.6	Very high	91.4	Very high	12 Å²	12	54.6 Å²	54.6	8%	0.081	28%	0.275	C	S	.	.	S	Bend	trans	-96.2	140.7	-175.6	-66.3	0	0	0	0	111.3	C810 N814 Y916 V924 L925	C810-C920 VanDerWaalsContact SG-SG 3.6Å; N814-C920 WeakPolarHBondContact OD1-CA 3.48Å; Y916-C920 VanDerWaalsContact O-CB 3.32Å; Y916-C920 WeakPolarHBondContact O-CB 3.45Å; Y916-C920 PolarHBondContact O-N 2.9Å; C920-V924 HydrophobicContact CB-CB 4.14Å; C920-V924 HydrophobicContact CB-CG1 4.02Å; C920-L925 HydrophobicContact CB-CB 3.91Å
921	E	90.3	Very high	91.7	Very high	62 Å²	62	52.1 Å²	52.1	29%	0.29	26%	0.261	S	S	.	.			trans	-60.8	148.8	166.7	-164.6	-161.1	111	0	0	109.9	N814 Q817 T923 V924 L925	N814-E921 PolarHBondContact OD1-N 3.29Å; Q817-E921 WeakPolarHBondContact CG-OE1 3.45Å; Q817-E921 WeakPolarHBondContact CG-OE2 3.31Å; Q817-E921 PolarHBondContact NE2-OE1 2.86Å; E921-T923 PolarHBondContact O-N 3.38Å; E921-T923 PolarHBondContact OE1-OG1 3.11Å; E921-V924 HydrophobicContact CB-CG2 4.21Å; E921-V924 WeakPolarHBondContact O-CA 3.3Å; E921-V924 WeakPolarHBondContact O-CB 3.4Å; E921-V924 PolarHBondContact O-N 3.06Å; E921-L925 WeakPolarHBondContact O-CB 3.47Å; E921-L925 PolarHBondContact O-N 3.13Å
922	K	90.7	Very high	91.9	Very high	147 Å²	147	47.9 Å²	47.9	64%	0.639	24%	0.235	S	C	*	.	H	α-helix	trans	-46.8	-34.7	-178.3	-168.3	172.7	-173.7	170.8	0	114.6	K926	K922-K926 WeakPolarHBondContact O-CB 3.33Å; K922-K926 VanDerWaalsContact O-CG 3.27Å; K922-K926 WeakPolarHBondContact O-CG 3.39Å; K922-K926 PolarHBondContact O-N 3.05Å
923	T	92	Very high	92.2	Very high	49 Å²	49	47.3 Å²	47.3	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-74.4	-45.6	176.4	-53	0	0	0	0	112.2	Q817 E921 K926 K927	Q817-T923 PolarHBondContact NE2-OG1 2.98Å; E921-T923 PolarHBondContact O-N 3.38Å; E921-T923 PolarHBondContact OE1-OG1 3.11Å; T923-K926 PolarHBondContact O-N 2.84Å; T923-K927 PolarHBondContact O-N 3.18Å; T923-K927 VanDerWaalsContact O-N 3.11Å
924	V	93.7	Very high	92.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-50.4	176.7	-179.7	0	0	0	0	110.1	M813 Q817 L854 C920 E921 K926 K927 L928	M813-V924 HydrophobicContact CB-CG1 3.57Å; M813-V924 HydrophobicContact CB-CG2 4.39Å; M813-V924 HydrophobicContact CE-CG1 4.21Å; M813-V924 HydrophobicContact CG-CG1 4.46Å; M813-V924 HydrophobicContact SD-CG1 4.17Å; Q817-V924 HydrophobicContact CB-CG2 3.72Å; Q817-V924 HydrophobicContact CG-CG2 4.09Å; L854-V924 HydrophobicContact CD1-CG2 4.15Å; L854-V924 HydrophobicContact CD2-CG2 4.45Å; C920-V924 HydrophobicContact CB-CB 4.14Å; C920-V924 HydrophobicContact CB-CG1 4.02Å; E921-V924 HydrophobicContact CB-CG2 4.21Å; E921-V924 WeakPolarHBondContact O-CA 3.3Å; E921-V924 WeakPolarHBondContact O-CB 3.4Å; E921-V924 PolarHBondContact O-N 3.06Å; V924-K926 VanDerWaalsContact C-N 3.3Å; V924-K926 PolarHBondContact O-N 3.24Å; V924-K927 PolarHBondContact O-N 3.35Å; V924-K927 VanDerWaalsContact O-N 3.13Å; V924-L928 WeakPolarHBondContact O-CB 3.28Å; V924-L928 PolarHBondContact O-N 3.07Å
925	L	94	Very high	92.5	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.105	22%	0.223	C	C	.	.	H	α-helix	trans	-53.2	-47.1	176.3	-179.2	64.1	0	0	0	111.3	A917 C920 E921 K927 L928 L929	A917-L925 HydrophobicContact CB-CD1 4.38Å; A917-L925 HydrophobicContact CB-CD2 4.12Å; C920-L925 HydrophobicContact CB-CB 3.91Å; E921-L925 WeakPolarHBondContact O-CB 3.47Å; E921-L925 PolarHBondContact O-N 3.13Å; L925-K927 PolarHBondContact O-N 3.41Å; L925-L928 PolarHBondContact O-N 3.36Å; L925-L929 HydrophobicContact CD1-CD1 4.29Å; L925-L929 HydrophobicContact CD1-CG 4.22Å; L925-L929 HydrophobicContact CG-CD1 4.01Å; L925-L929 HydrophobicContact CG-CG 4.35Å; L925-L929 WeakPolarHBondContact O-CB 3.46Å; L925-L929 VanDerWaalsContact O-CG 3.25Å; L925-L929 WeakPolarHBondContact O-CG 3.47Å; L925-L929 PolarHBondContact O-N 3.37Å
926	K	93.3	Very high	92.7	Very high	75 Å²	75	45.1 Å²	45.1	33%	0.326	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-35.7	179.7	-79.9	179.8	176.9	-170.8	0	113.6	K922 T923 V924 K930	K922-K926 WeakPolarHBondContact O-CB 3.33Å; K922-K926 VanDerWaalsContact O-CG 3.27Å; K922-K926 WeakPolarHBondContact O-CG 3.39Å; K922-K926 PolarHBondContact O-N 3.05Å; T923-K926 PolarHBondContact O-N 2.84Å; V924-K926 VanDerWaalsContact C-N 3.3Å; V924-K926 PolarHBondContact O-N 3.24Å; K926-K930 WeakPolarHBondContact O-CG 3.39Å; K926-K930 PolarHBondContact O-N 2.85Å
927	K	94.1	Very high	92.8	Very high	35 Å²	35	45.1 Å²	45.1	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-66.7	-46.4	172.6	-69.5	-178.3	-175.2	-71.3	0	110	N851 L854 E855 T858 T923 V924 L925 L929 K930 E931	N851-K927 WeakPolarHBondContact OD1-CE 3.39Å; N851-K927 PolarHBondContact OD1-NZ 2.94Å; L854-K927 HydrophobicContact CD2-CD 4Å; L854-K927 HydrophobicContact CG-CD 3.94Å; E855-K927 HydrophobicContact CG-CD 3.9Å; E855-K927 VanDerWaalsContact CG-NZ 3.34Å; E855-K927 IonicContact OE1-NZ 3.48Å; E855-K927 PolarHBondContact OE1-NZ 2.89Å; T858-K927 VanDerWaalsContact CG2-C 3.5Å; T858-K927 HydrophobicContact CG2-CB 3.87Å; T923-K927 PolarHBondContact O-N 3.18Å; T923-K927 VanDerWaalsContact O-N 3.11Å; V924-K927 PolarHBondContact O-N 3.35Å; V924-K927 VanDerWaalsContact O-N 3.13Å; L925-K927 PolarHBondContact O-N 3.41Å; K927-L929 PolarHBondContact O-N 3.02Å; K927-K930 WeakPolarHBondContact O-CB 3.24Å; K927-K930 PolarHBondContact O-N 3.45Å; K927-K930 VanDerWaalsContact O-N 3.15Å; K927-E931 PolarHBondContact O-N 2.64Å
928	L	94.2	Very high	92.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-44.6	179.8	-178.1	57.6	0	0	0	112.2	T858 F861 A862 Y916 V924 L925 K930 E931 L932	T858-L928 HydrophobicContact CG2-CB 3.96Å; T858-L928 HydrophobicContact CG2-CD1 4.24Å; T858-L928 VanDerWaalsContact CG2-N 3.32Å; F861-L928 HydrophobicContact CD1-CD1 3.77Å; F861-L928 HydrophobicContact CD1-CD2 3.94Å; F861-L928 HydrophobicContact CE1-CD1 4.38Å; F861-L928 HydrophobicContact CE1-CD2 3.88Å; A862-L928 HydrophobicContact CB-CD1 4.02Å; Y916-L928 HydrophobicContact CD1-CD2 4.48Å; Y916-L928 HydrophobicContact CD2-CD2 3.78Å; Y916-L928 HydrophobicContact CE2-CD2 4.42Å; Y916-L928 HydrophobicContact CG-CD2 3.85Å; V924-L928 WeakPolarHBondContact O-CB 3.28Å; V924-L928 PolarHBondContact O-N 3.07Å; L925-L928 PolarHBondContact O-N 3.36Å; L928-K930 VanDerWaalsContact C-N 3.31Å; L928-K930 PolarHBondContact O-N 3.2Å; L928-E931 PolarHBondContact O-N 3.5Å; L928-L932 HydrophobicContact CD1-CD1 4.05Å; L928-L932 HydrophobicContact CD1-CG 4.07Å; L928-L932 HydrophobicContact CG-CD1 3.87Å; L928-L932 HydrophobicContact CG-CG 4.33Å; L928-L932 WeakPolarHBondContact O-CB 3.5Å; L928-L932 WeakPolarHBondContact O-CG 3.49Å; L928-L932 PolarHBondContact O-N 3.32Å
929	L	94.4	Very high	92.7	Very high	11 Å²	11	36 Å²	36	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-37.2	175.9	-73.5	175	0	0	0	113	L913 L925 K927 W933 F1016 L1023	L913-L929 HydrophobicContact CD1-CD2 4.19Å; L913-L929 HydrophobicContact CD2-CD2 3.53Å; L913-L929 HydrophobicContact CG-CD2 4.36Å; L925-L929 HydrophobicContact CD1-CD1 4.29Å; L925-L929 HydrophobicContact CD1-CG 4.22Å; L925-L929 HydrophobicContact CG-CD1 4.01Å; L925-L929 HydrophobicContact CG-CG 4.35Å; L925-L929 WeakPolarHBondContact O-CB 3.46Å; L925-L929 VanDerWaalsContact O-CG 3.25Å; L925-L929 WeakPolarHBondContact O-CG 3.47Å; L925-L929 PolarHBondContact O-N 3.37Å; K927-L929 PolarHBondContact O-N 3.02Å; L929-W933 VanDerWaalsContact O-CB 3.24Å; L929-W933 WeakPolarHBondContact O-CB 3.33Å; L929-W933 PolarHBondContact O-N 3.44Å; L929-F1016 HydrophobicContact CD2-CD1 4.18Å; L929-F1016 HydrophobicContact CD2-CE1 4.35Å; L929-F1016 WeakPolarHBondContact O-CE1 3.47Å; L929-L1023 HydrophobicContact CB-CD1 3.99Å; L929-L1023 HydrophobicContact CB-CD2 3.92Å; L929-L1023 HydrophobicContact CB-CG 3.83Å; L929-L1023 HydrophobicContact CD1-CG 4.47Å
930	K	94.1	Very high	92.8	Very high	101 Å²	101	31.5 Å²	31.5	44%	0.439	15%	0.147	S	C	.	.	H	α-helix	trans	-63.2	-43.3	177.2	-74.3	-176	175.5	-171.9	0	111.6	K926 K927 L928 W933 R934 L1023 F1027	K926-K930 WeakPolarHBondContact O-CG 3.39Å; K926-K930 PolarHBondContact O-N 2.85Å; K927-K930 WeakPolarHBondContact O-CB 3.24Å; K927-K930 PolarHBondContact O-N 3.45Å; K927-K930 VanDerWaalsContact O-N 3.15Å; L928-K930 VanDerWaalsContact C-N 3.31Å; L928-K930 PolarHBondContact O-N 3.2Å; K930-W933 WeakPolarHBondContact O-CB 3.34Å; K930-W933 PolarHBondContact O-N 3.07Å; K930-R934 PolarHBondContact O-N 3.36Å; K930-L1023 HydrophobicContact CG-CD1 4.43Å; K930-L1023 HydrophobicContact CG-CD2 3.74Å; K930-F1027 HydrophobicContact CB-CE1 4.31Å; K930-F1027 HydrophobicContact CB-CZ 4.15Å; K930-F1027 HydrophobicContact CD-CE1 4.32Å; K930-F1027 HydrophobicContact CD-CE2 4.05Å; K930-F1027 HydrophobicContact CD-CZ 3.74Å; K930-F1027 HydrophobicContact CG-CE1 3.7Å; K930-F1027 HydrophobicContact CG-CE2 4.33Å; K930-F1027 HydrophobicContact CG-CZ 3.59Å
931	E	93.9	Very high	92.7	Very high	27 Å²	27	31.6 Å²	31.6	13%	0.126	15%	0.146	C	C	.	.	H	α-helix	trans	-76.3	-38.2	-177	-171.2	64.2	-177.3	0	0	111.7	A862 K927 L928 W933 R934 I935	A862-E931 HydrophobicContact CB-CB 3.81Å; A862-E931 HydrophobicContact CB-CG 3.36Å; K927-E931 PolarHBondContact O-N 2.64Å; L928-E931 PolarHBondContact O-N 3.5Å; E931-W933 VanDerWaalsContact C-N 3.31Å; E931-W933 PolarHBondContact O-N 2.77Å; E931-R934 WeakPolarHBondContact O-CB 3.36Å; E931-R934 PolarHBondContact O-N 3.11Å; E931-R934 IonicContact OE1-CZ 2.82Å; E931-R934 VanDerWaalsContact OE1-CZ 3.27Å; E931-R934 IonicContact OE1-NE 2.72Å; E931-R934 PolarHBondContact OE1-NE 2.88Å; E931-R934 IonicContact OE1-NH2 3.89Å; E931-R934 PolarHBondContact OE1-NH2 3.41Å; E931-R934 WeakPolarHBondContact OE2-CD 3.16Å; E931-R934 IonicContact OE2-CZ 3.58Å; E931-R934 IonicContact OE2-NE 2.75Å; E931-R934 PolarHBondContact OE2-NE 3.13Å; E931-R934 IonicContact OE2-NH2 3.73Å; E931-I935 HydrophobicContact CG-CD1 4.25Å; E931-I935 VanDerWaalsContact O-CG1 3.31Å; E931-I935 WeakPolarHBondContact O-CG1 3.33Å; E931-I935 PolarHBondContact O-N 3.07Å
932	L	93.8	Very high	92.2	Very high	5 Å²	5	34 Å²	34	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-62.3	-37.6	170.4	-69.8	176	0	0	0	112.3	A862 L865 I869 L913 Y916 L928 T936 F1016	A862-L932 HydrophobicContact CB-CD2 4.22Å; A862-L932 HydrophobicContact CB-CG 4.5Å; L865-L932 HydrophobicContact CB-CD2 4.15Å; L865-L932 HydrophobicContact CD1-CD2 3.89Å; I869-L932 HydrophobicContact CD1-CD2 3.93Å; L913-L932 HydrophobicContact CD2-CD1 3.79Å; Y916-L932 HydrophobicContact CD2-CD1 4.37Å; Y916-L932 HydrophobicContact CE2-CD1 4.45Å; L928-L932 HydrophobicContact CD1-CD1 4.05Å; L928-L932 HydrophobicContact CD1-CG 4.07Å; L928-L932 HydrophobicContact CG-CD1 3.87Å; L928-L932 HydrophobicContact CG-CG 4.33Å; L928-L932 WeakPolarHBondContact O-CB 3.5Å; L928-L932 WeakPolarHBondContact O-CG 3.49Å; L928-L932 PolarHBondContact O-N 3.32Å; L932-T936 VanDerWaalsContact O-CB 3.3Å; L932-T936 WeakPolarHBondContact O-CB 3.43Å; L932-T936 PolarHBondContact O-N 2.94Å; L932-T936 PolarHBondContact O-OG1 3.18Å; L932-F1016 HydrophobicContact CB-CE1 3.95Å; L932-F1016 HydrophobicContact CB-CZ 4.24Å
933	W	94.9	Very high	91.9	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-61.8	-50.1	172	168.6	-95.7	0	0	0	111.2	L929 K930 E931 I935 T936 I937 I1012 K1013 F1016 L1023 L1028 S1031 Y1034	L929-W933 VanDerWaalsContact O-CB 3.24Å; L929-W933 WeakPolarHBondContact O-CB 3.33Å; L929-W933 PolarHBondContact O-N 3.44Å; K930-W933 WeakPolarHBondContact O-CB 3.34Å; K930-W933 PolarHBondContact O-N 3.07Å; E931-W933 VanDerWaalsContact C-N 3.31Å; E931-W933 PolarHBondContact O-N 2.77Å; W933-I935 VanDerWaalsContact C-N 3.31Å; W933-I935 PolarHBondContact O-N 3.38Å; W933-T936 PolarHBondContact O-N 3.23Å; W933-I937 HydrophobicContact CD2-CD1 4.47Å; W933-I937 HydrophobicContact CD2-CG1 3.79Å; W933-I937 HydrophobicContact CE3-CD1 4.2Å; W933-I937 HydrophobicContact CE3-CG1 4Å; W933-I937 HydrophobicContact CG-CG1 4.42Å; W933-I937 HydrophobicContact CH2-CD1 3.81Å; W933-I937 HydrophobicContact CH2-CG1 4.04Å; W933-I937 HydrophobicContact CZ2-CD1 4.06Å; W933-I937 HydrophobicContact CZ2-CG1 3.81Å; W933-I937 HydrophobicContact CZ3-CD1 3.88Å; W933-I937 HydrophobicContact CZ3-CG1 4.12Å; W933-I937 WeakPolarHBondContact O-CG1 3.44Å; W933-I937 PolarHBondContact O-N 3.31Å; W933-I1012 HydrophobicContact CZ3-CG2 4.06Å; W933-K1013 HydrophobicContact CH2-CB 4.12Å; W933-K1013 HydrophobicContact CH2-CG 4.46Å; W933-K1013 HydrophobicContact CZ3-CB 4.34Å; W933-F1016 HydrophobicContact CB-CD1 3.87Å; W933-F1016 HydrophobicContact CB-CE1 3.83Å; W933-F1016 HydrophobicContact CB-CG 4.47Å; W933-F1016 HydrophobicContact CB-CZ 4.38Å; W933-F1016 HydrophobicContact CE3-CB 3.95Å; W933-F1016 HydrophobicContact CE3-CD1 4.29Å; W933-F1016 AromaticContact CE3-CD2 3.71Å; W933-F1016 HydrophobicContact CE3-CD2 3.71Å; W933-F1016 HydrophobicContact CE3-CE2 4.24Å; W933-F1016 AromaticContact CE3-CG 3.72Å; W933-F1016 HydrophobicContact CE3-CG 3.72Å; W933-F1016 HydrophobicContact CZ3-CB 4.35Å; W933-F1016 HydrophobicContact CZ3-CD2 4.22Å; W933-F1016 HydrophobicContact CZ3-CG 4.42Å; W933-L1023 HydrophobicContact CB-CD1 4.19Å; W933-L1028 HydrophobicContact CD2-CD2 3.47Å; W933-L1028 VanDerWaalsContact CD2-CD2 3.47Å; W933-L1028 HydrophobicContact CE3-CD2 3.68Å; W933-L1028 HydrophobicContact CG-CD2 3.94Å; W933-L1028 HydrophobicContact CH2-CB 4.03Å; W933-L1028 HydrophobicContact CH2-CD2 4.09Å; W933-L1028 HydrophobicContact CZ2-CB 3.8Å; W933-L1028 HydrophobicContact CZ2-CD2 3.9Å; W933-L1028 HydrophobicContact CZ2-CG 4.44Å; W933-L1028 HydrophobicContact CZ3-CD2 3.98Å; W933-S1031 PolarHBondContact NE1-OG 3.19Å; W933-Y1034 AromaticContact CH2-CD2 3.93Å; W933-Y1034 HydrophobicContact CH2-CD2 3.93Å; W933-Y1034 HydrophobicContact CH2-CE2 4.43Å; W933-Y1034 AromaticContact CZ2-CD2 3.81Å; W933-Y1034 HydrophobicContact CZ2-CD2 3.81Å; W933-Y1034 HydrophobicContact CZ2-CG 4.13Å
934	R	94.4	Very high	91.5	Very high	85 Å²	85	27.3 Å²	27.3	32%	0.321	13%	0.125	S	C	.	.	H	α-helix	trans	-53.6	-48	177.5	-165.6	-169	65	68.4	2.7	111.7	K930 E931 S938 E1033	K930-R934 PolarHBondContact O-N 3.36Å; E931-R934 WeakPolarHBondContact O-CB 3.36Å; E931-R934 PolarHBondContact O-N 3.11Å; E931-R934 IonicContact OE1-CZ 2.82Å; E931-R934 VanDerWaalsContact OE1-CZ 3.27Å; E931-R934 IonicContact OE1-NE 2.72Å; E931-R934 PolarHBondContact OE1-NE 2.88Å; E931-R934 IonicContact OE1-NH2 3.89Å; E931-R934 PolarHBondContact OE1-NH2 3.41Å; E931-R934 WeakPolarHBondContact OE2-CD 3.16Å; E931-R934 IonicContact OE2-CZ 3.58Å; E931-R934 IonicContact OE2-NE 2.75Å; E931-R934 PolarHBondContact OE2-NE 3.13Å; E931-R934 IonicContact OE2-NH2 3.73Å; R934-S938 VanDerWaalsContact O-CB 3.25Å; R934-S938 WeakPolarHBondContact O-CB 3.21Å; R934-S938 PolarHBondContact O-N 3.34Å; R934-S938 VanDerWaalsContact O-N 3.07Å; R934-E1033 HydrophobicContact CG-CG 3.86Å; R934-E1033 WeakPolarHBondContact CG-OE1 3.41Å
935	I	93	Very high	91	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-51	177.6	-68.7	166.4	0	0	0	110.6	A862 Q866 I869 E931 W933 I937 S938 C939	A862-I935 HydrophobicContact CB-CD1 3.9Å; A862-I935 WeakPolarHBondContact O-CD1 3.48Å; Q866-I935 HydrophobicContact CB-CD1 4.47Å; Q866-I935 HydrophobicContact CB-CG2 4.06Å; Q866-I935 HydrophobicContact CG-CG2 3.8Å; I869-I935 HydrophobicContact CB-CG2 4.42Å; I869-I935 HydrophobicContact CD1-CG2 3.95Å; I869-I935 HydrophobicContact CG2-CG2 4.22Å; E931-I935 HydrophobicContact CG-CD1 4.25Å; E931-I935 VanDerWaalsContact O-CG1 3.31Å; E931-I935 WeakPolarHBondContact O-CG1 3.33Å; E931-I935 PolarHBondContact O-N 3.07Å; W933-I935 VanDerWaalsContact C-N 3.31Å; W933-I935 PolarHBondContact O-N 3.38Å; I935-I937 PolarHBondContact O-N 2.92Å; I935-S938 PolarHBondContact O-N 3.37Å; I935-C939 WeakPolarHBondContact O-CB 3.35Å; I935-C939 PolarHBondContact O-N 3.27Å; I935-C939 PolarHBondContact O-SG 3.33Å; I935-C939 VanDerWaalsContact O-SG 3.39Å
936	T	93.6	Very high	90	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-58.4	-49.9	-176.9	-56.7	0	0	0	0	111.8	L905 L909 L932 W933 C939 M940 I1012	L905-T936 HydrophobicContact CD1-CG2 4.37Å; L905-T936 HydrophobicContact CD2-CG2 3.97Å; L909-T936 HydrophobicContact CD1-CG2 4.37Å; L932-T936 VanDerWaalsContact O-CB 3.3Å; L932-T936 WeakPolarHBondContact O-CB 3.43Å; L932-T936 PolarHBondContact O-N 2.94Å; L932-T936 PolarHBondContact O-OG1 3.18Å; W933-T936 PolarHBondContact O-N 3.23Å; T936-C939 PolarHBondContact O-N 3.47Å; T936-M940 WeakPolarHBondContact O-CG 3.36Å; T936-M940 PolarHBondContact O-N 3.5Å; T936-I1012 HydrophobicContact CG2-CG2 4.38Å
937	I	94.1	Very high	88.4	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.8	-42.3	-179.2	-60.5	-58.9	0	0	0	111.1	W933 I935 C939 M940 E941 L1009 E1033 L1037	W933-I937 HydrophobicContact CD2-CD1 4.47Å; W933-I937 HydrophobicContact CD2-CG1 3.79Å; W933-I937 HydrophobicContact CE3-CD1 4.2Å; W933-I937 HydrophobicContact CE3-CG1 4Å; W933-I937 HydrophobicContact CG-CG1 4.42Å; W933-I937 HydrophobicContact CH2-CD1 3.81Å; W933-I937 HydrophobicContact CH2-CG1 4.04Å; W933-I937 HydrophobicContact CZ2-CD1 4.06Å; W933-I937 HydrophobicContact CZ2-CG1 3.81Å; W933-I937 HydrophobicContact CZ3-CD1 3.88Å; W933-I937 HydrophobicContact CZ3-CG1 4.12Å; W933-I937 WeakPolarHBondContact O-CG1 3.44Å; W933-I937 PolarHBondContact O-N 3.31Å; I935-I937 PolarHBondContact O-N 2.92Å; I937-C939 VanDerWaalsContact C-N 3.31Å; I937-C939 PolarHBondContact O-N 3.15Å; I937-M940 PolarHBondContact O-N 3.39Å; I937-E941 WeakPolarHBondContact O-CB 3.49Å; I937-E941 PolarHBondContact O-N 3.4Å; I937-L1009 HydrophobicContact CD1-CD2 4.22Å; I937-E1033 HydrophobicContact CB-CB 4.09Å; I937-E1033 VanDerWaalsContact CG2-C 3.44Å; I937-E1033 HydrophobicContact CG2-CB 3.72Å; I937-E1033 WeakPolarHBondContact CG2-O 3.29Å; I937-L1037 HydrophobicContact CG2-CB 4.24Å; I937-L1037 HydrophobicContact CG2-CD1 3.81Å
938	S	89.5	Confident	86.5	Confident	15 Å²	15	28.3 Å²	28.3	11%	0.105	14%	0.141	C	C	.	.	H	α-helix	trans	-67.1	-31.8	177.7	-158.9	0	0	0	0	112.8	R934 I935 K942	R934-S938 VanDerWaalsContact O-CB 3.25Å; R934-S938 WeakPolarHBondContact O-CB 3.21Å; R934-S938 PolarHBondContact O-N 3.34Å; R934-S938 VanDerWaalsContact O-N 3.07Å; I935-S938 PolarHBondContact O-N 3.37Å; S938-K942 VanDerWaalsContact O-CB 3.3Å; S938-K942 WeakPolarHBondContact O-CB 3.39Å; S938-K942 WeakPolarHBondContact O-CG 3.5Å; S938-K942 PolarHBondContact O-N 2.67Å; S938-K942 WeakPolarHBondContact OG-CE 3.19Å; S938-K942 PolarHBondContact OG-NZ 2.92Å
939	C	90	Very high	84.2	Confident	11 Å²	11	32.4 Å²	32.4	7%	0.074	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-48.3	170	-79.2	0	0	0	0	111.4	I869 T873 I935 T936 I937 E941 K942 L943	I869-C939 HydrophobicContact CG2-CB 4.41Å; T873-C939 HydrophobicContact CG2-CB 4.15Å; I935-C939 WeakPolarHBondContact O-CB 3.35Å; I935-C939 PolarHBondContact O-N 3.27Å; I935-C939 PolarHBondContact O-SG 3.33Å; I935-C939 VanDerWaalsContact O-SG 3.39Å; T936-C939 PolarHBondContact O-N 3.47Å; I937-C939 VanDerWaalsContact C-N 3.31Å; I937-C939 PolarHBondContact O-N 3.15Å; C939-E941 VanDerWaalsContact C-N 3.34Å; C939-E941 PolarHBondContact O-N 3.44Å; C939-K942 PolarHBondContact O-N 3.03Å; C939-L943 HydrophobicContact CB-CD1 4.09Å; C939-L943 WeakPolarHBondContact O-CB 3.46Å; C939-L943 WeakPolarHBondContact O-CG 3.49Å; C939-L943 PolarHBondContact O-N 3.38Å
940	M	91.1	Very high	81.9	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-43.8	177.8	-70.9	-177.8	77.1	0	0	112.2	T873 L876 L905 T936 I937 V944 V945 L1005 L1009 I1012 L1037	T873-M940 HydrophobicContact CG2-CB 4.5Å; T873-M940 HydrophobicContact CG2-CG 4.02Å; L876-M940 HydrophobicContact CD1-CE 4.35Å; L905-M940 HydrophobicContact CD2-SD 4.37Å; T936-M940 WeakPolarHBondContact O-CG 3.36Å; T936-M940 PolarHBondContact O-N 3.5Å; I937-M940 PolarHBondContact O-N 3.39Å; M940-V944 WeakPolarHBondContact O-CB 3.41Å; M940-V944 PolarHBondContact O-N 2.86Å; M940-V945 PolarHBondContact O-N 3.04Å; M940-L1005 HydrophobicContact CE-CD2 4.49Å; M940-L1009 HydrophobicContact CE-CD2 3.97Å; M940-L1009 HydrophobicContact SD-CD2 4.12Å; M940-I1012 HydrophobicContact CE-CD1 3.77Å; M940-I1012 HydrophobicContact SD-CD1 3.24Å; M940-I1012 WeakPolarHBondContact SD-CD1 3.2Å; M940-L1037 HydrophobicContact CB-CD1 3.76Å
941	E	87.4	Confident	79.2	Confident	13 Å²	13	34.6 Å²	34.6	6%	0.061	18%	0.177	C	C	.	.	I	π-helix	trans	-58.9	-51.2	176.2	-176.5	-177.9	-145.6	0	0	111.6	I937 C939 L946 S1036 L1037	I937-E941 WeakPolarHBondContact O-CB 3.49Å; I937-E941 PolarHBondContact O-N 3.4Å; C939-E941 VanDerWaalsContact C-N 3.34Å; C939-E941 PolarHBondContact O-N 3.44Å; E941-L946 HydrophobicContact CG-CD1 3.96Å; E941-L946 HydrophobicContact CG-CG 4.31Å; E941-L946 WeakPolarHBondContact O-CB 3.42Å; E941-L946 VanDerWaalsContact O-CG 3.32Å; E941-L946 WeakPolarHBondContact O-CG 3.27Å; E941-L946 PolarHBondContact O-N 3.34Å; E941-S1036 WeakPolarHBondContact OE1-CB 3.32Å; E941-S1036 PolarHBondContact OE1-OG 2.95Å; E941-L1037 HydrophobicContact CB-CB 4.15Å; E941-L1037 HydrophobicContact CB-CD1 4Å; E941-L1037 HydrophobicContact CB-CG 3.99Å; E941-L1037 HydrophobicContact CG-CB 4.36Å; E941-L1037 HydrophobicContact CG-CG 4.48Å
942	K	81.2	Confident	76.7	Confident	113 Å²	113	40.6 Å²	40.6	49%	0.491	20%	0.203	S	C	.	.	I	π-helix	trans	-81.9	-20	-171.1	-69.7	168.2	179.3	159.8	0	115.2	S938 C939	S938-K942 VanDerWaalsContact O-CB 3.3Å; S938-K942 WeakPolarHBondContact O-CB 3.39Å; S938-K942 WeakPolarHBondContact O-CG 3.5Å; S938-K942 PolarHBondContact O-N 2.67Å; S938-K942 WeakPolarHBondContact OG-CE 3.19Å; S938-K942 PolarHBondContact OG-NZ 2.92Å; C939-K942 PolarHBondContact O-N 3.03Å
943	L	82.5	Confident	74.1	Confident	40 Å²	40	45.3 Å²	45.3	21%	0.209	23%	0.228	C	C	.	.	I	π-helix	trans	-113.7	-21.1	-173.1	-53.5	172.8	0	0	0	113.7	Y870 T873 V874 C939	Y870-L943 HydrophobicContact CD2-CD1 3.47Å; Y870-L943 VanDerWaalsContact CD2-CD1 3.47Å; Y870-L943 HydrophobicContact CD2-CD2 4.2Å; Y870-L943 HydrophobicContact CD2-CG 4.44Å; Y870-L943 HydrophobicContact CE2-CD1 3.63Å; Y870-L943 HydrophobicContact CE2-CD2 3.48Å; Y870-L943 VanDerWaalsContact CE2-CD2 3.48Å; Y870-L943 HydrophobicContact CE2-CG 4.19Å; Y870-L943 HydrophobicContact CG-CD1 3.98Å; T873-L943 HydrophobicContact CG2-CB 4.31Å; T873-L943 HydrophobicContact CG2-CD1 4.2Å; V874-L943 HydrophobicContact CG2-CD1 4.31Å; C939-L943 HydrophobicContact CB-CD1 4.09Å; C939-L943 WeakPolarHBondContact O-CB 3.46Å; C939-L943 WeakPolarHBondContact O-CG 3.49Å; C939-L943 PolarHBondContact O-N 3.38Å
944	V	85.1	Confident	71.4	Confident	16 Å²	16	49.4 Å²	49.4	10%	0.097	25%	0.25	C	C	.	.	I	π-helix	trans	-123.4	-42.7	-173.4	-173.4	0	0	0	0	112	T873 L876 L880 M940 L1005	T873-V944 HydrophobicContact CG2-CG2 3.68Å; L876-V944 HydrophobicContact CD2-CB 4.49Å; L876-V944 HydrophobicContact CD2-CG1 3.88Å; L876-V944 HydrophobicContact CD2-CG2 4.01Å; L880-V944 HydrophobicContact CD2-CG1 3.67Å; M940-V944 WeakPolarHBondContact O-CB 3.41Å; M940-V944 PolarHBondContact O-N 2.86Å; V944-L1005 HydrophobicContact CG1-CD1 4.36Å; V944-L1005 HydrophobicContact CG1-CD2 4.06Å
945	V	83.5	Confident	68.6	Low	3 Å²	3	49.6 Å²	49.6	2%	0.018	26%	0.257	C	S	.	.	I	π-helix	trans	-82.3	-52.1	179.5	-178.3	0	0	0	0	111.3	M940 L1005 L1037 A1040 L1041 Y1044	M940-V945 PolarHBondContact O-N 3.04Å; V945-L1005 HydrophobicContact CG2-CD1 4.19Å; V945-L1037 HydrophobicContact CG2-CD2 3.95Å; V945-L1037 HydrophobicContact CG2-CG 4.07Å; V945-A1040 HydrophobicContact CG1-CB 3.87Å; V945-L1041 HydrophobicContact CG1-CD2 3.99Å; V945-L1041 HydrophobicContact CG1-CG 4.15Å; V945-L1041 HydrophobicContact CG2-CD2 4.07Å; V945-L1041 HydrophobicContact CG2-CG 4.3Å; V945-Y1044 HydrophobicContact CG1-CE2 4.13Å; V945-Y1044 WeakPolarHBondContact O-CE2 3.49Å; V945-Y1044 PolarHBondContact O-OH 3.49Å
946	L	71.2	Confident	66.1	Low	7 Å²	7	57.8 Å²	57.8	4%	0.037	29%	0.292	C	S	.	.	S	Bend	trans	-88.4	135.3	-179.8	-60	175.9	0	0	0	110.3	E941 A1040 I1211	E941-L946 HydrophobicContact CG-CD1 3.96Å; E941-L946 HydrophobicContact CG-CG 4.31Å; E941-L946 WeakPolarHBondContact O-CB 3.42Å; E941-L946 VanDerWaalsContact O-CG 3.32Å; E941-L946 WeakPolarHBondContact O-CG 3.27Å; E941-L946 PolarHBondContact O-N 3.34Å; L946-A1040 HydrophobicContact CD2-CB 4.16Å; L946-I1211 HydrophobicContact CD1-CG1 4.12Å; L946-I1211 HydrophobicContact CD2-CB 4.48Å; L946-I1211 HydrophobicContact CD2-CG1 4.26Å; L946-I1211 HydrophobicContact CD2-CG2 3.94Å
947	P	60.8	Low	63.3	Low	22 Å²	22	64.9 Å²	64.9	14%	0.143	33%	0.325	C	S	.	.			trans	-59.9	144	173	19.7	-30	0	0	0	111.5	Y949 Y1044 R1214 Q1218	P947-Y949 PolarHBondContact O-N 2.79Å; P947-Y1044 WeakPolarHBondContact CD-OH 3.15Å; P947-R1214 HydrophobicContact CG-CB 3.85Å; P947-R1214 WeakPolarHBondContact CG-O 3.47Å; P947-Q1218 HydrophobicContact CB-CG 4.03Å; P947-Q1218 HydrophobicContact CG-CG 3.89Å
948	V	54.2	Low	60.3	Low	119 Å²	119	69.9 Å²	69.9	72%	0.721	35%	0.351	S	S	*	.			trans	-59.9	103.1	178.5	-177.6	0	0	0	0	109.4	P950	V948-P950 WeakPolarHBondContact O-CD 3.35Å
949	Y	46.7	Very low	57.6	Low	87 Å²	87	73.4 Å²	73.4	34%	0.341	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-77.3	120.8	166.2	-148.9	-87.8	0	0	0	107	P947 D951 L955 R1214	P947-Y949 PolarHBondContact O-N 2.79Å; Y949-D951 PolarHBondContact O-N 2.95Å; Y949-L955 HydrophobicContact CD1-CD1 4.46Å; Y949-L955 HydrophobicContact CE1-CD1 4.07Å; Y949-R1214 HydrophobicContact CD2-CG 3.92Å
950	P	45.4	Very low	55	Low	72 Å²	72	77 Å²	77	47%	0.468	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-56.2	134	175.1	19.6	-28.1	0	0	0	109.3	V948 L955	V948-P950 WeakPolarHBondContact O-CD 3.35Å; P950-L955 HydrophobicContact CB-CD1 4.33Å; P950-L955 HydrophobicContact CG-CD1 3.88Å; P950-L955 WeakPolarHBondContact O-CD1 3.38Å
951	D	37	Very low	52.3	Low	85 Å²	85	79.2 Å²	79.2	46%	0.455	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-53.1	147.5	-164.1	-174.5	20	0	0	0	112.7	Y949 N953 L954 L955	Y949-D951 PolarHBondContact O-N 2.95Å; D951-N953 PolarHBondContact O-N 3.42Å; D951-N953 PolarHBondContact OD2-ND2 2.91Å; D951-L954 HydrophobicContact CB-CD1 4.4Å; D951-L954 PolarHBondContact O-N 3.42Å; D951-L955 PolarHBondContact O-N 2.74Å
952	K	41.9	Very low	49.9	Very low	154 Å²	154	84.2 Å²	84.2	67%	0.67	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.9	177.2	-76.7	-177.2	175.7	176.5	0	112.3	K956	K952-K956 WeakPolarHBondContact O-CG 2.8Å
