A0A5K4FBA5_SCHMA Loading...

Septin and tuftelin-interacting protein 1

AlphaFold DB , UniProt , Accession A0A5K4FBA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 863 aa.

						>A0A5K4FBA5_SCHMA|A0A5K4FBA5
MGSSPEMERFGLSDVEYSFMMDPLKRRPKQSKKQTVYGIFASDDSDSEPERSGFGGREGGFKRKGANYSAPITFVSGGVKAGAGSSSGPKETNEEADQISDDEDDKSVLRSLHPYHDSDSDSPNSDIYRKPDKPASISVGASRRVAAAAAAAKSATSGFGAWERHTKGIGMKLLEQMGYEPGKGLGSDGRGIVTPVQAVQRVGKVSVGYYGSEKAPAPRRGNETVPEDSDPIGPRYKKRPGLQRSQASKPIQEYKTTEELVADLCPATPATAVRRYGIFLENSELSKVKVIDMTSKEQKVYSGYEAALSRVVQRRRKPGDNSTLSDEEDPDIDGKRIEKRLEGNFFDCPALRHNFALIMRSAEDEIKRFDRAARFEEDRAVGLEHEIEKLTEIVNGEESEVNQLNKALILIKKFEDEFTFHSGCDTNLTSEAISSWVSLIREECANLVEMPVLMASIARPMLDNSLAKWNPLKEPTFCLDLLGHWRDFFQNSCAFDVILETSWLSAIRRTIVNEWNPRDCEPLLEVLEAWQPLLPDDMLQRKILDQLILPKLQDAVSSWNPLTDTVPVHTWLHPWLPWFGGVERLSCLHDMVLQKLGSCLTNWHPSDASARSVLMPWRTIFPVTSMAAFLSRHVVPKLALALQQFQLNPAKQNMDPWNWVMRWADLIGPAVLVNLLEHHFWSRWLSVLSNWLNQGVEARQRGDHAAAGQVYQEVGRWYAGWKGQLPPECMEYASVKDALTKALAMMERSMRGLPPQEPQISKQSQSDVSRFPAGSSCVLPPAFGSTPLVAPPPTTLRKQVEQVAAQRGFLFHPISNRMFEGQQVYRLESLQVFFDRNVSYVYNPSDGGWLPVTFAELMARAQY
					

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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	38	Very low	48.4	Very low	253 Å²	253	152.8 Å²	152.8	100%	1.246	84%	0.836	S	S	*	*				0	83.5	0	-66.5	-73.3	-129	0	0	107.4
2	G	43.4	Very low	49.7	Very low	83 Å²	83	148.3 Å²	148.3	86%	0.856	81%	0.809	S	S	*	*			trans	-160	24.9	-167.3	0	0	0	0	0	116.2
3	S	45.3	Very low	51.3	Low	114 Å²	114	140.9 Å²	140.9	80%	0.797	78%	0.775	S	S	*	*			trans	-106.2	83.5	168.2	59.6	0	0	0	0	107.9
4	S	41.3	Very low	53	Low	116 Å²	116	140.9 Å²	140.9	81%	0.811	77%	0.774	S	S	*	*			trans	-63.6	129.4	162.3	-89	0	0	0	0	107.4	E6	S4-E6 PolarHBondContact O-N 3.39Å
5	P	48.8	Very low	54.2	Low	107 Å²	107	137.5 Å²	137.5	70%	0.695	76%	0.758	S	S	*	*			trans	-57.3	138.8	172.8	24.3	-31.6	0	0	0	108.9	M7	P5-M7 VanDerWaalsContact C-N 3.27Å; P5-M7 PolarHBondContact O-N 2.99Å
6	E	47.8	Very low	55.3	Low	194 Å²	194	134.9 Å²	134.9	91%	0.907	74%	0.739	S	S	*	*			trans	-55	95.1	169.4	-78.7	173.1	147.3	0	0	108.2	S4 E8	S4-E6 PolarHBondContact O-N 3.39Å; E6-E8 PolarHBondContact O-N 3.23Å
7	M	47.6	Very low	56.6	Low	159 Å²	159	134.3 Å²	134.3	78%	0.783	72%	0.724	S	S	*	*			trans	-78.6	104	173.3	-164.6	83.5	179.6	0	0	106	P5 R9	P5-M7 VanDerWaalsContact C-N 3.27Å; P5-M7 PolarHBondContact O-N 2.99Å; M7-R9 PolarHBondContact O-N 3.43Å
8	E	55.3	Low	57.5	Low	158 Å²	158	129.2 Å²	129.2	74%	0.738	70%	0.701	S	S	*	*			trans	-55.8	126.6	174.3	-71.5	178.3	171.8	0	0	109.3	E6 F10	E6-E8 PolarHBondContact O-N 3.23Å; E8-F10 PolarHBondContact O-N 3.07Å
9	R	49.9	Very low	58.3	Low	242 Å²	242	124.5 Å²	124.5	91%	0.913	67%	0.673	S	S	*	*			trans	-75.4	111.2	-179.2	-73.4	-178.3	176.4	174.7	-0.8	108.8	M7 G11	M7-R9 PolarHBondContact O-N 3.43Å; R9-G11 PolarHBondContact O-N 3.36Å
10	F	54.9	Low	59.2	Low	199 Å²	199	124.8 Å²	124.8	87%	0.873	67%	0.672	S	S	*	*			trans	-71.3	45.1	165.9	-64.4	-82.4	0	0	0	112	E8	E8-F10 PolarHBondContact O-N 3.07Å
11	G	60.2	Low	60.3	Low	56 Å²	56	126.6 Å²	126.6	58%	0.577	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-88.2	140.2	176.7	0	0	0	0	0	110.6	R9 S13	R9-G11 PolarHBondContact O-N 3.36Å; G11-S13 PolarHBondContact O-N 3.45Å
12	L	63.5	Low	62.3	Low	98 Å²	98	118.4 Å²	118.4	51%	0.513	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-58.9	129.4	165.2	-71.1	166.9	0	0	0	108.9	E16 Y17	L12-E16 WeakPolarHBondContact CA-OE2 3.48Å; L12-E16 HydrophobicContact CD2-CB 4.3Å; L12-Y17 HydrophobicContact CB-CD2 4.08Å; L12-Y17 HydrophobicContact CB-CE2 3.93Å
13	S	71.5	Confident	63.7	Low	53 Å²	53	119.7 Å²	119.7	37%	0.371	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-68.7	154.7	177	63	0	0	0	0	111.2	G11 V15 E16 Y17	G11-S13 PolarHBondContact O-N 3.45Å; S13-V15 PolarHBondContact O-N 2.93Å; S13-V15 VanDerWaalsContact O-N 3.11Å; S13-E16 PolarHBondContact N-OE2 3.32Å; S13-E16 WeakPolarHBondContact O-CA 3.42Å; S13-E16 WeakPolarHBondContact O-CB 3.37Å; S13-E16 PolarHBondContact O-N 3.02Å; S13-E16 VanDerWaalsContact OG-CG 3.31Å; S13-E16 WeakPolarHBondContact OG-CG 3.42Å; S13-E16 PolarHBondContact OG-N 3.37Å; S13-E16 PolarHBondContact OG-OE2 2.73Å; S13-Y17 PolarHBondContact O-N 2.77Å
14	D	74.7	Confident	65.3	Low	140 Å²	140	122 Å²	122	75%	0.749	64%	0.635	S	S	*	*	H	α-helix	trans	-58.5	-27	175.7	-70	-19.5	0	0	0	112.4	S18	D14-S18 WeakPolarHBondContact O-CB 3.4Å; D14-S18 PolarHBondContact O-N 3.22Å
15	V	70.7	Confident	67.1	Low	90 Å²	90	121.7 Å²	121.7	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-68.4	-43.3	173.9	-178.1	0	0	0	0	110.7	S13 S18 F19	S13-V15 PolarHBondContact O-N 2.93Å; S13-V15 VanDerWaalsContact O-N 3.11Å; V15-S18 PolarHBondContact O-N 2.98Å; V15-F19 HydrophobicContact CG1-CD2 4.27Å; V15-F19 HydrophobicContact CG1-CE2 4.5Å; V15-F19 WeakPolarHBondContact O-CD2 3.34Å; V15-F19 PolarHBondContact O-N 2.97Å; V15-F19 VanDerWaalsContact O-N 3.1Å
16	E	72.3	Confident	68	Low	97 Å²	97	127.7 Å²	127.7	45%	0.453	63%	0.628	S	S	.	*	H	α-helix	trans	-65.3	-42.3	174.6	-72.4	165	149.6	0	0	111.4	L12 S13 S18 F19 M20	L12-E16 WeakPolarHBondContact CA-OE2 3.48Å; L12-E16 HydrophobicContact CD2-CB 4.3Å; S13-E16 PolarHBondContact N-OE2 3.32Å; S13-E16 WeakPolarHBondContact O-CA 3.42Å; S13-E16 WeakPolarHBondContact O-CB 3.37Å; S13-E16 PolarHBondContact O-N 3.02Å; S13-E16 VanDerWaalsContact OG-CG 3.31Å; S13-E16 WeakPolarHBondContact OG-CG 3.42Å; S13-E16 PolarHBondContact OG-N 3.37Å; S13-E16 PolarHBondContact OG-OE2 2.73Å; E16-S18 VanDerWaalsContact C-N 3.34Å; E16-S18 PolarHBondContact O-N 3.06Å; E16-F19 WeakPolarHBondContact O-CB 3.35Å; E16-F19 PolarHBondContact O-N 2.84Å; E16-F19 VanDerWaalsContact O-N 3.07Å; E16-M20 PolarHBondContact O-N 3.13Å
17	Y	76.5	Confident	68.9	Low	124 Å²	124	128.2 Å²	128.2	49%	0.486	62%	0.621	S	S	.	*	H	α-helix	trans	-57.4	-45.8	171.8	-97.6	-72.7	0	0	0	112	L12 S13 F19 M20 M21	L12-Y17 HydrophobicContact CB-CD2 4.08Å; L12-Y17 HydrophobicContact CB-CE2 3.93Å; S13-Y17 PolarHBondContact O-N 2.77Å; Y17-F19 PolarHBondContact O-N 2.99Å; Y17-M20 HydrophobicContact CD1-CE 4.46Å; Y17-M20 HydrophobicContact CE1-CE 4.36Å; Y17-M20 PolarHBondContact O-N 3.46Å; Y17-M21 WeakPolarHBondContact O-CG 3.34Å; Y17-M21 PolarHBondContact O-N 2.87Å
18	S	74.3	Confident	70	Confident	43 Å²	43	125.4 Å²	125.4	30%	0.301	62%	0.615	S	S	.	*	H	α-helix	trans	-61.8	-27.7	176.9	174.8	0	0	0	0	112.7	D14 V15 E16 K25	D14-S18 WeakPolarHBondContact O-CB 3.4Å; D14-S18 PolarHBondContact O-N 3.22Å; V15-S18 PolarHBondContact O-N 2.98Å; E16-S18 VanDerWaalsContact C-N 3.34Å; E16-S18 PolarHBondContact O-N 3.06Å; S18-K25 PolarHBondContact OG-NZ 2.91Å
19	F	71.8	Confident	70.7	Confident	39 Å²	39	127.6 Å²	127.6	17%	0.171	62%	0.622	C	S	.	*	H	α-helix	trans	-83	-37	178.2	-101.7	-80.8	0	0	0	112.8	V15 E16 Y17 M21 D22 K25 R27	V15-F19 HydrophobicContact CG1-CD2 4.27Å; V15-F19 HydrophobicContact CG1-CE2 4.5Å; V15-F19 WeakPolarHBondContact O-CD2 3.34Å; V15-F19 PolarHBondContact O-N 2.97Å; V15-F19 VanDerWaalsContact O-N 3.1Å; E16-F19 WeakPolarHBondContact O-CB 3.35Å; E16-F19 PolarHBondContact O-N 2.84Å; E16-F19 VanDerWaalsContact O-N 3.07Å; Y17-F19 PolarHBondContact O-N 2.99Å; F19-M21 PolarHBondContact O-N 3.12Å; F19-D22 CarbonylContact O-C 3.59Å; F19-D22 VanDerWaalsContact O-C 3.25Å; F19-D22 PolarHBondContact O-N 3.12Å; F19-D22 VanDerWaalsContact O-N 3.13Å; F19-K25 HydrophobicContact CD1-CB 4.49Å; F19-K25 HydrophobicContact CE1-CB 3.99Å; F19-K25 WeakPolarHBondContact CE1-O 3.4Å; F19-K25 HydrophobicContact CZ-CB 4.11Å; F19-K25 HydrophobicContact CZ-CG 4.39Å; F19-R27 HydrophobicContact CD1-CG 4.48Å; F19-R27 HydrophobicContact CE1-CG 3.62Å; F19-R27 HydrophobicContact CE2-CG 4.15Å; F19-R27 HydrophobicContact CZ-CB 4.14Å; F19-R27 HydrophobicContact CZ-CG 3.47Å; F19-R27 VanDerWaalsContact CZ-CG 3.47Å
20	M	77.3	Confident	71.6	Confident	131 Å²	131	122.8 Å²	122.8	65%	0.645	61%	0.61	S	S	*	*	H	α-helix	trans	-62.2	-31.2	177.2	-149.7	170.1	72.4	0	0	111.4	E16 Y17	E16-M20 PolarHBondContact O-N 3.13Å; Y17-M20 HydrophobicContact CD1-CE 4.46Å; Y17-M20 HydrophobicContact CE1-CE 4.36Å; Y17-M20 PolarHBondContact O-N 3.46Å
21	M	80.7	Confident	72.5	Confident	162 Å²	162	116.2 Å²	116.2	80%	0.798	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-19	176.3	-61	-65.5	-98.8	0	0	113.9	Y17 F19	Y17-M21 WeakPolarHBondContact O-CG 3.34Å; Y17-M21 PolarHBondContact O-N 2.87Å; F19-M21 PolarHBondContact O-N 3.12Å
22	D	80.2	Confident	73.2	Confident	81 Å²	81	122.4 Å²	122.4	43%	0.433	60%	0.6	S	S	.	*			trans	-147.1	81.5	-177.5	-161.6	-2.2	0	0	0	112	F19 L24 K25	F19-D22 CarbonylContact O-C 3.59Å; F19-D22 VanDerWaalsContact O-C 3.25Å; F19-D22 PolarHBondContact O-N 3.12Å; F19-D22 VanDerWaalsContact O-N 3.13Å; D22-L24 PolarHBondContact O-N 3.19Å; D22-L24 VanDerWaalsContact O-N 3.08Å; D22-K25 WeakPolarHBondContact O-CB 3.44Å; D22-K25 PolarHBondContact O-N 3.31Å; D22-K25 VanDerWaalsContact O-N 3.13Å
23	P	73.9	Confident	73.4	Confident	111 Å²	111	124.4 Å²	124.4	72%	0.721	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-12.5	-174.7	22.7	-31.5	0	0	0	114.1
24	L	77.6	Confident	73.4	Confident	162 Å²	162	125.4 Å²	125.4	85%	0.848	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-7.5	177.8	-63.8	176.6	0	0	0	113.4	D22	D22-L24 PolarHBondContact O-N 3.19Å; D22-L24 VanDerWaalsContact O-N 3.08Å
25	K	78.8	Confident	73.2	Confident	109 Å²	109	123.3 Å²	123.3	47%	0.474	60%	0.596	S	S	.	*	S	Bend	trans	-66.4	142.8	179.7	-158.9	168.3	-179.2	176.6	0	110.7	S18 F19 D22	S18-K25 PolarHBondContact OG-NZ 2.91Å; F19-K25 HydrophobicContact CD1-CB 4.49Å; F19-K25 HydrophobicContact CE1-CB 3.99Å; F19-K25 WeakPolarHBondContact CE1-O 3.4Å; F19-K25 HydrophobicContact CZ-CB 4.11Å; F19-K25 HydrophobicContact CZ-CG 4.39Å; D22-K25 WeakPolarHBondContact O-CB 3.44Å; D22-K25 PolarHBondContact O-N 3.31Å; D22-K25 VanDerWaalsContact O-N 3.13Å
26	R	69	Low	73.4	Confident	233 Å²	233	124 Å²	124	88%	0.879	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-79.2	125.5	178.8	-79.9	-175.2	161	178.9	-1.9	111.1
27	R	66.1	Low	73.4	Confident	205 Å²	205	126.1 Å²	126.1	77%	0.774	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-63.8	137.3	172.1	-74.3	-176.8	167.2	178.8	-4.8	110.5	F19	F19-R27 HydrophobicContact CD1-CG 4.48Å; F19-R27 HydrophobicContact CE1-CG 3.62Å; F19-R27 HydrophobicContact CE2-CG 4.15Å; F19-R27 HydrophobicContact CZ-CB 4.14Å; F19-R27 HydrophobicContact CZ-CG 3.47Å; F19-R27 VanDerWaalsContact CZ-CG 3.47Å
28	P	70	Confident	73.2	Confident	100 Å²	100	122.1 Å²	122.1	65%	0.649	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-58.7	146.8	166.9	25.1	-31	0	0	0	109.5	Q30	P28-Q30 PolarHBondContact O-N 2.95Å
29	K	70.6	Confident	72.9	Confident	205 Å²	205	127.5 Å²	127.5	89%	0.891	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-60.4	129.2	175.3	-72.5	-179.6	179.5	175.1	0	108.5	S31	K29-S31 PolarHBondContact O-N 3.42Å
30	Q	69.1	Low	72.3	Confident	141 Å²	141	133.7 Å²	133.7	66%	0.659	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-56.3	130.7	175.9	-76.3	178.9	-32.6	0	0	110.4	P28 Q34	P28-Q30 PolarHBondContact O-N 2.95Å; Q30-Q34 HydrophobicContact CB-CB 4.31Å
31	S	74.7	Confident	71.9	Confident	60 Å²	60	128.3 Å²	128.3	42%	0.42	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-61.3	151.1	169.8	163	0	0	0	0	110	K29 K33 Q34 T35	K29-S31 PolarHBondContact O-N 3.42Å; S31-K33 PolarHBondContact O-N 3.3Å; S31-K33 VanDerWaalsContact O-N 3.1Å; S31-K33 PolarHBondContact OG-N 2.95Å; S31-Q34 CarbonylContact O-C 3.6Å; S31-Q34 WeakPolarHBondContact O-CA 3.44Å; S31-Q34 WeakPolarHBondContact O-CB 3.47Å; S31-Q34 PolarHBondContact O-N 2.68Å; S31-T35 PolarHBondContact O-N 3.42Å; S31-T35 PolarHBondContact O-OG1 3.31Å
32	K	73.2	Confident	70.7	Confident	187 Å²	187	124.7 Å²	124.7	81%	0.813	62%	0.619	S	S	*	*	H	α-helix	trans	-53.7	-31.6	173.1	-135.8	172.7	-173.6	176.3	0	111.9	V36	K32-V36 VanDerWaalsContact O-CG2 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.47Å; K32-V36 PolarHBondContact O-N 3.14Å
33	K	67.8	Low	69.2	Low	140 Å²	140	128.1 Å²	128.1	61%	0.609	64%	0.638	S	S	*	*	H	α-helix	trans	-73	-42.4	174.1	-70.9	-174.6	178.8	178.8	0	112	S31 T35 V36 Y37	S31-K33 PolarHBondContact O-N 3.3Å; S31-K33 VanDerWaalsContact O-N 3.1Å; S31-K33 PolarHBondContact OG-N 2.95Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.06Å; K33-V36 PolarHBondContact O-N 3.26Å; K33-V36 VanDerWaalsContact O-N 3.08Å; K33-Y37 HydrophobicContact CB-CD2 4.3Å; K33-Y37 VanDerWaalsContact O-CD2 3.29Å; K33-Y37 WeakPolarHBondContact O-CD2 3.31Å; K33-Y37 PolarHBondContact O-N 2.66Å
34	Q	71.3	Confident	67.5	Low	73 Å²	73	129.1 Å²	129.1	34%	0.341	64%	0.637	S	S	.	*	H	α-helix	trans	-62.8	-32.3	173.2	-76.8	175.1	-20.2	0	0	112.2	Q30 S31 V36 G38 A41	Q30-Q34 HydrophobicContact CB-CB 4.31Å; S31-Q34 CarbonylContact O-C 3.6Å; S31-Q34 WeakPolarHBondContact O-CA 3.44Å; S31-Q34 WeakPolarHBondContact O-CB 3.47Å; S31-Q34 PolarHBondContact O-N 2.68Å; Q34-V36 VanDerWaalsContact C-N 3.3Å; Q34-V36 PolarHBondContact O-N 2.85Å; Q34-G38 VanDerWaalsContact O-CA 3.23Å; Q34-G38 WeakPolarHBondContact O-CA 3.1Å; Q34-G38 PolarHBondContact O-N 3.27Å; Q34-A41 HydrophobicContact CG-CB 3.86Å
35	T	71.4	Confident	65.7	Low	97 Å²	97	125.7 Å²	125.7	60%	0.595	63%	0.627	S	S	*	*	H	α-helix	trans	-66.9	-32	173.6	-41	0	0	0	0	112.5	S31 K33	S31-T35 PolarHBondContact O-N 3.42Å; S31-T35 PolarHBondContact O-OG1 3.31Å; K33-T35 VanDerWaalsContact C-N 3.26Å; K33-T35 PolarHBondContact O-N 3.06Å
36	V	75.6	Confident	63.6	Low	104 Å²	104	128.7 Å²	128.7	63%	0.63	65%	0.648	S	S	*	*	H	α-helix	trans	-87.8	-38.6	-178.3	174.6	0	0	0	0	112	K32 K33 Q34	K32-V36 VanDerWaalsContact O-CG2 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.47Å; K32-V36 PolarHBondContact O-N 3.14Å; K33-V36 PolarHBondContact O-N 3.26Å; K33-V36 VanDerWaalsContact O-N 3.08Å; Q34-V36 VanDerWaalsContact C-N 3.3Å; Q34-V36 PolarHBondContact O-N 2.85Å
37	Y	71.9	Confident	61.9	Low	141 Å²	141	122.2 Å²	122.2	55%	0.553	64%	0.638	S	S	*	*	H	α-helix	trans	-112.4	-7.6	-170.2	-59.1	-71.5	0	0	0	114.1	K33 I39 F40	K33-Y37 HydrophobicContact CB-CD2 4.3Å; K33-Y37 VanDerWaalsContact O-CD2 3.29Å; K33-Y37 WeakPolarHBondContact O-CD2 3.31Å; K33-Y37 PolarHBondContact O-N 2.66Å; Y37-I39 PolarHBondContact O-N 3.25Å; Y37-F40 WeakPolarHBondContact O-CB 3.49Å; Y37-F40 PolarHBondContact O-N 3.5Å
38	G	72.7	Confident	60.2	Low	41 Å²	41	120.8 Å²	120.8	42%	0.423	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	60.2	-132	-179.7	0	0	0	0	0	112.3	Q34 F40 A41	Q34-G38 VanDerWaalsContact O-CA 3.23Å; Q34-G38 WeakPolarHBondContact O-CA 3.1Å; Q34-G38 PolarHBondContact O-N 3.27Å; G38-F40 PolarHBondContact O-N 3.42Å; G38-A41 PolarHBondContact O-N 2.95Å
39	I	66.4	Low	58.6	Low	156 Å²	156	121 Å²	121	80%	0.8	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-66	-14.6	175.6	60.2	170.5	0	0	0	113.6	Y37 A41	Y37-I39 PolarHBondContact O-N 3.25Å; I39-A41 VanDerWaalsContact C-N 3.34Å
40	F	59.8	Low	56.8	Low	168 Å²	168	120.2 Å²	120.2	74%	0.737	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-90.9	5.1	178.4	-56	-75.4	0	0	0	113.3	Y37 G38 S42	Y37-F40 WeakPolarHBondContact O-CB 3.49Å; Y37-F40 PolarHBondContact O-N 3.5Å; G38-F40 PolarHBondContact O-N 3.42Å; F40-S42 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 3.39Å
41	A	69.8	Low	55	Low	18 Å²	18	125.1 Å²	125.1	15%	0.149	65%	0.653	C	S	.	*	S	Bend	trans	-66.4	99.6	168.2	0	0	0	0	0	107.5	Q34 G38 I39 D43	Q34-A41 HydrophobicContact CG-CB 3.86Å; G38-A41 PolarHBondContact O-N 2.95Å; I39-A41 VanDerWaalsContact C-N 3.34Å; A41-D43 PolarHBondContact O-N 3.4Å
42	S	54.6	Low	53	Low	87 Å²	87	127.9 Å²	127.9	61%	0.608	67%	0.673	S	S	*	*			trans	-54.5	121.5	174.4	55.3	0	0	0	0	108.9	F40 D44	F40-S42 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 3.39Å; S42-D44 PolarHBondContact O-N 3.28Å
43	D	49.5	Very low	50.8	Low	153 Å²	153	122.1 Å²	122.1	82%	0.818	67%	0.667	S	S	*	*			trans	-72.2	33.2	175	-83.4	-23.2	0	0	0	111.9	A41 S45	A41-D43 PolarHBondContact O-N 3.4Å; D43-S45 PolarHBondContact O-N 3.5Å
44	D	37.8	Very low	48.7	Very low	131 Å²	131	125.7 Å²	125.7	70%	0.701	68%	0.683	S	S	*	*			trans	-81	123	179.7	-73.4	-33.1	0	0	0	110.3	S42	S42-D44 PolarHBondContact O-N 3.28Å