953	N	38.9	Very low	47.8	Very low	103 Å²	103	86.5 Å²	86.5	55%	0.551	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-31	173.8	-58.6	-49.5	0	0	0	113.6	D951	D951-N953 PolarHBondContact O-N 3.42Å; D951-N953 PolarHBondContact OD2-ND2 2.91Å
954	L	37.2	Very low	45.7	Very low	88 Å²	88	87.4 Å²	87.4	46%	0.461	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-37.6	174.1	-84.9	161	0	0	0	111.7	D951 K956 Q957 L958	D951-L954 HydrophobicContact CB-CD1 4.4Å; D951-L954 PolarHBondContact O-N 3.42Å; L954-K956 PolarHBondContact O-N 3.45Å; L954-Q957 PolarHBondContact O-N 2.93Å; L954-L958 HydrophobicContact CD2-CD1 4.48Å; L954-L958 PolarHBondContact O-N 3.41Å
955	L	37.4	Very low	43.6	Very low	88 Å²	88	90.3 Å²	90.3	46%	0.461	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.5	173.7	-108.4	108.4	0	0	0	113.5	Y949 P950 D951 Q957	Y949-L955 HydrophobicContact CD1-CD1 4.46Å; Y949-L955 HydrophobicContact CE1-CD1 4.07Å; P950-L955 HydrophobicContact CB-CD1 4.33Å; P950-L955 HydrophobicContact CG-CD1 3.88Å; P950-L955 WeakPolarHBondContact O-CD1 3.38Å; D951-L955 PolarHBondContact O-N 2.74Å; L955-Q957 PolarHBondContact O-N 3.07Å
956	K	38.9	Very low	41.5	Very low	175 Å²	175	93.4 Å²	93.4	76%	0.761	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.5	171	-79.3	-178.5	172.9	-171.6	0	113.8	K952 L954	K952-K956 WeakPolarHBondContact O-CG 2.8Å; L954-K956 PolarHBondContact O-N 3.45Å
957	Q	35.3	Very low	39.9	Very low	149 Å²	149	96.7 Å²	96.7	70%	0.696	53%	0.525	S	S	*	.	S	Bend	trans	-116.9	1.2	-177.2	-64.3	-175.1	-12.2	0	0	113.4	L954 L955	L954-Q957 PolarHBondContact O-N 2.93Å; L955-Q957 PolarHBondContact O-N 3.07Å
958	L	32.3	Very low	39	Very low	105 Å²	105	103 Å²	103	55%	0.55	55%	0.55	S	S	.	.			trans	-127.9	90.7	-172.6	-73.1	171.2	0	0	0	112	L954	L954-L958 HydrophobicContact CD2-CD1 4.48Å; L954-L958 PolarHBondContact O-N 3.41Å
959	P	31.6	Very low	38.3	Very low	89 Å²	89	102.3 Å²	102.3	58%	0.578	54%	0.54	S	S	*	.			trans	-85	116	-178.7	-3.2	22.5	0	0	0	112	A961 Y1237	P959-A961 PolarHBondContact O-N 3.47Å; P959-A961 VanDerWaalsContact O-N 3.15Å; P959-Y1237 HydrophobicContact CB-CD1 3.76Å; P959-Y1237 HydrophobicContact CB-CE1 3.31Å
960	N	36	Very low	38	Very low	88 Å²	88	101.2 Å²	101.2	47%	0.471	54%	0.54	S	S	.	.			trans	35.6	55.4	167.7	-96.8	5.7	0	0	0	116.8	Y1237	N960-Y1237 WeakPolarHBondContact CA-OH 3.36Å; N960-Y1237 HydrophobicContact CB-CE1 3.69Å; N960-Y1237 HydrophobicContact CB-CE2 4.29Å; N960-Y1237 VanDerWaalsContact CB-CZ 3.43Å; N960-Y1237 WeakPolarHBondContact CB-OH 3.42Å; N960-Y1237 PolarHBondContact N-OH 2.96Å; N960-Y1237 PolarHBondContact OD1-OH 3.29Å
961	A	33.9	Very low	37.8	Very low	47 Å²	47	101.5 Å²	101.5	39%	0.388	54%	0.544	S	S	.	.			trans	-77.3	128.1	156.4	0	0	0	0	0	109.2	P959 D965 V966	P959-A961 PolarHBondContact O-N 3.47Å; P959-A961 VanDerWaalsContact O-N 3.15Å; A961-D965 HydrophobicContact CB-CB 4.3Å; A961-V966 HydrophobicContact CB-CG2 4.09Å
962	K	36.4	Very low	38.1	Very low	118 Å²	118	103.6 Å²	103.6	51%	0.513	56%	0.555	S	S	.	*			trans	-57.7	151.3	158.7	-73	175.2	177.7	165.7	0	108.1	G964 D965 E1173	K962-G964 PolarHBondContact O-N 2.92Å; K962-D965 PolarHBondContact O-N 3.15Å; K962-E1173 WeakPolarHBondContact CE-OE1 3.46Å; K962-E1173 IonicContact NZ-OE1 3.25Å; K962-E1173 PolarHBondContact NZ-OE1 3.36Å
963	I	38.5	Very low	38.3	Very low	162 Å²	162	101.9 Å²	101.9	83%	0.831	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-24.8	178.9	-68.1	169.9	0	0	0	112.1
964	G	37.1	Very low	38.4	Very low	59 Å²	59	99.6 Å²	99.6	61%	0.608	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-22.7	172	0	0	0	0	0	117.3	K962	K962-G964 PolarHBondContact O-N 2.92Å
965	D	41.7	Very low	38.7	Very low	76 Å²	76	104.7 Å²	104.7	41%	0.406	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.3	-17.6	-176.1	-72.7	-53.2	0	0	0	113.5	A961 K962 S967 K968 M969	A961-D965 HydrophobicContact CB-CB 4.3Å; K962-D965 PolarHBondContact O-N 3.15Å; D965-S967 PolarHBondContact O-N 2.98Å; D965-S967 VanDerWaalsContact O-N 3.16Å; D965-K968 PolarHBondContact O-N 3.46Å; D965-M969 PolarHBondContact O-N 3.28Å
966	V	40.1	Very low	39	Very low	68 Å²	68	108 Å²	108	41%	0.412	57%	0.568	S	S	.	*	H	α-helix	trans	-50.6	-38.1	171.2	179	0	0	0	0	111	A961 K968 M969 L970	A961-V966 HydrophobicContact CB-CG2 4.09Å; V966-K968 VanDerWaalsContact C-N 3.29Å; V966-K968 PolarHBondContact O-N 3.43Å; V966-M969 PolarHBondContact O-N 3.06Å; V966-L970 HydrophobicContact CG1-CD1 3.6Å; V966-L970 PolarHBondContact O-N 3.41Å
967	S	37.3	Very low	39.2	Very low	77 Å²	77	103.1 Å²	103.1	54%	0.538	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-28	177.8	-168.4	0	0	0	0	114.3	D965 S971	D965-S967 PolarHBondContact O-N 2.98Å; D965-S967 VanDerWaalsContact O-N 3.16Å; S967-S971 PolarHBondContact O-OG 2.85Å
968	K	42.1	Very low	39.4	Very low	153 Å²	153	106.4 Å²	106.4	67%	0.665	56%	0.564	S	S	*	*	H	α-helix	trans	-89.9	-35.3	-179.9	-76.1	178.2	180	168.7	0	112.8	D965 V966 S971	D965-K968 PolarHBondContact O-N 3.46Å; V966-K968 VanDerWaalsContact C-N 3.29Å; V966-K968 PolarHBondContact O-N 3.43Å; K968-S971 WeakPolarHBondContact O-CB 3.39Å
969	M	38.6	Very low	39.7	Very low	106 Å²	106	106.2 Å²	106.2	52%	0.522	57%	0.572	S	S	.	*	H	α-helix	trans	-76.2	-36.6	179.8	-77.7	-169.4	69.2	0	0	113.5	D965 V966 S971 N972 H973	D965-M969 PolarHBondContact O-N 3.28Å; V966-M969 PolarHBondContact O-N 3.06Å; M969-S971 PolarHBondContact O-N 2.99Å; M969-N972 PolarHBondContact O-N 3.24Å; M969-H973 PolarHBondContact O-N 2.76Å
970	L	40	Very low	40.3	Very low	64 Å²	64	105.6 Å²	105.6	34%	0.335	56%	0.563	S	S	.	*	H	α-helix	trans	-58.1	-33	173.1	-96.8	139.2	0	0	0	112.2	V966 N972 H973 L974 V986	V966-L970 HydrophobicContact CG1-CD1 3.6Å; V966-L970 PolarHBondContact O-N 3.41Å; L970-N972 PolarHBondContact O-N 2.97Å; L970-H973 PolarHBondContact O-N 3.25Å; L970-L974 HydrophobicContact CB-CD1 4.39Å; L970-L974 HydrophobicContact CD2-CD1 3.66Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.25Å; L970-L974 PolarHBondContact O-N 3.21Å; L970-V986 HydrophobicContact CD1-CG1 3.89Å; L970-V986 HydrophobicContact CD2-CG1 4.29Å
971	S	42.5	Very low	40.6	Very low	78 Å²	78	106.4 Å²	106.4	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-61.1	-23.8	176.5	-61.5	0	0	0	0	114	S967 K968 M969	S967-S971 PolarHBondContact O-OG 2.85Å; K968-S971 WeakPolarHBondContact O-CB 3.39Å; M969-S971 PolarHBondContact O-N 2.99Å
972	N	41.8	Very low	41.1	Very low	128 Å²	128	106.1 Å²	106.1	68%	0.684	57%	0.571	S	S	*	*	H	α-helix	trans	-94.5	-32.7	-179.8	-72.2	-17.6	0	0	0	113.2	M969 L970	M969-N972 PolarHBondContact O-N 3.24Å; L970-N972 PolarHBondContact O-N 2.97Å
973	H	46.2	Very low	41.4	Very low	119 Å²	119	104.7 Å²	104.7	55%	0.551	57%	0.572	S	S	*	*	H	α-helix	trans	-89.8	-11.3	177	-77	-76.3	0	0	0	114.5	M969 L970 K975 E976	M969-H973 PolarHBondContact O-N 2.76Å; L970-H973 PolarHBondContact O-N 3.25Å; H973-K975 PolarHBondContact O-N 2.86Å; H973-E976 PolarHBondContact O-N 3.47Å
974	L	42	Very low	41.6	Very low	55 Å²	55	103.8 Å²	103.8	29%	0.288	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-15.4	176.5	-122.8	73.6	0	0	0	114.5	L970 E976 V983	L970-L974 HydrophobicContact CB-CD1 4.39Å; L970-L974 HydrophobicContact CD2-CD1 3.66Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.25Å; L970-L974 PolarHBondContact O-N 3.21Å; L974-E976 VanDerWaalsContact C-N 3.26Å; L974-E976 PolarHBondContact O-N 2.88Å; L974-V983 HydrophobicContact CD2-CG2 4.3Å
975	K	43	Very low	41.8	Very low	195 Å²	195	105.2 Å²	105.2	85%	0.848	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-14.3	179.9	-71.1	-177.2	177.7	176.4	0	114.2	H973	H973-K975 PolarHBondContact O-N 2.86Å
976	E	43.1	Very low	41.8	Very low	158 Å²	158	103.5 Å²	103.5	74%	0.738	55%	0.545	S	S	*	.	S	Bend	trans	-107.4	-12.2	-175.1	-63.3	-177.9	145.9	0	0	113.4	H973 L974	H973-E976 PolarHBondContact O-N 3.47Å; L974-E976 VanDerWaalsContact C-N 3.26Å; L974-E976 PolarHBondContact O-N 2.88Å
977	V	44.1	Very low	41.7	Very low	71 Å²	71	104.4 Å²	104.4	43%	0.43	55%	0.545	S	S	.	.			trans	-99.8	98.4	-177.3	-174.4	0	0	0	0	110.9	S979 I980	V977-S979 PolarHBondContact O-N 3.03Å; V977-I980 HydrophobicContact CG1-CD1 3.99Å; V977-I980 HydrophobicContact CG1-CG1 4.02Å
978	K	38.5	Very low	41.9	Very low	218 Å²	218	103.5 Å²	103.5	95%	0.948	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	21.1	-176.6	-69.8	-174.5	175	178.6	0	115.9
979	S	39.2	Very low	41.9	Very low	102 Å²	102	101.9 Å²	101.9	71%	0.713	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.6	9.2	-168.9	63.3	0	0	0	0	117	V977	V977-S979 PolarHBondContact O-N 3.03Å
980	I	44.4	Very low	41.9	Very low	76 Å²	76	99.7 Å²	99.7	39%	0.39	53%	0.532	S	S	.	.			trans	-110	118.9	175.3	-60.6	175.7	0	0	0	108.8	V977 V986	V977-I980 HydrophobicContact CG1-CD1 3.99Å; V977-I980 HydrophobicContact CG1-CG1 4.02Å; I980-V986 HydrophobicContact CG2-CG2 4.03Å
981	S	41.4	Very low	42	Very low	104 Å²	104	103.9 Å²	103.9	73%	0.727	54%	0.543	S	S	*	.			trans	-90	-22.3	-164.5	79.5	0	0	0	0	114.1	E985	S981-E985 PolarHBondContact N-OE2 2.98Å; S981-E985 PolarHBondContact OG-OE1 3.28Å; S981-E985 PolarHBondContact OG-OE2 3.49Å
982	S	45.3	Very low	42.2	Very low	42 Å²	42	106.5 Å²	106.5	29%	0.294	55%	0.546	S	S	.	.			trans	-153	149.6	172.8	70.5	0	0	0	0	114.2	K984 E985	S982-K984 PolarHBondContact O-N 3.05Å; S982-K984 VanDerWaalsContact O-N 3.15Å; S982-E985 PolarHBondContact N-OE2 3.36Å; S982-E985 PolarHBondContact O-N 3.19Å; S982-E985 PolarHBondContact OG-N 3.44Å
983	V	41.9	Very low	42.5	Very low	88 Å²	88	103.5 Å²	103.5	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-58.4	-23.8	168.3	177.9	0	0	0	0	111.5	L974 V986 M987	L974-V983 HydrophobicContact CD2-CG2 4.3Å; V983-V986 PolarHBondContact O-N 3.34Å; V983-M987 HydrophobicContact CG1-CG 4.34Å; V983-M987 HydrophobicContact CG1-SD 4.36Å; V983-M987 WeakPolarHBondContact O-CG 3.43Å; V983-M987 PolarHBondContact O-N 3.41Å
984	K	43.8	Very low	42.7	Very low	143 Å²	143	101.2 Å²	101.2	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-64.1	-42.6	177.5	-175	-180	176	-170.9	0	112.2	S982 V986 M987 D988	S982-K984 PolarHBondContact O-N 3.05Å; S982-K984 VanDerWaalsContact O-N 3.15Å; K984-V986 VanDerWaalsContact C-N 3.27Å; K984-V986 PolarHBondContact O-N 2.71Å; K984-M987 PolarHBondContact O-N 3.15Å; K984-D988 WeakPolarHBondContact CE-OD2 3.18Å; K984-D988 WeakPolarHBondContact CG-OD2 3.32Å; K984-D988 WeakPolarHBondContact O-CB 3.34Å; K984-D988 VanDerWaalsContact O-CG 3.31Å; K984-D988 PolarHBondContact O-N 2.89Å
985	E	40.9	Very low	43.5	Very low	89 Å²	89	106.4 Å²	106.4	42%	0.416	54%	0.543	S	S	.	.	H	α-helix	trans	-59.1	-39.7	176.6	-69.5	167.2	133.7	0	0	111.6	S981 S982 D988 L989	S981-E985 PolarHBondContact N-OE2 2.98Å; S981-E985 PolarHBondContact OG-OE1 3.28Å; S981-E985 PolarHBondContact OG-OE2 3.49Å; S982-E985 PolarHBondContact N-OE2 3.36Å; S982-E985 PolarHBondContact O-N 3.19Å; S982-E985 PolarHBondContact OG-N 3.44Å; E985-D988 PolarHBondContact O-N 3.09Å; E985-L989 WeakPolarHBondContact O-CB 3.36Å; E985-L989 PolarHBondContact O-N 3.12Å
986	V	41.3	Very low	44.7	Very low	39 Å²	39	100.1 Å²	100.1	24%	0.236	52%	0.524	C	S	.	.	H	α-helix	trans	-71.2	-37.6	177.7	-176.5	0	0	0	0	111.9	L970 I980 V983 K984 A990	L970-V986 HydrophobicContact CD1-CG1 3.89Å; L970-V986 HydrophobicContact CD2-CG1 4.29Å; I980-V986 HydrophobicContact CG2-CG2 4.03Å; V983-V986 PolarHBondContact O-N 3.34Å; K984-V986 VanDerWaalsContact C-N 3.27Å; K984-V986 PolarHBondContact O-N 2.71Å; V986-A990 WeakPolarHBondContact O-CB 3.37Å; V986-A990 PolarHBondContact O-N 2.88Å; V986-A990 VanDerWaalsContact O-N 3.12Å
987	M	37.8	Very low	46.4	Very low	87 Å²	87	93.7 Å²	93.7	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-71.8	-30.9	174.5	-70.8	-171.9	78	0	0	113.2	V983 K984 R991	V983-M987 HydrophobicContact CG1-CG 4.34Å; V983-M987 HydrophobicContact CG1-SD 4.36Å; V983-M987 WeakPolarHBondContact O-CG 3.43Å; V983-M987 PolarHBondContact O-N 3.41Å; K984-M987 PolarHBondContact O-N 3.15Å; M987-R991 WeakPolarHBondContact O-CD 3.33Å; M987-R991 VanDerWaalsContact O-CG 3.3Å; M987-R991 WeakPolarHBondContact O-CG 3.47Å; M987-R991 PolarHBondContact O-N 3.37Å
988	D	42.4	Very low	48.1	Very low	58 Å²	58	93 Å²	93	31%	0.31	49%	0.49	S	S	.	.	H	α-helix	trans	-76.9	-41.2	177.1	-70	-21.2	0	0	0	110	K984 E985 A990 R991 E992	K984-D988 WeakPolarHBondContact CE-OD2 3.18Å; K984-D988 WeakPolarHBondContact CG-OD2 3.32Å; K984-D988 WeakPolarHBondContact O-CB 3.34Å; K984-D988 VanDerWaalsContact O-CG 3.31Å; K984-D988 PolarHBondContact O-N 2.89Å; E985-D988 PolarHBondContact O-N 3.09Å; D988-A990 VanDerWaalsContact C-N 3.3Å; D988-A990 PolarHBondContact O-N 3.07Å; D988-R991 CarbonylContact O-C 3.4Å; D988-R991 WeakPolarHBondContact O-CA 3.37Å; D988-R991 PolarHBondContact O-N 3.49Å; D988-R991 IonicContact OD1-NH1 3.89Å; D988-E992 WeakPolarHBondContact O-CG 3.5Å; D988-E992 PolarHBondContact O-N 2.67Å
989	L	41.2	Very low	50.1	Low	119 Å²	119	87 Å²	87	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-55.2	-40.9	168.2	-88.2	159.9	0	0	0	113.1	E985 R991 E992	E985-L989 WeakPolarHBondContact O-CB 3.36Å; E985-L989 PolarHBondContact O-N 3.12Å; L989-R991 VanDerWaalsContact C-N 3.26Å; L989-R991 PolarHBondContact O-N 2.85Å; L989-E992 PolarHBondContact O-N 2.98Å
990	A	38.2	Very low	52.2	Low	61 Å²	61	82.8 Å²	82.8	50%	0.504	44%	0.443	S	S	.	.	H	α-helix	trans	-74.3	-11.7	176.6	0	0	0	0	0	114.3	V986 D988 S993	V986-A990 WeakPolarHBondContact O-CB 3.37Å; V986-A990 PolarHBondContact O-N 2.88Å; V986-A990 VanDerWaalsContact O-N 3.12Å; D988-A990 VanDerWaalsContact C-N 3.3Å; D988-A990 PolarHBondContact O-N 3.07Å; A990-S993 PolarHBondContact O-OG 2.98Å; A990-S993 VanDerWaalsContact O-OG 3.08Å
991	R	42.3	Very low	54.3	Low	151 Å²	151	79.9 Å²	79.9	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-100	-21.1	172.8	-76.1	168.8	168.6	165.9	-3.3	112.7	M987 D988 L989 S993 D994	M987-R991 WeakPolarHBondContact O-CD 3.33Å; M987-R991 VanDerWaalsContact O-CG 3.3Å; M987-R991 WeakPolarHBondContact O-CG 3.47Å; M987-R991 PolarHBondContact O-N 3.37Å; D988-R991 CarbonylContact O-C 3.4Å; D988-R991 WeakPolarHBondContact O-CA 3.37Å; D988-R991 PolarHBondContact O-N 3.49Å; D988-R991 IonicContact OD1-NH1 3.89Å; L989-R991 VanDerWaalsContact C-N 3.26Å; L989-R991 PolarHBondContact O-N 2.85Å; R991-S993 VanDerWaalsContact C-N 3.27Å; R991-D994 WeakPolarHBondContact O-CB 3.43Å; R991-D994 PolarHBondContact O-N 3.2Å
992	E	46.9	Very low	56.5	Low	133 Å²	133	75.6 Å²	75.6	62%	0.621	40%	0.397	S	S	*	.	H	α-helix	trans	-74.1	-19.2	175.8	-76.6	-178.1	160.9	0	0	112.4	D988 L989 D994	D988-E992 WeakPolarHBondContact O-CG 3.5Å; D988-E992 PolarHBondContact O-N 2.67Å; L989-E992 PolarHBondContact O-N 2.98Å; E992-D994 PolarHBondContact O-N 3.3Å
993	S	48.1	Very low	58.5	Low	65 Å²	65	76.9 Å²	76.9	46%	0.455	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.2	168.9	47.3	0	0	0	0	115.1	A990 R991 R995	A990-S993 PolarHBondContact O-OG 2.98Å; A990-S993 VanDerWaalsContact O-OG 3.08Å; R991-S993 VanDerWaalsContact C-N 3.27Å; S993-R995 PolarHBondContact O-N 3.3Å
994	D	50	Low	60.9	Low	71 Å²	71	72.7 Å²	72.7	38%	0.38	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.8	-166.4	-62.4	-24.8	0	0	0	115	R991 E992 Q1220	R991-D994 WeakPolarHBondContact O-CB 3.43Å; R991-D994 PolarHBondContact O-N 3.2Å; E992-D994 PolarHBondContact O-N 3.3Å; D994-Q1220 PolarHBondContact OD1-NE2 3.22Å
995	R	58.9	Low	63.1	Low	164 Å²	164	66 Å²	66	62%	0.619	35%	0.349	S	S	*	.			trans	-130.2	118.5	-179.5	-65.9	-173.6	-179.2	159.7	8.7	112.9	S993 Q1218	S993-R995 PolarHBondContact O-N 3.3Å; R995-Q1218 PolarHBondContact O-NE2 3.03Å; R995-Q1218 VanDerWaalsContact O-NE2 3.09Å
996	S	69	Low	65.4	Low	63 Å²	63	64.7 Å²	64.7	44%	0.441	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-66.9	152.4	161.3	54.1	0	0	0	0	110.8	T998	S996-T998 PolarHBondContact O-N 3.48Å
997	L	78.9	Confident	67.8	Low	23 Å²	23	64.1 Å²	64.1	12%	0.12	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-64.9	130.7	172.1	-67.5	175.4	0	0	0	110.2	L880 Q1001 L1005 Y1044	L880-L997 HydrophobicContact CD2-CD2 3.72Å; L997-Q1001 HydrophobicContact CD2-CB 4.27Å; L997-L1005 HydrophobicContact CD1-CD1 4.1Å; L997-Y1044 HydrophobicContact CB-CD1 3.87Å; L997-Y1044 HydrophobicContact CB-CE1 4.05Å; L997-Y1044 HydrophobicContact CB-CG 4.26Å; L997-Y1044 HydrophobicContact CD1-CD2 4.22Å; L997-Y1044 HydrophobicContact CD1-CE1 4.47Å; L997-Y1044 HydrophobicContact CD1-CE2 4.03Å; L997-Y1044 HydrophobicContact CG-CE1 4.28Å
998	T	79.1	Confident	70.4	Confident	57 Å²	57	60 Å²	60	35%	0.35	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-73.7	153.5	172.4	61.4	0	0	0	0	110.7	S996 K1000 Q1001 C1002	S996-T998 PolarHBondContact O-N 3.48Å; T998-K1000 PolarHBondContact O-N 3.34Å; T998-K1000 VanDerWaalsContact O-N 3.09Å; T998-Q1001 WeakPolarHBondContact O-CB 3.39Å; T998-Q1001 PolarHBondContact O-N 3.03Å; T998-Q1001 VanDerWaalsContact OG1-CD 3.32Å; T998-Q1001 VanDerWaalsContact OG1-CG 3.32Å; T998-Q1001 WeakPolarHBondContact OG1-CG 3.2Å; T998-Q1001 PolarHBondContact OG1-N 2.86Å; T998-Q1001 PolarHBondContact OG1-OE1 2.94Å; T998-C1002 PolarHBondContact O-N 3.22Å
999	P	80.7	Confident	72.9	Confident	92 Å²	92	57.3 Å²	57.3	60%	0.597	31%	0.31	S	S	*	.	H	α-helix	trans	-54.4	-32.3	175.5	-28.1	35.7	0	0	0	113.6	T1003	P999-T1003 PolarHBondContact O-N 3.05Å; P999-T1003 PolarHBondContact O-OG1 2.84Å
1000	K	84.1	Confident	75.2	Confident	13 Å²	13	54.9 Å²	54.9	6%	0.057	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-47.2	173.4	-174.3	178.8	171.7	-170.3	0	111.8	V883 K884 V889 Q893 E897 T998 C1002 T1003 V1004	V883-K1000 HydrophobicContact CG1-CD 4.12Å; V883-K1000 HydrophobicContact CG1-CG 4.21Å; K884-K1000 PolarHBondContact O-NZ 2.93Å; V889-K1000 HydrophobicContact CG2-CG 4.36Å; Q893-K1000 VanDerWaalsContact NE2-NZ 3.19Å; E897-K1000 VanDerWaalsContact CD-NZ 3.26Å; E897-K1000 IonicContact OE1-NZ 2.86Å; E897-K1000 PolarHBondContact OE1-NZ 2.86Å; E897-K1000 WeakPolarHBondContact OE2-CE 3.5Å; E897-K1000 IonicContact OE2-NZ 3.3Å; E897-K1000 PolarHBondContact OE2-NZ 3.18Å; T998-K1000 PolarHBondContact O-N 3.34Å; T998-K1000 VanDerWaalsContact O-N 3.09Å; K1000-C1002 PolarHBondContact O-N 3.44Å; K1000-T1003 WeakPolarHBondContact O-CB 3.35Å; K1000-T1003 PolarHBondContact O-N 3.41Å; K1000-T1003 VanDerWaalsContact O-N 3.15Å; K1000-V1004 WeakPolarHBondContact O-CG2 3.44Å; K1000-V1004 PolarHBondContact O-N 3.06Å
1001	Q	88.2	Confident	77.8	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.075	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-40.5	176.2	-75.6	162.8	-45.9	0	0	112.3	L880 V883 L997 T998 T1003 V1004 L1005	L880-Q1001 HydrophobicContact CD1-CB 3.92Å; L880-Q1001 HydrophobicContact CD1-CG 3.96Å; L880-Q1001 HydrophobicContact CG-CB 4.22Å; L880-Q1001 HydrophobicContact CG-CG 4.09Å; L880-Q1001 PolarHBondContact O-NE2 2.9Å; V883-Q1001 HydrophobicContact CB-CG 4.05Å; V883-Q1001 HydrophobicContact CG1-CG 4.25Å; L997-Q1001 HydrophobicContact CD2-CB 4.27Å; T998-Q1001 WeakPolarHBondContact O-CB 3.39Å; T998-Q1001 PolarHBondContact O-N 3.03Å; T998-Q1001 VanDerWaalsContact OG1-CD 3.32Å; T998-Q1001 VanDerWaalsContact OG1-CG 3.32Å; T998-Q1001 WeakPolarHBondContact OG1-CG 3.2Å; T998-Q1001 PolarHBondContact OG1-N 2.86Å; T998-Q1001 PolarHBondContact OG1-OE1 2.94Å; Q1001-T1003 VanDerWaalsContact C-N 3.31Å; Q1001-T1003 PolarHBondContact O-N 3.02Å; Q1001-V1004 PolarHBondContact O-N 2.88Å; Q1001-L1005 PolarHBondContact O-N 3.09Å
1002	C	87.6	Confident	80.2	Confident	13 Å²	13	46.6 Å²	46.6	9%	0.088	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-42.5	172.8	-60.8	0	0	0	0	111.6	T998 K1000 L1005 D1006 L1041	T998-C1002 PolarHBondContact O-N 3.22Å; K1000-C1002 PolarHBondContact O-N 3.44Å; C1002-L1005 PolarHBondContact O-N 2.79Å; C1002-D1006 WeakPolarHBondContact O-CB 3.27Å; C1002-D1006 PolarHBondContact O-N 2.56Å; C1002-L1041 HydrophobicContact CB-CD2 4.42Å
1003	T	87.9	Confident	82.4	Confident	69 Å²	69	41.4 Å²	41.4	42%	0.423	23%	0.233	S	C	.	.	H	α-helix	trans	-64.9	-39.6	177.9	-51.2	0	0	0	0	112.3	V894 P999 K1000 Q1001 D1006 A1007	V894-T1003 HydrophobicContact CG1-CG2 4.04Å; V894-T1003 HydrophobicContact CG2-CG2 4.16Å; P999-T1003 PolarHBondContact O-N 3.05Å; P999-T1003 PolarHBondContact O-OG1 2.84Å; K1000-T1003 WeakPolarHBondContact O-CB 3.35Å; K1000-T1003 PolarHBondContact O-N 3.41Å; K1000-T1003 VanDerWaalsContact O-N 3.15Å; Q1001-T1003 VanDerWaalsContact C-N 3.31Å; Q1001-T1003 PolarHBondContact O-N 3.02Å; T1003-D1006 PolarHBondContact O-N 3.48Å; T1003-A1007 PolarHBondContact O-N 3.39Å
1004	V	91	Very high	84.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.6	-42	176.7	174.1	0	0	0	0	111.3	V883 V894 E897 A898 I901 K1000 Q1001 D1006 A1007 A1008	V883-V1004 HydrophobicContact CG1-CG2 4.3Å; V894-V1004 HydrophobicContact CG1-CG2 4.08Å; E897-V1004 HydrophobicContact CB-CG1 4.07Å; E897-V1004 HydrophobicContact CB-CG2 4.04Å; A898-V1004 HydrophobicContact CB-CG1 4.11Å; I901-V1004 HydrophobicContact CD1-CG1 3.8Å; I901-V1004 HydrophobicContact CG1-CG1 4.34Å; K1000-V1004 WeakPolarHBondContact O-CG2 3.44Å; K1000-V1004 PolarHBondContact O-N 3.06Å; Q1001-V1004 PolarHBondContact O-N 2.88Å; V1004-D1006 VanDerWaalsContact C-N 3.3Å; V1004-D1006 PolarHBondContact O-N 3.25Å; V1004-A1007 PolarHBondContact O-N 2.94Å; V1004-A1008 WeakPolarHBondContact O-CB 3.27Å; V1004-A1008 PolarHBondContact O-N 3.31Å
1005	L	91	Very high	86.4	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-39.5	171.6	-77.9	176.8	0	0	0	112	L876 L880 I901 M940 V944 V945 L997 Q1001 C1002 A1007 A1008 L1009 L1041	L876-L1005 HydrophobicContact CD2-CD2 4.33Å; L880-L1005 HydrophobicContact CD1-CD2 4.29Å; L880-L1005 HydrophobicContact CD1-CG 3.97Å; L880-L1005 HydrophobicContact CD2-CD1 3.63Å; L880-L1005 HydrophobicContact CD2-CD2 4Å; L880-L1005 HydrophobicContact CD2-CG 3.82Å; I901-L1005 HydrophobicContact CD1-CD2 4.05Å; M940-L1005 HydrophobicContact CE-CD2 4.49Å; V944-L1005 HydrophobicContact CG1-CD1 4.36Å; V944-L1005 HydrophobicContact CG1-CD2 4.06Å; V945-L1005 HydrophobicContact CG2-CD1 4.19Å; L997-L1005 HydrophobicContact CD1-CD1 4.1Å; Q1001-L1005 PolarHBondContact O-N 3.09Å; C1002-L1005 PolarHBondContact O-N 2.79Å; L1005-A1007 VanDerWaalsContact C-N 3.32Å; L1005-A1007 PolarHBondContact O-N 2.99Å; L1005-A1008 PolarHBondContact O-N 3.25Å; L1005-L1009 WeakPolarHBondContact O-CG 3.3Å; L1005-L1009 PolarHBondContact O-N 2.71Å; L1005-L1041 HydrophobicContact CB-CD1 4.41Å; L1005-L1041 HydrophobicContact CB-CD2 4.25Å; L1005-L1041 HydrophobicContact CD1-CD2 3.89Å
1006	D	89.9	Confident	88	Confident	62 Å²	62	35 Å²	35	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-62.2	-41.1	-179.3	-147.7	64	0	0	0	112.3	C1002 T1003 V1004 K1038	C1002-D1006 WeakPolarHBondContact O-CB 3.27Å; C1002-D1006 PolarHBondContact O-N 2.56Å; T1003-D1006 PolarHBondContact O-N 3.48Å; V1004-D1006 VanDerWaalsContact C-N 3.3Å; V1004-D1006 PolarHBondContact O-N 3.25Å; D1006-K1038 WeakPolarHBondContact OD1-CD 3.22Å; D1006-K1038 IonicContact OD1-NZ 3.75Å; D1006-K1038 PolarHBondContact OD1-NZ 3.33Å; D1006-K1038 IonicContact OD2-NZ 3.73Å; D1006-K1038 PolarHBondContact OD2-NZ 2.92Å
1007	A	90.9	Very high	89.2	Confident	28 Å²	28	33.9 Å²	33.9	23%	0.231	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-40.4	172.6	0	0	0	0	0	112.5	V894 A898 T1003 V1004 L1005 L1009 D1010 T1011	V894-A1007 HydrophobicContact CG1-CB 3.87Å; A898-A1007 HydrophobicContact CB-CB 3.99Å; T1003-A1007 PolarHBondContact O-N 3.39Å; V1004-A1007 PolarHBondContact O-N 2.94Å; L1005-A1007 VanDerWaalsContact C-N 3.32Å; L1005-A1007 PolarHBondContact O-N 2.99Å; A1007-L1009 VanDerWaalsContact C-N 3.29Å; A1007-L1009 PolarHBondContact O-N 2.96Å; A1007-D1010 PolarHBondContact O-N 3.31Å; A1007-D1010 VanDerWaalsContact O-N 3.11Å; A1007-T1011 PolarHBondContact O-N 3.15Å
1008	A	93.1	Very high	89.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-37.2	178.4	0	0	0	0	0	112.6	A898 I901 L902 V1004 L1005 D1010 T1011 I1012	A898-A1008 HydrophobicContact CB-CB 4.21Å; I901-A1008 HydrophobicContact CD1-CB 4.23Å; L902-A1008 HydrophobicContact CD1-CB 3.85Å; L902-A1008 HydrophobicContact CD2-CB 4.06Å; L902-A1008 HydrophobicContact CG-CB 3.82Å; V1004-A1008 WeakPolarHBondContact O-CB 3.27Å; V1004-A1008 PolarHBondContact O-N 3.31Å; L1005-A1008 PolarHBondContact O-N 3.25Å; A1008-D1010 VanDerWaalsContact C-N 3.31Å; A1008-D1010 PolarHBondContact O-N 2.95Å; A1008-T1011 PolarHBondContact O-N 3.33Å; A1008-I1012 WeakPolarHBondContact O-CG1 3.22Å; A1008-I1012 PolarHBondContact O-N 3.17Å
1009	L	92.9	Very high	90.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-34.3	175.2	-67.1	165.1	0	0	0	112.9	I937 M940 L1005 A1007 K1013 Y1034 L1037 K1038 L1041	I937-L1009 HydrophobicContact CD1-CD2 4.22Å; M940-L1009 HydrophobicContact CE-CD2 3.97Å; M940-L1009 HydrophobicContact SD-CD2 4.12Å; L1005-L1009 WeakPolarHBondContact O-CG 3.3Å; L1005-L1009 PolarHBondContact O-N 2.71Å; A1007-L1009 VanDerWaalsContact C-N 3.29Å; A1007-L1009 PolarHBondContact O-N 2.96Å; L1009-K1013 VanDerWaalsContact O-CB 3.22Å; L1009-K1013 WeakPolarHBondContact O-CB 3.32Å; L1009-K1013 PolarHBondContact O-N 3.21Å; L1009-Y1034 HydrophobicContact CB-CE2 4.33Å; L1009-L1037 HydrophobicContact CD1-CD2 3.5Å; L1009-L1037 HydrophobicContact CD2-CD1 3.96Å; L1009-L1037 HydrophobicContact CD2-CD2 4Å; L1009-L1037 HydrophobicContact CG-CD2 4.34Å; L1009-K1038 HydrophobicContact CD1-CD 4.18Å; L1009-L1041 HydrophobicContact CD1-CD1 3.77Å
1010	D	90.6	Very high	90.6	Very high	69 Å²	69	34.1 Å²	34.1	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-69.8	-33.8	176.3	-85.4	-23.3	0	0	0	112.2	A1007 A1008 K1013 S1014	A1007-D1010 PolarHBondContact O-N 3.31Å; A1007-D1010 VanDerWaalsContact O-N 3.11Å; A1008-D1010 VanDerWaalsContact C-N 3.31Å; A1008-D1010 PolarHBondContact O-N 2.95Å; D1010-K1013 WeakPolarHBondContact OD1-CE 3.35Å; D1010-K1013 IonicContact OD1-NZ 3.53Å; D1010-K1013 PolarHBondContact OD1-NZ 3.43Å; D1010-S1014 WeakPolarHBondContact O-CB 3.32Å; D1010-S1014 PolarHBondContact O-N 2.7Å; D1010-S1014 PolarHBondContact O-OG 3.05Å