45	S	38.8	Very low	46.6	Very low	91 Å²	91	125.9 Å²	125.9	64%	0.636	70%	0.704	S	S	*	*			trans	97.2	92.4	165.7	-160.7	0	0	0	0	115.3	D43 S47	D43-S45 PolarHBondContact O-N 3.5Å; S45-S47 PolarHBondContact O-N 2.7Å; S45-S47 PolarHBondContact O-OG 3.07Å
46	D	34.8	Very low	44.6	Very low	172 Å²	172	125 Å²	125	92%	0.92	71%	0.714	S	S	*	*				29.6	24.3	107.2	-73.8	-16.6	0	0	0	118.9	E48	D46-E48 PolarHBondContact O-N 3.46Å
47	S	33.7	Very low	42.3	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	73%	0.727	S	S	*	*			trans	-91.7	82.6	169.4	47.4	0	0	0	0	107.5	S45 P49	S45-S47 PolarHBondContact O-N 2.7Å; S45-S47 PolarHBondContact O-OG 3.07Å; S47-P49 VanDerWaalsContact O-CD 3.26Å; S47-P49 WeakPolarHBondContact O-CD 3.5Å
48	E	30.2	Very low	40.1	Very low	175 Å²	175	134.6 Å²	134.6	82%	0.818	75%	0.747	S	S	*	*			trans	-33.2	109.3	160.7	-88.1	-78.6	136.5	0	0	109.4	D46 E50	D46-E48 PolarHBondContact O-N 3.46Å; E48-E50 PolarHBondContact O-N 3.5Å
49	P	36.7	Very low	38	Very low	104 Å²	104	135.1 Å²	135.1	68%	0.675	75%	0.752	S	S	*	*			trans	-70.7	110.5	178.8	25.5	-29.8	0	0	0	107.6	S47 R51	S47-P49 VanDerWaalsContact O-CD 3.26Å; S47-P49 WeakPolarHBondContact O-CD 3.5Å; P49-R51 PolarHBondContact O-N 3.3Å
50	E	32.4	Very low	36.2	Very low	188 Å²	188	131.8 Å²	131.8	88%	0.879	76%	0.756	S	S	*	*			trans	-46.4	103.5	169.7	-71.1	-167.3	165.6	0	0	109.4	E48 S52	E48-E50 PolarHBondContact O-N 3.5Å; E50-S52 PolarHBondContact O-N 3.01Å
51	R	31.6	Very low	34.8	Very low	244 Å²	244	133 Å²	133	92%	0.921	76%	0.762	S	S	*	*			trans	-68.9	82.8	172.6	-79.8	-179.3	174.4	174.6	0.1	107.8	P49 G53	P49-R51 PolarHBondContact O-N 3.3Å; R51-G53 PolarHBondContact O-N 3.01Å; R51-G53 VanDerWaalsContact O-N 3.14Å
52	S	33	Very low	33	Very low	119 Å²	119	142 Å²	142	83%	0.832	80%	0.797	S	S	*	*			trans	-55.9	119.4	165.2	61.5	0	0	0	0	108.5	E50	E50-S52 PolarHBondContact O-N 3.01Å
53	G	26.5	Very low	32.1	Very low	66 Å²	66	149.4 Å²	149.4	68%	0.68	81%	0.812	S	S	*	*			trans	-69.2	152.1	-170.3	0	0	0	0	0	113.8	R51	R51-G53 PolarHBondContact O-N 3.01Å; R51-G53 VanDerWaalsContact O-N 3.14Å
54	F	24.7	Very low	31.6	Very low	215 Å²	215	151.9 Å²	151.9	94%	0.943	82%	0.815	S	S	*	*				63	105.8	122.9	-146.9	-95.9	0	0	0	118.5
55	G	26.7	Very low	31.6	Very low	77 Å²	77	148.6 Å²	148.6	79%	0.794	81%	0.813	S	S	*	*			trans	88.4	107.5	137.5	0	0	0	0	0	116.8
56	G	29	Very low	31.8	Very low	77 Å²	77	147.7 Å²	147.7	79%	0.794	81%	0.81	S	S	*	*			trans	-179.7	77.1	170.3	0	0	0	0	0	115
57	R	27.5	Very low	32	Very low	242 Å²	242	146.3 Å²	146.3	91%	0.913	80%	0.803	S	S	*	*			trans	33.9	127.6	147.8	-74.8	178.6	169.6	174.3	-3.9	120.3	G59	R57-G59 PolarHBondContact O-N 3.43Å
58	E	26.6	Very low	32.9	Very low	206 Å²	206	152 Å²	152	96%	0.963	81%	0.811	S	S	*	*			trans	-35.3	115.2	151.2	-70.6	174.3	133.9	0	0	112.4
59	G	29	Very low	34.1	Very low	52 Å²	52	149.4 Å²	149.4	54%	0.536	81%	0.812	S	S	.	*			trans	-152.4	104	170.2	0	0	0	0	0	107.6	R57 F61	R57-G59 PolarHBondContact O-N 3.43Å; G59-F61 WeakPolarHBondContact O-CD2 3.41Å; G59-F61 PolarHBondContact O-N 3.02Å
60	G	27.4	Very low	34.4	Very low	86 Å²	86	147.7 Å²	147.7	89%	0.887	81%	0.806	S	S	*	*			trans	-61.9	90.4	-178	0	0	0	0	0	112.2	K62	G60-K62 PolarHBondContact O-N 3.09Å
61	F	29.6	Very low	35.2	Very low	194 Å²	194	144.5 Å²	144.5	85%	0.851	80%	0.802	S	S	*	*			trans	-85.6	95.6	164.6	-77.4	-81.8	0	0	0	108.8	G59 R63	G59-F61 WeakPolarHBondContact O-CD2 3.41Å; G59-F61 PolarHBondContact O-N 3.02Å; F61-R63 PolarHBondContact O-N 3.24Å
62	K	32.4	Very low	35.8	Very low	206 Å²	206	139.8 Å²	139.8	90%	0.896	79%	0.794	S	S	*	*			trans	-46.7	110	161.8	-83.2	-179.1	173.4	179.4	0	108.2	G60 K64	G60-K62 PolarHBondContact O-N 3.09Å; K62-K64 PolarHBondContact O-N 3.45Å; K62-K64 VanDerWaalsContact O-N 3.09Å
63	R	37.2	Very low	36.2	Very low	243 Å²	243	140.3 Å²	140.3	92%	0.917	79%	0.792	S	S	*	*			trans	-67.2	107.5	174.4	-69.1	-178.7	178.5	166.4	0.9	107.5	F61 G65	F61-R63 PolarHBondContact O-N 3.24Å; R63-G65 PolarHBondContact O-N 3.33Å
64	K	38.3	Very low	37	Very low	205 Å²	205	146.1 Å²	146.1	89%	0.891	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-58.5	119.7	162.9	-84.4	-177.2	171.2	-179	0	107.2	K62	K62-K64 PolarHBondContact O-N 3.45Å; K62-K64 VanDerWaalsContact O-N 3.09Å
65	G	37.5	Very low	37.7	Very low	62 Å²	62	142.8 Å²	142.8	64%	0.639	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-52.4	138	172.9	0	0	0	0	0	110.1	R63 N67	R63-G65 PolarHBondContact O-N 3.33Å; G65-N67 PolarHBondContact O-N 3.31Å
66	A	43	Very low	38.7	Very low	71 Å²	71	144.1 Å²	144.1	59%	0.587	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.2	124	178.7	0	0	0	0	0	109.2	Y68	A66-Y68 WeakPolarHBondContact O-CD2 3.46Å; A66-Y68 WeakPolarHBondContact O-CE2 3.49Å; A66-Y68 PolarHBondContact O-N 3.44Å; A66-Y68 VanDerWaalsContact O-N 3.14Å
67	N	39.6	Very low	38.9	Very low	144 Å²	144	144.7 Å²	144.7	77%	0.77	80%	0.799	S	S	*	*			trans	-73.3	103.2	176.5	-68.5	-27.3	0	0	0	109.3	G65 S69	G65-N67 PolarHBondContact O-N 3.31Å; N67-S69 PolarHBondContact O-N 3.09Å
68	Y	51.5	Low	39	Very low	217 Å²	217	136 Å²	136	85%	0.851	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-1.8	177	-63.3	-81	0	0	0	114.2	A66	A66-Y68 WeakPolarHBondContact O-CD2 3.46Å; A66-Y68 WeakPolarHBondContact O-CE2 3.49Å; A66-Y68 PolarHBondContact O-N 3.44Å; A66-Y68 VanDerWaalsContact O-N 3.14Å
69	S	56.4	Low	39.3	Very low	120 Å²	120	133.8 Å²	133.8	84%	0.839	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-7.2	178.3	178.1	0	0	0	0	113.7	N67	N67-S69 PolarHBondContact O-N 3.09Å
70	A	43.2	Very low	39.3	Very low	67 Å²	67	141.3 Å²	141.3	55%	0.554	80%	0.803	S	S	*	*	S	Bend	trans	-87	128.2	177	0	0	0	0	0	110.2	I72	A70-I72 PolarHBondContact O-N 3.26Å
71	P	49.4	Very low	39.5	Very low	121 Å²	121	142 Å²	142	79%	0.786	80%	0.8	S	S	*	*			trans	-59.8	130.8	179.8	21.4	-30.2	0	0	0	111.1	T73	P71-T73 PolarHBondContact O-N 2.91Å
72	I	43.1	Very low	39.3	Very low	146 Å²	146	136.2 Å²	136.2	75%	0.749	80%	0.795	S	S	*	*			trans	-64.1	112.9	-179.5	-58.8	165.8	0	0	0	108.4	A70 F74	A70-I72 PolarHBondContact O-N 3.26Å; I72-F74 PolarHBondContact O-N 3.13Å
73	T	41.7	Very low	39.1	Very low	129 Å²	129	131.9 Å²	131.9	79%	0.791	80%	0.798	S	S	*	*			trans	-80.4	117.6	175.4	53.5	0	0	0	0	110.3	P71	P71-T73 PolarHBondContact O-N 2.91Å
74	F	42.8	Very low	38.6	Very low	188 Å²	188	123.9 Å²	123.9	83%	0.825	79%	0.791	S	S	*	*			trans	-69	137.1	171.6	-67.3	-92.4	0	0	0	110.9	I72 S76	I72-F74 PolarHBondContact O-N 3.13Å; F74-S76 PolarHBondContact O-N 3.4Å
75	V	39.1	Very low	37.8	Very low	145 Å²	145	120.2 Å²	120.2	88%	0.879	79%	0.791	S	S	*	*			trans	-74.3	95.7	171.4	-169.8	0	0	0	0	107.6	G77	V75-G77 PolarHBondContact O-N 2.89Å
76	S	48.5	Very low	37.3	Very low	106 Å²	106	123.1 Å²	123.1	74%	0.741	80%	0.802	S	S	*	*			trans	-76.6	107.2	171	49.3	0	0	0	0	109.1	F74 G78	F74-S76 PolarHBondContact O-N 3.4Å; S76-G78 PolarHBondContact O-N 2.91Å
77	G	32.4	Very low	36.4	Very low	88 Å²	88	125.6 Å²	125.6	91%	0.907	82%	0.815	S	S	*	*			trans	-70.2	83.2	165.2	0	0	0	0	0	109.5	V75	V75-G77 PolarHBondContact O-N 2.89Å
78	G	30.6	Very low	35.7	Very low	61 Å²	61	122.2 Å²	122.2	63%	0.629	81%	0.814	S	S	*	*			trans	-150.2	122.3	177.9	0	0	0	0	0	110.9	S76 K80	S76-G78 PolarHBondContact O-N 2.91Å; G78-K80 PolarHBondContact O-N 2.99Å
79	V	33	Very low	34.7	Very low	159 Å²	159	118.3 Å²	118.3	96%	0.964	82%	0.815	S	S	*	*			trans	-56.9	126.6	-176.9	-85.6	0	0	0	0	112.6
80	K	29.3	Very low	33.2	Very low	210 Å²	210	122 Å²	122	91%	0.913	82%	0.816	S	S	*	*			trans	-88.7	115.5	-172.6	-167.7	178	-174.9	177.9	0	110.6	G78	G78-K80 PolarHBondContact O-N 2.99Å
81	A	30.5	Very low	32.5	Very low	100 Å²	100	128.2 Å²	128.2	83%	0.826	83%	0.834	S	S	*	*			trans	-104.6	135.3	159.8	0	0	0	0	0	108.3
82	G	25.7	Very low	31.4	Very low	72 Å²	72	129 Å²	129	74%	0.742	84%	0.836	S	S	*	*			trans	-83.5	-166	-157.6	0	0	0	0	0	118
83	A	28.3	Very low	30.5	Very low	116 Å²	116	129 Å²	129	96%	0.959	84%	0.838	S	S	*	*			trans	85.4	131.6	-179	0	0	0	0	0	114.9
84	G	26.4	Very low	29.9	Very low	75 Å²	75	132 Å²	132	77%	0.773	84%	0.842	S	S	*	*			cis	-165.5	157.6	-5.5	0	0	0	0	0	108.1
85	S	21.9	Very low	29.1	Very low	127 Å²	127	131.8 Å²	131.8	89%	0.888	84%	0.844	S	S	*	*			trans	-66.2	139.9	-178	54.9	0	0	0	0	113.6
86	S	27.6	Very low	28.7	Very low	123 Å²	123	129.6 Å²	129.6	86%	0.86	84%	0.841	S	S	*	*			trans	-145.9	133.3	149	60.3	0	0	0	0	110.5
87	S	23.2	Very low	28	Very low	124 Å²	124	132.2 Å²	132.2	87%	0.867	85%	0.847	S	S	*	*			trans	-102.7	146	-164.7	48.3	0	0	0	0	113.4
88	G	25.1	Very low	27.8	Very low	72 Å²	72	137.3 Å²	137.3	74%	0.742	85%	0.847	S	S	*	*			trans	105.2	161	146	0	0	0	0	0	116.4
89	P	31.6	Very low	27.8	Very low	135 Å²	135	142 Å²	142	88%	0.877	86%	0.856	S	S	*	*			cis	-127.8	176.5	-17.5	35.8	-17.3	0	0	0	114.2
90	K	23.9	Very low	27.8	Very low	198 Å²	198	139.1 Å²	139.1	86%	0.861	84%	0.843	S	S	*	*			trans	-67.9	139.5	178.4	-74.3	169.8	169.8	174.7	0	113
91	E	29.3	Very low	27.9	Very low	198 Å²	198	136.3 Å²	136.3	93%	0.925	84%	0.838	S	S	*	*			trans	-129.3	154.3	151	-76.9	-172	172.1	0	0	110.7
92	T	24.6	Very low	28	Very low	136 Å²	136	137.6 Å²	137.6	83%	0.834	83%	0.831	S	S	*	*			trans	-97.1	152.9	-149.6	34.8	0	0	0	0	114.3
93	N	24.1	Very low	28.4	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	84%	0.835	S	S	*	*			trans	-38.8	129.3	167	-127.7	19.3	0	0	0	114.7
94	E	30.7	Very low	28.8	Very low	191 Å²	191	144.2 Å²	144.2	89%	0.893	83%	0.828	S	S	*	*			trans	-135.9	131.2	147.1	-74.7	-169.8	170.5	0	0	109.2
95	E	25.5	Very low	29	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	84%	0.835	S	S	*	*			trans	-76	128.6	-173.7	-62.4	169.3	163.1	0	0	109.6
96	A	31.5	Very low	29.6	Very low	99 Å²	99	152.4 Å²	152.4	82%	0.818	83%	0.834	S	S	*	*			trans	-133.6	134.4	168.8	0	0	0	0	0	110.2
97	D	31.9	Very low	29.7	Very low	160 Å²	160	151.9 Å²	151.9	86%	0.856	83%	0.831	S	S	*	*			trans	-60.1	150.8	-159.3	-67.3	-59.8	0	0	0	117	I99	D97-I99 PolarHBondContact O-N 3.39Å
98	Q	30	Very low	30.2	Very low	196 Å²	196	152.6 Å²	152.6	92%	0.916	83%	0.829	S	S	*	*			trans	-60.3	118.3	174.8	-66.1	165.3	17.5	0	0	110.8	S100	Q98-S100 PolarHBondContact O-N 3.47Å
99	I	30.1	Very low	30.4	Very low	159 Å²	159	157.6 Å²	157.6	82%	0.815	84%	0.838	S	S	*	*			trans	-84.7	107.5	162.8	-72.1	170.1	0	0	0	106.4	D97	D97-I99 PolarHBondContact O-N 3.39Å
100	S	32.9	Very low	30.2	Very low	98 Å²	98	162.7 Å²	162.7	69%	0.685	84%	0.84	S	S	*	*			trans	-76.1	126.8	173	-156	0	0	0	0	108.8	Q98 D102	Q98-S100 PolarHBondContact O-N 3.47Å; S100-D102 VanDerWaalsContact C-N 3.35Å; S100-D102 PolarHBondContact O-N 2.67Å
101	D	31.4	Very low	30.6	Very low	151 Å²	151	158.5 Å²	158.5	81%	0.807	84%	0.836	S	S	*	*			trans	-98.2	33.2	-169.3	-132.7	10.1	0	0	0	112
102	D	31.6	Very low	30.6	Very low	127 Å²	127	156.7 Å²	156.7	68%	0.679	83%	0.831	S	S	*	*			trans	-115.4	46.2	-167.9	-67	-51.5	0	0	0	113.5	S100	S100-D102 VanDerWaalsContact C-N 3.35Å; S100-D102 PolarHBondContact O-N 2.67Å
103	E	35	Very low	30.9	Very low	177 Å²	177	159.6 Å²	159.6	83%	0.827	84%	0.835	S	S	*	*			trans	-154.4	63	170.3	-71.4	-59.6	161.9	0	0	112.3
104	D	35.7	Very low	31.3	Very low	151 Å²	151	157 Å²	157	81%	0.807	83%	0.826	S	S	*	*			trans	-133.9	8.3	170.8	-86.5	-35.5	0	0	0	115.4
105	D	32.2	Very low	31.1	Very low	173 Å²	173	158.9 Å²	158.9	93%	0.925	83%	0.827	S	S	*	*	S	Bend	trans	-108.8	33.1	-176	-78.6	-18.2	0	0	0	115.4
106	K	33.4	Very low	31.5	Very low	201 Å²	201	158.5 Å²	158.5	87%	0.874	83%	0.825	S	S	*	*	S	Bend	trans	-150	44.6	-176.6	-126.3	-179.7	-163	175.8	0	118.6
107	S	30.9	Very low	31.4	Very low	112 Å²	112	159.9 Å²	159.9	78%	0.783	82%	0.818	S	S	*	*	S	Bend	trans	-159.3	46	164.8	72.2	0	0	0	0	117.1
108	V	33.4	Very low	31.6	Very low	138 Å²	138	157.4 Å²	157.4	84%	0.836	81%	0.813	S	S	*	*	S	Bend	trans	-145	59.5	172.2	-158.6	0	0	0	0	112.6
109	L	27.7	Very low	31.7	Very low	177 Å²	177	155.4 Å²	155.4	93%	0.927	81%	0.809	S	S	*	*			trans	-156.7	39.8	167.5	-121.2	160.5	0	0	0	114
110	R	28.9	Very low	32	Very low	242 Å²	242	152.8 Å²	152.8	91%	0.913	81%	0.805	S	S	*	*	S	Bend	trans	-131.2	56.7	175.5	-144.5	-175.7	-152.7	-163.5	6.7	111.6
111	S	30.8	Very low	31.9	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	82%	0.816	S	S	*	*			trans	-168.2	100.3	168	-77.9	0	0	0	0	108
112	L	29.7	Very low	32.1	Very low	159 Å²	159	154.4 Å²	154.4	83%	0.832	82%	0.815	S	S	*	*			trans	167.1	84.8	156.2	-88.9	146.6	0	0	0	108.3
113	H	31.3	Very low	32	Very low	198 Å²	198	154.2 Å²	154.2	92%	0.917	82%	0.821	S	S	*	*			trans	-143.8	100.5	151.3	-108.2	71.5	0	0	0	108.6
114	P	32	Very low	31.9	Very low	93 Å²	93	153 Å²	153	60%	0.604	82%	0.819	S	S	*	*			trans	-93.3	142.2	172.8	-11.2	31.4	0	0	0	113.2
115	Y	27.6	Very low	31.8	Very low	229 Å²	229	151.6 Å²	151.6	90%	0.898	82%	0.822	S	S	*	*			trans	68.2	110.4	156.6	-70.9	-85.7	0	0	0	120.4
116	H	32.8	Very low	31.7	Very low	177 Å²	177	150.2 Å²	150.2	82%	0.819	81%	0.814	S	S	*	*				-172.2	142.1	104.6	-160.1	-86.4	0	0	0	111.5
117	D	29.5	Very low	31.7	Very low	128 Å²	128	147.4 Å²	147.4	68%	0.684	81%	0.808	S	S	*	*			trans	-44.9	138.1	177.1	-88	-35.2	0	0	0	115.7
118	S	37.5	Very low	31.9	Very low	108 Å²	108	153 Å²	153	76%	0.755	81%	0.813	S	S	*	*			trans	-151.3	92.3	144.9	-177.8	0	0	0	0	108.7	S120	S118-S120 PolarHBondContact O-N 3.47Å
119	D	30.7	Very low	31.6	Very low	154 Å²	154	158.2 Å²	158.2	82%	0.824	82%	0.818	S	S	*	*			trans	-62.7	114	162.4	-75.3	-43.5	0	0	0	109.5
120	S	37.1	Very low	31.8	Very low	104 Å²	104	159.1 Å²	159.1	73%	0.727	81%	0.814	S	S	*	*			trans	-148.6	115.3	159.3	70.3	0	0	0	0	109.8	S118	S118-S120 PolarHBondContact O-N 3.47Å
121	D	30.8	Very low	32.1	Very low	171 Å²	171	153.8 Å²	153.8	91%	0.914	81%	0.811	S	S	*	*			trans	-53.9	128.7	176	-76.3	-53.1	0	0	0	112.8
122	S	34.5	Very low	31.9	Very low	112 Å²	112	155.3 Å²	155.3	78%	0.783	81%	0.81	S	S	*	*			trans	-153.5	114.2	149.5	-161.1	0	0	0	0	110.6
123	P	31.3	Very low	31.9	Very low	124 Å²	124	156.9 Å²	156.9	81%	0.805	81%	0.81	S	S	*	*			trans	-93.5	103.2	-176.3	33.8	-27.2	0	0	0	109.9
124	N	32.9	Very low	32	Very low	150 Å²	150	153.6 Å²	153.6	80%	0.802	81%	0.807	S	S	*	*			trans	-161.2	87.2	161	-147.2	3.2	0	0	0	112.6
125	S	33.7	Very low	31.7	Very low	122 Å²	122	153.4 Å²	153.4	85%	0.853	81%	0.813	S	S	*	*			trans	-157.6	75.5	153.1	49.8	0	0	0	0	110.3
126	D	28.6	Very low	31.6	Very low	145 Å²	145	147.7 Å²	147.7	78%	0.775	81%	0.806	S	S	*	*			trans	-65.9	159.4	148.8	-83.5	-47.6	0	0	0	109.7
127	I	33.1	Very low	31.6	Very low	142 Å²	142	146.9 Å²	146.9	73%	0.728	81%	0.807	S	S	*	*			trans	85.7	79.5	171.8	-42	161	0	0	0	113.8
128	Y	35.4	Very low	31.6	Very low	228 Å²	228	145.9 Å²	145.9	89%	0.894	81%	0.809	S	S	*	*				-164	82.9	121.5	-84.9	-64.2	0	0	0	108.7	K130	Y128-K130 PolarHBondContact O-N 3.22Å
129	R	28.4	Very low	31.3	Very low	248 Å²	248	146.7 Å²	146.7	94%	0.936	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-61.6	116.7	166.8	-80.3	176.5	171	175.8	-2.6	109.3
130	K	31.6	Very low	31.1	Very low	197 Å²	197	142.3 Å²	142.3	86%	0.857	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-92.4	131.8	157.2	-87.3	-178.7	177.4	174.6	0	108.8	Y128	Y128-K130 PolarHBondContact O-N 3.22Å
131	P	35.7	Very low	31.1	Very low	130 Å²	130	140.6 Å²	140.6	84%	0.844	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.1	141.1	-174.1	31.3	-32.6	0	0	0	112
132	D	26.5	Very low	31.5	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.8	146.2	179.3	-85.9	-38.1	0	0	0	113.3
133	K	28	Very low	31.5	Very low	191 Å²	191	142.3 Å²	142.3	83%	0.83	79%	0.786	S	S	*	*			trans	74.5	158.5	153.1	-66.1	163.8	-174.1	177.5	0	117.9
134	P	34	Very low	31.8	Very low	130 Å²	130	146 Å²	146	84%	0.844	78%	0.784	S	S	*	*			cis	-132.8	-175.2	7.1	35.4	-13.7	0	0	0	115.7
135	A	26.3	Very low	32.5	Very low	88 Å²	88	144.3 Å²	144.3	73%	0.727	78%	0.778	S	S	*	*			trans	-77.1	165.8	-170	0	0	0	0	0	117.2
136	S	25.8	Very low	32.8	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	77%	0.765	S	S	*	*			trans	78.8	118.6	150.8	76.1	0	0	0	0	118.5
137	I	32.1	Very low	33.3	Very low	161 Å²	161	137.4 Å²	137.4	83%	0.826	75%	0.749	S	S	*	*				-177.8	136.5	116.3	-88.8	158.3	0	0	0	108
138	S	28.9	Very low	33.6	Very low	106 Å²	106	133.5 Å²	133.5	74%	0.741	74%	0.738	S	S	*	*			trans	-74.1	137.6	-176.3	72.3	0	0	0	0	112.5
139	V	31.4	Very low	33.7	Very low	125 Å²	125	125.6 Å²	125.6	76%	0.758	72%	0.72	S	S	*	*			trans	-142.1	84.3	152.9	-173.5	0	0	0	0	108.8	A141	V139-A141 HydrophobicContact CG1-CB 4.08Å; V139-A141 PolarHBondContact O-N 2.93Å; V139-A141 VanDerWaalsContact O-N 3.17Å