1011	T	91.7	Very high	90.8	Very high	37 Å²	37	37.8 Å²	37.8	23%	0.227	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-51.2	171.6	-58.6	0	0	0	0	111	L902 A1007 A1008 K1013 S1014 Y1015	L902-T1011 HydrophobicContact CD1-CG2 3.72Å; A1007-T1011 PolarHBondContact O-N 3.15Å; A1008-T1011 PolarHBondContact O-N 3.33Å; T1011-K1013 VanDerWaalsContact C-N 3.32Å; T1011-K1013 PolarHBondContact O-N 3.02Å; T1011-S1014 WeakPolarHBondContact O-CA 3.35Å; T1011-S1014 WeakPolarHBondContact O-CB 3.45Å; T1011-S1014 PolarHBondContact O-N 3.09Å; T1011-Y1015 HydrophobicContact CG2-CD2 4.14Å; T1011-Y1015 HydrophobicContact CG2-CE2 4.05Å; T1011-Y1015 WeakPolarHBondContact O-CD2 3.34Å; T1011-Y1015 PolarHBondContact O-N 3.22Å
1012	I	93.3	Very high	90.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-45	177.7	-62.9	171	0	0	0	111	L902 L905 M906 W933 T936 M940 A1008 S1014 Y1015 F1016	L902-I1012 HydrophobicContact CD2-CD1 3.59Å; L902-I1012 HydrophobicContact CD2-CG1 3.61Å; L905-I1012 HydrophobicContact CD2-CD1 3.9Å; M906-I1012 HydrophobicContact SD-CG1 4.09Å; W933-I1012 HydrophobicContact CZ3-CG2 4.06Å; T936-I1012 HydrophobicContact CG2-CG2 4.38Å; M940-I1012 HydrophobicContact CE-CD1 3.77Å; M940-I1012 HydrophobicContact SD-CD1 3.24Å; M940-I1012 WeakPolarHBondContact SD-CD1 3.2Å; A1008-I1012 WeakPolarHBondContact O-CG1 3.22Å; A1008-I1012 PolarHBondContact O-N 3.17Å; I1012-S1014 PolarHBondContact O-N 3.14Å; I1012-Y1015 PolarHBondContact O-N 3.45Å; I1012-F1016 HydrophobicContact CG2-CD2 3.81Å; I1012-F1016 HydrophobicContact CG2-CE2 3.92Å; I1012-F1016 PolarHBondContact O-N 2.94Å
1013	K	93.1	Very high	91.2	Very high	24 Å²	24	37.1 Å²	37.1	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-56.7	-37.5	174.7	-179.4	174.8	59	-173.6	0	112.2	W933 L1009 D1010 T1011 H1017 L1028 E1029 Y1034	W933-K1013 HydrophobicContact CH2-CB 4.12Å; W933-K1013 HydrophobicContact CH2-CG 4.46Å; W933-K1013 HydrophobicContact CZ3-CB 4.34Å; L1009-K1013 VanDerWaalsContact O-CB 3.22Å; L1009-K1013 WeakPolarHBondContact O-CB 3.32Å; L1009-K1013 PolarHBondContact O-N 3.21Å; D1010-K1013 WeakPolarHBondContact OD1-CE 3.35Å; D1010-K1013 IonicContact OD1-NZ 3.53Å; D1010-K1013 PolarHBondContact OD1-NZ 3.43Å; T1011-K1013 VanDerWaalsContact C-N 3.32Å; T1011-K1013 PolarHBondContact O-N 3.02Å; K1013-H1017 VanDerWaalsContact O-CB 3.29Å; K1013-H1017 WeakPolarHBondContact O-CB 3.3Å; K1013-H1017 PolarHBondContact O-N 2.74Å; K1013-H1017 VanDerWaalsContact O-N 3.11Å; K1013-L1028 HydrophobicContact CD-CB 4.41Å; K1013-L1028 HydrophobicContact CG-CB 4.06Å; K1013-L1028 HydrophobicContact CG-CD1 3.77Å; K1013-L1028 WeakPolarHBondContact O-CD1 3.29Å; K1013-E1029 HydrophobicContact CD-CG 4.03Å; K1013-E1029 IonicContact NZ-OE1 3.7Å; K1013-Y1034 PolarHBondContact NZ-OH 3Å
1014	S	91	Very high	91.5	Very high	60 Å²	60	41.2 Å²	41.2	42%	0.42	26%	0.258	S	S	.	.	H	α-helix	trans	-70.5	-37.7	178.2	-61.1	0	0	0	0	112.4	D1010 T1011 I1012 H1017 A1018	D1010-S1014 WeakPolarHBondContact O-CB 3.32Å; D1010-S1014 PolarHBondContact O-N 2.7Å; D1010-S1014 PolarHBondContact O-OG 3.05Å; T1011-S1014 WeakPolarHBondContact O-CA 3.35Å; T1011-S1014 WeakPolarHBondContact O-CB 3.45Å; T1011-S1014 PolarHBondContact O-N 3.09Å; I1012-S1014 PolarHBondContact O-N 3.14Å; S1014-H1017 WeakPolarHBondContact O-CB 3.34Å; S1014-H1017 PolarHBondContact O-N 3.37Å; S1014-A1018 PolarHBondContact O-N 2.95Å
1015	Y	90.5	Very high	91.5	Very high	106 Å²	106	46 Å²	46	42%	0.416	28%	0.279	S	S	.	.	H	α-helix	trans	-66.4	-48.5	174	-89.8	-104.1	0	0	0	112.6	M906 T1011 I1012 H1017 A1018	M906-Y1015 HydrophobicContact CE-CD1 3.31Å; M906-Y1015 HydrophobicContact CE-CD2 3.38Å; M906-Y1015 HydrophobicContact CE-CE1 3.53Å; M906-Y1015 HydrophobicContact CE-CE2 3.6Å; M906-Y1015 HydrophobicContact CE-CG 3.21Å; T1011-Y1015 HydrophobicContact CG2-CD2 4.14Å; T1011-Y1015 HydrophobicContact CG2-CE2 4.05Å; T1011-Y1015 WeakPolarHBondContact O-CD2 3.34Å; T1011-Y1015 PolarHBondContact O-N 3.22Å; I1012-Y1015 PolarHBondContact O-N 3.45Å; Y1015-H1017 PolarHBondContact O-N 3.35Å; Y1015-A1018 PolarHBondContact O-N 3.33Å
1016	F	94.1	Very high	91.6	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-21.1	175.4	-85	-90.6	0	0	0	113.4	L909 L913 L929 L932 W933 I1012 L1023 L1028	L909-F1016 HydrophobicContact CD1-CE2 3.94Å; L909-F1016 HydrophobicContact CD2-CE2 4.37Å; L909-F1016 HydrophobicContact CD2-CZ 4.17Å; L913-F1016 HydrophobicContact CD1-CD1 4.5Å; L913-F1016 HydrophobicContact CD1-CE1 4.36Å; L913-F1016 HydrophobicContact CD1-CZ 4.39Å; L929-F1016 HydrophobicContact CD2-CD1 4.18Å; L929-F1016 HydrophobicContact CD2-CE1 4.35Å; L929-F1016 WeakPolarHBondContact O-CE1 3.47Å; L932-F1016 HydrophobicContact CB-CE1 3.95Å; L932-F1016 HydrophobicContact CB-CZ 4.24Å; W933-F1016 HydrophobicContact CB-CD1 3.87Å; W933-F1016 HydrophobicContact CB-CE1 3.83Å; W933-F1016 HydrophobicContact CB-CG 4.47Å; W933-F1016 HydrophobicContact CB-CZ 4.38Å; W933-F1016 HydrophobicContact CE3-CB 3.95Å; W933-F1016 HydrophobicContact CE3-CD1 4.29Å; W933-F1016 AromaticContact CE3-CD2 3.71Å; W933-F1016 HydrophobicContact CE3-CD2 3.71Å; W933-F1016 HydrophobicContact CE3-CE2 4.24Å; W933-F1016 AromaticContact CE3-CG 3.72Å; W933-F1016 HydrophobicContact CE3-CG 3.72Å; W933-F1016 HydrophobicContact CZ3-CB 4.35Å; W933-F1016 HydrophobicContact CZ3-CD2 4.22Å; W933-F1016 HydrophobicContact CZ3-CG 4.42Å; I1012-F1016 HydrophobicContact CG2-CD2 3.81Å; I1012-F1016 HydrophobicContact CG2-CE2 3.92Å; I1012-F1016 PolarHBondContact O-N 2.94Å; F1016-L1023 HydrophobicContact CD1-CD1 4.29Å; F1016-L1023 PolarHBondContact O-N 3.22Å; F1016-L1028 HydrophobicContact CB-CD1 4.31Å; F1016-L1028 HydrophobicContact CB-CD2 4.2Å
1017	H	94.1	Very high	91.8	Very high	38 Å²	38	50.3 Å²	50.3	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-78	-35	171.1	-179.8	49.1	0	0	0	113.2	K1013 S1014 Y1015 G1019 G1020 G1022 L1023 K1025 L1028	K1013-H1017 VanDerWaalsContact O-CB 3.29Å; K1013-H1017 WeakPolarHBondContact O-CB 3.3Å; K1013-H1017 PolarHBondContact O-N 2.74Å; K1013-H1017 VanDerWaalsContact O-N 3.11Å; S1014-H1017 WeakPolarHBondContact O-CB 3.34Å; S1014-H1017 PolarHBondContact O-N 3.37Å; Y1015-H1017 PolarHBondContact O-N 3.35Å; H1017-G1019 VanDerWaalsContact C-N 3.31Å; H1017-G1019 PolarHBondContact O-N 2.75Å; H1017-G1020 PolarHBondContact CE1-N 3.17Å; H1017-G1020 PolarHBondContact O-N 3.25Å; H1017-G1022 PolarHBondContact O-N 3.41Å; H1017-G1022 VanDerWaalsContact O-N 3.12Å; H1017-L1023 WeakPolarHBondContact CA-O 3.32Å; H1017-L1023 PolarHBondContact ND1-O 2.92Å; H1017-K1025 HydrophobicContact CB-CG 4.43Å; H1017-K1025 WeakPolarHBondContact CD2-CE 3.45Å; H1017-K1025 WeakPolarHBondContact NE2-CE 3.48Å; H1017-L1028 HydrophobicContact CB-CD1 4.23Å
1018	A	91.3	Very high	92	Very high	53 Å²	53	49 Å²	49	44%	0.438	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	46.4	48.6	177.4	0	0	0	0	0	113.7	S1014 Y1015 G1020 S1021	S1014-A1018 PolarHBondContact O-N 2.95Å; Y1015-A1018 PolarHBondContact O-N 3.33Å; A1018-G1020 PolarHBondContact O-N 2.84Å; A1018-S1021 WeakPolarHBondContact O-CB 3.38Å; A1018-S1021 PolarHBondContact O-N 2.78Å; A1018-S1021 PolarHBondContact O-OG 3.1Å
1019	G	88.7	Confident	91.9	Very high	77 Å²	77	52.9 Å²	52.9	79%	0.794	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	61.9	14.9	-179.5	0	0	0	0	0	115.6	H1017	H1017-G1019 VanDerWaalsContact C-N 3.31Å; H1017-G1019 PolarHBondContact O-N 2.75Å
1020	G	87.6	Confident	91.9	Very high	47 Å²	47	62.2 Å²	62.2	49%	0.485	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	106	-8.8	-174.1	0	0	0	0	0	114.7	H1017 A1018	H1017-G1020 PolarHBondContact CE1-N 3.17Å; H1017-G1020 PolarHBondContact O-N 3.25Å; A1018-G1020 PolarHBondContact O-N 2.84Å
1021	S	87.8	Confident	92	Very high	91 Å²	91	59.3 Å²	59.3	64%	0.636	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-30.3	175.2	-57.9	0	0	0	0	112.6	A1018	A1018-S1021 WeakPolarHBondContact O-CB 3.38Å; A1018-S1021 PolarHBondContact O-N 2.78Å; A1018-S1021 PolarHBondContact O-OG 3.1Å
1022	G	90.4	Very high	91.9	Very high	5 Å²	5	60.8 Å²	60.8	5%	0.052	35%	0.345	C	S	.	.	S	Bend	trans	-92.6	-125.2	-179.2	0	0	0	0	0	113.7	H1017	H1017-G1022 PolarHBondContact O-N 3.41Å; H1017-G1022 VanDerWaalsContact O-N 3.12Å
1023	L	94	Very high	91.7	Very high	9 Å²	9	63.2 Å²	63.2	5%	0.047	36%	0.356	C	S	.	.			trans	-85.4	155.2	179.7	-61.4	178.4	0	0	0	111.9	L929 K930 W933 F1016 H1017 F1027 L1028	L929-L1023 HydrophobicContact CB-CD1 3.99Å; L929-L1023 HydrophobicContact CB-CD2 3.92Å; L929-L1023 HydrophobicContact CB-CG 3.83Å; L929-L1023 HydrophobicContact CD1-CG 4.47Å; K930-L1023 HydrophobicContact CG-CD1 4.43Å; K930-L1023 HydrophobicContact CG-CD2 3.74Å; W933-L1023 HydrophobicContact CB-CD1 4.19Å; F1016-L1023 HydrophobicContact CD1-CD1 4.29Å; F1016-L1023 PolarHBondContact O-N 3.22Å; H1017-L1023 WeakPolarHBondContact CA-O 3.32Å; H1017-L1023 PolarHBondContact ND1-O 2.92Å; L1023-F1027 HydrophobicContact CB-CD1 4.42Å; L1023-F1027 HydrophobicContact CD1-CD1 4.12Å; L1023-F1027 HydrophobicContact CD1-CE1 4.05Å; L1023-L1028 HydrophobicContact CB-CD1 4.38Å; L1023-L1028 HydrophobicContact CB-CD2 3.91Å; L1023-L1028 HydrophobicContact CB-CG 4.19Å; L1023-L1028 HydrophobicContact CD1-CD2 3.62Å; L1023-L1028 HydrophobicContact CG-CD2 4.42Å
1024	K	93.9	Very high	91.7	Very high	155 Å²	155	63.1 Å²	63.1	67%	0.674	36%	0.356	S	S	*	.			trans	-75.3	136.7	173.6	-67.8	-173.5	176.5	-175.1	0	109.5	T1026 F1027 L1028	K1024-T1026 PolarHBondContact O-N 3.3Å; K1024-F1027 HydrophobicContact CB-CB 4.46Å; K1024-F1027 WeakPolarHBondContact O-CB 3.44Å; K1024-F1027 PolarHBondContact O-N 3.06Å; K1024-L1028 PolarHBondContact O-N 3.48Å
1025	K	92.5	Very high	91.7	Very high	101 Å²	101	65.3 Å²	65.3	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-50.8	-42.8	175.1	-65.5	-169.6	178.3	-172.4	0	112.6	H1017 F1027 L1028 E1029	H1017-K1025 HydrophobicContact CB-CG 4.43Å; H1017-K1025 WeakPolarHBondContact CD2-CE 3.45Å; H1017-K1025 WeakPolarHBondContact NE2-CE 3.48Å; K1025-F1027 PolarHBondContact O-N 3.16Å; K1025-L1028 WeakPolarHBondContact O-CB 3.33Å; K1025-L1028 PolarHBondContact O-N 3.3Å; K1025-E1029 WeakPolarHBondContact O-CG 3.22Å; K1025-E1029 PolarHBondContact O-N 3.39Å
1026	T	93	Very high	91.5	Very high	83 Å²	83	62.1 Å²	62.1	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-20.3	177	54.8	0	0	0	0	115.2	K1024 R1030	K1024-T1026 PolarHBondContact O-N 3.3Å; T1026-R1030 WeakPolarHBondContact O-CB 3.46Å; T1026-R1030 WeakPolarHBondContact O-CD 3.4Å; T1026-R1030 VanDerWaalsContact O-CG 3.26Å; T1026-R1030 WeakPolarHBondContact O-CG 3.38Å
1027	F	93.8	Very high	91.3	Very high	72 Å²	72	62.2 Å²	62.2	32%	0.316	35%	0.353	S	S	.	.	H	α-helix	trans	-80.4	-43.1	170.3	170.3	-92.6	0	0	0	110.7	K930 L1023 K1024 K1025 R1030 S1031	K930-F1027 HydrophobicContact CB-CE1 4.31Å; K930-F1027 HydrophobicContact CB-CZ 4.15Å; K930-F1027 HydrophobicContact CD-CE1 4.32Å; K930-F1027 HydrophobicContact CD-CE2 4.05Å; K930-F1027 HydrophobicContact CD-CZ 3.74Å; K930-F1027 HydrophobicContact CG-CE1 3.7Å; K930-F1027 HydrophobicContact CG-CE2 4.33Å; K930-F1027 HydrophobicContact CG-CZ 3.59Å; L1023-F1027 HydrophobicContact CB-CD1 4.42Å; L1023-F1027 HydrophobicContact CD1-CD1 4.12Å; L1023-F1027 HydrophobicContact CD1-CE1 4.05Å; K1024-F1027 HydrophobicContact CB-CB 4.46Å; K1024-F1027 WeakPolarHBondContact O-CB 3.44Å; K1024-F1027 PolarHBondContact O-N 3.06Å; K1025-F1027 PolarHBondContact O-N 3.16Å; F1027-R1030 PolarHBondContact O-N 3Å; F1027-S1031 PolarHBondContact O-N 3.41Å; F1027-S1031 VanDerWaalsContact O-N 3.08Å
1028	L	94.2	Very high	91.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-48.8	-179.9	-57.5	172	0	0	0	110.9	W933 K1013 F1016 H1017 L1023 K1024 K1025 R1030 S1031	W933-L1028 HydrophobicContact CD2-CD2 3.47Å; W933-L1028 VanDerWaalsContact CD2-CD2 3.47Å; W933-L1028 HydrophobicContact CE3-CD2 3.68Å; W933-L1028 HydrophobicContact CG-CD2 3.94Å; W933-L1028 HydrophobicContact CH2-CB 4.03Å; W933-L1028 HydrophobicContact CH2-CD2 4.09Å; W933-L1028 HydrophobicContact CZ2-CB 3.8Å; W933-L1028 HydrophobicContact CZ2-CD2 3.9Å; W933-L1028 HydrophobicContact CZ2-CG 4.44Å; W933-L1028 HydrophobicContact CZ3-CD2 3.98Å; K1013-L1028 HydrophobicContact CD-CB 4.41Å; K1013-L1028 HydrophobicContact CG-CB 4.06Å; K1013-L1028 HydrophobicContact CG-CD1 3.77Å; K1013-L1028 WeakPolarHBondContact O-CD1 3.29Å; F1016-L1028 HydrophobicContact CB-CD1 4.31Å; F1016-L1028 HydrophobicContact CB-CD2 4.2Å; H1017-L1028 HydrophobicContact CB-CD1 4.23Å; L1023-L1028 HydrophobicContact CB-CD1 4.38Å; L1023-L1028 HydrophobicContact CB-CD2 3.91Å; L1023-L1028 HydrophobicContact CB-CG 4.19Å; L1023-L1028 HydrophobicContact CD1-CD2 3.62Å; L1023-L1028 HydrophobicContact CG-CD2 4.42Å; K1024-L1028 PolarHBondContact O-N 3.48Å; K1025-L1028 WeakPolarHBondContact O-CB 3.33Å; K1025-L1028 PolarHBondContact O-N 3.3Å; L1028-R1030 PolarHBondContact O-N 2.88Å; L1028-S1031 WeakPolarHBondContact O-CB 3.26Å; L1028-S1031 PolarHBondContact O-N 2.88Å; L1028-S1031 PolarHBondContact O-OG 3.18Å
1029	E	91.7	Very high	90.8	Very high	82 Å²	82	64.1 Å²	64.1	38%	0.383	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-20.8	-179.1	-68.6	162.5	172.6	0	0	114.2	K1013 K1025	K1013-E1029 HydrophobicContact CD-CG 4.03Å; K1013-E1029 IonicContact NZ-OE1 3.7Å; K1025-E1029 WeakPolarHBondContact O-CG 3.22Å; K1025-E1029 PolarHBondContact O-N 3.39Å
1030	R	92.8	Very high	90.6	Very high	197 Å²	197	60.5 Å²	60.5	74%	0.743	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	3.1	178.1	-65	-177.8	179.2	-166.7	-1.7	113.4	T1026 F1027 L1028	T1026-R1030 WeakPolarHBondContact O-CB 3.46Å; T1026-R1030 WeakPolarHBondContact O-CD 3.4Å; T1026-R1030 VanDerWaalsContact O-CG 3.26Å; T1026-R1030 WeakPolarHBondContact O-CG 3.38Å; F1027-R1030 PolarHBondContact O-N 3Å; L1028-R1030 PolarHBondContact O-N 2.88Å
1031	S	92.6	Very high	90.5	Very high	8 Å²	8	58.8 Å²	58.8	6%	0.056	29%	0.291	C	S	.	.			trans	-69.8	136.2	176.3	63	0	0	0	0	110.1	W933 F1027 L1028 E1033 Y1034 Q1035	W933-S1031 PolarHBondContact NE1-OG 3.19Å; F1027-S1031 PolarHBondContact O-N 3.41Å; F1027-S1031 VanDerWaalsContact O-N 3.08Å; L1028-S1031 WeakPolarHBondContact O-CB 3.26Å; L1028-S1031 PolarHBondContact O-N 2.88Å; L1028-S1031 PolarHBondContact O-OG 3.18Å; S1031-E1033 PolarHBondContact O-N 3.47Å; S1031-Y1034 PolarHBondContact O-N 3.24Å; S1031-Y1034 WeakPolarHBondContact OG-CB 3.18Å; S1031-Q1035 WeakPolarHBondContact O-CG 3.43Å; S1031-Q1035 PolarHBondContact O-N 3.39Å
1032	A	90.1	Very high	90.4	Very high	67 Å²	67	57 Å²	57	55%	0.554	28%	0.279	S	S	*	.	H	α-helix	trans	-62	-36.6	-174.3	0	0	0	0	0	111.3	Y1034 Q1035 S1036	A1032-Y1034 PolarHBondContact O-N 3.14Å; A1032-Q1035 PolarHBondContact O-N 3.44Å; A1032-S1036 VanDerWaalsContact O-CB 3.32Å; A1032-S1036 WeakPolarHBondContact O-CB 3.42Å; A1032-S1036 PolarHBondContact O-N 3.49Å
1033	E	88.8	Confident	90.1	Very high	51 Å²	51	56.8 Å²	56.8	24%	0.238	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-41.9	178.7	-55.2	73.6	-164.3	0	0	111.2	R934 I937 S1031 L1037	R934-E1033 HydrophobicContact CG-CG 3.86Å; R934-E1033 WeakPolarHBondContact CG-OE1 3.41Å; I937-E1033 HydrophobicContact CB-CB 4.09Å; I937-E1033 VanDerWaalsContact CG2-C 3.44Å; I937-E1033 HydrophobicContact CG2-CB 3.72Å; I937-E1033 WeakPolarHBondContact CG2-O 3.29Å; S1031-E1033 PolarHBondContact O-N 3.47Å; E1033-L1037 WeakPolarHBondContact O-CB 3.47Å; E1033-L1037 PolarHBondContact O-N 2.96Å
1034	Y	92.5	Very high	89.5	Confident	22 Å²	22	57.5 Å²	57.5	9%	0.086	28%	0.279	C	S	.	.	H	α-helix	trans	-71.5	-37.5	178.5	178.8	-93.2	0	0	0	111.8	W933 L1009 K1013 S1031 A1032 K1038	W933-Y1034 AromaticContact CH2-CD2 3.93Å; W933-Y1034 HydrophobicContact CH2-CD2 3.93Å; W933-Y1034 HydrophobicContact CH2-CE2 4.43Å; W933-Y1034 AromaticContact CZ2-CD2 3.81Å; W933-Y1034 HydrophobicContact CZ2-CD2 3.81Å; W933-Y1034 HydrophobicContact CZ2-CG 4.13Å; L1009-Y1034 HydrophobicContact CB-CE2 4.33Å; K1013-Y1034 PolarHBondContact NZ-OH 3Å; S1031-Y1034 PolarHBondContact O-N 3.24Å; S1031-Y1034 WeakPolarHBondContact OG-CB 3.18Å; A1032-Y1034 PolarHBondContact O-N 3.14Å; Y1034-K1038 HydrophobicContact CD1-CG 4.3Å; Y1034-K1038 HydrophobicContact CE1-CG 4Å; Y1034-K1038 WeakPolarHBondContact O-CB 3.25Å; Y1034-K1038 WeakPolarHBondContact O-CG 3.21Å; Y1034-K1038 PolarHBondContact O-N 3.35Å; Y1034-K1038 VanDerWaalsContact OH-CE 3.24Å; Y1034-K1038 WeakPolarHBondContact OH-CE 3.34Å
1035	Q	91.2	Very high	88.8	Confident	107 Å²	107	54.9 Å²	54.9	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-66.9	-43.2	174.8	-69.4	-175.6	-14.1	0	0	111.6	S1031 A1032 K1038 Y1039	S1031-Q1035 WeakPolarHBondContact O-CG 3.43Å; S1031-Q1035 PolarHBondContact O-N 3.39Å; A1032-Q1035 PolarHBondContact O-N 3.44Å; Q1035-K1038 PolarHBondContact O-N 3.33Å; Q1035-Y1039 WeakPolarHBondContact O-CB 3.41Å; Q1035-Y1039 PolarHBondContact O-N 3.32Å
1036	S	87.3	Confident	88.4	Confident	39 Å²	39	52.8 Å²	52.8	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-60.8	-47.9	175.5	-169.1	0	0	0	0	111.6	E941 A1032 Y1039 A1040	E941-S1036 WeakPolarHBondContact OE1-CB 3.32Å; E941-S1036 PolarHBondContact OE1-OG 2.95Å; A1032-S1036 VanDerWaalsContact O-CB 3.32Å; A1032-S1036 WeakPolarHBondContact O-CB 3.42Å; A1032-S1036 PolarHBondContact O-N 3.49Å; S1036-Y1039 WeakPolarHBondContact O-CB 3.26Å; S1036-Y1039 PolarHBondContact O-N 3.09Å; S1036-A1040 WeakPolarHBondContact O-CB 3.38Å; S1036-A1040 PolarHBondContact O-N 2.88Å
1037	L	89.2	Confident	88.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-46.9	177.5	-166.5	167.7	0	0	0	112	I937 M940 E941 V945 L1009 E1033 Y1039 A1040 L1041	I937-L1037 HydrophobicContact CG2-CB 4.24Å; I937-L1037 HydrophobicContact CG2-CD1 3.81Å; M940-L1037 HydrophobicContact CB-CD1 3.76Å; E941-L1037 HydrophobicContact CB-CB 4.15Å; E941-L1037 HydrophobicContact CB-CD1 4Å; E941-L1037 HydrophobicContact CB-CG 3.99Å; E941-L1037 HydrophobicContact CG-CB 4.36Å; E941-L1037 HydrophobicContact CG-CG 4.48Å; V945-L1037 HydrophobicContact CG2-CD2 3.95Å; V945-L1037 HydrophobicContact CG2-CG 4.07Å; L1009-L1037 HydrophobicContact CD1-CD2 3.5Å; L1009-L1037 HydrophobicContact CD2-CD1 3.96Å; L1009-L1037 HydrophobicContact CD2-CD2 4Å; L1009-L1037 HydrophobicContact CG-CD2 4.34Å; E1033-L1037 WeakPolarHBondContact O-CB 3.47Å; E1033-L1037 PolarHBondContact O-N 2.96Å; L1037-Y1039 VanDerWaalsContact C-N 3.3Å; L1037-Y1039 PolarHBondContact O-N 3.28Å; L1037-A1040 PolarHBondContact O-N 3.43Å; L1037-L1041 HydrophobicContact CD2-CD1 3.61Å; L1037-L1041 HydrophobicContact CD2-CG 4.05Å; L1037-L1041 PolarHBondContact O-N 2.67Å
1038	K	89.9	Confident	88	Confident	47 Å²	47	50.1 Å²	50.1	20%	0.204	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-37.2	175.4	-75.8	-75.6	-171.8	178.2	0	112	D1006 L1009 Y1034 Q1035 S1042	D1006-K1038 WeakPolarHBondContact OD1-CD 3.22Å; D1006-K1038 IonicContact OD1-NZ 3.75Å; D1006-K1038 PolarHBondContact OD1-NZ 3.33Å; D1006-K1038 IonicContact OD2-NZ 3.73Å; D1006-K1038 PolarHBondContact OD2-NZ 2.92Å; L1009-K1038 HydrophobicContact CD1-CD 4.18Å; Y1034-K1038 HydrophobicContact CD1-CG 4.3Å; Y1034-K1038 HydrophobicContact CE1-CG 4Å; Y1034-K1038 WeakPolarHBondContact O-CB 3.25Å; Y1034-K1038 WeakPolarHBondContact O-CG 3.21Å; Y1034-K1038 PolarHBondContact O-N 3.35Å; Y1034-K1038 VanDerWaalsContact OH-CE 3.24Å; Y1034-K1038 WeakPolarHBondContact OH-CE 3.34Å; Q1035-K1038 PolarHBondContact O-N 3.33Å; K1038-S1042 PolarHBondContact O-N 2.95Å
1039	Y	85.8	Confident	87.8	Confident	85 Å²	85	52.4 Å²	52.4	33%	0.333	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-49.5	174.2	177.1	-110.3	0	0	0	111	Q1035 S1036 L1037 L1041 S1042 L1043 T1208	Q1035-Y1039 WeakPolarHBondContact O-CB 3.41Å; Q1035-Y1039 PolarHBondContact O-N 3.32Å; S1036-Y1039 WeakPolarHBondContact O-CB 3.26Å; S1036-Y1039 PolarHBondContact O-N 3.09Å; L1037-Y1039 VanDerWaalsContact C-N 3.3Å; L1037-Y1039 PolarHBondContact O-N 3.28Å; Y1039-L1041 VanDerWaalsContact C-N 3.31Å; Y1039-L1041 PolarHBondContact O-N 2.9Å; Y1039-S1042 PolarHBondContact O-N 3.48Å; Y1039-S1042 PolarHBondContact O-OG 3.39Å; Y1039-L1043 HydrophobicContact CD1-CD1 4.19Å; Y1039-L1043 HydrophobicContact CE1-CD1 3.74Å; Y1039-L1043 HydrophobicContact CE1-CD2 4.44Å; Y1039-L1043 HydrophobicContact CE1-CG 4.28Å; Y1039-L1043 HydrophobicContact CE2-CD2 4.27Å; Y1039-L1043 PolarHBondContact O-N 3.28Å; Y1039-T1208 HydrophobicContact CE1-CG2 3.89Å
1040	A	83.1	Confident	87.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-55.7	-42	176.5	0	0	0	0	0	112.6	V945 L946 S1036 L1037 S1042 L1043 Y1044 I1211	V945-A1040 HydrophobicContact CG1-CB 3.87Å; L946-A1040 HydrophobicContact CD2-CB 4.16Å; S1036-A1040 WeakPolarHBondContact O-CB 3.38Å; S1036-A1040 PolarHBondContact O-N 2.88Å; L1037-A1040 PolarHBondContact O-N 3.43Å; A1040-S1042 VanDerWaalsContact C-N 3.31Å; A1040-S1042 PolarHBondContact O-N 2.88Å; A1040-L1043 PolarHBondContact O-N 3.44Å; A1040-Y1044 WeakPolarHBondContact O-CD2 3.4Å; A1040-I1211 HydrophobicContact CB-CG2 4.42Å
1041	L	85.4	Confident	87.6	Confident	11 Å²	11	43 Å²	43	6%	0.058	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-35	173.9	-77	174	0	0	0	113.3	V945 C1002 L1005 L1009 L1037 Y1039 Y1044	V945-L1041 HydrophobicContact CG1-CD2 3.99Å; V945-L1041 HydrophobicContact CG1-CG 4.15Å; V945-L1041 HydrophobicContact CG2-CD2 4.07Å; V945-L1041 HydrophobicContact CG2-CG 4.3Å; C1002-L1041 HydrophobicContact CB-CD2 4.42Å; L1005-L1041 HydrophobicContact CB-CD1 4.41Å; L1005-L1041 HydrophobicContact CB-CD2 4.25Å; L1005-L1041 HydrophobicContact CD1-CD2 3.89Å; L1009-L1041 HydrophobicContact CD1-CD1 3.77Å; L1037-L1041 HydrophobicContact CD2-CD1 3.61Å; L1037-L1041 HydrophobicContact CD2-CG 4.05Å; L1037-L1041 PolarHBondContact O-N 2.67Å; Y1039-L1041 VanDerWaalsContact C-N 3.31Å; Y1039-L1041 PolarHBondContact O-N 2.9Å; L1041-Y1044 PolarHBondContact O-N 3.26Å
1042	S	85.7	Confident	87.6	Confident	55 Å²	55	42.7 Å²	42.7	39%	0.385	23%	0.232	S	C	.	.	H	α-helix	trans	-75.7	-21.7	-179.9	75.1	0	0	0	0	113.9	K1038 Y1039 A1040 Y1044 T1045	K1038-S1042 PolarHBondContact O-N 2.95Å; Y1039-S1042 PolarHBondContact O-N 3.48Å; Y1039-S1042 PolarHBondContact O-OG 3.39Å; A1040-S1042 VanDerWaalsContact C-N 3.31Å; A1040-S1042 PolarHBondContact O-N 2.88Å; S1042-Y1044 VanDerWaalsContact C-N 3.34Å; S1042-T1045 PolarHBondContact O-OG1 3.45Å
1043	L	84.4	Confident	87.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.9	-28.6	174.6	-66.1	175.9	0	0	0	112.5	Y1039 A1040 T1045 Q1046 L1051 I1211 L1212 I1215	Y1039-L1043 HydrophobicContact CD1-CD1 4.19Å; Y1039-L1043 HydrophobicContact CE1-CD1 3.74Å; Y1039-L1043 HydrophobicContact CE1-CD2 4.44Å; Y1039-L1043 HydrophobicContact CE1-CG 4.28Å; Y1039-L1043 HydrophobicContact CE2-CD2 4.27Å; Y1039-L1043 PolarHBondContact O-N 3.28Å; A1040-L1043 PolarHBondContact O-N 3.44Å; L1043-T1045 PolarHBondContact O-N 2.92Å; L1043-T1045 VanDerWaalsContact O-N 3.15Å; L1043-Q1046 PolarHBondContact O-N 2.99Å; L1043-Q1046 VanDerWaalsContact O-N 3.17Å; L1043-L1051 HydrophobicContact CB-CD2 4.14Å; L1043-L1051 HydrophobicContact CD2-CD2 4.06Å; L1043-I1211 HydrophobicContact CD1-CG2 3.73Å; L1043-L1212 HydrophobicContact CD1-CD2 3.82Å; L1043-L1212 HydrophobicContact CD1-CG 4.38Å; L1043-L1212 HydrophobicContact CD2-CD2 3.87Å; L1043-L1212 HydrophobicContact CG-CD2 4.42Å; L1043-I1215 HydrophobicContact CB-CD1 3.44Å; L1043-I1215 VanDerWaalsContact CB-CD1 3.44Å; L1043-I1215 HydrophobicContact CD1-CD1 3.79Å; L1043-I1215 HydrophobicContact CG-CD1 4.27Å
1044	Y	81.7	Confident	87.7	Confident	23 Å²	23	40.6 Å²	40.6	9%	0.09	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.4	178.9	-87.9	-79.6	0	0	0	114.2	V945 P947 L997 A1040 L1041 S1042 I1215 Q1218	V945-Y1044 HydrophobicContact CG1-CE2 4.13Å; V945-Y1044 WeakPolarHBondContact O-CE2 3.49Å; V945-Y1044 PolarHBondContact O-OH 3.49Å; P947-Y1044 WeakPolarHBondContact CD-OH 3.15Å; L997-Y1044 HydrophobicContact CB-CD1 3.87Å; L997-Y1044 HydrophobicContact CB-CE1 4.05Å; L997-Y1044 HydrophobicContact CB-CG 4.26Å; L997-Y1044 HydrophobicContact CD1-CD2 4.22Å; L997-Y1044 HydrophobicContact CD1-CE1 4.47Å; L997-Y1044 HydrophobicContact CD1-CE2 4.03Å; L997-Y1044 HydrophobicContact CG-CE1 4.28Å; A1040-Y1044 WeakPolarHBondContact O-CD2 3.4Å; L1041-Y1044 PolarHBondContact O-N 3.26Å; S1042-Y1044 VanDerWaalsContact C-N 3.34Å; Y1044-I1215 HydrophobicContact CD1-CG2 4.4Å; Y1044-I1215 HydrophobicContact CD2-CD1 4.17Å; Y1044-I1215 HydrophobicContact CE1-CG2 4.22Å; Y1044-I1215 HydrophobicContact CE2-CD1 3.87Å; Y1044-I1215 HydrophobicContact CE2-CG1 3.86Å; Y1044-Q1218 VanDerWaalsContact CE1-OE1 3.22Å; Y1044-Q1218 PolarHBondContact OH-OE1 3.02Å
1045	T	79.8	Confident	87.7	Confident	101 Å²	101	39.6 Å²	39.6	62%	0.62	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	0.2	179.5	47.9	0	0	0	0	114.9	S1042 L1043	S1042-T1045 PolarHBondContact O-OG1 3.45Å; L1043-T1045 PolarHBondContact O-N 2.92Å; L1043-T1045 VanDerWaalsContact O-N 3.15Å
1046	Q	84.5	Confident	87.7	Confident	57 Å²	57	34.5 Å²	34.5	27%	0.266	18%	0.184	S	C	.	.	S	Bend	trans	-89.3	160.2	-176.1	-59.1	-172.6	8.1	0	0	113.4	L1043 Q1050 L1051 R1219	L1043-Q1046 PolarHBondContact O-N 2.99Å; L1043-Q1046 VanDerWaalsContact O-N 3.17Å; Q1046-Q1050 HydrophobicContact CB-CB 4.35Å; Q1046-Q1050 HydrophobicContact CB-CG 4.27Å; Q1046-Q1050 HydrophobicContact CG-CG 4.5Å; Q1046-L1051 HydrophobicContact CB-CD2 4.03Å; Q1046-L1051 HydrophobicContact CB-CG 4.08Å; Q1046-R1219 PolarHBondContact O-NH1 2.59Å; Q1046-R1219 PolarHBondContact O-NH2 2.87Å
1047	T	88.5	Confident	87.8	Confident	89 Å²	89	34.2 Å²	34.2	55%	0.546	18%	0.184	S	C	.	.			trans	-75.7	165.3	172.3	60.3	0	0	0	0	111.5	Q1050 L1051 R1219	T1047-Q1050 PolarHBondContact O-N 2.81Å; T1047-Q1050 VanDerWaalsContact OG1-CB 3.25Å; T1047-Q1050 WeakPolarHBondContact OG1-CB 3.26Å; T1047-Q1050 PolarHBondContact OG1-N 2.85Å; T1047-L1051 WeakPolarHBondContact O-CG 3.35Å; T1047-L1051 PolarHBondContact O-N 3.43Å; T1047-R1219 VanDerWaalsContact C-NH1 3.31Å
1048	T	88.6	Confident	87.8	Confident	10 Å²	10	37.8 Å²	37.8	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-65.3	-45	-178.9	-60.5	0	0	0	0	110.6	Q1050 L1051 I1052 L1216 R1219 D1222 A1225	T1048-Q1050 VanDerWaalsContact C-N 3.31Å; T1048-Q1050 PolarHBondContact O-N 3.12Å; T1048-L1051 PolarHBondContact O-N 3.3Å; T1048-L1051 VanDerWaalsContact O-N 3.16Å; T1048-I1052 HydrophobicContact CG2-CD1 3.89Å; T1048-I1052 HydrophobicContact CG2-CG1 4.47Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.41Å; T1048-I1052 PolarHBondContact O-N 2.79Å; T1048-L1216 HydrophobicContact CG2-CD2 3.93Å; T1048-R1219 WeakPolarHBondContact OG1-CD 3.23Å; T1048-R1219 PolarHBondContact OG1-NH1 2.73Å; T1048-D1222 WeakPolarHBondContact CB-OD2 3.24Å; T1048-D1222 VanDerWaalsContact CG2-OD2 3.25Å; T1048-D1222 WeakPolarHBondContact CG2-OD2 3.47Å; T1048-D1222 PolarHBondContact OG1-OD2 3.34Å; T1048-A1225 HydrophobicContact CG2-CB 3.84Å