140	G	27.5	Very low	34.2	Very low	62 Å²	62	116.8 Å²	116.8	64%	0.639	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	37.3	176.1	0	0	0	0	0	114.4
141	A	36.5	Very low	34.4	Very low	68 Å²	68	110 Å²	110	56%	0.562	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-26	-173.5	0	0	0	0	0	114.6	V139	V139-A141 HydrophobicContact CG1-CB 4.08Å; V139-A141 PolarHBondContact O-N 2.93Å; V139-A141 VanDerWaalsContact O-N 3.17Å
142	S	39.3	Very low	34.5	Very low	107 Å²	107	107.4 Å²	107.4	75%	0.748	67%	0.67	S	S	*	*	S	Bend	trans	-97.7	-14.5	-172.2	-51.8	0	0	0	0	115
143	R	34.4	Very low	35.2	Very low	213 Å²	213	108.1 Å²	108.1	80%	0.804	67%	0.666	S	S	*	*	H	α-helix	trans	-82.3	-17.1	178.7	-166.9	170.1	-84.6	-179.4	-5.1	113.2	V145 A147	R143-V145 PolarHBondContact O-N 2.85Å; R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.33Å; R143-A147 PolarHBondContact O-N 3.36Å
144	R	38.7	Very low	35.7	Very low	202 Å²	202	102.8 Å²	102.8	76%	0.762	65%	0.653	S	S	*	*	H	α-helix	trans	-72.4	-26.2	-179.9	-77.4	-173	171.9	170.1	-1.1	113.8	A148	R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.36Å
145	V	45.8	Very low	36	Very low	114 Å²	114	100.8 Å²	100.8	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-76.2	-41.1	176.9	-175.9	0	0	0	0	111.1	R143 A148 A149	R143-V145 PolarHBondContact O-N 2.85Å; V145-A148 PolarHBondContact O-N 2.9Å; V145-A149 PolarHBondContact O-N 3.34Å
146	A	40.4	Very low	37.1	Very low	68 Å²	68	98.8 Å²	98.8	56%	0.562	63%	0.626	S	S	*	*	H	α-helix	trans	-68	-36.9	173.9	0	0	0	0	0	112.2	A149 A150	A146-A149 PolarHBondContact O-N 3.34Å; A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.29Å
147	A	38.9	Very low	38.3	Very low	53 Å²	53	99.4 Å²	99.4	44%	0.438	63%	0.631	S	S	.	*	H	α-helix	trans	-70.7	-33	174.5	0	0	0	0	0	112.5	R143 A150 A151	R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.33Å; R143-A147 PolarHBondContact O-N 3.36Å; A147-A150 PolarHBondContact O-N 2.95Å; A147-A151 WeakPolarHBondContact O-CB 3.35Å; A147-A151 PolarHBondContact O-N 3.45Å
148	A	39.2	Very low	39.6	Very low	61 Å²	61	94.7 Å²	94.7	50%	0.504	62%	0.622	S	S	.	*	H	α-helix	trans	-69.8	-36.9	174.1	0	0	0	0	0	111.9	R144 V145 A151 A152	R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.36Å; V145-A148 PolarHBondContact O-N 2.9Å; A148-A151 PolarHBondContact O-N 2.97Å; A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 3.45Å
149	A	38.6	Very low	41.4	Very low	62 Å²	62	93.4 Å²	93.4	51%	0.512	60%	0.603	S	S	.	*	H	α-helix	trans	-67.9	-37.7	172.5	0	0	0	0	0	112.1	V145 A146 K153	V145-A149 PolarHBondContact O-N 3.34Å; A146-A149 PolarHBondContact O-N 3.34Å; A149-K153 PolarHBondContact O-N 2.91Å
150	A	37.7	Very low	43.3	Very low	62 Å²	62	88.3 Å²	88.3	51%	0.512	58%	0.575	S	S	.	*	H	α-helix	trans	-71	-35.5	173.7	0	0	0	0	0	112.7	A146 A147 K153 S154	A146-A150 WeakPolarHBondContact O-CB 3.32Å; A146-A150 PolarHBondContact O-N 3.29Å; A147-A150 PolarHBondContact O-N 2.95Å; A150-K153 CarbonylContact O-C 3.54Å; A150-K153 PolarHBondContact O-N 3.35Å; A150-S154 PolarHBondContact O-N 2.92Å
151	A	37.5	Very low	45.3	Very low	55 Å²	55	89 Å²	89	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-74.4	-33.2	177	0	0	0	0	0	112.1	A147 A148 K153 S154 A155	A147-A151 WeakPolarHBondContact O-CB 3.35Å; A147-A151 PolarHBondContact O-N 3.45Å; A148-A151 PolarHBondContact O-N 2.97Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 3.41Å; A151-S154 PolarHBondContact O-N 2.9Å; A151-S154 VanDerWaalsContact O-N 3.16Å; A151-S154 PolarHBondContact O-OG 3.03Å; A151-S154 VanDerWaalsContact O-OG 3.08Å; A151-A155 PolarHBondContact O-N 3.36Å
152	A	36.9	Very low	47.1	Very low	75 Å²	75	93 Å²	93	62%	0.62	58%	0.576	S	S	*	*	H	α-helix	trans	-65.3	-32.6	170	0	0	0	0	0	111.4	A148	A148-A152 VanDerWaalsContact O-CB 3.3Å; A148-A152 WeakPolarHBondContact O-CB 3.33Å; A148-A152 PolarHBondContact O-N 3.45Å
153	K	40.5	Very low	48.8	Very low	158 Å²	158	89 Å²	89	69%	0.687	55%	0.545	S	S	*	.	H	α-helix	trans	-79.6	-18.4	170.8	-73.8	-167.4	176	-165.8	0	114.2	A149 A150 A151 A155 T156	A149-K153 PolarHBondContact O-N 2.91Å; A150-K153 CarbonylContact O-C 3.54Å; A150-K153 PolarHBondContact O-N 3.35Å; A151-K153 VanDerWaalsContact C-N 3.27Å; A151-K153 PolarHBondContact O-N 3.41Å; K153-A155 VanDerWaalsContact C-N 3.27Å; K153-A155 PolarHBondContact O-N 3.36Å; K153-T156 PolarHBondContact O-OG1 3.46Å
154	S	39.4	Very low	50.8	Low	80 Å²	80	88.7 Å²	88.7	56%	0.559	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.1	174.7	82.8	0	0	0	0	113.8	A150 A151 T156	A150-S154 PolarHBondContact O-N 2.92Å; A151-S154 PolarHBondContact O-N 2.9Å; A151-S154 VanDerWaalsContact O-N 3.16Å; A151-S154 PolarHBondContact O-OG 3.03Å; A151-S154 VanDerWaalsContact O-OG 3.08Å; S154-T156 PolarHBondContact O-N 2.94Å
155	A	40.9	Very low	52.4	Low	87 Å²	87	86.7 Å²	86.7	72%	0.719	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.8	175	0	0	0	0	0	112.8	A151 K153	A151-A155 PolarHBondContact O-N 3.36Å; K153-A155 VanDerWaalsContact C-N 3.27Å; K153-A155 PolarHBondContact O-N 3.36Å
156	T	47.8	Very low	53.9	Low	46 Å²	46	85.1 Å²	85.1	28%	0.282	53%	0.534	S	S	.	.	S	Bend	trans	-96.9	81.6	163.8	52.2	0	0	0	0	109.7	K153 S154 G158 P181	K153-T156 PolarHBondContact O-OG1 3.46Å; S154-T156 PolarHBondContact O-N 2.94Å; T156-G158 PolarHBondContact O-N 3.14Å; T156-P181 HydrophobicContact CG2-CB 3.69Å
157	S	51.6	Low	55.7	Low	123 Å²	123	91.1 Å²	91.1	86%	0.86	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	98	-179.8	-171.5	0	0	0	0	111.9
158	G	59.6	Low	57.7	Low	62 Å²	62	89.8 Å²	89.8	64%	0.639	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	-13.7	162.8	0	0	0	0	0	118.7	T156 G160	T156-G158 PolarHBondContact O-N 3.14Å; G158-G160 PolarHBondContact O-N 2.99Å
159	F	66.7	Low	59.8	Low	78 Å²	78	92.6 Å²	92.6	34%	0.342	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	121.7	179.8	-168.5	-94.8	0	0	0	111.2	M171 L174 Y179	F159-M171 HydrophobicContact CD1-CE 4.05Å; F159-M171 HydrophobicContact CE1-CE 4.22Å; F159-L174 HydrophobicContact CE1-CD1 4.29Å; F159-L174 HydrophobicContact CZ-CD1 4.37Å; F159-Y179 AromaticContact CD1-CE1 3.99Å; F159-Y179 HydrophobicContact CD1-CE1 3.99Å; F159-Y179 AromaticContact CD1-CZ 3.71Å; F159-Y179 WeakPolarHBondContact CD1-OH 3.44Å; F159-Y179 AromaticContact CE1-CE1 3.65Å; F159-Y179 HydrophobicContact CE1-CE1 3.65Å; F159-Y179 HydrophobicContact CE1-CE2 4.12Å; F159-Y179 AromaticContact CE1-CZ 3.38Å; F159-Y179 WeakPolarHBondContact CE1-OH 3.43Å; F159-Y179 HydrophobicContact CZ-CE2 4.42Å
160	G	70.8	Confident	61.9	Low	18 Å²	18	90.6 Å²	90.6	19%	0.186	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	110.9	-5	-176.2	0	0	0	0	0	115.4	G158 W162 E163	G158-G160 PolarHBondContact O-N 2.99Å; G160-W162 PolarHBondContact O-N 2.74Å; G160-W162 VanDerWaalsContact O-N 3.09Å; G160-E163 PolarHBondContact O-N 2.99Å; G160-E163 VanDerWaalsContact O-N 3.08Å
161	A	70.6	Confident	64.1	Low	76 Å²	76	89.4 Å²	89.4	63%	0.628	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-60.4	-21.7	179.3	0	0	0	0	0	114.3	E163 R164	A161-E163 PolarHBondContact O-N 2.84Å; A161-R164 WeakPolarHBondContact O-CB 3.46Å; A161-R164 PolarHBondContact O-N 3.37Å
162	W	74.6	Confident	66.3	Low	153 Å²	153	93.3 Å²	93.3	58%	0.58	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-68.7	-14.9	177.1	57.5	-86.1	0	0	0	113.5	G160 L174	G160-W162 PolarHBondContact O-N 2.74Å; G160-W162 VanDerWaalsContact O-N 3.09Å; W162-L174 HydrophobicContact CZ2-CD1 4.39Å
163	E	75	Confident	68.6	Low	23 Å²	23	93.8 Å²	93.8	11%	0.107	51%	0.512	C	S	.	.	G	3₁₀ helix	trans	-92.5	5.2	176.5	-61.8	-160.4	133.9	0	0	114.2	G160 A161 H165 T166 G168 G170 M171	G160-E163 PolarHBondContact O-N 2.99Å; G160-E163 VanDerWaalsContact O-N 3.08Å; A161-E163 PolarHBondContact O-N 2.84Å; E163-H165 PolarHBondContact O-N 2.96Å; E163-T166 WeakPolarHBondContact CA-OG1 3Å; E163-T166 WeakPolarHBondContact CB-OG1 3.41Å; E163-T166 PolarHBondContact O-N 2.96Å; E163-T166 VanDerWaalsContact O-O 3.04Å; E163-T166 PolarHBondContact O-OG1 2.68Å; E163-G168 VanDerWaalsContact OE2-CA 3.28Å; E163-G168 WeakPolarHBondContact OE2-CA 3.36Å; E163-G170 VanDerWaalsContact OE1-C 3.32Å; E163-G170 WeakPolarHBondContact OE1-CA 3.25Å; E163-G170 PolarHBondContact OE1-N 3.04Å; E163-M171 PolarHBondContact OE1-N 2.91Å; E163-M171 WeakPolarHBondContact OE2-CB 3.28Å; E163-M171 PolarHBondContact OE2-N 3.02Å
164	R	75.4	Confident	70.7	Confident	207 Å²	207	88.4 Å²	88.4	78%	0.781	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.7	179.3	174.6	176.6	160.4	-155.3	-7	113.5	A161	A161-R164 WeakPolarHBondContact O-CB 3.46Å; A161-R164 PolarHBondContact O-N 3.37Å
165	H	71.5	Confident	72.7	Confident	160 Å²	160	88.8 Å²	88.8	74%	0.741	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	10.3	-179.6	-63.8	-80.7	0	0	0	113.6	E163	E163-H165 PolarHBondContact O-N 2.96Å
166	T	77.5	Confident	74.7	Confident	81 Å²	81	91.7 Å²	91.7	50%	0.497	48%	0.482	S	S	.	.	S	Bend	trans	-123.8	163.6	177.6	65.5	0	0	0	0	110.4	E163 G168	E163-T166 WeakPolarHBondContact CA-OG1 3Å; E163-T166 WeakPolarHBondContact CB-OG1 3.41Å; E163-T166 PolarHBondContact O-N 2.96Å; E163-T166 VanDerWaalsContact O-O 3.04Å; E163-T166 PolarHBondContact O-OG1 2.68Å; T166-G168 PolarHBondContact O-N 3.21Å
167	K	79.3	Confident	76.3	Confident	194 Å²	194	95.2 Å²	95.2	84%	0.843	50%	0.497	S	S	*	.			trans	-72	17.9	-179.1	-65.6	-179.1	179.5	174.3	0	113.8	I169	K167-I169 VanDerWaalsContact C-N 3.3Å; K167-I169 HydrophobicContact CB-CD1 4.23Å; K167-I169 HydrophobicContact CB-CG1 4.22Å; K167-I169 PolarHBondContact O-N 3.48Å
168	G	79.7	Confident	77.6	Confident	24 Å²	24	90.7 Å²	90.7	25%	0.247	47%	0.469	C	S	.	.	S	Bend	trans	71.2	19.2	179.9	0	0	0	0	0	115.4	E163 T166 G170 K172	E163-G168 VanDerWaalsContact OE2-CA 3.28Å; E163-G168 WeakPolarHBondContact OE2-CA 3.36Å; T166-G168 PolarHBondContact O-N 3.21Å; G168-G170 VanDerWaalsContact C-N 3.34Å; G168-G170 PolarHBondContact O-N 2.98Å; G168-K172 PolarHBondContact O-N 3.32Å
169	I	84.1	Confident	78.5	Confident	121 Å²	121	88.6 Å²	88.6	62%	0.621	44%	0.442	S	S	*	.	H	α-helix	trans	-66.3	-36.5	-172.3	-64.9	163.7	0	0	0	111.5	K167 L173	K167-I169 VanDerWaalsContact C-N 3.3Å; K167-I169 HydrophobicContact CB-CD1 4.23Å; K167-I169 HydrophobicContact CB-CG1 4.22Å; K167-I169 PolarHBondContact O-N 3.48Å; I169-L173 WeakPolarHBondContact O-CB 3.48Å; I169-L173 PolarHBondContact O-N 2.98Å
170	G	83.2	Confident	78.9	Confident	20 Å²	20	89.6 Å²	89.6	21%	0.206	45%	0.448	C	S	.	.	H	α-helix	trans	-71.2	-42.2	-178.1	0	0	0	0	0	112.7	E163 G168 K172 L173 L174	E163-G170 VanDerWaalsContact OE1-C 3.32Å; E163-G170 WeakPolarHBondContact OE1-CA 3.25Å; E163-G170 PolarHBondContact OE1-N 3.04Å; G168-G170 VanDerWaalsContact C-N 3.34Å; G168-G170 PolarHBondContact O-N 2.98Å; G170-K172 VanDerWaalsContact C-N 3.34Å; G170-L173 PolarHBondContact O-N 2.96Å; G170-L174 VanDerWaalsContact O-CG 3.32Å; G170-L174 WeakPolarHBondContact O-CG 3.45Å; G170-L174 PolarHBondContact O-N 3.01Å
171	M	83.3	Confident	78.9	Confident	36 Å²	36	92.5 Å²	92.5	18%	0.177	46%	0.463	C	S	.	.	H	α-helix	trans	-63.1	-43.5	174	-173.8	68.1	68.5	0	0	110.9	F159 E163 L173 L174 E175 Y179	F159-M171 HydrophobicContact CD1-CE 4.05Å; F159-M171 HydrophobicContact CE1-CE 4.22Å; E163-M171 PolarHBondContact OE1-N 2.91Å; E163-M171 WeakPolarHBondContact OE2-CB 3.28Å; E163-M171 PolarHBondContact OE2-N 3.02Å; M171-L173 VanDerWaalsContact C-N 3.31Å; M171-L173 PolarHBondContact O-N 3.49Å; M171-L174 PolarHBondContact O-N 3.41Å; M171-E175 WeakPolarHBondContact O-CG 3.42Å; M171-E175 PolarHBondContact O-N 2.84Å; M171-Y179 HydrophobicContact SD-CD1 4.36Å; M171-Y179 HydrophobicContact SD-CE1 4.16Å
172	K	83.5	Confident	78.9	Confident	137 Å²	137	90.9 Å²	90.9	60%	0.596	45%	0.454	S	S	*	.	H	α-helix	trans	-62.4	-39.3	177.4	-161.7	175.8	-176.3	179.7	0	111.9	G168 G170 Q176	G168-K172 PolarHBondContact O-N 3.32Å; G170-K172 VanDerWaalsContact C-N 3.34Å; K172-Q176 WeakPolarHBondContact O-CG 3.19Å; K172-Q176 PolarHBondContact O-N 3.29Å
173	L	86.4	Confident	78.8	Confident	86 Å²	86	88.3 Å²	88.3	45%	0.45	45%	0.447	S	S	.	.	H	α-helix	trans	-65.8	-41.6	174.1	-179.8	63.8	0	0	0	112.1	I169 G170 M171 Q176 M177	I169-L173 WeakPolarHBondContact O-CB 3.48Å; I169-L173 PolarHBondContact O-N 2.98Å; G170-L173 PolarHBondContact O-N 2.96Å; M171-L173 VanDerWaalsContact C-N 3.31Å; M171-L173 PolarHBondContact O-N 3.49Å; L173-Q176 PolarHBondContact O-N 2.86Å; L173-M177 HydrophobicContact CD1-CE 4Å; L173-M177 HydrophobicContact CD1-CG 4.41Å; L173-M177 WeakPolarHBondContact O-CB 3.39Å; L173-M177 VanDerWaalsContact O-CG 3.22Å; L173-M177 WeakPolarHBondContact O-CG 3.35Å; L173-M177 PolarHBondContact O-N 2.86Å
174	L	83.4	Confident	78.7	Confident	44 Å²	44	87.2 Å²	87.2	23%	0.23	44%	0.441	C	S	.	.	H	α-helix	trans	-61.3	-47.3	175.7	-74.1	170.5	0	0	0	110.8	F159 W162 G170 M171 Q176 M177 G178 Y179 L185	F159-L174 HydrophobicContact CE1-CD1 4.29Å; F159-L174 HydrophobicContact CZ-CD1 4.37Å; W162-L174 HydrophobicContact CZ2-CD1 4.39Å; G170-L174 VanDerWaalsContact O-CG 3.32Å; G170-L174 WeakPolarHBondContact O-CG 3.45Å; G170-L174 PolarHBondContact O-N 3.01Å; M171-L174 PolarHBondContact O-N 3.41Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.25Å; L174-M177 CarbonylContact O-C 3.45Å; L174-M177 WeakPolarHBondContact O-CA 3.39Å; L174-M177 PolarHBondContact O-N 2.97Å; L174-G178 PolarHBondContact O-N 2.87Å; L174-Y179 VanDerWaalsContact C-CB 3.4Å; L174-Y179 HydrophobicContact CB-CD1 4.16Å; L174-Y179 HydrophobicContact CB-CG 4.07Å; L174-Y179 WeakPolarHBondContact O-CB 3.38Å; L174-Y179 PolarHBondContact O-N 3.2Å; L174-L185 HydrophobicContact CD2-CD1 3.84Å
175	E	82.7	Confident	78.9	Confident	88 Å²	88	81.1 Å²	81.1	41%	0.411	42%	0.424	S	S	.	.	H	α-helix	trans	-58.5	-43.4	175.9	-72.7	179	170.5	0	0	111.3	M171 M177 G178	M171-E175 WeakPolarHBondContact O-CG 3.42Å; M171-E175 PolarHBondContact O-N 2.84Å; E175-M177 PolarHBondContact O-N 3.38Å; E175-G178 PolarHBondContact O-N 3.44Å
176	Q	82	Confident	79.1	Confident	148 Å²	148	74.8 Å²	74.8	69%	0.692	40%	0.402	S	S	*	.	H	α-helix	trans	-62.7	-29.8	174.8	-77.9	-176.3	-22.6	0	0	113.5	K172 L173 L174 G178	K172-Q176 WeakPolarHBondContact O-CG 3.19Å; K172-Q176 PolarHBondContact O-N 3.29Å; L173-Q176 PolarHBondContact O-N 2.86Å; L174-Q176 VanDerWaalsContact C-N 3.33Å; L174-Q176 PolarHBondContact O-N 3.25Å; Q176-G178 PolarHBondContact O-N 2.86Å
177	M	82.3	Confident	78.9	Confident	121 Å²	121	76.7 Å²	76.7	60%	0.596	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	12.4	176.1	-66.1	-71.7	173.5	0	0	112.7	L173 L174 E175 L185 G186	L173-M177 HydrophobicContact CD1-CE 4Å; L173-M177 HydrophobicContact CD1-CG 4.41Å; L173-M177 WeakPolarHBondContact O-CB 3.39Å; L173-M177 VanDerWaalsContact O-CG 3.22Å; L173-M177 WeakPolarHBondContact O-CG 3.35Å; L173-M177 PolarHBondContact O-N 2.86Å; L174-M177 CarbonylContact O-C 3.45Å; L174-M177 WeakPolarHBondContact O-CA 3.39Å; L174-M177 PolarHBondContact O-N 2.97Å; E175-M177 PolarHBondContact O-N 3.38Å; M177-L185 HydrophobicContact CB-CD1 3.68Å; M177-L185 HydrophobicContact CB-CG 4.4Å; M177-G186 PolarHBondContact O-N 3.1Å
178	G	77.4	Confident	78.6	Confident	27 Å²	27	71.8 Å²	71.8	28%	0.278	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	22.8	176.3	0	0	0	0	0	114.5	L174 E175 Q176 G186	L174-G178 PolarHBondContact O-N 2.87Å; E175-G178 PolarHBondContact O-N 3.44Å; Q176-G178 PolarHBondContact O-N 2.86Å; G178-G186 PolarHBondContact O-N 3.4Å; G178-G186 VanDerWaalsContact O-O 3.06Å
179	Y	79.7	Confident	78.1	Confident	18 Å²	18	70.9 Å²	70.9	7%	0.071	39%	0.393	C	S	.	.			trans	-74.6	124.5	169.5	-179.8	-104.3	0	0	0	110.6	F159 M171 L174 K183	F159-Y179 AromaticContact CD1-CE1 3.99Å; F159-Y179 HydrophobicContact CD1-CE1 3.99Å; F159-Y179 AromaticContact CD1-CZ 3.71Å; F159-Y179 WeakPolarHBondContact CD1-OH 3.44Å; F159-Y179 AromaticContact CE1-CE1 3.65Å; F159-Y179 HydrophobicContact CE1-CE1 3.65Å; F159-Y179 HydrophobicContact CE1-CE2 4.12Å; F159-Y179 AromaticContact CE1-CZ 3.38Å; F159-Y179 WeakPolarHBondContact CE1-OH 3.43Å; F159-Y179 HydrophobicContact CZ-CE2 4.42Å; M171-Y179 HydrophobicContact SD-CD1 4.36Å; M171-Y179 HydrophobicContact SD-CE1 4.16Å; L174-Y179 VanDerWaalsContact C-CB 3.4Å; L174-Y179 HydrophobicContact CB-CD1 4.16Å; L174-Y179 HydrophobicContact CB-CG 4.07Å; L174-Y179 WeakPolarHBondContact O-CB 3.38Å; L174-Y179 PolarHBondContact O-N 3.2Å; Y179-K183 VanDerWaalsContact CE2-O 3.24Å; Y179-K183 WeakPolarHBondContact CE2-O 3.31Å