1049	D	89.7	Confident	87.7	Confident	48 Å²	48	35.9 Å²	35.9	26%	0.257	19%	0.194	S	C	.	.	H	α-helix	trans	-60.6	-41	177.2	-52.8	-79.4	0	0	0	111.3	L1051 I1052 K1053 P1120 N1121	D1049-L1051 PolarHBondContact O-N 2.78Å; D1049-I1052 PolarHBondContact O-N 2.93Å; D1049-K1053 WeakPolarHBondContact O-CB 3.45Å; D1049-K1053 PolarHBondContact O-N 2.96Å; D1049-P1120 HydrophobicContact CB-CB 3.95Å; D1049-N1121 PolarHBondContact OD1-N 3.46Å
1050	Q	90.8	Very high	87.6	Confident	82 Å²	82	39.9 Å²	39.9	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-39.8	175.5	-173.9	59.1	51.6	0	0	112.3	Q1046 T1047 T1048 K1053 T1054	Q1046-Q1050 HydrophobicContact CB-CB 4.35Å; Q1046-Q1050 HydrophobicContact CB-CG 4.27Å; Q1046-Q1050 HydrophobicContact CG-CG 4.5Å; T1047-Q1050 PolarHBondContact O-N 2.81Å; T1047-Q1050 VanDerWaalsContact OG1-CB 3.25Å; T1047-Q1050 WeakPolarHBondContact OG1-CB 3.26Å; T1047-Q1050 PolarHBondContact OG1-N 2.85Å; T1048-Q1050 VanDerWaalsContact C-N 3.31Å; T1048-Q1050 PolarHBondContact O-N 3.12Å; Q1050-K1053 PolarHBondContact O-N 3.35Å; Q1050-T1054 PolarHBondContact NE2-OG1 3.35Å; Q1050-T1054 VanDerWaalsContact O-CB 3.32Å; Q1050-T1054 WeakPolarHBondContact O-CB 3.33Å; Q1050-T1054 PolarHBondContact O-N 2.79Å; Q1050-T1054 PolarHBondContact O-OG1 3.01Å
1051	L	90.7	Very high	87.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-40	175.5	-70.9	176.2	0	0	0	112.4	L1043 Q1046 T1047 T1048 D1049 F1055 L1212 I1215 L1216 R1219	L1043-L1051 HydrophobicContact CB-CD2 4.14Å; L1043-L1051 HydrophobicContact CD2-CD2 4.06Å; Q1046-L1051 HydrophobicContact CB-CD2 4.03Å; Q1046-L1051 HydrophobicContact CB-CG 4.08Å; T1047-L1051 WeakPolarHBondContact O-CG 3.35Å; T1047-L1051 PolarHBondContact O-N 3.43Å; T1048-L1051 PolarHBondContact O-N 3.3Å; T1048-L1051 VanDerWaalsContact O-N 3.16Å; D1049-L1051 PolarHBondContact O-N 2.78Å; L1051-F1055 WeakPolarHBondContact O-CB 3.39Å; L1051-F1055 PolarHBondContact O-N 3Å; L1051-L1212 HydrophobicContact CD2-CD2 3.68Å; L1051-I1215 HydrophobicContact CD1-CG2 3.91Å; L1051-L1216 HydrophobicContact CB-CD1 4.39Å; L1051-L1216 HydrophobicContact CB-CD2 3.82Å; L1051-L1216 HydrophobicContact CB-CG 4.14Å; L1051-L1216 HydrophobicContact CD1-CD2 3.89Å; L1051-L1216 HydrophobicContact CD1-CG 4.21Å; L1051-R1219 VanDerWaalsContact CD1-NH2 3.34Å
1052	I	91.6	Very high	87.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-44.8	175.3	-69.7	172.7	0	0	0	110.4	T1048 D1049 T1054 F1055 I1056 L1216 V1224 F1228	T1048-I1052 HydrophobicContact CG2-CD1 3.89Å; T1048-I1052 HydrophobicContact CG2-CG1 4.47Å; T1048-I1052 WeakPolarHBondContact O-CG1 3.41Å; T1048-I1052 PolarHBondContact O-N 2.79Å; D1049-I1052 PolarHBondContact O-N 2.93Å; I1052-T1054 PolarHBondContact O-N 2.77Å; I1052-F1055 WeakPolarHBondContact O-CB 3.41Å; I1052-F1055 PolarHBondContact O-N 3.21Å; I1052-I1056 HydrophobicContact CG2-CD1 3.92Å; I1052-I1056 PolarHBondContact O-N 3.2Å; I1052-L1216 HydrophobicContact CG1-CD1 4.17Å; I1052-L1216 HydrophobicContact CG1-CD2 4.41Å; I1052-V1224 HydrophobicContact CD1-CG1 3.75Å; I1052-F1228 HydrophobicContact CD1-CB 4.18Å; I1052-F1228 HydrophobicContact CD1-CD2 4.23Å; I1052-F1228 HydrophobicContact CD1-CG 4.12Å; I1052-F1228 HydrophobicContact CG1-CD1 4.17Å; I1052-F1228 HydrophobicContact CG1-CD2 4.16Å; I1052-F1228 HydrophobicContact CG1-CE1 4.4Å; I1052-F1228 HydrophobicContact CG1-CE2 4.42Å; I1052-F1228 HydrophobicContact CG1-CG 4.02Å; I1052-F1228 HydrophobicContact CG2-CD2 4.05Å; I1052-F1228 HydrophobicContact CG2-CE2 3.77Å; I1052-F1228 HydrophobicContact CG2-CZ 4.2Å
1053	K	91.6	Very high	86.6	Confident	49 Å²	49	46 Å²	46	21%	0.213	24%	0.237	C	C	.	.	H	α-helix	trans	-56.8	-48.3	175	-167.5	173.6	-173.8	160.5	0	111	D1049 Q1050 I1056 A1057 D1154 H1158	D1049-K1053 WeakPolarHBondContact O-CB 3.45Å; D1049-K1053 PolarHBondContact O-N 2.96Å; Q1050-K1053 PolarHBondContact O-N 3.35Å; K1053-I1056 PolarHBondContact O-N 3.22Å; K1053-A1057 VanDerWaalsContact O-CB 3.26Å; K1053-A1057 WeakPolarHBondContact O-CB 3.33Å; K1053-A1057 PolarHBondContact O-N 2.76Å; K1053-D1154 WeakPolarHBondContact CE-OD1 3.47Å; K1053-D1154 IonicContact NZ-OD1 2.81Å; K1053-D1154 PolarHBondContact NZ-OD1 3.45Å; K1053-H1158 WeakPolarHBondContact CE-CE1 3.41Å; K1053-H1158 WeakPolarHBondContact CE-NE2 3.4Å; K1053-H1158 HydrophobicContact CG-CB 4.27Å; K1053-H1158 WeakPolarHBondContact CG-CD2 3.42Å
1054	T	90.1	Very high	85.7	Confident	26 Å²	26	48.8 Å²	48.8	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-39.3	175.5	-64.8	0	0	0	0	112.3	Q1050 I1052 L1058 L1212	Q1050-T1054 PolarHBondContact NE2-OG1 3.35Å; Q1050-T1054 VanDerWaalsContact O-CB 3.32Å; Q1050-T1054 WeakPolarHBondContact O-CB 3.33Å; Q1050-T1054 PolarHBondContact O-N 2.79Å; Q1050-T1054 PolarHBondContact O-OG1 3.01Å; I1052-T1054 PolarHBondContact O-N 2.77Å; T1054-L1058 HydrophobicContact CG2-CD1 3.7Å; T1054-L1058 HydrophobicContact CG2-CG 4.38Å; T1054-L1058 WeakPolarHBondContact O-CB 3.13Å; T1054-L1058 VanDerWaalsContact O-CG 3.22Å; T1054-L1058 WeakPolarHBondContact O-CG 3.44Å; T1054-L1058 PolarHBondContact O-N 3.05Å; T1054-L1058 VanDerWaalsContact O-N 3.14Å; T1054-L1212 HydrophobicContact CG2-CD1 4.09Å; T1054-L1212 HydrophobicContact CG2-CD2 4.32Å
1055	F	92.1	Very high	84.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.7	-54.1	174.7	-177.7	-76.2	0	0	0	111.2	L1051 I1052 A1057 L1058 Q1059 I1205 G1209 L1212 L1213 F1228 K1232	L1051-F1055 WeakPolarHBondContact O-CB 3.39Å; L1051-F1055 PolarHBondContact O-N 3Å; I1052-F1055 WeakPolarHBondContact O-CB 3.41Å; I1052-F1055 PolarHBondContact O-N 3.21Å; F1055-A1057 VanDerWaalsContact C-N 3.35Å; F1055-A1057 PolarHBondContact O-N 3.17Å; F1055-L1058 PolarHBondContact O-N 3.21Å; F1055-Q1059 HydrophobicContact CD1-CB 4.38Å; F1055-Q1059 HydrophobicContact CD1-CG 3.77Å; F1055-Q1059 HydrophobicContact CD2-CG 4.23Å; F1055-Q1059 HydrophobicContact CE1-CB 4.08Å; F1055-Q1059 HydrophobicContact CE1-CG 3.46Å; F1055-Q1059 VanDerWaalsContact CE1-CG 3.46Å; F1055-Q1059 HydrophobicContact CE2-CG 3.95Å; F1055-Q1059 HydrophobicContact CG-CG 4.15Å; F1055-Q1059 HydrophobicContact CZ-CG 3.57Å; F1055-Q1059 WeakPolarHBondContact O-CB 3.36Å; F1055-Q1059 WeakPolarHBondContact O-CG 3.46Å; F1055-Q1059 PolarHBondContact O-N 3.08Å; F1055-I1205 HydrophobicContact CE2-CG2 3.91Å; F1055-I1205 HydrophobicContact CZ-CD1 4.21Å; F1055-I1205 HydrophobicContact CZ-CG1 4.49Å; F1055-I1205 HydrophobicContact CZ-CG2 3.94Å; F1055-G1209 WeakPolarHBondContact CE2-O 3.11Å; F1055-L1212 HydrophobicContact CB-CD1 4.05Å; F1055-L1212 HydrophobicContact CD2-CB 4.04Å; F1055-L1212 HydrophobicContact CD2-CD1 4.37Å; F1055-L1213 HydrophobicContact CD2-CG 4.14Å; F1055-L1213 HydrophobicContact CE2-CD1 3.66Å; F1055-L1213 HydrophobicContact CE2-CD2 4.13Å; F1055-L1213 HydrophobicContact CE2-CG 3.59Å; F1055-L1213 HydrophobicContact CZ-CD1 4.14Å; F1055-L1213 HydrophobicContact CZ-CG 4.42Å; F1055-F1228 HydrophobicContact CB-CE1 4.28Å; F1055-F1228 HydrophobicContact CB-CZ 4.18Å; F1055-F1228 AromaticContact CD1-CE1 3.95Å; F1055-F1228 HydrophobicContact CD1-CE1 3.95Å; F1055-F1228 AromaticContact CD1-CZ 3.49Å; F1055-F1228 HydrophobicContact CD1-CZ 3.49Å; F1055-F1228 VanDerWaalsContact CD1-CZ 3.49Å; F1055-F1228 HydrophobicContact CD2-CE1 4.16Å; F1055-F1228 HydrophobicContact CE1-CE1 4.32Å; F1055-F1228 AromaticContact CE1-CZ 3.95Å; F1055-F1228 HydrophobicContact CE1-CZ 3.95Å; F1055-F1228 AromaticContact CG-CE1 3.86Å; F1055-F1228 HydrophobicContact CG-CE1 3.86Å; F1055-F1228 AromaticContact CG-CZ 3.81Å; F1055-F1228 HydrophobicContact CG-CZ 3.81Å; F1055-K1232 HydrophobicContact CE1-CD 3.86Å; F1055-K1232 VanDerWaalsContact CE1-CE 3.43Å; F1055-K1232 HydrophobicContact CE1-CG 4.24Å; F1055-K1232 HydrophobicContact CZ-CD 3.91Å; F1055-K1232 HydrophobicContact CZ-CG 4.07Å
1056	I	91.5	Very high	83.6	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-37.5	-175.9	-63.9	169.4	0	0	0	110.9	I1052 K1053 L1058 H1158 E1160 R1185 F1228	I1052-I1056 HydrophobicContact CG2-CD1 3.92Å; I1052-I1056 PolarHBondContact O-N 3.2Å; K1053-I1056 PolarHBondContact O-N 3.22Å; I1056-L1058 VanDerWaalsContact C-N 3.32Å; I1056-L1058 PolarHBondContact O-N 3.17Å; I1056-H1158 WeakPolarHBondContact CD1-O 3.3Å; I1056-E1160 HydrophobicContact CD1-CG 4.32Å; I1056-R1185 PolarHBondContact O-NH1 3.18Å; I1056-R1185 PolarHBondContact O-NH2 3.11Å; I1056-F1228 HydrophobicContact CD1-CE2 4.25Å; I1056-F1228 HydrophobicContact CG1-CE2 4.44Å; I1056-F1228 HydrophobicContact CG1-CZ 4.42Å
1057	A	89.5	Confident	82.4	Confident	33 Å²	33	56 Å²	56	27%	0.273	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-36.6	175.8	0	0	0	0	0	113.3	K1053 F1055 R1060	K1053-A1057 VanDerWaalsContact O-CB 3.26Å; K1053-A1057 WeakPolarHBondContact O-CB 3.33Å; K1053-A1057 PolarHBondContact O-N 2.76Å; F1055-A1057 VanDerWaalsContact C-N 3.35Å; F1055-A1057 PolarHBondContact O-N 3.17Å; A1057-R1060 PolarHBondContact O-NE 3.06Å
1058	L	88.8	Confident	81.3	Confident	77 Å²	77	54.4 Å²	54.4	40%	0.403	28%	0.282	S	S	.	.	H	α-helix	trans	-85.5	-41.8	-178.2	-68.4	174.1	0	0	0	113.5	T1054 F1055 I1056 R1060 T1208 L1212	T1054-L1058 HydrophobicContact CG2-CD1 3.7Å; T1054-L1058 HydrophobicContact CG2-CG 4.38Å; T1054-L1058 WeakPolarHBondContact O-CB 3.13Å; T1054-L1058 VanDerWaalsContact O-CG 3.22Å; T1054-L1058 WeakPolarHBondContact O-CG 3.44Å; T1054-L1058 PolarHBondContact O-N 3.05Å; T1054-L1058 VanDerWaalsContact O-N 3.14Å; F1055-L1058 PolarHBondContact O-N 3.21Å; I1056-L1058 VanDerWaalsContact C-N 3.32Å; I1056-L1058 PolarHBondContact O-N 3.17Å; L1058-R1060 PolarHBondContact O-N 3.39Å; L1058-T1208 HydrophobicContact CD1-CG2 3.87Å; L1058-L1212 HydrophobicContact CD1-CD1 4.2Å
1059	Q	87.7	Confident	80.7	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.028	31%	0.308	C	S	.	.			trans	-77.2	84.2	-178.4	-60.4	-49	-87.3	0	0	111	F1055 Q1062 Q1183 R1185 D1206	F1055-Q1059 HydrophobicContact CD1-CB 4.38Å; F1055-Q1059 HydrophobicContact CD1-CG 3.77Å; F1055-Q1059 HydrophobicContact CD2-CG 4.23Å; F1055-Q1059 HydrophobicContact CE1-CB 4.08Å; F1055-Q1059 HydrophobicContact CE1-CG 3.46Å; F1055-Q1059 VanDerWaalsContact CE1-CG 3.46Å; F1055-Q1059 HydrophobicContact CE2-CG 3.95Å; F1055-Q1059 HydrophobicContact CG-CG 4.15Å; F1055-Q1059 HydrophobicContact CZ-CG 3.57Å; F1055-Q1059 WeakPolarHBondContact O-CB 3.36Å; F1055-Q1059 WeakPolarHBondContact O-CG 3.46Å; F1055-Q1059 PolarHBondContact O-N 3.08Å; Q1059-Q1062 HydrophobicContact CB-CG 3.66Å; Q1059-Q1183 PolarHBondContact O-NE2 3.39Å; Q1059-R1185 PolarHBondContact O-NH2 3.47Å; Q1059-R1185 VanDerWaalsContact O-NH2 3.12Å; Q1059-D1206 PolarHBondContact NE2-OD1 2.88Å; Q1059-D1206 VanDerWaalsContact NE2-OD1 3.1Å; Q1059-D1206 PolarHBondContact NE2-OD2 2.88Å
1060	R	84.3	Confident	80.4	Confident	169 Å²	169	60.4 Å²	60.4	64%	0.638	31%	0.312	S	S	*	.			trans	-85.6	-32.4	-175.8	-66.9	-177	179.1	-162.1	-4.6	114.2	A1057 L1058 Q1062 Q1183	A1057-R1060 PolarHBondContact O-NE 3.06Å; L1058-R1060 PolarHBondContact O-N 3.39Å; R1060-Q1062 PolarHBondContact O-N 2.86Å; R1060-Q1183 PolarHBondContact O-OE1 2.81Å
1061	D	80.4	Confident	80.3	Confident	115 Å²	115	56.7 Å²	56.7	62%	0.615	30%	0.295	S	S	*	.			trans	-94.5	23.7	-170.1	-47.9	-52.1	0	0	0	113.7	D1063 S1064	D1061-D1063 VanDerWaalsContact C-N 3.31Å; D1061-D1063 PolarHBondContact O-N 3.46Å; D1061-S1064 WeakPolarHBondContact O-CB 3.39Å; D1061-S1064 PolarHBondContact O-N 2.93Å
1062	Q	79.5	Confident	80.4	Confident	15 Å²	15	57 Å²	57	7%	0.07	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-18.1	-174.5	-53.9	-151.7	-92.7	0	0	114.4	Q1059 R1060 V1181 Q1204	Q1059-Q1062 HydrophobicContact CB-CG 3.66Å; R1060-Q1062 PolarHBondContact O-N 2.86Å; Q1062-V1181 HydrophobicContact CB-CB 4.32Å; Q1062-V1181 HydrophobicContact CB-CG1 4.23Å; Q1062-V1181 HydrophobicContact CB-CG2 4.47Å; Q1062-Q1204 PolarHBondContact NE2-O 2.93Å
1063	D	72.3	Confident	80.4	Confident	66 Å²	66	59.7 Å²	59.7	35%	0.353	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-6.3	175.9	57.4	-0.1	0	0	0	112.8	D1061 N1186	D1061-D1063 VanDerWaalsContact C-N 3.31Å; D1061-D1063 PolarHBondContact O-N 3.46Å; D1063-N1186 PolarHBondContact OD2-ND2 3.44Å
1064	S	67	Low	80.6	Confident	58 Å²	58	57.3 Å²	57.3	41%	0.406	30%	0.3	S	S	.	.	S	Bend	trans	-73.9	153.6	-178.4	-67	0	0	0	0	112.4	D1061 S1066	D1061-S1064 WeakPolarHBondContact O-CB 3.39Å; D1061-S1064 PolarHBondContact O-N 2.93Å; S1064-S1066 PolarHBondContact O-N 2.97Å
1065	T	57	Low	80.8	Confident	107 Å²	107	56.9 Å²	56.9	66%	0.656	30%	0.298	S	S	*	.			trans	-57.2	112.4	177.7	46.4	0	0	0	0	110.6
1066	S	58.9	Low	80.9	Confident	34 Å²	34	56.9 Å²	56.9	24%	0.238	30%	0.298	C	S	.	.			trans	-65.2	154.4	-174.9	105.4	0	0	0	0	112	S1064 E1068	S1064-S1066 PolarHBondContact O-N 2.97Å; S1066-E1068 PolarHBondContact O-N 3.41Å; S1066-E1068 PolarHBondContact OG-N 3.32Å; S1066-E1068 PolarHBondContact OG-O 3.25Å
1067	Q	59.4	Low	81	Confident	190 Å²	190	59.5 Å²	59.5	89%	0.888	31%	0.31	S	S	*	.	S	Bend	trans	-66.7	-11.2	172.3	-69.6	-175.7	-7.2	0	0	113.5	Q1204	Q1067-Q1204 VanDerWaalsContact N-NE2 3.16Å
1068	E	65.1	Low	81.2	Confident	57 Å²	57	58 Å²	58	27%	0.266	30%	0.297	S	S	.	.	S	Bend	trans	-96.2	147.4	173.2	-67	170.9	-162.1	0	0	110.4	S1066 R1201 R1202	S1066-E1068 PolarHBondContact O-N 3.41Å; S1066-E1068 PolarHBondContact OG-N 3.32Å; S1066-E1068 PolarHBondContact OG-O 3.25Å; E1068-R1201 WeakPolarHBondContact OE2-CB 3.26Å; E1068-R1202 IonicContact OE1-CZ 2.66Å; E1068-R1202 IonicContact OE1-NE 3.5Å; E1068-R1202 PolarHBondContact OE1-NE 2.96Å; E1068-R1202 IonicContact OE1-NH2 3.89Å; E1068-R1202 PolarHBondContact OE1-NH2 3.44Å; E1068-R1202 IonicContact OE2-NE 3.45Å
1069	E	76.9	Confident	81.2	Confident	132 Å²	132	56.3 Å²	56.3	62%	0.617	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-56.2	133.7	173.7	-72.5	-163.8	167.6	0	0	111.4	R1102	E1069-R1102 IonicContact OE2-NH1 3.65Å; E1069-R1102 PolarHBondContact OE2-NH1 3.12Å
1070	P	83.8	Confident	81.3	Confident	52 Å²	52	57 Å²	57	34%	0.338	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-62.3	142.2	175.5	26.7	-33.9	0	0	0	110.5	L1199	P1070-L1199 WeakPolarHBondContact CA-O 3.43Å
1071	V	89	Confident	81.4	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	29%	0.285	C	S	.	.			trans	-101.4	15.4	179.8	-67.5	0	0	0	0	112.7	D1100 L1101 R1102 I1177 L1199 R1201	V1071-D1100 CarbonylContact C-O 3.55Å; V1071-L1101 CarbonylContact O-C 3.54Å; V1071-L1101 WeakPolarHBondContact O-CA 3.43Å; V1071-R1102 HydrophobicContact CB-CB 4.48Å; V1071-R1102 PolarHBondContact O-N 2.86Å; V1071-I1177 WeakPolarHBondContact CG2-O 3.41Å; V1071-L1199 HydrophobicContact CG2-CB 4.15Å; V1071-L1199 VanDerWaalsContact CG2-O 3.23Å; V1071-L1199 WeakPolarHBondContact CG2-O 3.45Å; V1071-L1199 PolarHBondContact N-O 3.02Å; V1071-R1201 HydrophobicContact CG1-CG 3.75Å
1072	G	91.3	Very high	81.6	Confident	5 Å²	5	52 Å²	52	5%	0.052	28%	0.276	C	S	.	.			trans	141	-176.1	177.6	0	0	0	0	0	111.8	N1099 D1100 L1199	G1072-N1099 VanDerWaalsContact CA-O 3.29Å; G1072-N1099 WeakPolarHBondContact CA-O 3.24Å; G1072-D1100 WeakPolarHBondContact CA-O 3.31Å; G1072-D1100 PolarHBondContact N-O 2.98Å; G1072-L1199 WeakPolarHBondContact O-CB 3.38Å; G1072-L1199 PolarHBondContact O-N 2.81Å
1073	E	93.1	Very high	81.8	Confident	57 Å²	57	55.2 Å²	55.2	27%	0.266	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.6	177.8	58.5	178.8	-168.6	0	0	110.6	A1098 N1099 W1196 V1197	E1073-A1098 CarbonylContact O-C 3.33Å; E1073-A1098 WeakPolarHBondContact O-CA 3.2Å; E1073-A1098 WeakPolarHBondContact O-CB 3.41Å; E1073-N1099 HydrophobicContact CG-CB 3.72Å; E1073-N1099 PolarHBondContact N-O 2.81Å; E1073-N1099 PolarHBondContact O-N 3.35Å; E1073-N1099 WeakPolarHBondContact OE1-CB 3.2Å; E1073-N1099 PolarHBondContact OE1-ND2 3.08Å; E1073-W1196 HydrophobicContact CB-CE3 4.23Å; E1073-W1196 VanDerWaalsContact CD-CE3 3.45Å; E1073-W1196 HydrophobicContact CG-CE3 3.72Å; E1073-W1196 HydrophobicContact CG-CZ3 4.09Å; E1073-V1197 CarbonylContact C-O 3.58Å; E1073-V1197 WeakPolarHBondContact CA-O 3.35Å
1074	V	94.4	Very high	82.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.9	176.1	-171.3	0	0	0	0	109.4	V1076 I1095 A1098 I1113 W1196 V1197 L1199	V1074-V1076 HydrophobicContact CB-CG2 4.21Å; V1074-V1076 HydrophobicContact CG1-CG2 3.74Å; V1074-I1095 HydrophobicContact CG1-CD1 4.41Å; V1074-I1095 HydrophobicContact CG1-CG2 4.01Å; V1074-A1098 HydrophobicContact CG2-CB 4.28Å; V1074-I1113 HydrophobicContact CG1-CG1 4.34Å; V1074-I1113 HydrophobicContact CG1-CG2 4.4Å; V1074-I1113 HydrophobicContact CG2-CD1 3.9Å; V1074-W1196 WeakPolarHBondContact O-CA 3.2Å; V1074-V1197 PolarHBondContact N-O 2.91Å; V1074-V1197 PolarHBondContact O-N 2.83Å; V1074-L1199 HydrophobicContact CG2-CD1 3.82Å; V1074-L1199 HydrophobicContact CG2-CD2 3.91Å; V1074-L1199 HydrophobicContact CG2-CG 4.03Å
1075	S	95	Very high	82.9	Confident	17 Å²	17	58.2 Å²	58.2	12%	0.119	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116	172	-167.6	0	0	0	0	109.7	L1096 A1097 W1196	S1075-L1096 PolarHBondContact O-N 2.96Å; S1075-A1097 PolarHBondContact N-O 3.03Å; S1075-W1196 VanDerWaalsContact CB-CZ3 3.42Å
1076	V	94.7	Very high	84.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.9	-175	-171.1	0	0	0	0	109.9	V1074 V1078 V1093 K1094 I1095 F1163 A1194 C1195 V1197	V1074-V1076 HydrophobicContact CB-CG2 4.21Å; V1074-V1076 HydrophobicContact CG1-CG2 3.74Å; V1076-V1078 HydrophobicContact CG1-CG2 3.7Å; V1076-V1093 HydrophobicContact CG1-CG1 3.68Å; V1076-K1094 WeakPolarHBondContact CA-O 3.48Å; V1076-I1095 HydrophobicContact CG1-CD1 4.16Å; V1076-I1095 HydrophobicContact CG2-CD1 3.91Å; V1076-F1163 HydrophobicContact CB-CE1 4.4Å; V1076-F1163 HydrophobicContact CG1-CE1 3.85Å; V1076-F1163 HydrophobicContact CG1-CZ 3.95Å; V1076-F1163 HydrophobicContact CG2-CD1 4.08Å; V1076-F1163 HydrophobicContact CG2-CE1 3.66Å; V1076-F1163 HydrophobicContact CG2-CZ 4.08Å; V1076-A1194 CarbonylContact O-C 3.6Å; V1076-A1194 WeakPolarHBondContact O-CA 3.33Å; V1076-C1195 PolarHBondContact N-O 2.65Å; V1076-C1195 PolarHBondContact O-N 2.77Å; V1076-V1197 HydrophobicContact CB-CG2 4.48Å; V1076-V1197 HydrophobicContact CG2-CG2 3.96Å
1077	Q	93.5	Very high	85.4	Confident	55 Å²	55	55.6 Å²	55.6	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.7	161	176.3	-173.8	-6.2	0	0	108.3	D1079 K1094 C1193	Q1077-D1079 PolarHBondContact NE2-OD1 3.38Å; Q1077-D1079 PolarHBondContact NE2-OD2 2.99Å; Q1077-K1094 HydrophobicContact CB-CB 4.25Å; Q1077-K1094 PolarHBondContact N-O 3.31Å; Q1077-K1094 PolarHBondContact O-N 3.41Å; Q1077-C1193 CarbonylContact C-O 3.5Å; Q1077-C1193 WeakPolarHBondContact CA-O 3.44Å
1078	V	92.2	Very high	86.7	Confident	2 Å²	2	50 Å²	50	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.4	175.5	-175	0	0	0	0	108.4	V1076 V1091 T1092 V1093 L1161 L1182 S1192 C1193	V1076-V1078 HydrophobicContact CG1-CG2 3.7Å; V1078-V1091 HydrophobicContact CG1-CG1 3.98Å; V1078-T1092 CarbonylContact C-O 3.47Å; V1078-T1092 VanDerWaalsContact CA-O 3.28Å; V1078-T1092 WeakPolarHBondContact CA-O 3.46Å; V1078-V1093 HydrophobicContact CG2-CG1 4.47Å; V1078-L1161 HydrophobicContact CG1-CD1 4.29Å; V1078-L1161 HydrophobicContact CG2-CD1 4.22Å; V1078-L1182 HydrophobicContact CG2-CD1 4.4Å; V1078-L1182 HydrophobicContact CG2-CD2 4.4Å; V1078-S1192 CarbonylContact O-C 3.54Å; V1078-S1192 VanDerWaalsContact O-CA 3.31Å; V1078-S1192 WeakPolarHBondContact O-CA 3.38Å; V1078-C1193 PolarHBondContact N-O 3.15Å; V1078-C1193 PolarHBondContact O-N 3.04Å
1079	D	90.1	Very high	87.7	Confident	42 Å²	42	48.8 Å²	48.8	23%	0.225	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128	174.8	-40.5	-64.9	0	0	0	109.1	Q1077 T1092 S1192	Q1077-D1079 PolarHBondContact NE2-OD1 3.38Å; Q1077-D1079 PolarHBondContact NE2-OD2 2.99Å; D1079-T1092 PolarHBondContact N-O 3.07Å; D1079-T1092 WeakPolarHBondContact O-CB 3.46Å; D1079-T1092 PolarHBondContact O-N 2.96Å; D1079-S1192 WeakPolarHBondContact OD1-CB 3.43Å
1080	L	88.6	Confident	88.4	Confident	21 Å²	21	46.8 Å²	46.8	11%	0.11	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136	-180	-64.9	177.4	0	0	0	110.3	V1091 L1156 F1187 D1191	L1080-V1091 HydrophobicContact CD2-CB 4.18Å; L1080-V1091 HydrophobicContact CD2-CG1 3.89Å; L1080-V1091 HydrophobicContact CD2-CG2 3.79Å; L1080-L1156 HydrophobicContact CD1-CD1 4.37Å; L1080-F1187 HydrophobicContact CD1-CB 3.65Å; L1080-D1191 PolarHBondContact N-O 2.8Å
1081	F	86.7	Confident	88.7	Confident	110 Å²	110	44.3 Å²	44.3	48%	0.482	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	114.8	173.2	175.6	-96.1	0	0	0	110.5	H1083 K1090	F1081-H1083 HydrophobicContact CE1-CB 4.09Å; F1081-K1090 HydrophobicContact CB-CB 4.43Å; F1081-K1090 HydrophobicContact CD1-CB 4.43Å; F1081-K1090 PolarHBondContact N-O 3.31Å; F1081-K1090 PolarHBondContact O-N 2.93Å
1082	T	85.5	Confident	89	Confident	68 Å²	68	45 Å²	45	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121	172.8	-53.2	0	0	0	0	109.2	P1084 H1089	T1082-P1084 WeakPolarHBondContact O-CD 3.4Å; T1082-H1089 PolarHBondContact OG1-CE1 3.31Å; T1082-H1089 PolarHBondContact OG1-ND1 2.91Å
1083	H	83.9	Confident	89.1	Confident	83 Å²	83	44.8 Å²	44.8	38%	0.384	26%	0.256	S	S	.	.			trans	-72	117.3	-178.7	-179.9	-108.1	0	0	0	110.7	F1081 G1085 T1086 G1087 E1088	F1081-H1083 HydrophobicContact CE1-CB 4.09Å; H1083-G1085 PolarHBondContact O-N 2.95Å; H1083-T1086 PolarHBondContact ND1-N 2.91Å; H1083-T1086 PolarHBondContact ND1-OG1 3.29Å; H1083-T1086 PolarHBondContact O-N 3.17Å; H1083-G1087 PolarHBondContact O-N 2.75Å; H1083-E1088 PolarHBondContact N-O 2.88Å
1084	P	81.3	Confident	89.3	Confident	121 Å²	121	44.8 Å²	44.8	79%	0.786	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.7	-167.4	26.1	-35.7	0	0	0	114.5	T1082	T1082-P1084 WeakPolarHBondContact O-CD 3.4Å
1085	G	80	Confident	89.3	Confident	66 Å²	66	44.8 Å²	44.8	68%	0.68	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-18.6	177.5	0	0	0	0	0	115.8	H1083	H1083-G1085 PolarHBondContact O-N 2.95Å
1086	T	86.7	Confident	89.4	Confident	58 Å²	58	46.4 Å²	46.4	36%	0.356	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-18.3	-177.4	57.7	0	0	0	0	113.7	H1083 E1088 N1152	H1083-T1086 PolarHBondContact ND1-N 2.91Å; H1083-T1086 PolarHBondContact ND1-OG1 3.29Å; H1083-T1086 PolarHBondContact O-N 3.17Å; T1086-E1088 WeakPolarHBondContact CB-OE2 3.38Å; T1086-E1088 PolarHBondContact O-N 3.03Å; T1086-E1088 PolarHBondContact OG1-N 3.19Å; T1086-E1088 PolarHBondContact OG1-OE2 3.4Å; T1086-N1152 PolarHBondContact O-ND2 2.87Å
1087	G	82.6	Confident	89.4	Confident	27 Å²	27	46.9 Å²	46.9	28%	0.278	27%	0.266	S	S	.	.			trans	73.8	1.2	-171.7	0	0	0	0	0	113.7	H1083	H1083-G1087 PolarHBondContact O-N 2.75Å
1088	E	86	Confident	89.4	Confident	74 Å²	74	44.3 Å²	44.3	35%	0.346	25%	0.254	S	S	.	.			trans	-69.8	132	177.6	-67.7	173.7	112.2	0	0	111	H1083 T1086	H1083-E1088 PolarHBondContact N-O 2.88Å; T1086-E1088 WeakPolarHBondContact CB-OE2 3.38Å; T1086-E1088 PolarHBondContact O-N 3.03Å; T1086-E1088 PolarHBondContact OG1-N 3.19Å; T1086-E1088 PolarHBondContact OG1-OE2 3.4Å
1089	H	86.9	Confident	89.4	Confident	31 Å²	31	46.5 Å²	46.5	14%	0.144	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.4	177.2	-51.2	-78.2	0	0	0	110.9	T1082 L1150 L1156	T1082-H1089 PolarHBondContact OG1-CE1 3.31Å; T1082-H1089 PolarHBondContact OG1-ND1 2.91Å; H1089-L1150 HydrophobicContact CB-CB 4.23Å; H1089-L1150 PolarHBondContact N-O 2.67Å; H1089-L1150 PolarHBondContact O-N 2.74Å; H1089-L1156 HydrophobicContact CB-CD2 3.84Å
1090	K	90.5	Very high	89.4	Confident	89 Å²	89	48.7 Å²	48.7	39%	0.387	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.2	171.1	-179.8	-177.7	173.7	-175.7	0	109.3	F1081 Y1147 F1148	F1081-K1090 HydrophobicContact CB-CB 4.43Å; F1081-K1090 HydrophobicContact CD1-CB 4.43Å; F1081-K1090 PolarHBondContact N-O 3.31Å; F1081-K1090 PolarHBondContact O-N 2.93Å; K1090-Y1147 VanDerWaalsContact CE-CD1 3.49Å; K1090-F1148 WeakPolarHBondContact CA-O 3.44Å
1091	V	91.5	Very high	89.6	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.5	176.6	-172.3	0	0	0	0	108.6	V1078 L1080 V1093 I1117 Y1147 F1148 L1150 L1161 L1184	V1078-V1091 HydrophobicContact CG1-CG1 3.98Å; L1080-V1091 HydrophobicContact CD2-CB 4.18Å; L1080-V1091 HydrophobicContact CD2-CG1 3.89Å; L1080-V1091 HydrophobicContact CD2-CG2 3.79Å; V1091-V1093 HydrophobicContact CG1-CG2 3.95Å; V1091-I1117 HydrophobicContact CB-CD1 4.47Å; V1091-I1117 HydrophobicContact CG2-CD1 4.15Å; V1091-Y1147 WeakPolarHBondContact O-CA 3.09Å; V1091-F1148 HydrophobicContact CB-CB 4.28Å; V1091-F1148 PolarHBondContact N-O 3.29Å; V1091-F1148 PolarHBondContact O-N 3.27Å; V1091-L1150 HydrophobicContact CG2-CD1 4.01Å; V1091-L1150 HydrophobicContact CG2-CG 4.4Å; V1091-L1161 HydrophobicContact CG1-CD1 4.11Å; V1091-L1184 HydrophobicContact CG2-CD1 3.98Å
1092	T	94	Very high	89.6	Confident	20 Å²	20	47.8 Å²	47.8	12%	0.123	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.5	176	-56.4	0	0	0	0	108.7	V1078 D1079 T1145 Y1147	V1078-T1092 CarbonylContact C-O 3.47Å; V1078-T1092 VanDerWaalsContact CA-O 3.28Å; V1078-T1092 WeakPolarHBondContact CA-O 3.46Å; D1079-T1092 PolarHBondContact N-O 3.07Å; D1079-T1092 WeakPolarHBondContact O-CB 3.46Å; D1079-T1092 PolarHBondContact O-N 2.96Å; T1092-T1145 HydrophobicContact CG2-CG2 3.65Å; T1092-Y1147 HydrophobicContact CG2-CD1 3.81Å; T1092-Y1147 HydrophobicContact CG2-CE1 3.52Å
1093	V	94.7	Very high	89.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.3	-178.1	-173.9	0	0	0	0	109.8	V1076 V1078 V1091 I1095 V1115 T1145 F1146 F1148 L1161 F1163	V1076-V1093 HydrophobicContact CG1-CG1 3.68Å; V1078-V1093 HydrophobicContact CG2-CG1 4.47Å; V1091-V1093 HydrophobicContact CG1-CG2 3.95Å; V1093-I1095 HydrophobicContact CG1-CD1 4.1Å; V1093-V1115 HydrophobicContact CG1-CG1 4.15Å; V1093-T1145 CarbonylContact O-C 3.56Å; V1093-T1145 WeakPolarHBondContact O-CA 3.38Å; V1093-F1146 PolarHBondContact N-O 3.41Å; V1093-F1146 PolarHBondContact O-N 3.45Å; V1093-F1148 HydrophobicContact CG2-CD2 4.1Å; V1093-F1148 HydrophobicContact CG2-CE2 4Å; V1093-L1161 HydrophobicContact CG2-CD1 3.59Å; V1093-L1161 HydrophobicContact CG2-CD2 4.17Å; V1093-F1163 HydrophobicContact CG1-CE1 3.95Å; V1093-F1163 HydrophobicContact CG1-CZ 4.27Å
1094	K	95.8	Very high	89.6	Confident	56 Å²	56	48.4 Å²	48.4	24%	0.243	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.8	-179.2	-180	-177.5	-179.7	-165.8	0	110.5	V1076 Q1077 L1096 N1143 E1144 T1145	V1076-K1094 WeakPolarHBondContact CA-O 3.48Å; Q1077-K1094 HydrophobicContact CB-CB 4.25Å; Q1077-K1094 PolarHBondContact N-O 3.31Å; Q1077-K1094 PolarHBondContact O-N 3.41Å; K1094-L1096 HydrophobicContact CD-CD2 3.92Å; K1094-L1096 HydrophobicContact CG-CD2 3.96Å; K1094-L1096 PolarHBondContact O-N 2.89Å; K1094-N1143 VanDerWaalsContact CE-OD1 3.23Å; K1094-N1143 WeakPolarHBondContact CE-OD1 3.49Å; K1094-E1144 CarbonylContact C-O 3.49Å; K1094-E1144 WeakPolarHBondContact CA-O 3.36Å; K1094-T1145 HydrophobicContact CB-CG2 4.32Å; K1094-T1145 WeakPolarHBondContact CG-OG1 3.45Å
1095	I	96	Very high	89.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	108.1	177.7	-53.3	-56.9	0	0	0	108.6	V1074 V1076 V1093 I1113 V1115 T1131 F1142 N1143 E1144 F1146 F1163	V1074-I1095 HydrophobicContact CG1-CD1 4.41Å; V1074-I1095 HydrophobicContact CG1-CG2 4.01Å; V1076-I1095 HydrophobicContact CG1-CD1 4.16Å; V1076-I1095 HydrophobicContact CG2-CD1 3.91Å; V1093-I1095 HydrophobicContact CG1-CD1 4.1Å; I1095-I1113 HydrophobicContact CD1-CG2 4.46Å; I1095-I1113 HydrophobicContact CG2-CB 4.31Å; I1095-I1113 HydrophobicContact CG2-CG1 4.13Å; I1095-V1115 HydrophobicContact CD1-CG2 3.71Å; I1095-V1115 HydrophobicContact CG1-CG2 3.9Å; I1095-T1131 HydrophobicContact CB-CG2 3.92Å; I1095-T1131 HydrophobicContact CG1-CG2 4.07Å; I1095-T1131 HydrophobicContact CG2-CG2 3.98Å; I1095-F1142 HydrophobicContact CG2-CB 4.28Å; I1095-F1142 HydrophobicContact CG2-CD2 3.84Å; I1095-F1142 HydrophobicContact CG2-CG 4.34Å; I1095-N1143 VanDerWaalsContact O-CA 3.23Å; I1095-N1143 WeakPolarHBondContact O-CA 3.39Å; I1095-N1143 PolarHBondContact O-N 3.25Å; I1095-E1144 PolarHBondContact N-O 3.36Å; I1095-E1144 PolarHBondContact O-N 2.88Å; I1095-E1144 VanDerWaalsContact O-N 3.12Å; I1095-F1146 HydrophobicContact CG1-CD2 4.39Å; I1095-F1146 HydrophobicContact CG1-CE2 4.08Å; I1095-F1163 HydrophobicContact CD1-CD1 3.96Å; I1095-F1163 HydrophobicContact CD1-CE1 3.75Å
1096	L	95.3	Very high	89.3	Confident	51 Å²	51	48.2 Å²	48.2	27%	0.267	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-56	-176.7	-60.6	172.7	0	0	0	110.4	S1075 K1094 F1142 N1143	S1075-L1096 PolarHBondContact O-N 2.96Å; K1094-L1096 HydrophobicContact CD-CD2 3.92Å; K1094-L1096 HydrophobicContact CG-CD2 3.96Å; K1094-L1096 PolarHBondContact O-N 2.89Å; L1096-F1142 PolarHBondContact O-N 3.03Å; L1096-N1143 PolarHBondContact O-N 3.34Å
1097	A	95.1	Very high	88.9	Confident	11 Å²	11	47.5 Å²	47.5	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	170.6	-178	0	0	0	0	0	111.3	S1075 P1140 K1141	S1075-A1097 PolarHBondContact N-O 3.03Å; A1097-P1140 CarbonylContact C-O 3.59Å; A1097-P1140 WeakPolarHBondContact CA-O 3.49Å; A1097-K1141 HydrophobicContact CB-CG 4.1Å
1098	A	94.6	Very high	89.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.8	156.6	0	0	0	0	0	109.6	E1073 V1074 L1101 I1113 A1139 P1140 F1142	E1073-A1098 CarbonylContact O-C 3.33Å; E1073-A1098 WeakPolarHBondContact O-CA 3.2Å; E1073-A1098 WeakPolarHBondContact O-CB 3.41Å; V1074-A1098 HydrophobicContact CG2-CB 4.28Å; A1098-L1101 HydrophobicContact CB-CD1 4.1Å; A1098-L1101 HydrophobicContact CB-CD2 4.11Å; A1098-L1101 HydrophobicContact CB-CG 4.18Å; A1098-I1113 HydrophobicContact CB-CD1 4.16Å; A1098-A1139 CarbonylContact O-C 3.53Å; A1098-A1139 WeakPolarHBondContact O-CA 3.48Å; A1098-P1140 HydrophobicContact CB-CG 4.13Å; A1098-P1140 PolarHBondContact N-O 3.45Å; A1098-P1140 WeakPolarHBondContact O-CD 3.49Å; A1098-F1142 HydrophobicContact CB-CE2 4.38Å
1099	N	92.3	Very high	89.3	Confident	48 Å²	48	46.6 Å²	46.6	26%	0.257	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	160.8	178.7	-61.9	-22.3	0	0	0	111.2	G1072 E1073 L1101 W1196	G1072-N1099 VanDerWaalsContact CA-O 3.29Å; G1072-N1099 WeakPolarHBondContact CA-O 3.24Å; E1073-N1099 HydrophobicContact CG-CB 3.72Å; E1073-N1099 PolarHBondContact N-O 2.81Å; E1073-N1099 PolarHBondContact O-N 3.35Å; E1073-N1099 WeakPolarHBondContact OE1-CB 3.2Å; E1073-N1099 PolarHBondContact OE1-ND2 3.08Å; N1099-L1101 PolarHBondContact O-N 3.02Å; N1099-L1101 VanDerWaalsContact O-N 3.09Å; N1099-W1196 WeakPolarHBondContact ND2-CH2 3.36Å; N1099-W1196 WeakPolarHBondContact ND2-CZ3 3.48Å
1100	D	89.1	Confident	89.6	Confident	89 Å²	89	49.3 Å²	49.3	48%	0.476	26%	0.258	S	S	.	.			trans	41.4	45.2	175.1	-163.1	30.1	0	0	0	114	V1071 G1072 R1102	V1071-D1100 CarbonylContact C-O 3.55Å; G1072-D1100 WeakPolarHBondContact CA-O 3.31Å; G1072-D1100 PolarHBondContact N-O 2.98Å; D1100-R1102 VanDerWaalsContact C-N 3.31Å; D1100-R1102 WeakPolarHBondContact O-CG 3.43Å; D1100-R1102 PolarHBondContact O-N 2.85Å; D1100-R1102 IonicContact OD1-NE 3.25Å; D1100-R1102 IonicContact OD2-CZ 2.67Å; D1100-R1102 VanDerWaalsContact OD2-CZ 3.3Å; D1100-R1102 IonicContact OD2-NE 3.34Å; D1100-R1102 PolarHBondContact OD2-NE 3.03Å; D1100-R1102 IonicContact OD2-NH2 3.76Å; D1100-R1102 PolarHBondContact OD2-NH2 2.72Å
1101	L	92.4	Very high	89.8	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.			trans	-69.4	85.5	-179.8	-69.1	-178.8	0	0	0	110.4	V1071 A1098 N1099 W1103 F1109 P1111 W1138 P1140 A1165 I1177 L1199	V1071-L1101 CarbonylContact O-C 3.54Å; V1071-L1101 WeakPolarHBondContact O-CA 3.43Å; A1098-L1101 HydrophobicContact CB-CD1 4.1Å; A1098-L1101 HydrophobicContact CB-CD2 4.11Å; A1098-L1101 HydrophobicContact CB-CG 4.18Å; N1099-L1101 PolarHBondContact O-N 3.02Å; N1099-L1101 VanDerWaalsContact O-N 3.09Å; L1101-W1103 PolarHBondContact O-N 2.79Å; L1101-F1109 HydrophobicContact CB-CZ 4.28Å; L1101-F1109 HydrophobicContact CD1-CZ 4.35Å; L1101-P1111 HydrophobicContact CD1-CB 3.75Å; L1101-P1111 HydrophobicContact CD1-CG 4.22Å; L1101-W1138 PolarHBondContact N-O 3.27Å; L1101-P1140 HydrophobicContact CD1-CG 3.86Å; L1101-A1165 HydrophobicContact CD2-CB 4.05Å; L1101-I1177 HydrophobicContact CB-CG2 4.49Å; L1101-I1177 HydrophobicContact CD2-CG2 4.46Å; L1101-L1199 HydrophobicContact CD2-CD1 3.73Å
1102	R	87.8	Confident	90	Very high	112 Å²	112	45.5 Å²	45.5	42%	0.423	24%	0.241	S	C	.	.			trans	-67.4	70.4	-173	-60.7	-172.6	-176.9	-178	2.4	112.5	E1069 V1071 D1100 R1236	E1069-R1102 IonicContact OE2-NH1 3.65Å; E1069-R1102 PolarHBondContact OE2-NH1 3.12Å; V1071-R1102 HydrophobicContact CB-CB 4.48Å; V1071-R1102 PolarHBondContact O-N 2.86Å; D1100-R1102 VanDerWaalsContact C-N 3.31Å; D1100-R1102 WeakPolarHBondContact O-CG 3.43Å; D1100-R1102 PolarHBondContact O-N 2.85Å; D1100-R1102 IonicContact OD1-NE 3.25Å; D1100-R1102 IonicContact OD2-CZ 2.67Å; D1100-R1102 VanDerWaalsContact OD2-CZ 3.3Å; D1100-R1102 IonicContact OD2-NE 3.34Å; D1100-R1102 PolarHBondContact OD2-NE 3.03Å; D1100-R1102 IonicContact OD2-NH2 3.76Å; D1100-R1102 PolarHBondContact OD2-NH2 2.72Å; R1102-R1236 VanDerWaalsContact O-CZ 3.23Å; R1102-R1236 PolarHBondContact O-NH1 3.32Å; R1102-R1236 PolarHBondContact O-NH2 3.1Å
1103	W	88	Confident	90.1	Very high	14 Å²	14	44.6 Å²	44.6	5%	0.053	24%	0.235	C	C	.	.			trans	-120.8	139.9	-176.9	-169.8	-112.6	0	0	0	111.6	L1101 F1109 W1138 D1167 R1175 L1176 I1177 R1236	L1101-W1103 PolarHBondContact O-N 2.79Å; W1103-F1109 HydrophobicContact CB-CE2 3.88Å; W1103-F1109 HydrophobicContact CB-CZ 4.03Å; W1103-F1109 AromaticContact CD1-CD2 3.42Å; W1103-F1109 VanDerWaalsContact CD1-CD2 3.42Å; W1103-F1109 AromaticContact CD1-CE2 3.3Å; W1103-F1109 HydrophobicContact CG-CD2 4.34Å; W1103-F1109 AromaticContact CG-CE2 3.83Å; W1103-F1109 HydrophobicContact CG-CE2 3.83Å; W1103-F1109 HydrophobicContact CG-CZ 4.47Å; W1103-W1138 PolarHBondContact O-NE1 3.23Å; W1103-D1167 PolarHBondContact NE1-OD2 3.44Å; W1103-R1175 HydrophobicContact CH2-CB 3.95Å; W1103-R1175 HydrophobicContact CZ2-CB 3.59Å; W1103-R1175 HydrophobicContact CZ2-CG 4.39Å; W1103-L1176 WeakPolarHBondContact CZ3-O 3.42Å; W1103-I1177 HydrophobicContact CB-CG1 4.28Å; W1103-I1177 HydrophobicContact CB-CG2 3.93Å; W1103-I1177 HydrophobicContact CD2-CB 4.48Å; W1103-I1177 HydrophobicContact CD2-CG1 3.93Å; W1103-I1177 HydrophobicContact CD2-CG2 4.49Å; W1103-I1177 HydrophobicContact CE3-CB 4.29Å; W1103-I1177 HydrophobicContact CE3-CG1 4.2Å; W1103-I1177 HydrophobicContact CE3-CG2 4.27Å; W1103-I1177 HydrophobicContact CG-CG1 3.97Å; W1103-I1177 HydrophobicContact CG-CG2 4.4Å; W1103-R1236 HydrophobicContact CZ3-CG 3.77Å
1104	Q	81.3	Confident	90.2	Very high	150 Å²	150	45.2 Å²	45.2	70%	0.701	24%	0.238	S	C	*	.			trans	-119.5	136.9	171.2	-70.9	-177.2	-9.4	0	0	109
1105	T	78.8	Confident	90.2	Very high	37 Å²	37	42.5 Å²	42.5	23%	0.227	23%	0.227	C	C	.	.			trans	-146.8	142.3	-178.2	165.4	0	0	0	0	110.3	G1107 F1109 R1175	T1105-G1107 VanDerWaalsContact C-N 3.29Å; T1105-G1107 VanDerWaalsContact CG2-O 3.23Å; T1105-G1107 WeakPolarHBondContact CG2-O 3.42Å; T1105-G1107 PolarHBondContact OG1-N 2.94Å; T1105-G1107 VanDerWaalsContact OG1-N 3.12Å; T1105-G1107 PolarHBondContact OG1-O 3.24Å; T1105-F1109 HydrophobicContact CG2-CB 3.67Å; T1105-F1109 HydrophobicContact CG2-CD2 4.1Å; T1105-F1109 HydrophobicContact CG2-CG 4.23Å; T1105-R1175 VanDerWaalsContact CB-NH2 3.34Å; T1105-R1175 PolarHBondContact OG1-NH2 2.78Å
1106	T	77	Confident	90.1	Very high	145 Å²	145	42.8 Å²	42.8	89%	0.89	23%	0.228	S	C	*	.	S	Bend	trans	-77.9	-12.7	175.2	50.8	0	0	0	0	113.6
1107	G	78	Confident	90.1	Very high	43 Å²	43	40.4 Å²	40.4	44%	0.443	22%	0.216	S	C	.	.	S	Bend	trans	-115.7	175.9	173.3	0	0	0	0	0	112.1	T1105 F1109	T1105-G1107 VanDerWaalsContact C-N 3.29Å; T1105-G1107 VanDerWaalsContact CG2-O 3.23Å; T1105-G1107 WeakPolarHBondContact CG2-O 3.42Å; T1105-G1107 PolarHBondContact OG1-N 2.94Å; T1105-G1107 VanDerWaalsContact OG1-N 3.12Å; T1105-G1107 PolarHBondContact OG1-O 3.24Å; G1107-F1109 PolarHBondContact O-N 3.08Å; G1107-F1109 VanDerWaalsContact O-N 3.1Å
1108	V	86.7	Confident	90	Very high	82 Å²	82	40.3 Å²	40.3	50%	0.497	21%	0.214	S	C	.	.			trans	-56.9	114.8	178.8	-177.2	0	0	0	0	110.7	R1110 T1135	V1108-R1110 HydrophobicContact CG1-CG 4.36Å; V1108-T1135 HydrophobicContact CG1-CG2 3.57Å
1109	F	90.4	Very high	89.8	Confident	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.214	C	C	.	.			trans	-62.3	131.7	177	-177.3	-138.1	0	0	0	111	L1101 W1103 T1105 G1107 P1111 N1136 N1137 W1138 D1167 I1177	L1101-F1109 HydrophobicContact CB-CZ 4.28Å; L1101-F1109 HydrophobicContact CD1-CZ 4.35Å; W1103-F1109 HydrophobicContact CB-CE2 3.88Å; W1103-F1109 HydrophobicContact CB-CZ 4.03Å; W1103-F1109 AromaticContact CD1-CD2 3.42Å; W1103-F1109 VanDerWaalsContact CD1-CD2 3.42Å; W1103-F1109 AromaticContact CD1-CE2 3.3Å; W1103-F1109 HydrophobicContact CG-CD2 4.34Å; W1103-F1109 AromaticContact CG-CE2 3.83Å; W1103-F1109 HydrophobicContact CG-CE2 3.83Å; W1103-F1109 HydrophobicContact CG-CZ 4.47Å; T1105-F1109 HydrophobicContact CG2-CB 3.67Å; T1105-F1109 HydrophobicContact CG2-CD2 4.1Å; T1105-F1109 HydrophobicContact CG2-CG 4.23Å; G1107-F1109 PolarHBondContact O-N 3.08Å; G1107-F1109 VanDerWaalsContact O-N 3.1Å; F1109-P1111 HydrophobicContact CD1-CG 4.09Å; F1109-P1111 HydrophobicContact CE1-CB 4.26Å; F1109-P1111 HydrophobicContact CE1-CG 3.57Å; F1109-P1111 HydrophobicContact CE2-CB 4.09Å; F1109-P1111 HydrophobicContact CE2-CG 4.12Å; F1109-P1111 HydrophobicContact CZ-CB 3.75Å; F1109-P1111 HydrophobicContact CZ-CG 3.58Å; F1109-N1136 WeakPolarHBondContact O-CA 3.25Å; F1109-N1136 PolarHBondContact O-N 3.15Å; F1109-N1137 WeakPolarHBondContact CE1-O 3.15Å; F1109-W1138 HydrophobicContact CB-CH2 3.85Å; F1109-W1138 HydrophobicContact CB-CZ2 4Å; F1109-W1138 HydrophobicContact CB-CZ3 4.47Å; F1109-W1138 AromaticContact CD1-CD2 3.6Å; F1109-W1138 HydrophobicContact CD1-CD2 3.6Å; F1109-W1138 AromaticContact CD1-CE2 3.5Å; F1109-W1138 VanDerWaalsContact CD1-CE2 3.5Å; F1109-W1138 AromaticContact CD1-CE3 3.82Å; F1109-W1138 HydrophobicContact CD1-CE3 3.82Å; F1109-W1138 HydrophobicContact CD1-CG 4.23Å; F1109-W1138 AromaticContact CD1-CH2 3.82Å; F1109-W1138 HydrophobicContact CD1-CH2 3.82Å; F1109-W1138 AromaticContact CD1-CZ2 3.61Å; F1109-W1138 HydrophobicContact CD1-CZ2 3.61Å; F1109-W1138 AromaticContact CD1-CZ3 3.92Å; F1109-W1138 HydrophobicContact CD1-CZ3 3.92Å; F1109-W1138 AromaticContact CE1-CD2 3.73Å; F1109-W1138 HydrophobicContact CE1-CD2 3.73Å; F1109-W1138 AromaticContact CE1-CE2 3.78Å; F1109-W1138 HydrophobicContact CE1-CE3 4.29Å; F1109-W1138 AromaticContact CE1-CG 3.85Å; F1109-W1138 HydrophobicContact CE1-CG 3.85Å; F1109-W1138 HydrophobicContact CE1-CZ2 4.34Å; F1109-W1138 AromaticContact CE1-NE1 3.94Å; F1109-W1138 HydrophobicContact CG-CH2 4.23Å; F1109-W1138 HydrophobicContact CG-CZ2 4.02Å; F1109-D1167 HydrophobicContact CD2-CB 4.15Å; F1109-D1167 VanDerWaalsContact CD2-OD1 3.3Å; F1109-D1167 WeakPolarHBondContact CD2-OD1 3.41Å; F1109-D1167 HydrophobicContact CE2-CB 4.08Å; F1109-I1177 HydrophobicContact CE2-CD1 3.64Å; F1109-I1177 HydrophobicContact CE2-CG1 4.35Å; F1109-I1177 HydrophobicContact CZ-CD1 3.87Å
1110	R	92.9	Very high	89.7	Confident	87 Å²	87	38.1 Å²	38.1	33%	0.328	20%	0.202	S	C	.	.			trans	-140.1	70.7	-178.4	-69.1	177.4	-173.4	-177.7	4.7	111.7	V1108 K1134 T1135 D1167 Y1168	V1108-R1110 HydrophobicContact CG1-CG 4.36Å; R1110-K1134 WeakPolarHBondContact CA-O 3.32Å; R1110-T1135 HydrophobicContact CG-CG2 4.5Å; R1110-D1167 PolarHBondContact N-OD1 2.86Å; R1110-Y1168 WeakPolarHBondContact O-CB 3.46Å; R1110-Y1168 PolarHBondContact O-N 3.01Å
1111	P	94.4	Very high	89.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	143.7	-178.7	22.9	-33.7	0	0	0	113.9	L1101 F1109 T1133 K1134 N1137 P1140 K1166 I1177	L1101-P1111 HydrophobicContact CD1-CB 3.75Å; L1101-P1111 HydrophobicContact CD1-CG 4.22Å; F1109-P1111 HydrophobicContact CD1-CG 4.09Å; F1109-P1111 HydrophobicContact CE1-CB 4.26Å; F1109-P1111 HydrophobicContact CE1-CG 3.57Å; F1109-P1111 HydrophobicContact CE2-CB 4.09Å; F1109-P1111 HydrophobicContact CE2-CG 4.12Å; F1109-P1111 HydrophobicContact CZ-CB 3.75Å; F1109-P1111 HydrophobicContact CZ-CG 3.58Å; P1111-T1133 WeakPolarHBondContact O-CA 3.39Å; P1111-K1134 WeakPolarHBondContact CD-O 3.33Å; P1111-K1134 PolarHBondContact O-N 3.06Å; P1111-N1137 WeakPolarHBondContact CG-O 3.45Å; P1111-P1140 HydrophobicContact CB-CG 4.35Å; P1111-P1140 HydrophobicContact CG-CG 4.09Å; P1111-K1166 CarbonylContact C-O 3.58Å; P1111-K1166 VanDerWaalsContact CA-O 3.26Å; P1111-K1166 WeakPolarHBondContact CA-O 3.36Å; P1111-I1177 HydrophobicContact CB-CD1 4.15Å
1112	F	96	Very high	89.2	Confident	10 Å²	10	36.8 Å²	36.8	4%	0.044	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	162.6	166.1	66.2	-73.3	0	0	0	109.5	E1114 A1130 T1133 K1166 D1174	F1112-E1114 HydrophobicContact CD2-CG 3.93Å; F1112-E1114 HydrophobicContact CE2-CG 3.45Å; F1112-E1114 VanDerWaalsContact CE2-CG 3.45Å; F1112-E1114 WeakPolarHBondContact CE2-OE1 3.39Å; F1112-E1114 HydrophobicContact CZ-CG 4.37Å; F1112-A1130 HydrophobicContact CD2-CB 4.24Å; F1112-A1130 HydrophobicContact CE2-CB 4.48Å; F1112-T1133 HydrophobicContact CB-CG2 4.03Å; F1112-T1133 HydrophobicContact CD1-CG2 3.95Å; F1112-T1133 HydrophobicContact CG-CG2 4.16Å; F1112-K1166 HydrophobicContact CD1-CB 4.15Å; F1112-K1166 WeakPolarHBondContact CD1-O 3.38Å; F1112-K1166 HydrophobicContact CE1-CB 3.54Å; F1112-K1166 HydrophobicContact CE2-CB 4.28Å; F1112-K1166 HydrophobicContact CZ-CB 3.62Å; F1112-K1166 HydrophobicContact CZ-CD 4.34Å; F1112-K1166 PolarHBondContact N-O 2.85Å; F1112-K1166 PolarHBondContact O-N 3.08Å; F1112-D1174 HydrophobicContact CE1-CB 4.01Å; F1112-D1174 HydrophobicContact CZ-CB 3.87Å
1113	I	96.3	Very high	89	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.2	178.1	-53.2	-57.8	0	0	0	108.5	V1074 I1095 A1098 V1115 A1130 T1131 F1142 Q1164 A1165	V1074-I1113 HydrophobicContact CG1-CG1 4.34Å; V1074-I1113 HydrophobicContact CG1-CG2 4.4Å; V1074-I1113 HydrophobicContact CG2-CD1 3.9Å; I1095-I1113 HydrophobicContact CD1-CG2 4.46Å; I1095-I1113 HydrophobicContact CG2-CB 4.31Å; I1095-I1113 HydrophobicContact CG2-CG1 4.13Å; A1098-I1113 HydrophobicContact CB-CD1 4.16Å; I1113-V1115 HydrophobicContact CG2-CG2 4.28Å; I1113-A1130 CarbonylContact O-C 3.58Å; I1113-A1130 VanDerWaalsContact O-CA 3.31Å; I1113-A1130 WeakPolarHBondContact O-CA 3.44Å; I1113-T1131 HydrophobicContact CB-CG2 4.21Å; I1113-T1131 PolarHBondContact N-OG1 2.9Å; I1113-T1131 PolarHBondContact O-N 2.83Å; I1113-F1142 HydrophobicContact CD1-CE2 4.33Å; I1113-F1142 HydrophobicContact CG1-CD2 4.23Å; I1113-F1142 HydrophobicContact CG1-CE2 3.61Å; I1113-F1142 HydrophobicContact CG1-CZ 4.01Å; I1113-Q1164 WeakPolarHBondContact CA-O 3.34Å; I1113-A1165 HydrophobicContact CD1-CB 3.64Å
1114	E	95.6	Very high	88.7	Confident	13 Å²	13	41.4 Å²	41.4	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.7	165.1	-49.1	-156.6	119.9	0	0	109.4	F1112 H1116 K1128 F1129 A1130 F1163 Q1164 K1166	F1112-E1114 HydrophobicContact CD2-CG 3.93Å; F1112-E1114 HydrophobicContact CE2-CG 3.45Å; F1112-E1114 VanDerWaalsContact CE2-CG 3.45Å; F1112-E1114 WeakPolarHBondContact CE2-OE1 3.39Å; F1112-E1114 HydrophobicContact CZ-CG 4.37Å; E1114-H1116 IonicContact OE2-NE2 2.79Å; E1114-K1128 WeakPolarHBondContact OE1-CE 3.38Å; E1114-K1128 IonicContact OE1-NZ 2.98Å; E1114-K1128 PolarHBondContact OE1-NZ 3.03Å; E1114-K1128 WeakPolarHBondContact OE2-CE 3.44Å; E1114-K1128 IonicContact OE2-NZ 2.85Å; E1114-K1128 PolarHBondContact OE2-NZ 3.21Å; E1114-F1129 WeakPolarHBondContact CA-O 3.45Å; E1114-A1130 HydrophobicContact CG-CB 4.23Å; E1114-F1163 WeakPolarHBondContact O-CA 3.4Å; E1114-Q1164 HydrophobicContact CB-CB 4.37Å; E1114-Q1164 PolarHBondContact N-O 2.85Å; E1114-Q1164 PolarHBondContact O-N 2.88Å; E1114-K1166 HydrophobicContact CG-CD 4.18Å; E1114-K1166 WeakPolarHBondContact OE2-CE 3.34Å; E1114-K1166 IonicContact OE2-NZ 3.51Å; E1114-K1166 PolarHBondContact OE2-NZ 2.89Å
1115	V	95.7	Very high	88.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.4	176.5	-171	0	0	0	0	108.2	V1093 I1095 I1113 K1128 F1129 F1146 F1148 L1161 F1163	V1093-V1115 HydrophobicContact CG1-CG1 4.15Å; I1095-V1115 HydrophobicContact CD1-CG2 3.71Å; I1095-V1115 HydrophobicContact CG1-CG2 3.9Å; I1113-V1115 HydrophobicContact CG2-CG2 4.28Å; V1115-K1128 WeakPolarHBondContact O-CA 3.29Å; V1115-F1129 PolarHBondContact N-O 2.88Å; V1115-F1129 PolarHBondContact O-N 3.37Å; V1115-F1146 HydrophobicContact CG2-CD2 4.2Å; V1115-F1146 HydrophobicContact CG2-CE2 4.34Å; V1115-F1148 HydrophobicContact CB-CZ 4.39Å; V1115-F1148 HydrophobicContact CG1-CE2 3.89Å; V1115-F1148 HydrophobicContact CG1-CZ 3.96Å; V1115-L1161 HydrophobicContact CG1-CD2 4.25Å; V1115-F1163 HydrophobicContact CG1-CD1 4.2Å; V1115-F1163 HydrophobicContact CG1-CE1 3.88Å; V1115-F1163 HydrophobicContact CG1-CZ 4.45Å; V1115-F1163 HydrophobicContact CG2-CD1 4.01Å; V1115-F1163 HydrophobicContact CG2-CE1 4.16Å
1116	H	95.2	Very high	89.4	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.9	179.2	-67.1	-98.9	0	0	0	110.2	E1114 R1127 K1128 L1161 I1162 L1231	E1114-H1116 IonicContact OE2-NE2 2.79Å; H1116-R1127 VanDerWaalsContact CA-O 3.32Å; H1116-R1127 WeakPolarHBondContact CA-O 3.46Å; H1116-K1128 VanDerWaalsContact CE1-CD 3.42Å; H1116-K1128 WeakPolarHBondContact CE1-CD 2.87Å; H1116-K1128 VanDerWaalsContact CE1-CG 3.48Å; H1116-K1128 WeakPolarHBondContact CE1-CG 3.46Å; H1116-L1161 CarbonylContact O-C 3.52Å; H1116-L1161 VanDerWaalsContact O-CA 3.3Å; H1116-L1161 WeakPolarHBondContact O-CA 3.34Å; H1116-I1162 HydrophobicContact CB-CB 4.27Å; H1116-I1162 PolarHBondContact N-O 2.89Å; H1116-I1162 PolarHBondContact O-N 3.05Å; H1116-L1231 HydrophobicContact CB-CD1 3.95Å; H1116-L1231 HydrophobicContact CB-CD2 4.4Å
1117	I	94.4	Very high	90	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	134.7	164.7	-161.6	157	0	0	0	108.5	V1091 R1127 F1148 L1150 L1161 L1184	V1091-I1117 HydrophobicContact CB-CD1 4.47Å; V1091-I1117 HydrophobicContact CG2-CD1 4.15Å; I1117-R1127 PolarHBondContact N-O 3.48Å; I1117-R1127 VanDerWaalsContact N-O 3.16Å; I1117-F1148 HydrophobicContact CB-CD1 3.84Å; I1117-F1148 HydrophobicContact CB-CD2 4.35Å; I1117-F1148 HydrophobicContact CB-CE1 3.96Å; I1117-F1148 HydrophobicContact CB-CE2 4.48Å; I1117-F1148 HydrophobicContact CB-CG 4.02Å; I1117-F1148 HydrophobicContact CB-CZ 4.28Å; I1117-F1148 HydrophobicContact CD1-CB 3.85Å; I1117-F1148 HydrophobicContact CD1-CD2 4.29Å; I1117-F1148 HydrophobicContact CD1-CG 4.04Å; I1117-F1148 HydrophobicContact CG2-CB 4.21Å; I1117-F1148 HydrophobicContact CG2-CD1 3.31Å; I1117-F1148 HydrophobicContact CG2-CE1 3.69Å; I1117-F1148 HydrophobicContact CG2-CG 3.83Å; I1117-F1148 HydrophobicContact CG2-CZ 4.49Å; I1117-L1150 HydrophobicContact CD1-CD1 4.09Å; I1117-L1150 HydrophobicContact CD1-CD2 3.79Å; I1117-L1150 HydrophobicContact CD1-CG 4.18Å; I1117-L1150 HydrophobicContact CG1-CD2 4.33Å; I1117-L1161 HydrophobicContact CB-CD2 3.94Å; I1117-L1161 HydrophobicContact CD1-CD2 4.05Å; I1117-L1161 HydrophobicContact CG1-CD2 4.02Å; I1117-L1184 HydrophobicContact CD1-CD1 4.24Å
1118	V	92.8	Very high	90.7	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.2	176.1	-58.6	0	0	0	0	110.6	Y1159 E1160 I1162 F1228 L1231	V1118-Y1159 WeakPolarHBondContact O-CA 3.19Å; V1118-E1160 HydrophobicContact CG2-CG 3.31Å; V1118-E1160 WeakPolarHBondContact CG2-OE1 3.37Å; V1118-E1160 PolarHBondContact N-O 3.33Å; V1118-E1160 PolarHBondContact O-N 3.34Å; V1118-E1160 VanDerWaalsContact O-N 3.08Å; V1118-I1162 HydrophobicContact CG1-CD1 4.28Å; V1118-I1162 HydrophobicContact CG2-CD1 3.8Å; V1118-I1162 HydrophobicContact CG2-CG1 4.34Å; V1118-F1228 HydrophobicContact CB-CD2 3.97Å; V1118-F1228 HydrophobicContact CB-CE2 4.17Å; V1118-F1228 HydrophobicContact CG1-CD2 4.38Å; V1118-F1228 HydrophobicContact CG2-CD2 4.18Å; V1118-F1228 HydrophobicContact CG2-CE2 3.92Å; V1118-L1231 HydrophobicContact CG1-CD1 3.6Å
1119	G	91	Very high	91.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	18%	0.18	C	C	.	.			trans	159.7	-174.7	-172.6	0	0	0	0	0	110.2	Q1122 H1158	G1119-Q1122 WeakPolarHBondContact O-CG 3.35Å; G1119-H1158 WeakPolarHBondContact CA-O 3.46Å
1120	P	89.5	Confident	91.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.196	C	C	.	.	S	Bend	trans	-69.2	162.4	175.6	30.3	-35.6	0	0	0	112.6	D1049 Q1122 D1154 H1158 Y1159	D1049-P1120 HydrophobicContact CB-CB 3.95Å; P1120-Q1122 VanDerWaalsContact C-N 3.31Å; P1120-Q1122 WeakPolarHBondContact O-CG 3.38Å; P1120-Q1122 PolarHBondContact O-N 2.89Å; P1120-Q1122 PolarHBondContact O-NE2 2.92Å; P1120-D1154 WeakPolarHBondContact CB-OD2 3.22Å; P1120-D1154 HydrophobicContact CG-CB 3.71Å; P1120-D1154 WeakPolarHBondContact CG-OD2 3.38Å; P1120-H1158 VanDerWaalsContact CD-O 3.24Å; P1120-H1158 WeakPolarHBondContact CD-O 3.49Å; P1120-H1158 HydrophobicContact CG-CB 4.2Å; P1120-Y1159 HydrophobicContact CG-CE1 4.47Å; P1120-Y1159 HydrophobicContact CG-CE2 4.38Å; P1120-Y1159 PolarHBondContact O-OH 2.88Å
1121	N	86.9	Confident	91.5	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	18%	0.183	S	C	.	.	S	Bend	trans	57.7	37.7	169.1	-63.9	-51.3	0	0	0	114.3	D1049 E1153 D1154	D1049-N1121 PolarHBondContact OD1-N 3.46Å; N1121-E1153 WeakPolarHBondContact CB-OE2 3.44Å; N1121-E1153 VanDerWaalsContact CG-OE2 3.31Å; N1121-D1154 PolarHBondContact ND2-OD2 3.38Å
1122	Q	84.4	Confident	91.5	Very high	3 Å²	3	43 Å²	43	1%	0.014	22%	0.215	C	C	.	.			trans	-101.5	8.9	-176.6	-62	-53.5	-66.8	0	0	115.6	G1119 P1120 D1124 R1125 R1127 V1224	G1119-Q1122 WeakPolarHBondContact O-CG 3.35Å; P1120-Q1122 VanDerWaalsContact C-N 3.31Å; P1120-Q1122 WeakPolarHBondContact O-CG 3.38Å; P1120-Q1122 PolarHBondContact O-N 2.89Å; P1120-Q1122 PolarHBondContact O-NE2 2.92Å; Q1122-D1124 PolarHBondContact O-N 2.86Å; Q1122-R1125 PolarHBondContact O-N 2.89Å; Q1122-R1127 HydrophobicContact CB-CG 4.03Å; Q1122-R1127 WeakPolarHBondContact O-CD 3.36Å; Q1122-R1127 PolarHBondContact O-NE 3.26Å; Q1122-V1224 HydrophobicContact CB-CG1 4.49Å
1123	A	83	Confident	91.4	Very high	57 Å²	57	45.5 Å²	45.5	47%	0.471	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-54.7	-176.6	0	0	0	0	0	112.3	R1127 V1224	A1123-R1127 PolarHBondContact O-NH2 3.2Å; A1123-R1127 VanDerWaalsContact O-NH2 3.08Å; A1123-V1224 HydrophobicContact CB-CG2 4.02Å
1124	D	83.2	Confident	91.2	Very high	166 Å²	166	48.7 Å²	48.7	89%	0.888	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	7.7	-174.3	-58.4	-48.8	0	0	0	114.3	Q1122	Q1122-D1124 PolarHBondContact O-N 2.86Å
1125	R	84.8	Confident	91	Very high	70 Å²	70	52.4 Å²	52.4	26%	0.264	27%	0.269	S	S	.	.	S	Bend	trans	-104.5	151.1	-174	-65.6	-179.9	-176.1	-89.5	-7.8	112.6	Q1122 R1127 I1149 G1151	Q1122-R1125 PolarHBondContact O-N 2.89Å; R1125-R1127 PolarHBondContact O-N 2.91Å; R1125-I1149 PolarHBondContact NH1-O 2.68Å; R1125-G1151 VanDerWaalsContact CZ-N 3.26Å
1126	K	88.4	Confident	90.6	Very high	137 Å²	137	57.1 Å²	57.1	60%	0.596	29%	0.294	S	S	*	.			trans	-76	105.9	176.5	-175.2	176.2	178.7	179.6	0	110.7	K1128 F1129 F1148	K1126-K1128 WeakPolarHBondContact CE-O 3.26Å; K1126-F1129 HydrophobicContact CD-CE1 4.26Å; K1126-F1129 HydrophobicContact CD-CE2 4.14Å; K1126-F1129 HydrophobicContact CD-CZ 3.75Å; K1126-F1129 HydrophobicContact CG-CE2 4.41Å; K1126-F1129 HydrophobicContact CG-CZ 4.49Å; K1126-F1148 WeakPolarHBondContact O-CD1 3.23Å
1127	R	90	Very high	90.4	Very high	43 Å²	43	59.7 Å²	59.7	16%	0.162	31%	0.308	C	S	.	.			trans	-93.4	-3.4	-171.8	-72.4	168.4	-89.3	167.2	-16.4	116.8	H1116 I1117 Q1122 A1123 R1125 E1223	H1116-R1127 VanDerWaalsContact CA-O 3.32Å; H1116-R1127 WeakPolarHBondContact CA-O 3.46Å; I1117-R1127 PolarHBondContact N-O 3.48Å; I1117-R1127 VanDerWaalsContact N-O 3.16Å; Q1122-R1127 HydrophobicContact CB-CG 4.03Å; Q1122-R1127 WeakPolarHBondContact O-CD 3.36Å; Q1122-R1127 PolarHBondContact O-NE 3.26Å; A1123-R1127 PolarHBondContact O-NH2 3.2Å; A1123-R1127 VanDerWaalsContact O-NH2 3.08Å; R1125-R1127 PolarHBondContact O-N 2.91Å; R1127-E1223 PolarHBondContact NH1-O 2.94Å; R1127-E1223 VanDerWaalsContact NH1-O 3.12Å