180	E	74.7	Confident	77.6	Confident	100 Å²	100	72.5 Å²	72.5	47%	0.467	39%	0.391	S	S	.	.			trans	-109.7	136.6	168.4	-69	-176.2	171.4	0	0	109.8	G182 K183	E180-G182 PolarHBondContact O-N 3.3Å; E180-G182 VanDerWaalsContact O-N 3.07Å; E180-K183 HydrophobicContact CB-CB 4.17Å; E180-K183 HydrophobicContact CB-CD 4.49Å; E180-K183 CarbonylContact O-C 3.43Å; E180-K183 WeakPolarHBondContact O-CA 3.45Å; E180-K183 PolarHBondContact O-N 2.96Å; E180-K183 VanDerWaalsContact OE2-CD 3.31Å; E180-K183 WeakPolarHBondContact OE2-CD 3.36Å; E180-K183 WeakPolarHBondContact OE2-CE 3.38Å; E180-K183 IonicContact OE2-NZ 3.28Å; E180-K183 PolarHBondContact OE2-NZ 3.39Å
181	P	71.1	Confident	77.2	Confident	79 Å²	79	72.3 Å²	72.3	51%	0.513	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	117.4	178.4	-24.9	32.8	0	0	0	112.5	T156 K183	T156-P181 HydrophobicContact CG2-CB 3.69Å; P181-K183 VanDerWaalsContact C-N 3.34Å
182	G	70.4	Confident	76.6	Confident	41 Å²	41	74.6 Å²	74.6	42%	0.423	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-10.5	-178.6	0	0	0	0	0	114.9	E180	E180-G182 PolarHBondContact O-N 3.3Å; E180-G182 VanDerWaalsContact O-N 3.07Å
183	K	73.3	Confident	76	Confident	99 Å²	99	69.8 Å²	69.8	43%	0.43	38%	0.383	S	S	.	.	S	Bend	trans	-109.6	163.6	166.5	-55.5	-173.3	-165.2	154.5	0	109.7	Y179 E180 P181	Y179-K183 VanDerWaalsContact CE2-O 3.24Å; Y179-K183 WeakPolarHBondContact CE2-O 3.31Å; E180-K183 HydrophobicContact CB-CB 4.17Å; E180-K183 HydrophobicContact CB-CD 4.49Å; E180-K183 CarbonylContact O-C 3.43Å; E180-K183 WeakPolarHBondContact O-CA 3.45Å; E180-K183 PolarHBondContact O-N 2.96Å; E180-K183 VanDerWaalsContact OE2-CD 3.31Å; E180-K183 WeakPolarHBondContact OE2-CD 3.36Å; E180-K183 WeakPolarHBondContact OE2-CE 3.38Å; E180-K183 IonicContact OE2-NZ 3.28Å; E180-K183 PolarHBondContact OE2-NZ 3.39Å; P181-K183 VanDerWaalsContact C-N 3.34Å
184	G	71.9	Confident	75.1	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.381	C	S	.	.			trans	-78.6	172.1	-178.3	0	0	0	0	0	112.9	G189 G191	G184-G189 PolarHBondContact N-O 3.04Å; G184-G189 WeakPolarHBondContact O-CA 3.48Å; G184-G191 VanDerWaalsContact CA-C 3.43Å; G184-G191 VanDerWaalsContact CA-O 3.3Å; G184-G191 WeakPolarHBondContact CA-O 3.2Å
185	L	79.2	Confident	74.4	Confident	80 Å²	80	71 Å²	71	42%	0.419	40%	0.398	S	S	.	.	S	Bend	trans	-59.7	144.9	171.1	-164.2	70	0	0	0	112.7	L174 M177 G191	L174-L185 HydrophobicContact CD2-CD1 3.84Å; M177-L185 HydrophobicContact CB-CD1 3.68Å; M177-L185 HydrophobicContact CB-CG 4.4Å; L185-G191 VanDerWaalsContact O-CA 3.26Å; L185-G191 WeakPolarHBondContact O-CA 3.41Å; L185-G191 PolarHBondContact O-N 2.84Å
186	G	77.1	Confident	73.8	Confident	27 Å²	27	71.9 Å²	71.9	28%	0.278	41%	0.409	S	S	.	.	S	Bend	trans	103.7	159.7	173.7	0	0	0	0	0	114.3	M177 G178 D188 G189	M177-G186 PolarHBondContact O-N 3.1Å; G178-G186 PolarHBondContact O-N 3.4Å; G178-G186 VanDerWaalsContact O-O 3.06Å; G186-D188 PolarHBondContact O-N 2.91Å; G186-G189 PolarHBondContact O-N 3.01Å
187	S	73.3	Confident	73.2	Confident	121 Å²	121	71.3 Å²	71.3	85%	0.846	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-32.7	-173.7	60	0	0	0	0	115.3
188	D	72.7	Confident	72.6	Confident	91 Å²	91	70.2 Å²	70.2	49%	0.487	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.6	-178.8	-68.2	12.1	0	0	0	112.9	G186 R190	G186-D188 PolarHBondContact O-N 2.91Å; D188-R190 HydrophobicContact CB-CB 4.37Å; D188-R190 HydrophobicContact CB-CG 3.71Å; D188-R190 PolarHBondContact O-N 3.49Å; D188-R190 VanDerWaalsContact O-N 3.12Å; D188-R190 IonicContact OD2-CZ 2.65Å; D188-R190 IonicContact OD2-NE 3.02Å; D188-R190 PolarHBondContact OD2-NE 2.8Å; D188-R190 IonicContact OD2-NH2 3.2Å; D188-R190 PolarHBondContact OD2-NH2 3.42Å
189	G	69.2	Low	72.1	Confident	5 Å²	5	73.6 Å²	73.6	5%	0.052	43%	0.432	C	S	.	.	S	Bend	trans	64.6	11.9	-172.8	0	0	0	0	0	114.5	G184 G186 G191	G184-G189 PolarHBondContact N-O 3.04Å; G184-G189 WeakPolarHBondContact O-CA 3.48Å; G186-G189 PolarHBondContact O-N 3.01Å; G189-G191 VanDerWaalsContact C-N 3.26Å; G189-G191 PolarHBondContact O-N 3.33Å
190	R	72.3	Confident	71.4	Confident	154 Å²	154	81.4 Å²	81.4	58%	0.581	47%	0.469	S	S	*	.			trans	-77.1	-5.3	-174.5	-70.5	-170.7	-146.9	-145.9	8.7	114.6	D188	D188-R190 HydrophobicContact CB-CB 4.37Å; D188-R190 HydrophobicContact CB-CG 3.71Å; D188-R190 PolarHBondContact O-N 3.49Å; D188-R190 VanDerWaalsContact O-N 3.12Å; D188-R190 IonicContact OD2-CZ 2.65Å; D188-R190 IonicContact OD2-NE 3.02Å; D188-R190 PolarHBondContact OD2-NE 2.8Å; D188-R190 IonicContact OD2-NH2 3.2Å; D188-R190 PolarHBondContact OD2-NH2 3.42Å
191	G	74.6	Confident	71.1	Confident	17 Å²	17	80.8 Å²	80.8	18%	0.175	46%	0.462	C	S	.	.	S	Bend	trans	-59.5	172.7	177.5	0	0	0	0	0	112.7	G184 L185 G189 V193 R220 G221	G184-G191 VanDerWaalsContact CA-C 3.43Å; G184-G191 VanDerWaalsContact CA-O 3.3Å; G184-G191 WeakPolarHBondContact CA-O 3.2Å; L185-G191 VanDerWaalsContact O-CA 3.26Å; L185-G191 WeakPolarHBondContact O-CA 3.41Å; L185-G191 PolarHBondContact O-N 2.84Å; G189-G191 VanDerWaalsContact C-N 3.26Å; G189-G191 PolarHBondContact O-N 3.33Å; G191-V193 PolarHBondContact O-N 3.37Å; G191-R220 WeakPolarHBondContact O-CA 3.34Å; G191-G221 PolarHBondContact O-N 3.43Å
192	I	70.8	Confident	71	Confident	83 Å²	83	83.3 Å²	83.3	43%	0.426	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-72.7	125.8	176	-69.4	167.5	0	0	0	108.6	T194 P218 R219	I192-T194 WeakPolarHBondContact CG2-O 3.28Å; I192-P218 HydrophobicContact CB-CB 4.41Å; I192-P218 HydrophobicContact CD1-CB 4.07Å; I192-P218 HydrophobicContact CD1-CG 4.11Å; I192-P218 HydrophobicContact CG1-CB 4.14Å; I192-P218 HydrophobicContact CG2-CB 3.45Å; I192-P218 VanDerWaalsContact CG2-CB 3.45Å; I192-R219 WeakPolarHBondContact CA-O 3.38Å
193	V	71	Confident	70.7	Confident	37 Å²	37	84 Å²	84	22%	0.224	48%	0.482	C	S	.	.			trans	-88.8	-43.4	177.4	-179	0	0	0	0	110.8	G191 R219	G191-V193 PolarHBondContact O-N 3.37Å; V193-R219 PolarHBondContact N-O 3.1Å
194	T	68.8	Low	70.5	Confident	64 Å²	64	89.9 Å²	89.9	39%	0.393	51%	0.508	S	S	.	.	S	Bend	trans	-89	125.3	179.8	45.7	0	0	0	0	110.7	I192 V196 R219	I192-T194 WeakPolarHBondContact CG2-O 3.28Å; T194-V196 PolarHBondContact O-N 3.18Å; T194-R219 PolarHBondContact OG1-N 2.84Å
195	P	68.1	Low	70.3	Confident	91 Å²	91	92.6 Å²	92.6	59%	0.591	53%	0.525	S	S	*	.			trans	-58.5	142.4	179.7	23.7	-32.6	0	0	0	110.6	Q197	P195-Q197 PolarHBondContact O-N 3.35Å; P195-Q197 VanDerWaalsContact O-N 3.07Å
196	V	69.9	Low	69.6	Low	107 Å²	107	91.6 Å²	91.6	65%	0.648	52%	0.524	S	S	*	.			trans	-64.7	112	176.5	-179.1	0	0	0	0	108.3	T194 A198 P218	T194-V196 PolarHBondContact O-N 3.18Å; V196-A198 PolarHBondContact O-N 2.98Å; V196-P218 HydrophobicContact CG2-CB 4.17Å; V196-P218 HydrophobicContact CG2-CG 4.13Å
197	Q	68.7	Low	68.9	Low	135 Å²	135	95.2 Å²	95.2	63%	0.631	54%	0.541	S	S	*	.			trans	-77.7	110.4	175.9	-69.9	-175.5	7.1	0	0	109.3	P195 V199	P195-Q197 PolarHBondContact O-N 3.35Å; P195-Q197 VanDerWaalsContact O-N 3.07Å; Q197-V199 PolarHBondContact O-N 3.26Å
198	A	70.4	Confident	68.3	Low	99 Å²	99	92.7 Å²	92.7	82%	0.818	53%	0.534	S	S	*	.			trans	-76.3	115.1	168.1	0	0	0	0	0	108.9	V196 Q200	V196-A198 PolarHBondContact O-N 2.98Å; A198-Q200 PolarHBondContact O-N 3.17Å
199	V	66.4	Low	68.1	Low	98 Å²	98	95.9 Å²	95.9	59%	0.594	54%	0.54	S	S	*	.			trans	-84	106.6	170.9	180	0	0	0	0	107.5	Q197 R201	Q197-V199 PolarHBondContact O-N 3.26Å; V199-R201 PolarHBondContact O-N 3.48Å
200	Q	66.7	Low	67.7	Low	181 Å²	181	99.7 Å²	99.7	85%	0.846	55%	0.554	S	S	*	*			trans	-68	116.5	172.2	-172.3	177.7	8.9	0	0	109	A198	A198-Q200 PolarHBondContact O-N 3.17Å