1128	K	93.1	Very high	90.3	Very high	84 Å²	84	64.6 Å²	64.6	37%	0.365	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	141	-170.1	-175.2	-178	-172.2	176.5	0	114.2	E1114 V1115 H1116 K1126	E1114-K1128 WeakPolarHBondContact OE1-CE 3.38Å; E1114-K1128 IonicContact OE1-NZ 2.98Å; E1114-K1128 PolarHBondContact OE1-NZ 3.03Å; E1114-K1128 WeakPolarHBondContact OE2-CE 3.44Å; E1114-K1128 IonicContact OE2-NZ 2.85Å; E1114-K1128 PolarHBondContact OE2-NZ 3.21Å; V1115-K1128 WeakPolarHBondContact O-CA 3.29Å; H1116-K1128 VanDerWaalsContact CE1-CD 3.42Å; H1116-K1128 WeakPolarHBondContact CE1-CD 2.87Å; H1116-K1128 VanDerWaalsContact CE1-CG 3.48Å; H1116-K1128 WeakPolarHBondContact CE1-CG 3.46Å; K1126-K1128 WeakPolarHBondContact CE-O 3.26Å
1129	F	96	Very high	90.3	Very high	40 Å²	40	66.5 Å²	66.5	18%	0.175	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	167	162.1	-67.5	-96.6	0	0	0	111	E1114 V1115 K1126 F1146 Y1147 F1148	E1114-F1129 WeakPolarHBondContact CA-O 3.45Å; V1115-F1129 PolarHBondContact N-O 2.88Å; V1115-F1129 PolarHBondContact O-N 3.37Å; K1126-F1129 HydrophobicContact CD-CE1 4.26Å; K1126-F1129 HydrophobicContact CD-CE2 4.14Å; K1126-F1129 HydrophobicContact CD-CZ 3.75Å; K1126-F1129 HydrophobicContact CG-CE2 4.41Å; K1126-F1129 HydrophobicContact CG-CZ 4.49Å; F1129-F1146 HydrophobicContact CB-CB 3.95Å; F1129-F1146 HydrophobicContact CB-CD1 3.53Å; F1129-F1146 HydrophobicContact CB-CD2 3.85Å; F1129-F1146 HydrophobicContact CB-CE1 3.94Å; F1129-F1146 HydrophobicContact CB-CE2 4.22Å; F1129-F1146 HydrophobicContact CB-CG 3.48Å; F1129-F1146 VanDerWaalsContact CB-CG 3.48Å; F1129-F1146 HydrophobicContact CB-CZ 4.27Å; F1129-F1146 HydrophobicContact CD1-CB 4.01Å; F1129-F1146 AromaticContact CD1-CD1 3.43Å; F1129-F1146 HydrophobicContact CD1-CD1 3.43Å; F1129-F1146 VanDerWaalsContact CD1-CD1 3.43Å; F1129-F1146 HydrophobicContact CD1-CE1 4.18Å; F1129-F1146 AromaticContact CD1-CG 3.94Å; F1129-F1146 HydrophobicContact CD1-CG 3.94Å; F1129-F1146 HydrophobicContact CD2-CB 3.92Å; F1129-F1146 HydrophobicContact CD2-CG 4.39Å; F1129-F1146 HydrophobicContact CE1-CB 4.44Å; F1129-F1146 HydrophobicContact CE1-CD1 4.27Å; F1129-F1146 HydrophobicContact CE2-CB 4.4Å; F1129-F1146 HydrophobicContact CG-CB 3.72Å; F1129-F1146 AromaticContact CG-CD1 3.67Å; F1129-F1146 HydrophobicContact CG-CD1 3.67Å; F1129-F1146 HydrophobicContact CG-CE1 4.44Å; F1129-F1146 AromaticContact CG-CG 3.71Å; F1129-F1146 HydrophobicContact CG-CG 3.71Å; F1129-Y1147 WeakPolarHBondContact CE2-O 3.48Å; F1129-Y1147 WeakPolarHBondContact CZ-O 3.3Å; F1129-F1148 HydrophobicContact CD2-CD1 4.14Å; F1129-F1148 AromaticContact CD2-CE1 3.53Å; F1129-F1148 HydrophobicContact CD2-CE1 3.53Å; F1129-F1148 HydrophobicContact CD2-CE2 4.33Å; F1129-F1148 AromaticContact CD2-CZ 3.65Å; F1129-F1148 HydrophobicContact CD2-CZ 3.65Å; F1129-F1148 AromaticContact CE2-CD1 3.89Å; F1129-F1148 HydrophobicContact CE2-CD1 3.89Å; F1129-F1148 AromaticContact CE2-CE1 3.76Å; F1129-F1148 HydrophobicContact CE2-CE1 3.76Å; F1129-F1148 HydrophobicContact CE2-CG 4.46Å; F1129-F1148 HydrophobicContact CE2-CZ 4.21Å
1130	A	94.7	Very high	90.4	Very high	41 Å²	41	66.5 Å²	66.5	34%	0.339	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	144.4	176.8	0	0	0	0	0	111.1	F1112 I1113 E1114 F1146	F1112-A1130 HydrophobicContact CD2-CB 4.24Å; F1112-A1130 HydrophobicContact CE2-CB 4.48Å; I1113-A1130 CarbonylContact O-C 3.58Å; I1113-A1130 VanDerWaalsContact O-CA 3.31Å; I1113-A1130 WeakPolarHBondContact O-CA 3.44Å; E1114-A1130 HydrophobicContact CG-CB 4.23Å; A1130-F1146 WeakPolarHBondContact O-CZ 3.3Å
1131	T	96.8	Very high	90.6	Very high	9 Å²	9	74.1 Å²	74.1	6%	0.055	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-78.7	165.2	175.4	64.9	0	0	0	0	112.6	I1095 I1113 F1142 E1144 F1146	I1095-T1131 HydrophobicContact CB-CG2 3.92Å; I1095-T1131 HydrophobicContact CG1-CG2 4.07Å; I1095-T1131 HydrophobicContact CG2-CG2 3.98Å; I1113-T1131 HydrophobicContact CB-CG2 4.21Å; I1113-T1131 PolarHBondContact N-OG1 2.9Å; I1113-T1131 PolarHBondContact O-N 2.83Å; T1131-F1142 VanDerWaalsContact CB-CD1 3.48Å; T1131-F1142 HydrophobicContact CG2-CB 4.09Å; T1131-F1142 HydrophobicContact CG2-CD1 4.09Å; T1131-F1142 HydrophobicContact CG2-CG 4Å; T1131-F1142 WeakPolarHBondContact OG1-CD1 3.43Å; T1131-F1142 WeakPolarHBondContact OG1-CE1 2.91Å; T1131-E1144 HydrophobicContact CG2-CB 4.36Å; T1131-F1146 HydrophobicContact CG2-CE2 3.88Å; T1131-F1146 HydrophobicContact CG2-CZ 3.98Å
1132	K	94	Very high	91	Very high	154 Å²	154	72 Å²	72	67%	0.67	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-71.4	131.2	171.9	-64.2	172.2	-175.3	174.8	0	110.8	F1142 E1144	K1132-F1142 WeakPolarHBondContact O-CD1 3.23Å; K1132-F1142 VanDerWaalsContact O-CE1 3.31Å; K1132-F1142 WeakPolarHBondContact O-CE1 3.34Å; K1132-E1144 WeakPolarHBondContact CB-OE1 3.34Å; K1132-E1144 PolarHBondContact N-OE1 2.98Å; K1132-E1144 PolarHBondContact N-OE2 2.94Å
1133	T	93	Very high	91.5	Very high	63 Å²	63	77 Å²	77	39%	0.387	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-54.8	138.3	176.5	57.1	0	0	0	0	112.7	P1111 F1112 Y1168	P1111-T1133 WeakPolarHBondContact O-CA 3.39Å; F1112-T1133 HydrophobicContact CB-CG2 4.03Å; F1112-T1133 HydrophobicContact CD1-CG2 3.95Å; F1112-T1133 HydrophobicContact CG-CG2 4.16Å; T1133-Y1168 HydrophobicContact CG2-CD2 4.43Å; T1133-Y1168 HydrophobicContact CG2-CG 4.02Å
1134	K	92.8	Very high	92.2	Very high	68 Å²	68	76 Å²	76	30%	0.296	38%	0.376	S	S	.	.			trans	-112.2	124.4	173.6	-58.3	-70	168.8	145.6	0	109.7	R1110 P1111 P1140 K1141 F1142	R1110-K1134 WeakPolarHBondContact CA-O 3.32Å; P1111-K1134 WeakPolarHBondContact CD-O 3.33Å; P1111-K1134 PolarHBondContact O-N 3.06Å; K1134-P1140 HydrophobicContact CB-CB 3.85Å; K1134-P1140 HydrophobicContact CG-CB 3.79Å; K1134-K1141 WeakPolarHBondContact CE-O 3.46Å; K1134-K1141 PolarHBondContact NZ-O 3.18Å; K1134-F1142 HydrophobicContact CG-CD1 4.06Å; K1134-F1142 HydrophobicContact CG-CE1 3.69Å; K1134-F1142 HydrophobicContact CG-CZ 4.37Å
1135	T	90.9	Very high	92.8	Very high	91 Å²	91	70.8 Å²	70.8	56%	0.558	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	130.3	-176.5	-51	0	0	0	0	111.8	V1108 R1110 N1137	V1108-T1135 HydrophobicContact CG1-CG2 3.57Å; R1110-T1135 HydrophobicContact CG-CG2 4.5Å; T1135-N1137 PolarHBondContact O-N 3.35Å
1136	N	89	Confident	93.3	Very high	99 Å²	99	68.3 Å²	68.3	53%	0.529	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	46.5	170.1	-156.6	65.6	0	0	0	114.8	F1109 W1138	F1109-N1136 WeakPolarHBondContact O-CA 3.25Å; F1109-N1136 PolarHBondContact O-N 3.15Å; N1136-W1138 WeakPolarHBondContact OD1-CH2 3.37Å; N1136-W1138 WeakPolarHBondContact OD1-CZ3 3.29Å
1137	N	90	Very high	93.5	Very high	60 Å²	60	67.5 Å²	67.5	32%	0.321	34%	0.336	S	S	.	.			trans	-136	115.6	-173.9	-172.9	-11.1	0	0	0	112.1	F1109 P1111 T1135 A1139	F1109-N1137 WeakPolarHBondContact CE1-O 3.15Å; P1111-N1137 WeakPolarHBondContact CG-O 3.45Å; T1135-N1137 PolarHBondContact O-N 3.35Å; N1137-A1139 WeakPolarHBondContact OD1-CA 3.38Å; N1137-A1139 PolarHBondContact OD1-N 2.81Å; N1137-A1139 PolarHBondContact OD1-O 3.21Å
1138	W	91.6	Very high	93.7	Very high	104 Å²	104	65.6 Å²	65.6	39%	0.394	33%	0.329	S	S	.	.	S	Bend	trans	-84.3	-8.3	179.3	-74.7	-111.4	0	0	0	114.3	L1101 W1103 F1109 N1136 P1140	L1101-W1138 PolarHBondContact N-O 3.27Å; W1103-W1138 PolarHBondContact O-NE1 3.23Å; F1109-W1138 HydrophobicContact CB-CH2 3.85Å; F1109-W1138 HydrophobicContact CB-CZ2 4Å; F1109-W1138 HydrophobicContact CB-CZ3 4.47Å; F1109-W1138 AromaticContact CD1-CD2 3.6Å; F1109-W1138 HydrophobicContact CD1-CD2 3.6Å; F1109-W1138 AromaticContact CD1-CE2 3.5Å; F1109-W1138 VanDerWaalsContact CD1-CE2 3.5Å; F1109-W1138 AromaticContact CD1-CE3 3.82Å; F1109-W1138 HydrophobicContact CD1-CE3 3.82Å; F1109-W1138 HydrophobicContact CD1-CG 4.23Å; F1109-W1138 AromaticContact CD1-CH2 3.82Å; F1109-W1138 HydrophobicContact CD1-CH2 3.82Å; F1109-W1138 AromaticContact CD1-CZ2 3.61Å; F1109-W1138 HydrophobicContact CD1-CZ2 3.61Å; F1109-W1138 AromaticContact CD1-CZ3 3.92Å; F1109-W1138 HydrophobicContact CD1-CZ3 3.92Å; F1109-W1138 AromaticContact CE1-CD2 3.73Å; F1109-W1138 HydrophobicContact CE1-CD2 3.73Å; F1109-W1138 AromaticContact CE1-CE2 3.78Å; F1109-W1138 HydrophobicContact CE1-CE3 4.29Å; F1109-W1138 AromaticContact CE1-CG 3.85Å; F1109-W1138 HydrophobicContact CE1-CG 3.85Å; F1109-W1138 HydrophobicContact CE1-CZ2 4.34Å; F1109-W1138 AromaticContact CE1-NE1 3.94Å; F1109-W1138 HydrophobicContact CG-CH2 4.23Å; F1109-W1138 HydrophobicContact CG-CZ2 4.02Å; N1136-W1138 WeakPolarHBondContact OD1-CH2 3.37Å; N1136-W1138 WeakPolarHBondContact OD1-CZ3 3.29Å; W1138-P1140 VanDerWaalsContact C-CD 3.49Å
1139	A	93.5	Very high	93.5	Very high	48 Å²	48	66.2 Å²	66.2	40%	0.397	34%	0.335	S	S	.	.	S	Bend	trans	-130.6	63.4	171.6	0	0	0	0	0	111.4	A1098 N1137	A1098-A1139 CarbonylContact O-C 3.53Å; A1098-A1139 WeakPolarHBondContact O-CA 3.48Å; N1137-A1139 WeakPolarHBondContact OD1-CA 3.38Å; N1137-A1139 PolarHBondContact OD1-N 2.81Å; N1137-A1139 PolarHBondContact OD1-O 3.21Å
1140	P	93.8	Very high	93.2	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.327	C	S	.	.			trans	-71.7	130.4	-171.7	29	-35.1	0	0	0	113.1	A1097 A1098 L1101 P1111 K1134 W1138 F1142	A1097-P1140 CarbonylContact C-O 3.59Å; A1097-P1140 WeakPolarHBondContact CA-O 3.49Å; A1098-P1140 HydrophobicContact CB-CG 4.13Å; A1098-P1140 PolarHBondContact N-O 3.45Å; A1098-P1140 WeakPolarHBondContact O-CD 3.49Å; L1101-P1140 HydrophobicContact CD1-CG 3.86Å; P1111-P1140 HydrophobicContact CB-CG 4.35Å; P1111-P1140 HydrophobicContact CG-CG 4.09Å; K1134-P1140 HydrophobicContact CB-CB 3.85Å; K1134-P1140 HydrophobicContact CG-CB 3.79Å; W1138-P1140 VanDerWaalsContact C-CD 3.49Å; P1140-F1142 HydrophobicContact CB-CE1 4.27Å; P1140-F1142 HydrophobicContact CB-CE2 3.84Å; P1140-F1142 HydrophobicContact CB-CZ 3.64Å; P1140-F1142 HydrophobicContact CG-CE2 3.63Å; P1140-F1142 HydrophobicContact CG-CZ 3.6Å
1141	K	94	Very high	92.6	Very high	162 Å²	162	62.5 Å²	62.5	70%	0.704	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.1	168.7	-63.4	-174.9	178.5	-178.4	0	110.4	A1097 K1134	A1097-K1141 HydrophobicContact CB-CG 4.1Å; K1134-K1141 WeakPolarHBondContact CE-O 3.46Å; K1134-K1141 PolarHBondContact NZ-O 3.18Å
1142	F	94.6	Very high	92	Very high	14 Å²	14	67.5 Å²	67.5	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-59.2	-177.7	-59.8	-79	0	0	0	111.2	I1095 L1096 A1098 I1113 T1131 K1132 K1134 P1140 E1144	I1095-F1142 HydrophobicContact CG2-CB 4.28Å; I1095-F1142 HydrophobicContact CG2-CD2 3.84Å; I1095-F1142 HydrophobicContact CG2-CG 4.34Å; L1096-F1142 PolarHBondContact O-N 3.03Å; A1098-F1142 HydrophobicContact CB-CE2 4.38Å; I1113-F1142 HydrophobicContact CD1-CE2 4.33Å; I1113-F1142 HydrophobicContact CG1-CD2 4.23Å; I1113-F1142 HydrophobicContact CG1-CE2 3.61Å; I1113-F1142 HydrophobicContact CG1-CZ 4.01Å; T1131-F1142 VanDerWaalsContact CB-CD1 3.48Å; T1131-F1142 HydrophobicContact CG2-CB 4.09Å; T1131-F1142 HydrophobicContact CG2-CD1 4.09Å; T1131-F1142 HydrophobicContact CG2-CG 4Å; T1131-F1142 WeakPolarHBondContact OG1-CD1 3.43Å; T1131-F1142 WeakPolarHBondContact OG1-CE1 2.91Å; K1132-F1142 WeakPolarHBondContact O-CD1 3.23Å; K1132-F1142 VanDerWaalsContact O-CE1 3.31Å; K1132-F1142 WeakPolarHBondContact O-CE1 3.34Å; K1134-F1142 HydrophobicContact CG-CD1 4.06Å; K1134-F1142 HydrophobicContact CG-CE1 3.69Å; K1134-F1142 HydrophobicContact CG-CZ 4.37Å; P1140-F1142 HydrophobicContact CB-CE1 4.27Å; P1140-F1142 HydrophobicContact CB-CE2 3.84Å; P1140-F1142 HydrophobicContact CB-CZ 3.64Å; P1140-F1142 HydrophobicContact CG-CE2 3.63Å; P1140-F1142 HydrophobicContact CG-CZ 3.6Å; F1142-E1144 HydrophobicContact CB-CG 4.45Å
1143	N	94.3	Very high	91.5	Very high	108 Å²	108	66.2 Å²	66.2	58%	0.578	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.9	49.9	-173.7	-162.7	36.8	0	0	0	112.7	K1094 I1095 L1096	K1094-N1143 VanDerWaalsContact CE-OD1 3.23Å; K1094-N1143 WeakPolarHBondContact CE-OD1 3.49Å; I1095-N1143 VanDerWaalsContact O-CA 3.23Å; I1095-N1143 WeakPolarHBondContact O-CA 3.39Å; I1095-N1143 PolarHBondContact O-N 3.25Å; L1096-N1143 PolarHBondContact O-N 3.34Å
1144	E	97	Very high	91.1	Very high	35 Å²	35	64.1 Å²	64.1	16%	0.164	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.1	-178.5	-66.4	-179.9	-127.2	0	0	110.6	K1094 I1095 T1131 K1132 F1142 F1146	K1094-E1144 CarbonylContact C-O 3.49Å; K1094-E1144 WeakPolarHBondContact CA-O 3.36Å; I1095-E1144 PolarHBondContact N-O 3.36Å; I1095-E1144 PolarHBondContact O-N 2.88Å; I1095-E1144 VanDerWaalsContact O-N 3.12Å; T1131-E1144 HydrophobicContact CG2-CB 4.36Å; K1132-E1144 WeakPolarHBondContact CB-OE1 3.34Å; K1132-E1144 PolarHBondContact N-OE1 2.98Å; K1132-E1144 PolarHBondContact N-OE2 2.94Å; F1142-E1144 HydrophobicContact CB-CG 4.45Å; E1144-F1146 HydrophobicContact CB-CZ 4.13Å
1145	T	95.8	Very high	90.7	Very high	56 Å²	56	65.8 Å²	65.8	34%	0.344	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.3	-177.3	-53.1	0	0	0	0	111.6	T1092 V1093 K1094 Y1147	T1092-T1145 HydrophobicContact CG2-CG2 3.65Å; V1093-T1145 CarbonylContact O-C 3.56Å; V1093-T1145 WeakPolarHBondContact O-CA 3.38Å; K1094-T1145 HydrophobicContact CB-CG2 4.32Å; K1094-T1145 WeakPolarHBondContact CG-OG1 3.45Å; T1145-Y1147 HydrophobicContact CG2-CE1 4.04Å; T1145-Y1147 HydrophobicContact CG2-CE2 4.44Å
1146	F	95.7	Very high	90.4	Very high	19 Å²	19	62.3 Å²	62.3	8%	0.083	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	160.8	178.2	-52.7	-57.2	0	0	0	110.9	V1093 I1095 V1115 F1129 A1130 T1131 E1144	V1093-F1146 PolarHBondContact N-O 3.41Å; V1093-F1146 PolarHBondContact O-N 3.45Å; I1095-F1146 HydrophobicContact CG1-CD2 4.39Å; I1095-F1146 HydrophobicContact CG1-CE2 4.08Å; V1115-F1146 HydrophobicContact CG2-CD2 4.2Å; V1115-F1146 HydrophobicContact CG2-CE2 4.34Å; F1129-F1146 HydrophobicContact CB-CB 3.95Å; F1129-F1146 HydrophobicContact CB-CD1 3.53Å; F1129-F1146 HydrophobicContact CB-CD2 3.85Å; F1129-F1146 HydrophobicContact CB-CE1 3.94Å; F1129-F1146 HydrophobicContact CB-CE2 4.22Å; F1129-F1146 HydrophobicContact CB-CG 3.48Å; F1129-F1146 VanDerWaalsContact CB-CG 3.48Å; F1129-F1146 HydrophobicContact CB-CZ 4.27Å; F1129-F1146 HydrophobicContact CD1-CB 4.01Å; F1129-F1146 AromaticContact CD1-CD1 3.43Å; F1129-F1146 HydrophobicContact CD1-CD1 3.43Å; F1129-F1146 VanDerWaalsContact CD1-CD1 3.43Å; F1129-F1146 HydrophobicContact CD1-CE1 4.18Å; F1129-F1146 AromaticContact CD1-CG 3.94Å; F1129-F1146 HydrophobicContact CD1-CG 3.94Å; F1129-F1146 HydrophobicContact CD2-CB 3.92Å; F1129-F1146 HydrophobicContact CD2-CG 4.39Å; F1129-F1146 HydrophobicContact CE1-CB 4.44Å; F1129-F1146 HydrophobicContact CE1-CD1 4.27Å; F1129-F1146 HydrophobicContact CE2-CB 4.4Å; F1129-F1146 HydrophobicContact CG-CB 3.72Å; F1129-F1146 AromaticContact CG-CD1 3.67Å; F1129-F1146 HydrophobicContact CG-CD1 3.67Å; F1129-F1146 HydrophobicContact CG-CE1 4.44Å; F1129-F1146 AromaticContact CG-CG 3.71Å; F1129-F1146 HydrophobicContact CG-CG 3.71Å; A1130-F1146 WeakPolarHBondContact O-CZ 3.3Å; T1131-F1146 HydrophobicContact CG2-CE2 3.88Å; T1131-F1146 HydrophobicContact CG2-CZ 3.98Å; E1144-F1146 HydrophobicContact CB-CZ 4.13Å
1147	Y	93	Very high	90.3	Very high	120 Å²	120	62 Å²	62	47%	0.471	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.3	-178.3	-51.8	-79.8	0	0	0	110.4	K1090 V1091 T1092 F1129 T1145	K1090-Y1147 VanDerWaalsContact CE-CD1 3.49Å; V1091-Y1147 WeakPolarHBondContact O-CA 3.09Å; T1092-Y1147 HydrophobicContact CG2-CD1 3.81Å; T1092-Y1147 HydrophobicContact CG2-CE1 3.52Å; F1129-Y1147 WeakPolarHBondContact CE2-O 3.48Å; F1129-Y1147 WeakPolarHBondContact CZ-O 3.3Å; T1145-Y1147 HydrophobicContact CG2-CE1 4.04Å; T1145-Y1147 HydrophobicContact CG2-CE2 4.44Å
1148	F	93.1	Very high	90.3	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.009	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.8	169	-56.5	-84.3	0	0	0	110	K1090 V1091 V1093 V1115 I1117 K1126 F1129 L1161	K1090-F1148 WeakPolarHBondContact CA-O 3.44Å; V1091-F1148 HydrophobicContact CB-CB 4.28Å; V1091-F1148 PolarHBondContact N-O 3.29Å; V1091-F1148 PolarHBondContact O-N 3.27Å; V1093-F1148 HydrophobicContact CG2-CD2 4.1Å; V1093-F1148 HydrophobicContact CG2-CE2 4Å; V1115-F1148 HydrophobicContact CB-CZ 4.39Å; V1115-F1148 HydrophobicContact CG1-CE2 3.89Å; V1115-F1148 HydrophobicContact CG1-CZ 3.96Å; I1117-F1148 HydrophobicContact CB-CD1 3.84Å; I1117-F1148 HydrophobicContact CB-CD2 4.35Å; I1117-F1148 HydrophobicContact CB-CE1 3.96Å; I1117-F1148 HydrophobicContact CB-CE2 4.48Å; I1117-F1148 HydrophobicContact CB-CG 4.02Å; I1117-F1148 HydrophobicContact CB-CZ 4.28Å; I1117-F1148 HydrophobicContact CD1-CB 3.85Å; I1117-F1148 HydrophobicContact CD1-CD2 4.29Å; I1117-F1148 HydrophobicContact CD1-CG 4.04Å; I1117-F1148 HydrophobicContact CG2-CB 4.21Å; I1117-F1148 HydrophobicContact CG2-CD1 3.31Å; I1117-F1148 HydrophobicContact CG2-CE1 3.69Å; I1117-F1148 HydrophobicContact CG2-CG 3.83Å; I1117-F1148 HydrophobicContact CG2-CZ 4.49Å; K1126-F1148 WeakPolarHBondContact O-CD1 3.23Å; F1129-F1148 HydrophobicContact CD2-CD1 4.14Å; F1129-F1148 AromaticContact CD2-CE1 3.53Å; F1129-F1148 HydrophobicContact CD2-CE1 3.53Å; F1129-F1148 HydrophobicContact CD2-CE2 4.33Å; F1129-F1148 AromaticContact CD2-CZ 3.65Å; F1129-F1148 HydrophobicContact CD2-CZ 3.65Å; F1129-F1148 AromaticContact CE2-CD1 3.89Å; F1129-F1148 HydrophobicContact CE2-CD1 3.89Å; F1129-F1148 AromaticContact CE2-CE1 3.76Å; F1129-F1148 HydrophobicContact CE2-CE1 3.76Å; F1129-F1148 HydrophobicContact CE2-CG 4.46Å; F1129-F1148 HydrophobicContact CE2-CZ 4.21Å; F1148-L1161 HydrophobicContact CD2-CD2 4.02Å; F1148-L1161 HydrophobicContact CE2-CD2 3.7Å; F1148-L1161 HydrophobicContact CZ-CD2 4.38Å
1149	I	89.9	Confident	90.4	Very high	98 Å²	98	55 Å²	55	50%	0.503	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	114.5	178.8	-55.5	176.3	0	0	0	108.3	R1125	R1125-I1149 PolarHBondContact NH1-O 2.68Å
1150	L	89.1	Confident	90.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	157.5	178.1	-56.3	178.5	0	0	0	110.8	H1089 V1091 I1117 L1156 Y1159 L1184	H1089-L1150 HydrophobicContact CB-CB 4.23Å; H1089-L1150 PolarHBondContact N-O 2.67Å; H1089-L1150 PolarHBondContact O-N 2.74Å; V1091-L1150 HydrophobicContact CG2-CD1 4.01Å; V1091-L1150 HydrophobicContact CG2-CG 4.4Å; I1117-L1150 HydrophobicContact CD1-CD1 4.09Å; I1117-L1150 HydrophobicContact CD1-CD2 3.79Å; I1117-L1150 HydrophobicContact CD1-CG 4.18Å; I1117-L1150 HydrophobicContact CG1-CD2 4.33Å; L1150-L1156 HydrophobicContact CD1-CD2 3.75Å; L1150-Y1159 HydrophobicContact CD1-CD1 3.91Å; L1150-Y1159 HydrophobicContact CD1-CD2 4.06Å; L1150-Y1159 HydrophobicContact CD1-CE1 4.23Å; L1150-Y1159 HydrophobicContact CD1-CE2 4.34Å; L1150-Y1159 HydrophobicContact CD1-CG 3.82Å; L1150-Y1159 HydrophobicContact CD2-CD1 3.81Å; L1150-Y1159 HydrophobicContact CD2-CE1 3.68Å; L1150-Y1159 HydrophobicContact CG-CD1 4.48Å; L1150-Y1159 HydrophobicContact CG-CE1 4.45Å; L1150-L1184 HydrophobicContact CD1-CD1 4.24Å
1151	G	83.4	Confident	90.4	Very high	3 Å²	3	52.8 Å²	52.8	3%	0.031	26%	0.257	C	S	.	.			trans	-79	-175.7	176.9	0	0	0	0	0	112.5	R1125	R1125-G1151 VanDerWaalsContact CZ-N 3.26Å
1152	N	83.1	Confident	90.4	Very high	114 Å²	114	45 Å²	45	61%	0.61	22%	0.224	S	C	*	.	S	Bend	trans	-104.8	14.1	174	63.3	-9	0	0	0	112.6	T1086	T1086-N1152 PolarHBondContact O-ND2 2.87Å
1153	E	83.2	Confident	90.4	Very high	127 Å²	127	44.4 Å²	44.4	59%	0.593	22%	0.221	S	C	*	.	S	Bend	trans	-86.4	-24.5	-174	-63.2	174.2	154.1	0	0	113.4	N1121	N1121-E1153 WeakPolarHBondContact CB-OE2 3.44Å; N1121-E1153 VanDerWaalsContact CG-OE2 3.31Å
1154	D	84.3	Confident	90.4	Very high	18 Å²	18	39.2 Å²	39.2	10%	0.096	19%	0.194	C	C	.	.	S	Bend	trans	-143	142.9	-177	-72.5	-77.8	0	0	0	111.2	K1053 P1120 N1121 Y1159	K1053-D1154 WeakPolarHBondContact CE-OD1 3.47Å; K1053-D1154 IonicContact NZ-OD1 2.81Å; K1053-D1154 PolarHBondContact NZ-OD1 3.45Å; P1120-D1154 WeakPolarHBondContact CB-OD2 3.22Å; P1120-D1154 HydrophobicContact CG-CB 3.71Å; P1120-D1154 WeakPolarHBondContact CG-OD2 3.38Å; N1121-D1154 PolarHBondContact ND2-OD2 3.38Å; D1154-Y1159 HydrophobicContact CB-CE2 4.02Å
1155	D	84.5	Confident	90.2	Very high	103 Å²	103	37.6 Å²	37.6	55%	0.551	19%	0.186	S	C	*	.			trans	-63.6	148.3	176.9	-56.3	-72.8	0	0	0	113.2	E1157 H1158 Y1159	D1155-E1157 HydrophobicContact CB-CG 3.95Å; D1155-E1157 PolarHBondContact O-N 3.42Å; D1155-H1158 PolarHBondContact O-N 2.81Å; D1155-H1158 PolarHBondContact O-ND1 3.4Å; D1155-Y1159 WeakPolarHBondContact O-CD2 3.34Å
1156	L	85.6	Confident	90.1	Very high	18 Å²	18	35.2 Å²	35.2	9%	0.094	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-54	-23.2	178.4	-74.8	174.8	0	0	0	114.5	L1080 H1089 L1150 H1158 Y1159 L1184 V1188	L1080-L1156 HydrophobicContact CD1-CD1 4.37Å; H1089-L1156 HydrophobicContact CB-CD2 3.84Å; L1150-L1156 HydrophobicContact CD1-CD2 3.75Å; L1156-H1158 PolarHBondContact O-N 3.12Å; L1156-Y1159 PolarHBondContact O-N 3.02Å; L1156-L1184 HydrophobicContact CD2-CD1 4.27Å; L1156-L1184 WeakPolarHBondContact O-CB 3.45Å; L1156-V1188 HydrophobicContact CB-CG2 4.15Å
1157	E	86.8	Confident	89.9	Confident	92 Å²	92	34.4 Å²	34.4	43%	0.43	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-64.6	-18	176.2	63.5	170.3	-172.9	0	0	114.4	D1155 Y1159 R1185	D1155-E1157 HydrophobicContact CB-CG 3.95Å; D1155-E1157 PolarHBondContact O-N 3.42Å; E1157-Y1159 VanDerWaalsContact C-N 3.29Å; E1157-R1185 HydrophobicContact CB-CB 3.76Å
1158	H	90.8	Very high	89.8	Confident	17 Å²	17	32.6 Å²	32.6	8%	0.079	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-91.5	13	177.9	-57.6	102.4	0	0	0	113.3	K1053 I1056 G1119 P1120 D1155 L1156	K1053-H1158 WeakPolarHBondContact CE-CE1 3.41Å; K1053-H1158 WeakPolarHBondContact CE-NE2 3.4Å; K1053-H1158 HydrophobicContact CG-CB 4.27Å; K1053-H1158 WeakPolarHBondContact CG-CD2 3.42Å; I1056-H1158 WeakPolarHBondContact CD1-O 3.3Å; G1119-H1158 WeakPolarHBondContact CA-O 3.46Å; P1120-H1158 VanDerWaalsContact CD-O 3.24Å; P1120-H1158 WeakPolarHBondContact CD-O 3.49Å; P1120-H1158 HydrophobicContact CG-CB 4.2Å; D1155-H1158 PolarHBondContact O-N 2.81Å; D1155-H1158 PolarHBondContact O-ND1 3.4Å; L1156-H1158 PolarHBondContact O-N 3.12Å
1159	Y	92.4	Very high	89.2	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.008	17%	0.167	C	C	.	.			trans	-127.1	149.7	-177.8	-66.1	-86.5	0	0	0	112.2	V1118 P1120 L1150 D1154 D1155 L1156 E1157 L1184	V1118-Y1159 WeakPolarHBondContact O-CA 3.19Å; P1120-Y1159 HydrophobicContact CG-CE1 4.47Å; P1120-Y1159 HydrophobicContact CG-CE2 4.38Å; P1120-Y1159 PolarHBondContact O-OH 2.88Å; L1150-Y1159 HydrophobicContact CD1-CD1 3.91Å; L1150-Y1159 HydrophobicContact CD1-CD2 4.06Å; L1150-Y1159 HydrophobicContact CD1-CE1 4.23Å; L1150-Y1159 HydrophobicContact CD1-CE2 4.34Å; L1150-Y1159 HydrophobicContact CD1-CG 3.82Å; L1150-Y1159 HydrophobicContact CD2-CD1 3.81Å; L1150-Y1159 HydrophobicContact CD2-CE1 3.68Å; L1150-Y1159 HydrophobicContact CG-CD1 4.48Å; L1150-Y1159 HydrophobicContact CG-CE1 4.45Å; D1154-Y1159 HydrophobicContact CB-CE2 4.02Å; D1155-Y1159 WeakPolarHBondContact O-CD2 3.34Å; L1156-Y1159 PolarHBondContact O-N 3.02Å; E1157-Y1159 VanDerWaalsContact C-N 3.29Å; Y1159-L1184 WeakPolarHBondContact O-CB 3.31Å; Y1159-L1184 PolarHBondContact O-N 2.91Å
1160	E	93	Very high	88.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	152.4	177.7	63.4	-175.5	164.8	0	0	110.9	I1056 V1118 V1181 L1182 Q1183 K1232	I1056-E1160 HydrophobicContact CD1-CG 4.32Å; V1118-E1160 HydrophobicContact CG2-CG 3.31Å; V1118-E1160 WeakPolarHBondContact CG2-OE1 3.37Å; V1118-E1160 PolarHBondContact N-O 3.33Å; V1118-E1160 PolarHBondContact O-N 3.34Å; V1118-E1160 VanDerWaalsContact O-N 3.08Å; E1160-V1181 HydrophobicContact CB-CG1 4.3Å; E1160-V1181 WeakPolarHBondContact OE2-CG1 3.32Å; E1160-L1182 WeakPolarHBondContact CA-O 3.28Å; E1160-Q1183 HydrophobicContact CB-CG 4.43Å; E1160-K1232 WeakPolarHBondContact OE1-CE 3.43Å; E1160-K1232 IonicContact OE1-NZ 2.7Å; E1160-K1232 PolarHBondContact OE1-NZ 2.97Å; E1160-K1232 IonicContact OE2-NZ 3.55Å; E1160-K1232 PolarHBondContact OE2-NZ 2.89Å
1161	L	94	Very high	87.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.1	172	-71.3	169.6	0	0	0	109.5	V1078 V1091 V1093 V1115 H1116 I1117 F1148 F1163 V1181 L1182 L1184	V1078-L1161 HydrophobicContact CG1-CD1 4.29Å; V1078-L1161 HydrophobicContact CG2-CD1 4.22Å; V1091-L1161 HydrophobicContact CG1-CD1 4.11Å; V1093-L1161 HydrophobicContact CG2-CD1 3.59Å; V1093-L1161 HydrophobicContact CG2-CD2 4.17Å; V1115-L1161 HydrophobicContact CG1-CD2 4.25Å; H1116-L1161 CarbonylContact O-C 3.52Å; H1116-L1161 VanDerWaalsContact O-CA 3.3Å; H1116-L1161 WeakPolarHBondContact O-CA 3.34Å; I1117-L1161 HydrophobicContact CB-CD2 3.94Å; I1117-L1161 HydrophobicContact CD1-CD2 4.05Å; I1117-L1161 HydrophobicContact CG1-CD2 4.02Å; F1148-L1161 HydrophobicContact CD2-CD2 4.02Å; F1148-L1161 HydrophobicContact CE2-CD2 3.7Å; F1148-L1161 HydrophobicContact CZ-CD2 4.38Å; L1161-F1163 HydrophobicContact CB-CE2 3.66Å; L1161-F1163 HydrophobicContact CB-CZ 3.89Å; L1161-F1163 HydrophobicContact CD1-CZ 4.26Å; L1161-V1181 CarbonylContact O-C 3.58Å; L1161-V1181 WeakPolarHBondContact O-CA 3.43Å; L1161-L1182 HydrophobicContact CB-CB 4.43Å; L1161-L1182 HydrophobicContact CB-CD2 4.49Å; L1161-L1182 HydrophobicContact CD1-CD2 4.14Å; L1161-L1182 PolarHBondContact N-O 2.81Å; L1161-L1182 PolarHBondContact O-N 2.83Å; L1161-L1184 HydrophobicContact CD1-CD2 3.98Å; L1161-L1184 HydrophobicContact CG-CD2 4.17Å
1162	I	94	Very high	87.1	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.1	175.8	-57.3	174.4	0	0	0	108.4	H1116 V1118 Q1164 V1179 V1181 L1231 K1232	H1116-I1162 HydrophobicContact CB-CB 4.27Å; H1116-I1162 PolarHBondContact N-O 2.89Å; H1116-I1162 PolarHBondContact O-N 3.05Å; V1118-I1162 HydrophobicContact CG1-CD1 4.28Å; V1118-I1162 HydrophobicContact CG2-CD1 3.8Å; V1118-I1162 HydrophobicContact CG2-CG1 4.34Å; I1162-Q1164 HydrophobicContact CG2-CG 4.34Å; I1162-V1179 HydrophobicContact CG2-CG2 3.75Å; I1162-V1181 HydrophobicContact CG1-CG2 4.47Å; I1162-L1231 HydrophobicContact CD1-CB 4Å; I1162-L1231 HydrophobicContact CD1-CD1 4.5Å; I1162-K1232 HydrophobicContact CD1-CD 4.43Å
1163	F	95	Very high	86.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.1	179.1	-57.6	-95.1	0	0	0	109	V1076 V1093 I1095 E1114 V1115 L1161 V1179 G1180 L1182 V1197	V1076-F1163 HydrophobicContact CB-CE1 4.4Å; V1076-F1163 HydrophobicContact CG1-CE1 3.85Å; V1076-F1163 HydrophobicContact CG1-CZ 3.95Å; V1076-F1163 HydrophobicContact CG2-CD1 4.08Å; V1076-F1163 HydrophobicContact CG2-CE1 3.66Å; V1076-F1163 HydrophobicContact CG2-CZ 4.08Å; V1093-F1163 HydrophobicContact CG1-CE1 3.95Å; V1093-F1163 HydrophobicContact CG1-CZ 4.27Å; I1095-F1163 HydrophobicContact CD1-CD1 3.96Å; I1095-F1163 HydrophobicContact CD1-CE1 3.75Å; E1114-F1163 WeakPolarHBondContact O-CA 3.4Å; V1115-F1163 HydrophobicContact CG1-CD1 4.2Å; V1115-F1163 HydrophobicContact CG1-CE1 3.88Å; V1115-F1163 HydrophobicContact CG1-CZ 4.45Å; V1115-F1163 HydrophobicContact CG2-CD1 4.01Å; V1115-F1163 HydrophobicContact CG2-CE1 4.16Å; L1161-F1163 HydrophobicContact CB-CE2 3.66Å; L1161-F1163 HydrophobicContact CB-CZ 3.89Å; L1161-F1163 HydrophobicContact CD1-CZ 4.26Å; F1163-V1179 CarbonylContact O-C 3.15Å; F1163-V1179 VanDerWaalsContact O-CA 3.3Å; F1163-V1179 WeakPolarHBondContact O-CA 3.34Å; F1163-G1180 PolarHBondContact N-O 2.86Å; F1163-G1180 PolarHBondContact O-N 2.9Å; F1163-L1182 HydrophobicContact CE2-CB 3.76Å; F1163-V1197 HydrophobicContact CD2-CB 4.43Å; F1163-V1197 HydrophobicContact CD2-CG1 3.88Å; F1163-V1197 HydrophobicContact CD2-CG2 4.15Å; F1163-V1197 HydrophobicContact CE2-CG1 4.49Å; F1163-V1197 HydrophobicContact CE2-CG2 4.02Å; F1163-V1197 HydrophobicContact CG-CG1 4.42Å; F1163-V1197 HydrophobicContact CZ-CG2 4.49Å
1164	Q	94	Very high	86.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.5	177	-69.9	-174.5	-30.2	0	0	109.7	I1113 E1114 I1162 K1166 L1176 V1179 E1234	I1113-Q1164 WeakPolarHBondContact CA-O 3.34Å; E1114-Q1164 HydrophobicContact CB-CB 4.37Å; E1114-Q1164 PolarHBondContact N-O 2.85Å; E1114-Q1164 PolarHBondContact O-N 2.88Å; I1162-Q1164 HydrophobicContact CG2-CG 4.34Å; Q1164-K1166 HydrophobicContact CB-CG 4.48Å; Q1164-L1176 HydrophobicContact CB-CD1 3.64Å; Q1164-L1176 HydrophobicContact CG-CD1 3.83Å; Q1164-V1179 HydrophobicContact CG-CB 4.34Å; Q1164-V1179 HydrophobicContact CG-CG2 3.94Å; Q1164-E1234 PolarHBondContact NE2-OE2 2.93Å; Q1164-E1234 PolarHBondContact OE1-OE2 3.12Å
1165	A	94.6	Very high	87	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.8	168.1	0	0	0	0	0	108.9	L1101 I1113 I1177 G1178 L1199	L1101-A1165 HydrophobicContact CD2-CB 4.05Å; I1113-A1165 HydrophobicContact CD1-CB 3.64Å; A1165-I1177 HydrophobicContact CB-CB 4.13Å; A1165-I1177 HydrophobicContact CB-CD1 4.24Å; A1165-I1177 WeakPolarHBondContact O-CB 3.11Å; A1165-I1177 PolarHBondContact O-N 2.84Å; A1165-G1178 PolarHBondContact N-O 2.82Å; A1165-L1199 HydrophobicContact CB-CD1 3.56Å
1166	K	93.1	Very high	87.2	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.2	-177.3	-69.1	-174.3	-178.2	170.1	0	112.1	P1111 F1112 E1114 Q1164 D1174 R1175 L1176 E1234	P1111-K1166 CarbonylContact C-O 3.58Å; P1111-K1166 VanDerWaalsContact CA-O 3.26Å; P1111-K1166 WeakPolarHBondContact CA-O 3.36Å; F1112-K1166 HydrophobicContact CD1-CB 4.15Å; F1112-K1166 WeakPolarHBondContact CD1-O 3.38Å; F1112-K1166 HydrophobicContact CE1-CB 3.54Å; F1112-K1166 HydrophobicContact CE2-CB 4.28Å; F1112-K1166 HydrophobicContact CZ-CB 3.62Å; F1112-K1166 HydrophobicContact CZ-CD 4.34Å; F1112-K1166 PolarHBondContact N-O 2.85Å; F1112-K1166 PolarHBondContact O-N 3.08Å; E1114-K1166 HydrophobicContact CG-CD 4.18Å; E1114-K1166 WeakPolarHBondContact OE2-CE 3.34Å; E1114-K1166 IonicContact OE2-NZ 3.51Å; E1114-K1166 PolarHBondContact OE2-NZ 2.89Å; Q1164-K1166 HydrophobicContact CB-CG 4.48Å; K1166-D1174 HydrophobicContact CB-CB 4.23Å; K1166-D1174 HydrophobicContact CD-CB 4.28Å; K1166-R1175 CarbonylContact C-O 3.32Å; K1166-R1175 VanDerWaalsContact CA-O 3.26Å; K1166-R1175 WeakPolarHBondContact CA-O 3.48Å; K1166-L1176 HydrophobicContact CG-CD1 4.1Å; K1166-E1234 IonicContact NZ-OE1 2.94Å; K1166-E1234 IonicContact NZ-OE2 2.68Å
1167	D	91.5	Very high	87.5	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.011	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.2	173	177.2	36.7	0	0	0	109.7	W1103 F1109 R1110 C1169 D1174 R1175 I1177	W1103-D1167 PolarHBondContact NE1-OD2 3.44Å; F1109-D1167 HydrophobicContact CD2-CB 4.15Å; F1109-D1167 VanDerWaalsContact CD2-OD1 3.3Å; F1109-D1167 WeakPolarHBondContact CD2-OD1 3.41Å; F1109-D1167 HydrophobicContact CE2-CB 4.08Å; R1110-D1167 PolarHBondContact N-OD1 2.86Å; D1167-C1169 PolarHBondContact O-N 3.42Å; D1167-D1174 WeakPolarHBondContact O-CA 3.41Å; D1167-R1175 PolarHBondContact N-O 2.85Å; D1167-R1175 PolarHBondContact O-N 2.89Å; D1167-R1175 IonicContact OD2-CZ 3.63Å; D1167-R1175 IonicContact OD2-NE 3.03Å; D1167-R1175 IonicContact OD2-NH2 3.65Å; D1167-R1175 PolarHBondContact OD2-NH2 2.95Å; D1167-I1177 HydrophobicContact CB-CD1 4.27Å; D1167-I1177 HydrophobicContact CB-CG1 4.2Å
1168	Y	90.9	Very high	87.7	Confident	83 Å²	83	35.5 Å²	35.5	33%	0.325	17%	0.171	S	C	.	.			trans	-67.6	127.2	-173.3	171.7	-96.2	0	0	0	112.8	R1110 T1133 F1170 D1174	R1110-Y1168 WeakPolarHBondContact O-CB 3.46Å; R1110-Y1168 PolarHBondContact O-N 3.01Å; T1133-Y1168 HydrophobicContact CG2-CD2 4.43Å; T1133-Y1168 HydrophobicContact CG2-CG 4.02Å; Y1168-F1170 HydrophobicContact CE1-CB 4.16Å; Y1168-D1174 VanDerWaalsContact CA-OD1 3.24Å; Y1168-D1174 WeakPolarHBondContact CA-OD1 3.36Å; Y1168-D1174 WeakPolarHBondContact CD2-OD1 3.44Å
1169	C	81.1	Confident	87.7	Confident	22 Å²	22	34.8 Å²	34.8	15%	0.149	17%	0.168	C	C	.	.			trans	-120	107.8	-179.4	-149.1	0	0	0	0	112.5	D1167 A1171 R1172 D1174	D1167-C1169 PolarHBondContact O-N 3.42Å; C1169-A1171 PolarHBondContact O-N 2.87Å; C1169-R1172 HydrophobicContact CB-CB 4.12Å; C1169-R1172 PolarHBondContact O-N 2.84Å; C1169-R1172 PolarHBondContact SG-NE 2.91Å; C1169-D1174 PolarHBondContact N-OD1 3.16Å
1170	F	75.8	Confident	87.7	Confident	174 Å²	174	35 Å²	35	76%	0.763	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.6	-175.7	-179.1	-101.6	0	0	0	115.8	Y1168	Y1168-F1170 HydrophobicContact CE1-CB 4.16Å
1171	A	71.3	Confident	87.6	Confident	91 Å²	91	35.4 Å²	35.4	75%	0.752	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-131.2	10.9	-174.9	0	0	0	0	0	114.2	C1169	C1169-A1171 PolarHBondContact O-N 2.87Å
1172	R	71	Confident	87.5	Confident	160 Å²	160	35.9 Å²	35.9	60%	0.604	18%	0.175	S	C	*	.	S	Bend	trans	-144.8	-179.8	179.3	-64.3	-175.3	-68.8	-169.9	-4.1	109	C1169	C1169-R1172 HydrophobicContact CB-CB 4.12Å; C1169-R1172 PolarHBondContact O-N 2.84Å; C1169-R1172 PolarHBondContact SG-NE 2.91Å
1173	E	73.1	Confident	87.2	Confident	81 Å²	81	35.9 Å²	35.9	38%	0.379	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-69.8	145.6	168.7	-54.2	-156.6	131.1	0	0	111	K962	K962-E1173 WeakPolarHBondContact CE-OE1 3.46Å; K962-E1173 IonicContact NZ-OE1 3.25Å; K962-E1173 PolarHBondContact NZ-OE1 3.36Å
1174	D	87	Confident	86.9	Confident	51 Å²	51	35.9 Å²	35.9	27%	0.273	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-64.7	133.7	176.4	-56.7	-45.8	0	0	0	110	F1112 K1166 D1167 Y1168 C1169	F1112-D1174 HydrophobicContact CE1-CB 4.01Å; F1112-D1174 HydrophobicContact CZ-CB 3.87Å; K1166-D1174 HydrophobicContact CB-CB 4.23Å; K1166-D1174 HydrophobicContact CD-CB 4.28Å; D1167-D1174 WeakPolarHBondContact O-CA 3.41Å; Y1168-D1174 VanDerWaalsContact CA-OD1 3.24Å; Y1168-D1174 WeakPolarHBondContact CA-OD1 3.36Å; Y1168-D1174 WeakPolarHBondContact CD2-OD1 3.44Å; C1169-D1174 PolarHBondContact N-OD1 3.16Å
1175	R	87.6	Confident	86.6	Confident	51 Å²	51	38.3 Å²	38.3	19%	0.192	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.5	-170.9	-66.8	179.1	-67	172.5	-1.3	110.6	W1103 T1105 K1166 D1167 I1177	W1103-R1175 HydrophobicContact CH2-CB 3.95Å; W1103-R1175 HydrophobicContact CZ2-CB 3.59Å; W1103-R1175 HydrophobicContact CZ2-CG 4.39Å; T1105-R1175 VanDerWaalsContact CB-NH2 3.34Å; T1105-R1175 PolarHBondContact OG1-NH2 2.78Å; K1166-R1175 CarbonylContact C-O 3.32Å; K1166-R1175 VanDerWaalsContact CA-O 3.26Å; K1166-R1175 WeakPolarHBondContact CA-O 3.48Å; D1167-R1175 PolarHBondContact N-O 2.85Å; D1167-R1175 PolarHBondContact O-N 2.89Å; D1167-R1175 IonicContact OD2-CZ 3.63Å; D1167-R1175 IonicContact OD2-NE 3.03Å; D1167-R1175 IonicContact OD2-NH2 3.65Å; D1167-R1175 PolarHBondContact OD2-NH2 2.95Å; R1175-I1177 PolarHBondContact O-N 2.92Å
1176	L	89.4	Confident	85.9	Confident	5 Å²	5	42.1 Å²	42.1	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	120.5	174.5	-170.3	70.9	0	0	0	110.3	W1103 Q1164 K1166 G1178 V1179 E1234 R1236	W1103-L1176 WeakPolarHBondContact CZ3-O 3.42Å; Q1164-L1176 HydrophobicContact CB-CD1 3.64Å; Q1164-L1176 HydrophobicContact CG-CD1 3.83Å; K1166-L1176 HydrophobicContact CG-CD1 4.1Å; L1176-G1178 WeakPolarHBondContact CD1-O 3.45Å; L1176-V1179 HydrophobicContact CD2-CB 4.26Å; L1176-V1179 HydrophobicContact CD2-CG1 4.36Å; L1176-E1234 HydrophobicContact CD2-CG 4.36Å; L1176-R1236 WeakPolarHBondContact O-CG 3.46Å
1177	I	91	Very high	85.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-46.6	172.8	-58.6	162.8	0	0	0	109.2	V1071 L1101 W1103 F1109 P1111 A1165 D1167 R1175 R1236	V1071-I1177 WeakPolarHBondContact CG2-O 3.41Å; L1101-I1177 HydrophobicContact CB-CG2 4.49Å; L1101-I1177 HydrophobicContact CD2-CG2 4.46Å; W1103-I1177 HydrophobicContact CB-CG1 4.28Å; W1103-I1177 HydrophobicContact CB-CG2 3.93Å; W1103-I1177 HydrophobicContact CD2-CB 4.48Å; W1103-I1177 HydrophobicContact CD2-CG1 3.93Å; W1103-I1177 HydrophobicContact CD2-CG2 4.49Å; W1103-I1177 HydrophobicContact CE3-CB 4.29Å; W1103-I1177 HydrophobicContact CE3-CG1 4.2Å; W1103-I1177 HydrophobicContact CE3-CG2 4.27Å; W1103-I1177 HydrophobicContact CG-CG1 3.97Å; W1103-I1177 HydrophobicContact CG-CG2 4.4Å; F1109-I1177 HydrophobicContact CE2-CD1 3.64Å; F1109-I1177 HydrophobicContact CE2-CG1 4.35Å; F1109-I1177 HydrophobicContact CZ-CD1 3.87Å; P1111-I1177 HydrophobicContact CB-CD1 4.15Å; A1165-I1177 HydrophobicContact CB-CB 4.13Å; A1165-I1177 HydrophobicContact CB-CD1 4.24Å; A1165-I1177 WeakPolarHBondContact O-CB 3.11Å; A1165-I1177 PolarHBondContact O-N 2.84Å; D1167-I1177 HydrophobicContact CB-CD1 4.27Å; D1167-I1177 HydrophobicContact CB-CG1 4.2Å; R1175-I1177 PolarHBondContact O-N 2.92Å; I1177-R1236 WeakPolarHBondContact O-CD 3.45Å; I1177-R1236 WeakPolarHBondContact O-CG 3.44Å; I1177-R1236 PolarHBondContact O-NH1 2.95Å
1178	G	90.3	Very high	84	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	164.5	176.8	0	0	0	0	0	112.4	A1165 L1176 G1200	A1165-G1178 PolarHBondContact N-O 2.82Å; L1176-G1178 WeakPolarHBondContact CD1-O 3.45Å; G1178-G1200 CarbonylContact C-O 2.84Å; G1178-G1200 WeakPolarHBondContact CA-O 2.78Å
1179	V	92.1	Very high	82.9	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.2	-176.4	58.8	0	0	0	0	110.7	I1162 F1163 Q1164 L1176 L1199 G1200 Q1203	I1162-V1179 HydrophobicContact CG2-CG2 3.75Å; F1163-V1179 CarbonylContact O-C 3.15Å; F1163-V1179 VanDerWaalsContact O-CA 3.3Å; F1163-V1179 WeakPolarHBondContact O-CA 3.34Å; Q1164-V1179 HydrophobicContact CG-CB 4.34Å; Q1164-V1179 HydrophobicContact CG-CG2 3.94Å; L1176-V1179 HydrophobicContact CD2-CB 4.26Å; L1176-V1179 HydrophobicContact CD2-CG1 4.36Å; V1179-L1199 WeakPolarHBondContact O-CA 3.29Å; V1179-G1200 PolarHBondContact N-O 3.37Å; V1179-G1200 PolarHBondContact O-N 3Å; V1179-Q1203 HydrophobicContact CG1-CG 3.91Å; V1179-Q1203 HydrophobicContact CG2-CG 3.95Å
1180	G	91.1	Very high	82.2	Confident	5 Å²	5	55.9 Å²	55.9	5%	0.052	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156.4	175.4	0	0	0	0	0	111.4	F1163 Q1198	F1163-G1180 PolarHBondContact N-O 2.86Å; F1163-G1180 PolarHBondContact O-N 2.9Å; G1180-Q1198 WeakPolarHBondContact CA-O 3.44Å
1181	V	92	Very high	82.1	Confident	9 Å²	9	53.8 Å²	53.8	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.8	-176	-177	0	0	0	0	109.3	Q1062 E1160 L1161 I1162 Q1183 Q1203	Q1062-V1181 HydrophobicContact CB-CB 4.32Å; Q1062-V1181 HydrophobicContact CB-CG1 4.23Å; Q1062-V1181 HydrophobicContact CB-CG2 4.47Å; E1160-V1181 HydrophobicContact CB-CG1 4.3Å; E1160-V1181 WeakPolarHBondContact OE2-CG1 3.32Å; L1161-V1181 CarbonylContact O-C 3.58Å; L1161-V1181 WeakPolarHBondContact O-CA 3.43Å; I1162-V1181 HydrophobicContact CG1-CG2 4.47Å; V1181-Q1183 HydrophobicContact CG1-CG 4.13Å; V1181-Q1203 HydrophobicContact CG2-CG 3.99Å; V1181-Q1203 VanDerWaalsContact CG2-OE1 3.27Å
1182	L	90.7	Very high	82.6	Confident	10 Å²	10	53 Å²	53	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	113.2	174.4	-178.3	147.5	0	0	0	108	V1078 E1160 L1161 F1163 L1184 F1187 C1195 V1197	V1078-L1182 HydrophobicContact CG2-CD1 4.4Å; V1078-L1182 HydrophobicContact CG2-CD2 4.4Å; E1160-L1182 WeakPolarHBondContact CA-O 3.28Å; L1161-L1182 HydrophobicContact CB-CB 4.43Å; L1161-L1182 HydrophobicContact CB-CD2 4.49Å; L1161-L1182 HydrophobicContact CD1-CD2 4.14Å; L1161-L1182 PolarHBondContact N-O 2.81Å; L1161-L1182 PolarHBondContact O-N 2.83Å; F1163-L1182 HydrophobicContact CE2-CB 3.76Å; L1182-L1184 HydrophobicContact CD2-CD2 4.08Å; L1182-F1187 HydrophobicContact CD1-CE2 4.19Å; L1182-F1187 HydrophobicContact CD1-CZ 3.76Å; L1182-F1187 HydrophobicContact CD2-CD2 3.91Å; L1182-F1187 HydrophobicContact CD2-CE2 3.21Å; L1182-F1187 HydrophobicContact CD2-CZ 3.62Å; L1182-F1187 HydrophobicContact CG-CE2 3.52Å; L1182-F1187 HydrophobicContact CG-CZ 3.6Å; L1182-C1195 WeakPolarHBondContact CD1-SG 3.18Å; L1182-V1197 HydrophobicContact CD1-CG2 3.91Å
1183	Q	89	Confident	83.1	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.8	-171.9	-56.4	-167.2	-26.3	0	0	110.1	Q1059 R1060 E1160 V1181 R1185 N1186 F1187	Q1059-Q1183 PolarHBondContact O-NE2 3.39Å; R1060-Q1183 PolarHBondContact O-OE1 2.81Å; E1160-Q1183 HydrophobicContact CB-CG 4.43Å; V1181-Q1183 HydrophobicContact CG1-CG 4.13Å; Q1183-R1185 HydrophobicContact CB-CG 4.26Å; Q1183-R1185 VanDerWaalsContact CD-NH2 3.34Å; Q1183-R1185 PolarHBondContact O-N 3.03Å; Q1183-R1185 VanDerWaalsContact O-N 3.11Å; Q1183-N1186 PolarHBondContact O-N 3.21Å; Q1183-N1186 VanDerWaalsContact O-N 3.08Å; Q1183-F1187 VanDerWaalsContact O-CD2 3.29Å; Q1183-F1187 WeakPolarHBondContact O-CD2 3.15Å; Q1183-F1187 VanDerWaalsContact O-CE2 3.26Å; Q1183-F1187 WeakPolarHBondContact O-CE2 3.08Å
1184	L	89.2	Confident	83.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-65.9	-18.7	-173.6	-64.8	-169.5	0	0	0	112.7	V1091 I1117 L1150 L1156 Y1159 L1161 L1182 N1186 F1187	V1091-L1184 HydrophobicContact CG2-CD1 3.98Å; I1117-L1184 HydrophobicContact CD1-CD1 4.24Å; L1150-L1184 HydrophobicContact CD1-CD1 4.24Å; L1156-L1184 HydrophobicContact CD2-CD1 4.27Å; L1156-L1184 WeakPolarHBondContact O-CB 3.45Å; Y1159-L1184 WeakPolarHBondContact O-CB 3.31Å; Y1159-L1184 PolarHBondContact O-N 2.91Å; L1161-L1184 HydrophobicContact CD1-CD2 3.98Å; L1161-L1184 HydrophobicContact CG-CD2 4.17Å; L1182-L1184 HydrophobicContact CD2-CD2 4.08Å; L1184-N1186 PolarHBondContact O-N 3.16Å; L1184-N1186 VanDerWaalsContact O-N 3.17Å; L1184-F1187 PolarHBondContact O-N 3.27Å
1185	R	85.9	Confident	83.9	Confident	51 Å²	51	46.1 Å²	46.1	19%	0.192	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-50.7	-35.7	169.8	89	175.5	100.8	-132	8.5	113.1	I1056 Q1059 E1157 Q1183 F1187	I1056-R1185 PolarHBondContact O-NH1 3.18Å; I1056-R1185 PolarHBondContact O-NH2 3.11Å; Q1059-R1185 PolarHBondContact O-NH2 3.47Å; Q1059-R1185 VanDerWaalsContact O-NH2 3.12Å; E1157-R1185 HydrophobicContact CB-CB 3.76Å; Q1183-R1185 HydrophobicContact CB-CG 4.26Å; Q1183-R1185 VanDerWaalsContact CD-NH2 3.34Å; Q1183-R1185 PolarHBondContact O-N 3.03Å; Q1183-R1185 VanDerWaalsContact O-N 3.11Å; R1185-F1187 PolarHBondContact O-N 2.97Å
1186	N	80.1	Confident	84	Confident	79 Å²	79	49.9 Å²	49.9	42%	0.422	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-74.7	-7.2	-176.1	-60.2	-10.1	0	0	0	113	D1063 Q1183 L1184	D1063-N1186 PolarHBondContact OD2-ND2 3.44Å; Q1183-N1186 PolarHBondContact O-N 3.21Å; Q1183-N1186 VanDerWaalsContact O-N 3.08Å; L1184-N1186 PolarHBondContact O-N 3.16Å; L1184-N1186 VanDerWaalsContact O-N 3.17Å
1187	F	76	Confident	84.1	Confident	22 Å²	22	50.1 Å²	50.1	10%	0.096	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-118.5	3.1	-173.2	-53.4	-86.6	0	0	0	112.6	L1080 L1182 Q1183 L1184 R1185 E1189 H1190 C1193	L1080-F1187 HydrophobicContact CD1-CB 3.65Å; L1182-F1187 HydrophobicContact CD1-CE2 4.19Å; L1182-F1187 HydrophobicContact CD1-CZ 3.76Å; L1182-F1187 HydrophobicContact CD2-CD2 3.91Å; L1182-F1187 HydrophobicContact CD2-CE2 3.21Å; L1182-F1187 HydrophobicContact CD2-CZ 3.62Å; L1182-F1187 HydrophobicContact CG-CE2 3.52Å; L1182-F1187 HydrophobicContact CG-CZ 3.6Å; Q1183-F1187 VanDerWaalsContact O-CD2 3.29Å; Q1183-F1187 WeakPolarHBondContact O-CD2 3.15Å; Q1183-F1187 VanDerWaalsContact O-CE2 3.26Å; Q1183-F1187 WeakPolarHBondContact O-CE2 3.08Å; L1184-F1187 PolarHBondContact O-N 3.27Å; R1185-F1187 PolarHBondContact O-N 2.97Å; F1187-E1189 PolarHBondContact O-N 3.3Å; F1187-H1190 CarbonylContact O-C 3.32Å; F1187-H1190 PolarHBondContact O-N 3.49Å; F1187-H1190 VanDerWaalsContact O-O 3.08Å; F1187-C1193 HydrophobicContact CD1-CB 3.6Å; F1187-C1193 HydrophobicContact CE1-CB 3.41Å; F1187-C1193 VanDerWaalsContact CE1-CB 3.41Å
1188	V	69.2	Low	84.1	Confident	89 Å²	89	54.4 Å²	54.4	54%	0.539	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-27.3	178.4	178.7	0	0	0	0	112	L1156	L1156-V1188 HydrophobicContact CB-CG2 4.15Å
1189	E	67.2	Low	84.1	Confident	177 Å²	177	54.4 Å²	54.4	83%	0.827	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.5	176.1	-61.4	-174.9	162.7	0	0	114.1	F1187	F1187-E1189 PolarHBondContact O-N 3.3Å
1190	H	67.1	Low	83.9	Confident	114 Å²	114	54.7 Å²	54.7	53%	0.528	29%	0.294	S	S	.	.			trans	-135.2	100.3	-171	-67.8	80.2	0	0	0	111	F1187 S1192	F1187-H1190 CarbonylContact O-C 3.32Å; F1187-H1190 PolarHBondContact O-N 3.49Å; F1187-H1190 VanDerWaalsContact O-O 3.08Å; H1190-S1192 PolarHBondContact O-N 2.92Å
1191	D	72.9	Confident	83.7	Confident	131 Å²	131	58.6 Å²	58.6	70%	0.701	31%	0.307	S	S	*	.	S	Bend	trans	-54.3	-18.8	-178.4	-68.5	-31.5	0	0	0	114.8	L1080	L1080-D1191 PolarHBondContact N-O 2.8Å
1192	S	82	Confident	83.3	Confident	73 Å²	73	65.1 Å²	65.1	51%	0.51	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.3	173.9	60.7	0	0	0	0	112.2	V1078 D1079 H1190	V1078-S1192 CarbonylContact O-C 3.54Å; V1078-S1192 VanDerWaalsContact O-CA 3.31Å; V1078-S1192 WeakPolarHBondContact O-CA 3.38Å; D1079-S1192 WeakPolarHBondContact OD1-CB 3.43Å; H1190-S1192 PolarHBondContact O-N 2.92Å
1193	C	81.6	Confident	83	Confident	40 Å²	40	65.5 Å²	65.5	27%	0.27	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.2	172.1	-174.5	0	0	0	0	111.8	Q1077 V1078 F1187	Q1077-C1193 CarbonylContact C-O 3.5Å; Q1077-C1193 WeakPolarHBondContact CA-O 3.44Å; V1078-C1193 PolarHBondContact N-O 3.15Å; V1078-C1193 PolarHBondContact O-N 3.04Å; F1187-C1193 HydrophobicContact CD1-CB 3.6Å; F1187-C1193 HydrophobicContact CE1-CB 3.41Å; F1187-C1193 VanDerWaalsContact CE1-CB 3.41Å
1194	A	88.5	Confident	82.5	Confident	78 Å²	78	69.1 Å²	69.1	65%	0.645	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	119.7	164.8	0	0	0	0	0	109.2	V1076	V1076-A1194 CarbonylContact O-C 3.6Å; V1076-A1194 WeakPolarHBondContact O-CA 3.33Å
1195	C	89.2	Confident	82.1	Confident	31 Å²	31	70.9 Å²	70.9	21%	0.209	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	168.1	-172.9	62.3	0	0	0	0	112.8	V1076 L1182	V1076-C1195 PolarHBondContact N-O 2.65Å; V1076-C1195 PolarHBondContact O-N 2.77Å; L1182-C1195 WeakPolarHBondContact CD1-SG 3.18Å
1196	W	90.2	Very high	81.9	Confident	130 Å²	130	71.8 Å²	71.8	49%	0.492	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.8	171.8	-66.5	96.7	0	0	0	108.9	E1073 V1074 S1075 N1099	E1073-W1196 HydrophobicContact CB-CE3 4.23Å; E1073-W1196 VanDerWaalsContact CD-CE3 3.45Å; E1073-W1196 HydrophobicContact CG-CE3 3.72Å; E1073-W1196 HydrophobicContact CG-CZ3 4.09Å; V1074-W1196 WeakPolarHBondContact O-CA 3.2Å; S1075-W1196 VanDerWaalsContact CB-CZ3 3.42Å; N1099-W1196 WeakPolarHBondContact ND2-CH2 3.36Å; N1099-W1196 WeakPolarHBondContact ND2-CZ3 3.48Å
1197	V	90.6	Very high	81.4	Confident	9 Å²	9	75.9 Å²	75.9	6%	0.055	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.2	174.6	-177.7	0	0	0	0	108	E1073 V1074 V1076 F1163 L1182	E1073-V1197 CarbonylContact C-O 3.58Å; E1073-V1197 WeakPolarHBondContact CA-O 3.35Å; V1074-V1197 PolarHBondContact N-O 2.91Å; V1074-V1197 PolarHBondContact O-N 2.83Å; V1076-V1197 HydrophobicContact CB-CG2 4.48Å; V1076-V1197 HydrophobicContact CG2-CG2 3.96Å; F1163-V1197 HydrophobicContact CD2-CB 4.43Å; F1163-V1197 HydrophobicContact CD2-CG1 3.88Å; F1163-V1197 HydrophobicContact CD2-CG2 4.15Å; F1163-V1197 HydrophobicContact CE2-CG1 4.49Å; F1163-V1197 HydrophobicContact CE2-CG2 4.02Å; F1163-V1197 HydrophobicContact CG-CG1 4.42Å; F1163-V1197 HydrophobicContact CZ-CG2 4.49Å; L1182-V1197 HydrophobicContact CD1-CG2 3.91Å
1198	Q	90.7	Very high	81.7	Confident	91 Å²	91	77.1 Å²	77.1	43%	0.425	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.7	174.7	-67.6	-170.8	-3.1	0	0	111	G1180	G1180-Q1198 WeakPolarHBondContact CA-O 3.44Å
1199	L	91.4	Very high	82.3	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.367	C	S	.	.			trans	-105.7	118.5	177.3	-59.9	174.6	0	0	0	109.7	P1070 V1071 G1072 V1074 L1101 A1165 V1179	P1070-L1199 WeakPolarHBondContact CA-O 3.43Å; V1071-L1199 HydrophobicContact CG2-CB 4.15Å; V1071-L1199 VanDerWaalsContact CG2-O 3.23Å; V1071-L1199 WeakPolarHBondContact CG2-O 3.45Å; V1071-L1199 PolarHBondContact N-O 3.02Å; G1072-L1199 WeakPolarHBondContact O-CB 3.38Å; G1072-L1199 PolarHBondContact O-N 2.81Å; V1074-L1199 HydrophobicContact CG2-CD1 3.82Å; V1074-L1199 HydrophobicContact CG2-CD2 3.91Å; V1074-L1199 HydrophobicContact CG2-CG 4.03Å; L1101-L1199 HydrophobicContact CD2-CD1 3.73Å; A1165-L1199 HydrophobicContact CB-CD1 3.56Å; V1179-L1199 WeakPolarHBondContact O-CA 3.29Å
1200	G	87.6	Confident	82.7	Confident	9 Å²	9	66.8 Å²	66.8	9%	0.093	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-91	169	168.4	0	0	0	0	0	112.2	G1178 V1179 R1202	G1178-G1200 CarbonylContact C-O 2.84Å; G1178-G1200 WeakPolarHBondContact CA-O 2.78Å; V1179-G1200 PolarHBondContact N-O 3.37Å; V1179-G1200 PolarHBondContact O-N 3Å; G1200-R1202 PolarHBondContact O-N 2.75Å
1201	R	86.1	Confident	83.2	Confident	87 Å²	87	62.2 Å²	62.2	33%	0.328	32%	0.319	S	S	.	.	S	Bend	trans	-69.1	-23.1	171.7	-59.8	-174.1	-176.7	-166	3.9	112.3	E1068 V1071 S1235 R1236 E1238	E1068-R1201 WeakPolarHBondContact OE2-CB 3.26Å; V1071-R1201 HydrophobicContact CG1-CG 3.75Å; R1201-S1235 WeakPolarHBondContact O-CA 3.2Å; R1201-R1236 HydrophobicContact CB-CB 3.97Å; R1201-R1236 HydrophobicContact CG-CB 4.48Å; R1201-R1236 WeakPolarHBondContact O-CB 3.46Å; R1201-R1236 PolarHBondContact O-N 2.82Å; R1201-E1238 IonicContact CZ-OE1 3.88Å; R1201-E1238 IonicContact NH1-OE1 2.73Å; R1201-E1238 PolarHBondContact NH1-OE1 2.99Å
1202	R	84.4	Confident	83.7	Confident	145 Å²	145	56 Å²	56	55%	0.547	29%	0.286	S	S	.	.	S	Bend	trans	-156.9	162	-179	54.3	-179.2	170.7	168.9	1.3	108.9	E1068 G1200	E1068-R1202 IonicContact OE1-CZ 2.66Å; E1068-R1202 IonicContact OE1-NE 3.5Å; E1068-R1202 PolarHBondContact OE1-NE 2.96Å; E1068-R1202 IonicContact OE1-NH2 3.89Å; E1068-R1202 PolarHBondContact OE1-NH2 3.44Å; E1068-R1202 IonicContact OE2-NE 3.45Å; G1200-R1202 PolarHBondContact O-N 2.75Å
1203	Q	83.3	Confident	83.7	Confident	19 Å²	19	52.7 Å²	52.7	9%	0.089	26%	0.262	C	S	.	.			trans	-75.4	147.6	170.5	-60.6	-174.4	39.1	0	0	110.5	V1179 V1181 I1205 L1231	V1179-Q1203 HydrophobicContact CG1-CG 3.91Å; V1179-Q1203 HydrophobicContact CG2-CG 3.95Å; V1181-Q1203 HydrophobicContact CG2-CG 3.99Å; V1181-Q1203 VanDerWaalsContact CG2-OE1 3.27Å; Q1203-I1205 HydrophobicContact CB-CD1 4.5Å; Q1203-I1205 HydrophobicContact CB-CG1 4.34Å; Q1203-L1231 PolarHBondContact NE2-O 2.98Å
1204	Q	79.5	Confident	83.5	Confident	77 Å²	77	53.6 Å²	53.6	36%	0.36	26%	0.26	S	S	.	.			trans	-81.9	133.5	166.3	-67	-163.1	-24.1	0	0	109.8	Q1062 Q1067	Q1062-Q1204 PolarHBondContact NE2-O 2.93Å; Q1067-Q1204 VanDerWaalsContact N-NE2 3.16Å
1205	I	81.6	Confident	83.1	Confident	37 Å²	37	50 Å²	50	19%	0.19	23%	0.23	C	C	.	.			trans	-147.4	128.9	-176.2	-50.6	-176	0	0	0	107.2	F1055 Q1203 L1210 L1213 K1232	F1055-I1205 HydrophobicContact CE2-CG2 3.91Å; F1055-I1205 HydrophobicContact CZ-CD1 4.21Å; F1055-I1205 HydrophobicContact CZ-CG1 4.49Å; F1055-I1205 HydrophobicContact CZ-CG2 3.94Å; Q1203-I1205 HydrophobicContact CB-CD1 4.5Å; Q1203-I1205 HydrophobicContact CB-CG1 4.34Å; I1205-L1210 HydrophobicContact CG2-CD2 4.41Å; I1205-L1210 HydrophobicContact CG2-CG 4.24Å; I1205-L1213 HydrophobicContact CD1-CD1 3.64Å; I1205-L1213 HydrophobicContact CG2-CD1 4.19Å; I1205-K1232 HydrophobicContact CD1-CB 4Å; I1205-K1232 HydrophobicContact CD1-CD 4.48Å; I1205-K1232 WeakPolarHBondContact CD1-O 3.31Å
1206	D	80.8	Confident	82.8	Confident	70 Å²	70	48.6 Å²	48.6	37%	0.374	22%	0.22	S	C	.	.			trans	-79.3	178.1	179.2	72.6	40.1	0	0	0	112.9	Q1059 T1208 G1209 L1210	Q1059-D1206 PolarHBondContact NE2-OD1 2.88Å; Q1059-D1206 VanDerWaalsContact NE2-OD1 3.1Å; Q1059-D1206 PolarHBondContact NE2-OD2 2.88Å; D1206-T1208 VanDerWaalsContact C-N 3.28Å; D1206-T1208 PolarHBondContact O-N 3.2Å; D1206-T1208 VanDerWaalsContact OD1-CA 3.26Å; D1206-T1208 WeakPolarHBondContact OD1-CA 3.35Å; D1206-T1208 WeakPolarHBondContact OD1-CB 3.38Å; D1206-T1208 PolarHBondContact OD1-N 2.9Å; D1206-T1208 PolarHBondContact OD1-OG1 2.87Å; D1206-G1209 PolarHBondContact O-N 2.86Å; D1206-G1209 PolarHBondContact OD1-N 2.84Å; D1206-L1210 VanDerWaalsContact O-CG 3.29Å; D1206-L1210 WeakPolarHBondContact O-CG 3.46Å; D1206-L1210 PolarHBondContact O-N 2.81Å
1207	E	70.7	Confident	82.3	Confident	164 Å²	164	44.7 Å²	44.7	77%	0.766	21%	0.213	S	C	*	.	H	α-helix	trans	-62.1	-33.1	-179.5	-63	-162.9	138.3	0	0	113.4	L1210 I1211	E1207-L1210 PolarHBondContact O-N 3.06Å; E1207-I1211 WeakPolarHBondContact O-CG1 3.37Å; E1207-I1211 PolarHBondContact O-N 2.88Å
1208	T	80.5	Confident	81.6	Confident	49 Å²	49	45.5 Å²	45.5	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-70.9	-43.8	177.3	-36.1	0	0	0	0	110.9	Y1039 L1058 D1206 L1210 I1211 L1212	Y1039-T1208 HydrophobicContact CE1-CG2 3.89Å; L1058-T1208 HydrophobicContact CD1-CG2 3.87Å; D1206-T1208 VanDerWaalsContact C-N 3.28Å; D1206-T1208 PolarHBondContact O-N 3.2Å; D1206-T1208 VanDerWaalsContact OD1-CA 3.26Å; D1206-T1208 WeakPolarHBondContact OD1-CA 3.35Å; D1206-T1208 WeakPolarHBondContact OD1-CB 3.38Å; D1206-T1208 PolarHBondContact OD1-N 2.9Å; D1206-T1208 PolarHBondContact OD1-OG1 2.87Å; T1208-L1210 VanDerWaalsContact C-N 3.3Å; T1208-L1210 PolarHBondContact O-N 2.8Å; T1208-I1211 PolarHBondContact O-N 2.81Å; T1208-L1212 WeakPolarHBondContact O-CG 3.43Å; T1208-L1212 PolarHBondContact O-N 2.93Å
1209	G	82.3	Confident	81	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.1	-40	171.8	0	0	0	0	0	112	F1055 D1206 L1212 L1213	F1055-G1209 WeakPolarHBondContact CE2-O 3.11Å; D1206-G1209 PolarHBondContact O-N 2.86Å; D1206-G1209 PolarHBondContact OD1-N 2.84Å; G1209-L1212 PolarHBondContact O-N 3.5Å; G1209-L1213 WeakPolarHBondContact O-CB 3.48Å; G1209-L1213 WeakPolarHBondContact O-CG 3.38Å; G1209-L1213 PolarHBondContact O-N 2.97Å
1210	L	76.4	Confident	79.9	Confident	48 Å²	48	47 Å²	47	25%	0.251	22%	0.221	S	C	.	.	H	α-helix	trans	-66.2	-37.1	174.3	-70.4	172.5	0	0	0	112.9	I1205 D1206 E1207 T1208 R1214	I1205-L1210 HydrophobicContact CG2-CD2 4.41Å; I1205-L1210 HydrophobicContact CG2-CG 4.24Å; D1206-L1210 VanDerWaalsContact O-CG 3.29Å; D1206-L1210 WeakPolarHBondContact O-CG 3.46Å; D1206-L1210 PolarHBondContact O-N 2.81Å; E1207-L1210 PolarHBondContact O-N 3.06Å; T1208-L1210 VanDerWaalsContact C-N 3.3Å; T1208-L1210 PolarHBondContact O-N 2.8Å; L1210-R1214 WeakPolarHBondContact O-CB 3.31Å; L1210-R1214 VanDerWaalsContact O-CG 3.26Å; L1210-R1214 WeakPolarHBondContact O-CG 3.14Å; L1210-R1214 PolarHBondContact O-N 2.92Å
1211	I	77.3	Confident	79.5	Confident	18 Å²	18	57.1 Å²	57.1	9%	0.092	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-48	171.9	-73.3	164.1	0	0	0	110.4	L946 A1040 L1043 E1207 T1208 L1213 R1214 I1215	L946-I1211 HydrophobicContact CD1-CG1 4.12Å; L946-I1211 HydrophobicContact CD2-CB 4.48Å; L946-I1211 HydrophobicContact CD2-CG1 4.26Å; L946-I1211 HydrophobicContact CD2-CG2 3.94Å; A1040-I1211 HydrophobicContact CB-CG2 4.42Å; L1043-I1211 HydrophobicContact CD1-CG2 3.73Å; E1207-I1211 WeakPolarHBondContact O-CG1 3.37Å; E1207-I1211 PolarHBondContact O-N 2.88Å; T1208-I1211 PolarHBondContact O-N 2.81Å; I1211-L1213 PolarHBondContact O-N 2.88Å; I1211-R1214 WeakPolarHBondContact O-CB 3.2Å; I1211-R1214 PolarHBondContact O-N 2.79Å; I1211-I1215 HydrophobicContact CG2-CD1 4.13Å; I1211-I1215 WeakPolarHBondContact O-CG1 3.37Å; I1211-I1215 PolarHBondContact O-N 2.79Å
1212	L	83.9	Confident	79.4	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-42.7	178.8	-72	163.6	0	0	0	112	L1043 L1051 T1054 F1055 L1058 T1208 G1209 R1214 I1215 L1216	L1043-L1212 HydrophobicContact CD1-CD2 3.82Å; L1043-L1212 HydrophobicContact CD1-CG 4.38Å; L1043-L1212 HydrophobicContact CD2-CD2 3.87Å; L1043-L1212 HydrophobicContact CG-CD2 4.42Å; L1051-L1212 HydrophobicContact CD2-CD2 3.68Å; T1054-L1212 HydrophobicContact CG2-CD1 4.09Å; T1054-L1212 HydrophobicContact CG2-CD2 4.32Å; F1055-L1212 HydrophobicContact CB-CD1 4.05Å; F1055-L1212 HydrophobicContact CD2-CB 4.04Å; F1055-L1212 HydrophobicContact CD2-CD1 4.37Å; L1058-L1212 HydrophobicContact CD1-CD1 4.2Å; T1208-L1212 WeakPolarHBondContact O-CG 3.43Å; T1208-L1212 PolarHBondContact O-N 2.93Å; G1209-L1212 PolarHBondContact O-N 3.5Å; L1212-R1214 PolarHBondContact O-N 2.88Å; L1212-I1215 PolarHBondContact O-N 3.35Å; L1212-L1216 WeakPolarHBondContact O-CB 3Å; L1212-L1216 WeakPolarHBondContact O-CG 3.49Å; L1212-L1216 PolarHBondContact O-N 2.9Å
1213	L	81.9	Confident	79.4	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-35.4	175.9	-73.5	170.3	0	0	0	113.2	F1055 I1205 G1209 I1211 L1216 S1217 F1228 V1229 K1232	F1055-L1213 HydrophobicContact CD2-CG 4.14Å; F1055-L1213 HydrophobicContact CE2-CD1 3.66Å; F1055-L1213 HydrophobicContact CE2-CD2 4.13Å; F1055-L1213 HydrophobicContact CE2-CG 3.59Å; F1055-L1213 HydrophobicContact CZ-CD1 4.14Å; F1055-L1213 HydrophobicContact CZ-CG 4.42Å; I1205-L1213 HydrophobicContact CD1-CD1 3.64Å; I1205-L1213 HydrophobicContact CG2-CD1 4.19Å; G1209-L1213 WeakPolarHBondContact O-CB 3.48Å; G1209-L1213 WeakPolarHBondContact O-CG 3.38Å; G1209-L1213 PolarHBondContact O-N 2.97Å; I1211-L1213 PolarHBondContact O-N 2.88Å; L1213-L1216 PolarHBondContact O-N 3.39Å; L1213-S1217 WeakPolarHBondContact O-CB 3.37Å; L1213-S1217 PolarHBondContact O-N 3.39Å; L1213-F1228 HydrophobicContact CD2-CD1 3.95Å; L1213-F1228 HydrophobicContact CD2-CE1 3.92Å; L1213-V1229 HydrophobicContact CD2-CG2 4.09Å; L1213-K1232 HydrophobicContact CD1-CB 3.87Å; L1213-K1232 HydrophobicContact CD2-CB 3.77Å; L1213-K1232 HydrophobicContact CD2-CG 4.14Å
1214	R	76.3	Confident	79.7	Confident	60 Å²	60	53.3 Å²	53.3	23%	0.226	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-43.9	172	-79.5	173.6	-172.3	-168.3	0.8	111.5	P947 Y949 L1210 I1211 L1212 S1217	P947-R1214 HydrophobicContact CG-CB 3.85Å; P947-R1214 WeakPolarHBondContact CG-O 3.47Å; Y949-R1214 HydrophobicContact CD2-CG 3.92Å; L1210-R1214 WeakPolarHBondContact O-CB 3.31Å; L1210-R1214 VanDerWaalsContact O-CG 3.26Å; L1210-R1214 WeakPolarHBondContact O-CG 3.14Å; L1210-R1214 PolarHBondContact O-N 2.92Å; I1211-R1214 WeakPolarHBondContact O-CB 3.2Å; I1211-R1214 PolarHBondContact O-N 2.79Å; L1212-R1214 PolarHBondContact O-N 2.88Å; R1214-S1217 PolarHBondContact O-N 3.16Å; R1214-S1217 PolarHBondContact O-OG 3.04Å
1215	I	80	Confident	80.1	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-71	-37.2	179.1	-63.1	175.6	0	0	0	111.1	L1043 Y1044 L1051 I1211 L1212	L1043-I1215 HydrophobicContact CB-CD1 3.44Å; L1043-I1215 VanDerWaalsContact CB-CD1 3.44Å; L1043-I1215 HydrophobicContact CD1-CD1 3.79Å; L1043-I1215 HydrophobicContact CG-CD1 4.27Å; Y1044-I1215 HydrophobicContact CD1-CG2 4.4Å; Y1044-I1215 HydrophobicContact CD2-CD1 4.17Å; Y1044-I1215 HydrophobicContact CE1-CG2 4.22Å; Y1044-I1215 HydrophobicContact CE2-CD1 3.87Å; Y1044-I1215 HydrophobicContact CE2-CG1 3.86Å; L1051-I1215 HydrophobicContact CD1-CG2 3.91Å; I1211-I1215 HydrophobicContact CG2-CD1 4.13Å; I1211-I1215 WeakPolarHBondContact O-CG1 3.37Å; I1211-I1215 PolarHBondContact O-N 2.79Å; L1212-I1215 PolarHBondContact O-N 3.35Å
1216	L	82.6	Confident	80.2	Confident	1 Å²	1	52 Å²	52	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-34.2	174.6	-75.4	169.2	0	0	0	112.8	T1048 L1051 I1052 L1212 L1213 Q1218 R1219 A1225 F1228 V1229	T1048-L1216 HydrophobicContact CG2-CD2 3.93Å; L1051-L1216 HydrophobicContact CB-CD1 4.39Å; L1051-L1216 HydrophobicContact CB-CD2 3.82Å; L1051-L1216 HydrophobicContact CB-CG 4.14Å; L1051-L1216 HydrophobicContact CD1-CD2 3.89Å; L1051-L1216 HydrophobicContact CD1-CG 4.21Å; I1052-L1216 HydrophobicContact CG1-CD1 4.17Å; I1052-L1216 HydrophobicContact CG1-CD2 4.41Å; L1212-L1216 WeakPolarHBondContact O-CB 3Å; L1212-L1216 WeakPolarHBondContact O-CG 3.49Å; L1212-L1216 PolarHBondContact O-N 2.9Å; L1213-L1216 PolarHBondContact O-N 3.39Å; L1216-Q1218 PolarHBondContact O-N 3.23Å; L1216-R1219 WeakPolarHBondContact O-CB 3.23Å; L1216-R1219 PolarHBondContact O-N 2.94Å; L1216-A1225 HydrophobicContact CD2-CB 4.2Å; L1216-F1228 HydrophobicContact CD1-CD1 3.76Å; L1216-F1228 HydrophobicContact CD1-CE1 3.99Å; L1216-V1229 HydrophobicContact CB-CG2 3.57Å
1217	S	79.8	Confident	80.5	Confident	49 Å²	49	50.9 Å²	50.9	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-67.7	-23.3	-178	73.7	0	0	0	0	113.6	L1213 R1214 R1219	L1213-S1217 WeakPolarHBondContact O-CB 3.37Å; L1213-S1217 PolarHBondContact O-N 3.39Å; R1214-S1217 PolarHBondContact O-N 3.16Å; R1214-S1217 PolarHBondContact O-OG 3.04Å; S1217-R1219 PolarHBondContact O-N 3.3Å
1218	Q	76	Confident	81.5	Confident	26 Å²	26	43.2 Å²	43.2	12%	0.121	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-11.4	171.4	-71.9	178.4	-43.7	0	0	113.5	P947 R995 Y1044 L1216 Q1220	P947-Q1218 HydrophobicContact CB-CG 4.03Å; P947-Q1218 HydrophobicContact CG-CG 3.89Å; R995-Q1218 PolarHBondContact O-NE2 3.03Å; R995-Q1218 VanDerWaalsContact O-NE2 3.09Å; Y1044-Q1218 VanDerWaalsContact CE1-OE1 3.22Å; Y1044-Q1218 PolarHBondContact OH-OE1 3.02Å; L1216-Q1218 PolarHBondContact O-N 3.23Å; Q1218-Q1220 PolarHBondContact O-N 3.28Å; Q1218-Q1220 VanDerWaalsContact O-N 3.07Å
1219	R	79.4	Confident	81.8	Confident	53 Å²	53	42 Å²	42	20%	0.2	19%	0.193	C	C	.	.			trans	-86.6	53.3	179.3	-55.7	-172.4	-179.1	-138.8	-9.6	111.8	Q1046 T1047 T1048 L1051 L1216 S1217 Y1221 D1222 A1225	Q1046-R1219 PolarHBondContact O-NH1 2.59Å; Q1046-R1219 PolarHBondContact O-NH2 2.87Å; T1047-R1219 VanDerWaalsContact C-NH1 3.31Å; T1048-R1219 WeakPolarHBondContact OG1-CD 3.23Å; T1048-R1219 PolarHBondContact OG1-NH1 2.73Å; L1051-R1219 VanDerWaalsContact CD1-NH2 3.34Å; L1216-R1219 WeakPolarHBondContact O-CB 3.23Å; L1216-R1219 PolarHBondContact O-N 2.94Å; S1217-R1219 PolarHBondContact O-N 3.3Å; R1219-Y1221 PolarHBondContact O-N 3.07Å; R1219-D1222 HydrophobicContact CB-CB 4.07Å; R1219-D1222 WeakPolarHBondContact O-CB 3.49Å; R1219-D1222 PolarHBondContact O-N 3.42Å; R1219-A1225 HydrophobicContact CB-CB 3.77Å
1220	Q	68.6	Low	82	Confident	70 Å²	70	48.2 Å²	48.2	33%	0.327	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.5	-173.9	-63	-172.6	24.9	0	0	115.2	D994 Q1218 K1226	D994-Q1220 PolarHBondContact OD1-NE2 3.22Å; Q1218-Q1220 PolarHBondContact O-N 3.28Å; Q1218-Q1220 VanDerWaalsContact O-N 3.07Å; Q1220-K1226 VanDerWaalsContact O-CD 3.23Å; Q1220-K1226 WeakPolarHBondContact O-CD 3.2Å; Q1220-K1226 WeakPolarHBondContact O-CE 3.14Å; Q1220-K1226 PolarHBondContact O-NZ 2.89Å
1221	Y	77.6	Confident	82.6	Confident	221 Å²	221	46 Å²	46	87%	0.867	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.2	174.4	-58	-68.8	0	0	0	113.4	R1219	R1219-Y1221 PolarHBondContact O-N 3.07Å
1222	D	84.5	Confident	83.1	Confident	42 Å²	42	45.4 Å²	45.4	23%	0.225	20%	0.202	C	C	.	.			trans	-101.6	107.8	179.6	-175.2	-35.4	0	0	0	109.4	T1048 R1219 V1224 A1225 K1226	T1048-D1222 WeakPolarHBondContact CB-OD2 3.24Å; T1048-D1222 VanDerWaalsContact CG2-OD2 3.25Å; T1048-D1222 WeakPolarHBondContact CG2-OD2 3.47Å; T1048-D1222 PolarHBondContact OG1-OD2 3.34Å; R1219-D1222 HydrophobicContact CB-CB 4.07Å; R1219-D1222 WeakPolarHBondContact O-CB 3.49Å; R1219-D1222 PolarHBondContact O-N 3.42Å; D1222-V1224 PolarHBondContact O-N 2.75Å; D1222-V1224 WeakPolarHBondContact OD1-CA 3.23Å; D1222-V1224 WeakPolarHBondContact OD1-CB 3.32Å; D1222-V1224 PolarHBondContact OD1-N 2.81Å; D1222-A1225 HydrophobicContact CB-CB 3.84Å; D1222-A1225 PolarHBondContact O-N 2.71Å; D1222-A1225 PolarHBondContact OD1-N 2.81Å; D1222-K1226 WeakPolarHBondContact O-CB 3.5Å; D1222-K1226 WeakPolarHBondContact O-CG 3.3Å; D1222-K1226 PolarHBondContact O-N 2.92Å
1223	E	85.2	Confident	83.1	Confident	113 Å²	113	48 Å²	48	53%	0.528	22%	0.218	S	C	.	.	H	α-helix	trans	-70.5	-13.1	-179.2	-65.1	-59.5	140.1	0	0	113.4	R1127 K1226 Q1227	R1127-E1223 PolarHBondContact NH1-O 2.94Å; R1127-E1223 VanDerWaalsContact NH1-O 3.12Å; E1223-K1226 WeakPolarHBondContact OE1-CD 3.48Å; E1223-K1226 IonicContact OE1-NZ 2.68Å; E1223-K1226 PolarHBondContact OE1-NZ 2.83Å; E1223-Q1227 WeakPolarHBondContact O-CB 3.14Å
1224	V	89.5	Confident	83.2	Confident	15 Å²	15	49 Å²	49	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-80.7	-50	170	-172.9	0	0	0	0	108.9	I1052 Q1122 A1123 D1222 K1226 Q1227 F1228	I1052-V1224 HydrophobicContact CD1-CG1 3.75Å; Q1122-V1224 HydrophobicContact CB-CG1 4.49Å; A1123-V1224 HydrophobicContact CB-CG2 4.02Å; D1222-V1224 PolarHBondContact O-N 2.75Å; D1222-V1224 WeakPolarHBondContact OD1-CA 3.23Å; D1222-V1224 WeakPolarHBondContact OD1-CB 3.32Å; D1222-V1224 PolarHBondContact OD1-N 2.81Å; V1224-K1226 PolarHBondContact O-N 2.93Å; V1224-Q1227 PolarHBondContact O-N 2.64Å; V1224-F1228 WeakPolarHBondContact O-CB 3.26Å; V1224-F1228 PolarHBondContact O-N 2.85Å
1225	A	86.8	Confident	83.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-47.8	177.1	0	0	0	0	0	112.2	T1048 L1216 R1219 D1222 Q1227 F1228 V1229	T1048-A1225 HydrophobicContact CG2-CB 3.84Å; L1216-A1225 HydrophobicContact CD2-CB 4.2Å; R1219-A1225 HydrophobicContact CB-CB 3.77Å; D1222-A1225 HydrophobicContact CB-CB 3.84Å; D1222-A1225 PolarHBondContact O-N 2.71Å; D1222-A1225 PolarHBondContact OD1-N 2.81Å; A1225-Q1227 PolarHBondContact O-N 2.96Å; A1225-F1228 PolarHBondContact O-N 3.09Å; A1225-V1229 WeakPolarHBondContact O-CB 3.12Å; A1225-V1229 VanDerWaalsContact O-CG2 3.31Å; A1225-V1229 WeakPolarHBondContact O-CG2 3.34Å; A1225-V1229 PolarHBondContact O-N 3.18Å
1226	K	84.8	Confident	83.5	Confident	88 Å²	88	50.4 Å²	50.4	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-53.7	-49	174.9	-80	162.8	128	164.2	0	112.6	Q1220 D1222 E1223 V1224 R1230	Q1220-K1226 VanDerWaalsContact O-CD 3.23Å; Q1220-K1226 WeakPolarHBondContact O-CD 3.2Å; Q1220-K1226 WeakPolarHBondContact O-CE 3.14Å; Q1220-K1226 PolarHBondContact O-NZ 2.89Å; D1222-K1226 WeakPolarHBondContact O-CB 3.5Å; D1222-K1226 WeakPolarHBondContact O-CG 3.3Å; D1222-K1226 PolarHBondContact O-N 2.92Å; E1223-K1226 WeakPolarHBondContact OE1-CD 3.48Å; E1223-K1226 IonicContact OE1-NZ 2.68Å; E1223-K1226 PolarHBondContact OE1-NZ 2.83Å; V1224-K1226 PolarHBondContact O-N 2.93Å; K1226-R1230 WeakPolarHBondContact O-CB 3.41Å; K1226-R1230 PolarHBondContact O-N 2.95Å
1227	Q	86.7	Confident	82.8	Confident	45 Å²	45	53.1 Å²	53.1	21%	0.21	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-41.4	-178.5	-171.3	-177.5	4.4	0	0	111.3	E1223 V1224 A1225 R1230 L1231	E1223-Q1227 WeakPolarHBondContact O-CB 3.14Å; V1224-Q1227 PolarHBondContact O-N 2.64Å; A1225-Q1227 PolarHBondContact O-N 2.96Å; Q1227-R1230 PolarHBondContact O-N 3.05Å; Q1227-L1231 HydrophobicContact CG-CD1 3.9Å; Q1227-L1231 HydrophobicContact CG-CG 4.31Å; Q1227-L1231 WeakPolarHBondContact O-CB 3.44Å; Q1227-L1231 WeakPolarHBondContact O-CG 3.32Å; Q1227-L1231 PolarHBondContact O-N 2.9Å
1228	F	90.8	Very high	81.6	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-60.3	-51.2	178	-171.8	-94.4	0	0	0	111.4	I1052 F1055 I1056 V1118 L1213 L1216 V1224 A1225 R1230 L1231 K1232	I1052-F1228 HydrophobicContact CD1-CB 4.18Å; I1052-F1228 HydrophobicContact CD1-CD2 4.23Å; I1052-F1228 HydrophobicContact CD1-CG 4.12Å; I1052-F1228 HydrophobicContact CG1-CD1 4.17Å; I1052-F1228 HydrophobicContact CG1-CD2 4.16Å; I1052-F1228 HydrophobicContact CG1-CE1 4.4Å; I1052-F1228 HydrophobicContact CG1-CE2 4.42Å; I1052-F1228 HydrophobicContact CG1-CG 4.02Å; I1052-F1228 HydrophobicContact CG2-CD2 4.05Å; I1052-F1228 HydrophobicContact CG2-CE2 3.77Å; I1052-F1228 HydrophobicContact CG2-CZ 4.2Å; F1055-F1228 HydrophobicContact CB-CE1 4.28Å; F1055-F1228 HydrophobicContact CB-CZ 4.18Å; F1055-F1228 AromaticContact CD1-CE1 3.95Å; F1055-F1228 HydrophobicContact CD1-CE1 3.95Å; F1055-F1228 AromaticContact CD1-CZ 3.49Å; F1055-F1228 HydrophobicContact CD1-CZ 3.49Å; F1055-F1228 VanDerWaalsContact CD1-CZ 3.49Å; F1055-F1228 HydrophobicContact CD2-CE1 4.16Å; F1055-F1228 HydrophobicContact CE1-CE1 4.32Å; F1055-F1228 AromaticContact CE1-CZ 3.95Å; F1055-F1228 HydrophobicContact CE1-CZ 3.95Å; F1055-F1228 AromaticContact CG-CE1 3.86Å; F1055-F1228 HydrophobicContact CG-CE1 3.86Å; F1055-F1228 AromaticContact CG-CZ 3.81Å; F1055-F1228 HydrophobicContact CG-CZ 3.81Å; I1056-F1228 HydrophobicContact CD1-CE2 4.25Å; I1056-F1228 HydrophobicContact CG1-CE2 4.44Å; I1056-F1228 HydrophobicContact CG1-CZ 4.42Å; V1118-F1228 HydrophobicContact CB-CD2 3.97Å; V1118-F1228 HydrophobicContact CB-CE2 4.17Å; V1118-F1228 HydrophobicContact CG1-CD2 4.38Å; V1118-F1228 HydrophobicContact CG2-CD2 4.18Å; V1118-F1228 HydrophobicContact CG2-CE2 3.92Å; L1213-F1228 HydrophobicContact CD2-CD1 3.95Å; L1213-F1228 HydrophobicContact CD2-CE1 3.92Å; L1216-F1228 HydrophobicContact CD1-CD1 3.76Å; L1216-F1228 HydrophobicContact CD1-CE1 3.99Å; V1224-F1228 WeakPolarHBondContact O-CB 3.26Å; V1224-F1228 PolarHBondContact O-N 2.85Å; A1225-F1228 PolarHBondContact O-N 3.09Å; F1228-R1230 PolarHBondContact O-N 3.12Å; F1228-L1231 PolarHBondContact O-N 3.47Å; F1228-K1232 HydrophobicContact CD1-CG 4.29Å; F1228-K1232 HydrophobicContact CE1-CG 3.96Å; F1228-K1232 HydrophobicContact CZ-CG 4.08Å; F1228-K1232 WeakPolarHBondContact O-CG 3.48Å; F1228-K1232 PolarHBondContact O-N 3.47Å
1229	V	87.2	Confident	80.2	Confident	22 Å²	22	60.5 Å²	60.5	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-50.5	176.4	171.2	0	0	0	0	110.3	L1213 L1216 A1225 L1231 K1232 T1233	L1213-V1229 HydrophobicContact CD2-CG2 4.09Å; L1216-V1229 HydrophobicContact CB-CG2 3.57Å; A1225-V1229 WeakPolarHBondContact O-CB 3.12Å; A1225-V1229 VanDerWaalsContact O-CG2 3.31Å; A1225-V1229 WeakPolarHBondContact O-CG2 3.34Å; A1225-V1229 PolarHBondContact O-N 3.18Å; V1229-L1231 PolarHBondContact O-N 2.88Å; V1229-K1232 PolarHBondContact O-N 2.68Å; V1229-T1233 HydrophobicContact CG1-CG2 4.36Å; V1229-T1233 WeakPolarHBondContact O-CG2 3.14Å; V1229-T1233 PolarHBondContact O-N 3.26Å; V1229-T1233 PolarHBondContact O-OG1 2.83Å
1230	R	86.7	Confident	77.9	Confident	132 Å²	132	65.9 Å²	65.9	50%	0.498	32%	0.317	S	S	.	.	H	α-helix	trans	-52.7	-54.8	176.4	177.8	-173.2	168.9	155.1	10.1	111.5	K1226 Q1227 F1228 K1232 T1233 E1234	K1226-R1230 WeakPolarHBondContact O-CB 3.41Å; K1226-R1230 PolarHBondContact O-N 2.95Å; Q1227-R1230 PolarHBondContact O-N 3.05Å; F1228-R1230 PolarHBondContact O-N 3.12Å; R1230-K1232 VanDerWaalsContact C-N 3.28Å; R1230-K1232 PolarHBondContact O-N 2.86Å; R1230-T1233 PolarHBondContact O-N 2.89Å; R1230-T1233 VanDerWaalsContact O-N 3.17Å; R1230-T1233 PolarHBondContact O-OG1 2.79Å; R1230-E1234 IonicContact CZ-OE1 2.64Å; R1230-E1234 IonicContact NE-OE1 3.5Å; R1230-E1234 IonicContact NE-OE2 3.29Å; R1230-E1234 IonicContact NH2-OE1 3.36Å; R1230-E1234 PolarHBondContact NH2-OE1 3.03Å; R1230-E1234 VanDerWaalsContact O-CB 3.29Å; R1230-E1234 WeakPolarHBondContact O-CB 3.19Å; R1230-E1234 PolarHBondContact O-N 3.19Å
1231	L	89	Confident	76.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-61.8	-36.2	-174.8	-75	171.2	0	0	0	112.6	H1116 V1118 I1162 Q1203 Q1227 F1228 V1229	H1116-L1231 HydrophobicContact CB-CD1 3.95Å; H1116-L1231 HydrophobicContact CB-CD2 4.4Å; V1118-L1231 HydrophobicContact CG1-CD1 3.6Å; I1162-L1231 HydrophobicContact CD1-CB 4Å; I1162-L1231 HydrophobicContact CD1-CD1 4.5Å; Q1203-L1231 PolarHBondContact NE2-O 2.98Å; Q1227-L1231 HydrophobicContact CG-CD1 3.9Å; Q1227-L1231 HydrophobicContact CG-CG 4.31Å; Q1227-L1231 WeakPolarHBondContact O-CB 3.44Å; Q1227-L1231 WeakPolarHBondContact O-CG 3.32Å; Q1227-L1231 PolarHBondContact O-N 2.9Å; F1228-L1231 PolarHBondContact O-N 3.47Å; V1229-L1231 PolarHBondContact O-N 2.88Å
1232	K	88.3	Confident	74	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.022	33%	0.325	C	S	.	.	H	α-helix	trans	-76.5	-27	176.9	-68.7	-61.3	-176.9	177.5	0	113.6	F1055 E1160 I1162 I1205 L1213 F1228 V1229 R1230	F1055-K1232 HydrophobicContact CE1-CD 3.86Å; F1055-K1232 VanDerWaalsContact CE1-CE 3.43Å; F1055-K1232 HydrophobicContact CE1-CG 4.24Å; F1055-K1232 HydrophobicContact CZ-CD 3.91Å; F1055-K1232 HydrophobicContact CZ-CG 4.07Å; E1160-K1232 WeakPolarHBondContact OE1-CE 3.43Å; E1160-K1232 IonicContact OE1-NZ 2.7Å; E1160-K1232 PolarHBondContact OE1-NZ 2.97Å; E1160-K1232 IonicContact OE2-NZ 3.55Å; E1160-K1232 PolarHBondContact OE2-NZ 2.89Å; I1162-K1232 HydrophobicContact CD1-CD 4.43Å; I1205-K1232 HydrophobicContact CD1-CB 4Å; I1205-K1232 HydrophobicContact CD1-CD 4.48Å; I1205-K1232 WeakPolarHBondContact CD1-O 3.31Å; L1213-K1232 HydrophobicContact CD1-CB 3.87Å; L1213-K1232 HydrophobicContact CD2-CB 3.77Å; L1213-K1232 HydrophobicContact CD2-CG 4.14Å; F1228-K1232 HydrophobicContact CD1-CG 4.29Å; F1228-K1232 HydrophobicContact CE1-CG 3.96Å; F1228-K1232 HydrophobicContact CZ-CG 4.08Å; F1228-K1232 WeakPolarHBondContact O-CG 3.48Å; F1228-K1232 PolarHBondContact O-N 3.47Å; V1229-K1232 PolarHBondContact O-N 2.68Å; R1230-K1232 VanDerWaalsContact C-N 3.28Å; R1230-K1232 PolarHBondContact O-N 2.86Å
1233	T	83.9	Confident	71.3	Confident	55 Å²	55	68.5 Å²	68.5	34%	0.337	35%	0.35	S	S	.	.	H	α-helix	trans	-100.5	-15	-178.8	61.5	0	0	0	0	115.4	V1229 R1230 S1235	V1229-T1233 HydrophobicContact CG1-CG2 4.36Å; V1229-T1233 WeakPolarHBondContact O-CG2 3.14Å; V1229-T1233 PolarHBondContact O-N 3.26Å; V1229-T1233 PolarHBondContact O-OG1 2.83Å; R1230-T1233 PolarHBondContact O-N 2.89Å; R1230-T1233 VanDerWaalsContact O-N 3.17Å; R1230-T1233 PolarHBondContact O-OG1 2.79Å; T1233-S1235 PolarHBondContact O-N 3.31Å
1234	E	83	Confident	68.5	Low	25 Å²	25	69.1 Å²	69.1	12%	0.117	36%	0.362	C	S	.	.			trans	-65.7	123.2	-178.3	-165.3	168.3	-153.3	0	0	110.9	Q1164 K1166 L1176 R1230	Q1164-E1234 PolarHBondContact NE2-OE2 2.93Å; Q1164-E1234 PolarHBondContact OE1-OE2 3.12Å; K1166-E1234 IonicContact NZ-OE1 2.94Å; K1166-E1234 IonicContact NZ-OE2 2.68Å; L1176-E1234 HydrophobicContact CD2-CG 4.36Å; R1230-E1234 IonicContact CZ-OE1 2.64Å; R1230-E1234 IonicContact NE-OE1 3.5Å; R1230-E1234 IonicContact NE-OE2 3.29Å; R1230-E1234 IonicContact NH2-OE1 3.36Å; R1230-E1234 PolarHBondContact NH2-OE1 3.03Å; R1230-E1234 VanDerWaalsContact O-CB 3.29Å; R1230-E1234 WeakPolarHBondContact O-CB 3.19Å; R1230-E1234 PolarHBondContact O-N 3.19Å
1235	S	81.9	Confident	65.6	Low	46 Å²	46	74.9 Å²	74.9	32%	0.322	40%	0.4	S	S	.	.			trans	-128.4	159.4	-175.7	66	0	0	0	0	113	R1201 T1233 Y1237	R1201-S1235 WeakPolarHBondContact O-CA 3.2Å; T1233-S1235 PolarHBondContact O-N 3.31Å; S1235-Y1237 WeakPolarHBondContact O-CE2 3.46Å
1236	R	81.1	Confident	62.9	Low	44 Å²	44	79.8 Å²	79.8	17%	0.166	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-63.2	147.6	175.9	-173	-163.9	168.3	121.2	-11.4	111.1	R1102 W1103 L1176 I1177 R1201	R1102-R1236 VanDerWaalsContact O-CZ 3.23Å; R1102-R1236 PolarHBondContact O-NH1 3.32Å; R1102-R1236 PolarHBondContact O-NH2 3.1Å; W1103-R1236 HydrophobicContact CZ3-CG 3.77Å; L1176-R1236 WeakPolarHBondContact O-CG 3.46Å; I1177-R1236 WeakPolarHBondContact O-CD 3.45Å; I1177-R1236 WeakPolarHBondContact O-CG 3.44Å; I1177-R1236 PolarHBondContact O-NH1 2.95Å; R1201-R1236 HydrophobicContact CB-CB 3.97Å; R1201-R1236 HydrophobicContact CG-CB 4.48Å; R1201-R1236 WeakPolarHBondContact O-CB 3.46Å; R1201-R1236 PolarHBondContact O-N 2.82Å
1237	Y	67.3	Low	60.1	Low	58 Å²	58	81.5 Å²	81.5	23%	0.227	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-84.5	123.7	176.7	-78.1	-106.2	0	0	0	110.4	P959 N960 S1235	P959-Y1237 HydrophobicContact CB-CD1 3.76Å; P959-Y1237 HydrophobicContact CB-CE1 3.31Å; N960-Y1237 WeakPolarHBondContact CA-OH 3.36Å; N960-Y1237 HydrophobicContact CB-CE1 3.69Å; N960-Y1237 HydrophobicContact CB-CE2 4.29Å; N960-Y1237 VanDerWaalsContact CB-CZ 3.43Å; N960-Y1237 WeakPolarHBondContact CB-OH 3.42Å; N960-Y1237 PolarHBondContact N-OH 2.96Å; N960-Y1237 PolarHBondContact OD1-OH 3.29Å; S1235-Y1237 WeakPolarHBondContact O-CE2 3.46Å
1238	E	55.3	Low	57.2	Low	141 Å²	141	88.7 Å²	88.7	66%	0.659	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-92.1	116.5	163	-68.3	-175	161.5	0	0	107.6	R1201	R1201-E1238 IonicContact CZ-OE1 3.88Å; R1201-E1238 IonicContact NH1-OE1 2.73Å; R1201-E1238 PolarHBondContact NH1-OE1 2.99Å
1239	S	47.5	Very low	54.2	Low	90 Å²	90	93.7 Å²	93.7	63%	0.629	51%	0.514	S	S	*	.			trans	-111.9	122.8	178.2	54.4	0	0	0	0	109.5	L1241	S1239-L1241 PolarHBondContact O-N 2.75Å
1240	D	29.8	Very low	51.3	Low	165 Å²	165	101.4 Å²	101.4	88%	0.882	55%	0.553	S	S	*	*			trans	-53.9	125.8	-172.4	-60.4	-68.5	0	0	0	114.1
1241	L	32.9	Very low	48.5	Very low	121 Å²	121	100.6 Å²	100.6	63%	0.634	56%	0.559	S	S	*	*			trans	-122.7	107.6	161.4	-95.8	86.1	0	0	0	110.7	S1239	S1239-L1241 PolarHBondContact O-N 2.75Å
1242	H	32.1	Very low	45.6	Very low	158 Å²	158	108.7 Å²	108.7	73%	0.731	59%	0.594	S	S	*	*			trans	62	87.5	148.4	-56.4	-62.4	0	0	0	120.6
1243	S	27.1	Very low	42.7	Very low	109 Å²	109	118.1 Å²	118.1	76%	0.762	64%	0.641	S	S	*	*				32.3	106.5	118.3	62.9	0	0	0	0	120.1
1244	T	26.6	Very low	40	Very low	126 Å²	126	120.6 Å²	120.6	77%	0.773	66%	0.66	S	S	*	*			trans	-143.3	134.9	140.7	30.5	0	0	0	0	109.8
1245	P	28.1	Very low	37.6	Very low	136 Å²	136	125.3 Å²	125.3	88%	0.883	70%	0.696	S	S	*	*			trans	-91.3	111.3	175.3	33.2	-29.2	0	0	0	110.7
1246	S	30.7	Very low	35.2	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	72%	0.722	S	S	*	*			trans	-142.3	106.6	170.9	59.2	0	0	0	0	112.4
1247	T	26.9	Very low	32.9	Very low	123 Å²	123	131.8 Å²	131.8	76%	0.755	76%	0.755	S	S	*	*			trans	-26	137.4	158.8	38.5	0	0	0	0	117.7
1248	F	24.8	Very low	31.3	Very low	197 Å²	197	133.4 Å²	133.4	86%	0.864	78%	0.781	S	S	*	*			trans	61	141.9	154.7	-75.6	-113.4	0	0	0	115.4
1249	V	28	Very low	30.5	Very low	108 Å²	108	131.7 Å²	131.7	66%	0.655	79%	0.791	S	S	*	*			cis	-145	139.4	36.4	176.5	0	0	0	0	109.8	D1251	V1249-D1251 HydrophobicContact CG1-CB 3.84Å; V1249-D1251 PolarHBondContact O-N 3.39Å
1250	L	26.4	Very low	29.5	Very low	184 Å²	184	137.4 Å²	137.4	96%	0.963	82%	0.822	S	S	*	*			trans	-80.2	95.3	160.8	-99.1	160.7	0	0	0	108.2
1251	D	28	Very low	29.5	Very low	116 Å²	116	136.1 Å²	136.1	62%	0.62	82%	0.818	S	S	*	*			trans	-117.6	150.6	176.4	-130.6	-26.4	0	0	0	114.1	V1249	V1249-D1251 HydrophobicContact CG1-CB 3.84Å; V1249-D1251 PolarHBondContact O-N 3.39Å
1252	K	27.9	Very low	29.3	Very low	171 Å²	171	136.8 Å²	136.8	74%	0.743	83%	0.828	S	S	*	*			trans	-60.7	143.2	-164.8	-57.2	136.6	-173.7	153.3	0	113.9
1253	M	27.6	Very low	29.1	Very low	204 Å²	204	135.7 Å²	135.7	100%	1.005	83%	0.834	S	S	*	*			trans	-114.3	88.5	141.7	-78.3	-167.6	170.9	0	0	109.6
1254	S	26.9	Very low	29.2	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	84%	0.838	S	S	*	*			trans	-159.3	69.7	172.5	170.4	0	0	0	0	110.7
1255	S	31.6	Very low	29.4	Very low	125 Å²	125	137.9 Å²	137.9	87%	0.874	84%	0.842	S	S	*	*			trans	179.6	136.5	160.9	51.6	0	0	0	0	110.2
1256	G	31.5	Very low	29.5	Very low	84 Å²	84	138.1 Å²	138.1	87%	0.866	84%	0.839	S	S	*	*			trans	153.4	79.8	170.5	0	0	0	0	0	114.7
1257	T	33.1	Very low	29.4	Very low	141 Å²	141	140.5 Å²	140.5	87%	0.865	85%	0.847	S	S	*	*			trans	-82.4	156.6	169.1	37.7	0	0	0	0	112.9
1258	A	34.5	Very low	29.6	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	85%	0.854	S	S	*	*			trans	78.5	97.6	153	0	0	0	0	0	119.5
1259	A	37.4	Very low	30	Very low	104 Å²	104	137.3 Å²	137.3	86%	0.86	85%	0.853	S	S	*	*			trans	176.4	112.3	130.4	0	0	0	0	0	106.3
1260	V	27	Very low	30.2	Very low	211 Å²	211	139.9 Å²	139.9	100%	1.279	87%	0.871	S	S	*	*			cis	-62.4	0	7.1	-173.5	0	0	0	0	114.5

Retrieved 1,260 of 1,260 residues in 1164.6 ms (Link to these results)

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