201	R	67.2	Low	67.2	Low	88 Å²	88	94.5 Å²	94.5	33%	0.332	55%	0.548	S	S	.	.			trans	-67.2	137.4	175.7	-66.7	-178.5	-175.9	133.7	10.6	110.3	V199 G203 Y210 E213	V199-R201 PolarHBondContact O-N 3.48Å; R201-G203 PolarHBondContact O-N 3.45Å; R201-G203 VanDerWaalsContact O-N 3.14Å; R201-Y210 HydrophobicContact CB-CE2 4.28Å; R201-Y210 HydrophobicContact CG-CD2 4.34Å; R201-Y210 HydrophobicContact CG-CE2 4.35Å; R201-E213 IonicContact CZ-OE1 2.69Å; R201-E213 IonicContact CZ-OE2 3.05Å; R201-E213 IonicContact NE-OE1 2.98Å; R201-E213 PolarHBondContact NE-OE1 3.48Å; R201-E213 IonicContact NE-OE2 3.51Å; R201-E213 PolarHBondContact NE-OE2 2.92Å; R201-E213 VanDerWaalsContact NE-OE2 3.17Å; R201-E213 IonicContact NH2-OE1 3.22Å; R201-E213 IonicContact NH2-OE2 3.87Å; R201-E213 PolarHBondContact NH2-OE2 3.18Å
202	V	68.4	Low	66.6	Low	132 Å²	132	98.9 Å²	98.9	80%	0.8	58%	0.576	S	S	*	*	S	Bend	trans	-81.7	92.6	172.5	-165	0	0	0	0	108.3	Y210	V202-Y210 PolarHBondContact O-OH 2.8Å
203	G	65.3	Low	66	Low	54 Å²	54	98.9 Å²	98.9	56%	0.557	57%	0.574	S	S	*	*	S	Bend	trans	117.3	169.9	172.3	0	0	0	0	0	115.9	R201 V205	R201-G203 PolarHBondContact O-N 3.45Å; R201-G203 VanDerWaalsContact O-N 3.14Å; G203-V205 VanDerWaalsContact C-N 3.31Å; G203-V205 PolarHBondContact O-N 3.13Å
204	K	68	Low	65.6	Low	223 Å²	223	106.2 Å²	106.2	97%	0.97	60%	0.603	S	S	*	*	S	Bend	trans	-86.9	44.3	-177.5	-67.3	-178.6	175.4	-178.1	0	113.1
205	V	67.7	Low	65.1	Low	58 Å²	58	105.4 Å²	105.4	35%	0.352	60%	0.603	S	S	.	*			trans	-104.7	145.9	-176.7	-164.1	0	0	0	0	111.6	G203 Y209 Y210	G203-V205 VanDerWaalsContact C-N 3.31Å; G203-V205 PolarHBondContact O-N 3.13Å; V205-Y209 HydrophobicContact CB-CD1 4.4Å; V205-Y209 HydrophobicContact CB-CG 4.37Å; V205-Y209 HydrophobicContact CG1-CD1 3.97Å; V205-Y209 HydrophobicContact CG1-CD2 3.95Å; V205-Y209 HydrophobicContact CG1-CG 3.49Å; V205-Y209 VanDerWaalsContact CG1-CG 3.49Å; V205-Y210 HydrophobicContact CB-CE2 3.93Å
206	S	65	Low	64.8	Low	58 Å²	58	106.1 Å²	106.1	41%	0.406	61%	0.607	S	S	.	*			trans	-63.4	155.3	-179.6	49.5	0	0	0	0	113	G208 Y209 L264	S206-G208 PolarHBondContact O-N 3.46Å; S206-Y209 PolarHBondContact O-N 3.44Å; S206-Y209 VanDerWaalsContact O-N 3.09Å; S206-L264 WeakPolarHBondContact OG-CD2 3.4Å
207	V	62.7	Low	64.5	Low	103 Å²	103	105 Å²	105	62%	0.624	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.4	-31	-170.9	178.9	0	0	0	0	113.7	Y209	V207-Y209 PolarHBondContact O-N 3.03Å
208	G	61.3	Low	64.2	Low	69 Å²	69	100.8 Å²	100.8	71%	0.711	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-16.9	-177.2	0	0	0	0	0	115.9	S206	S206-G208 PolarHBondContact O-N 3.46Å
209	Y	66.9	Low	64.1	Low	157 Å²	157	100.3 Å²	100.3	62%	0.616	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	-36.5	-170.3	-178.3	-96.1	0	0	0	113.9	V205 S206 V207 G211	V205-Y209 HydrophobicContact CB-CD1 4.4Å; V205-Y209 HydrophobicContact CB-CG 4.37Å; V205-Y209 HydrophobicContact CG1-CD1 3.97Å; V205-Y209 HydrophobicContact CG1-CD2 3.95Å; V205-Y209 HydrophobicContact CG1-CG 3.49Å; V205-Y209 VanDerWaalsContact CG1-CG 3.49Å; S206-Y209 PolarHBondContact O-N 3.44Å; S206-Y209 VanDerWaalsContact O-N 3.09Å; V207-Y209 PolarHBondContact O-N 3.03Å; Y209-G211 VanDerWaalsContact C-N 3.25Å; Y209-G211 PolarHBondContact O-N 3.34Å
210	Y	62.1	Low	64	Low	85 Å²	85	103 Å²	103	33%	0.333	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	4.6	-174.2	-61.7	-80.3	0	0	0	113.6	R201 V202 V205	R201-Y210 HydrophobicContact CB-CE2 4.28Å; R201-Y210 HydrophobicContact CG-CD2 4.34Å; R201-Y210 HydrophobicContact CG-CE2 4.35Å; V202-Y210 PolarHBondContact O-OH 2.8Å; V205-Y210 HydrophobicContact CB-CE2 3.93Å
211	G	61.6	Low	63.9	Low	45 Å²	45	95.6 Å²	95.6	46%	0.464	54%	0.543	S	S	.	.			trans	71.5	-168.2	-175.4	0	0	0	0	0	112.1	Y209 E213	Y209-G211 VanDerWaalsContact C-N 3.25Å; Y209-G211 PolarHBondContact O-N 3.34Å; G211-E213 PolarHBondContact O-N 2.85Å
212	S	60.7	Low	63.7	Low	109 Å²	109	96.5 Å²	96.5	76%	0.762	55%	0.554	S	S	*	*			trans	-66.8	98.8	-179.6	59.6	0	0	0	0	110.6	K214	S212-K214 PolarHBondContact O-N 3.33Å
213	E	59.5	Low	63.2	Low	84 Å²	84	95.7 Å²	95.7	39%	0.393	54%	0.542	S	S	.	.			trans	-71.6	73.8	169	-67.9	174.6	174.3	0	0	109	R201 G211 A215	R201-E213 IonicContact CZ-OE1 2.69Å; R201-E213 IonicContact CZ-OE2 3.05Å; R201-E213 IonicContact NE-OE1 2.98Å; R201-E213 PolarHBondContact NE-OE1 3.48Å; R201-E213 IonicContact NE-OE2 3.51Å; R201-E213 PolarHBondContact NE-OE2 2.92Å; R201-E213 VanDerWaalsContact NE-OE2 3.17Å; R201-E213 IonicContact NH2-OE1 3.22Å; R201-E213 IonicContact NH2-OE2 3.87Å; R201-E213 PolarHBondContact NH2-OE2 3.18Å; G211-E213 PolarHBondContact O-N 2.85Å; E213-A215 PolarHBondContact O-N 2.92Å
214	K	61.2	Low	62.7	Low	191 Å²	191	99 Å²	99	83%	0.83	55%	0.551	S	S	*	*			trans	-76.4	83.8	166.3	-79.2	-173.6	177.3	-178.4	0	107.9	S212	S212-K214 PolarHBondContact O-N 3.33Å
215	A	59.4	Low	61.7	Low	47 Å²	47	93.1 Å²	93.1	39%	0.388	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-58.7	140.3	154.2	0	0	0	0	0	107.4	E213 A217	E213-A215 PolarHBondContact O-N 2.92Å; A215-A217 PolarHBondContact O-N 3.17Å; A215-A217 VanDerWaalsContact O-N 3.15Å
216	P	61.4	Low	60.6	Low	105 Å²	105	95.6 Å²	95.6	68%	0.682	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-53.6	127	175	21.7	-31	0	0	0	108.3
217	A	63.2	Low	59.2	Low	84 Å²	84	101.2 Å²	101.2	69%	0.694	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-57.1	135.9	-178.5	0	0	0	0	0	109	A215 R219	A215-A217 PolarHBondContact O-N 3.17Å; A215-A217 VanDerWaalsContact O-N 3.15Å; A217-R219 PolarHBondContact O-N 3.14Å; A217-R219 VanDerWaalsContact O-N 3.15Å
218	P	64	Low	57.9	Low	47 Å²	47	104.3 Å²	104.3	31%	0.305	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-56.7	122.9	175.2	19.7	-29.4	0	0	0	109.4	I192 V196	I192-P218 HydrophobicContact CB-CB 4.41Å; I192-P218 HydrophobicContact CD1-CB 4.07Å; I192-P218 HydrophobicContact CD1-CG 4.11Å; I192-P218 HydrophobicContact CG1-CB 4.14Å; I192-P218 HydrophobicContact CG2-CB 3.45Å; I192-P218 VanDerWaalsContact CG2-CB 3.45Å; V196-P218 HydrophobicContact CG2-CB 4.17Å; V196-P218 HydrophobicContact CG2-CG 4.13Å
219	R	66.3	Low	56.7	Low	88 Å²	88	106.1 Å²	106.1	33%	0.332	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-74.7	132	-175.5	-175.7	174.7	174	-166.5	-4.9	109.1	I192 V193 T194 A217 E223 V225	I192-R219 WeakPolarHBondContact CA-O 3.38Å; V193-R219 PolarHBondContact N-O 3.1Å; T194-R219 PolarHBondContact OG1-N 2.84Å; A217-R219 PolarHBondContact O-N 3.14Å; A217-R219 VanDerWaalsContact O-N 3.15Å; R219-E223 HydrophobicContact CG-CB 4.3Å; R219-E223 PolarHBondContact NE-O 3.29Å; R219-E223 PolarHBondContact NH2-O 3.18Å; R219-V225 VanDerWaalsContact NH2-N 3.16Å
220	R	66.3	Low	55.1	Low	155 Å²	155	105.2 Å²	105.2	59%	0.585	59%	0.592	S	S	*	*	B	Isolated β-bridge	trans	-85.7	147.7	169.2	-63.7	-175.1	-177.3	-162.6	-0.3	109.3	G191 N222 E223	G191-R220 WeakPolarHBondContact O-CA 3.34Å; R220-N222 PolarHBondContact O-N 3.22Å; R220-E223 PolarHBondContact O-N 3.18Å; R220-E223 VanDerWaalsContact O-N 3.08Å
221	G	63.1	Low	53.9	Low	25 Å²	25	107.2 Å²	107.2	26%	0.258	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.4	-23.4	-172.3	0	0	0	0	0	116.1	G191	G191-G221 PolarHBondContact O-N 3.43Å
222	N	63.1	Low	52.5	Low	108 Å²	108	113.3 Å²	113.3	58%	0.578	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-4	-174.8	-61.3	4.6	0	0	0	114.4	R220	R220-N222 PolarHBondContact O-N 3.22Å
223	E	58	Low	51.1	Low	115 Å²	115	110.6 Å²	110.6	54%	0.537	62%	0.624	S	S	.	*	S	Bend	trans	-84.9	131.2	177.1	-75	175	166.7	0	0	110.1	R219 R220	R219-E223 HydrophobicContact CG-CB 4.3Å; R219-E223 PolarHBondContact NE-O 3.29Å; R219-E223 PolarHBondContact NH2-O 3.18Å; R220-E223 PolarHBondContact O-N 3.18Å; R220-E223 VanDerWaalsContact O-N 3.08Å
224	T	54.4	Low	49.8	Very low	123 Å²	123	111.5 Å²	111.5	76%	0.755	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-70.7	147.7	172.1	42.9	0	0	0	0	111.3	P226	T224-P226 VanDerWaalsContact O-CD 3.23Å; T224-P226 WeakPolarHBondContact O-CD 3.34Å
225	V	48.5	Very low	48.3	Very low	99 Å²	99	114 Å²	114	60%	0.6	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-54.7	118.6	176.8	-178.4	0	0	0	0	108.2	R219 E227	R219-V225 VanDerWaalsContact NH2-N 3.16Å; V225-E227 PolarHBondContact O-N 3.15Å
226	P	44.4	Very low	47.1	Very low	110 Å²	110	121.6 Å²	121.6	71%	0.714	66%	0.662	S	S	*	*			trans	-66.4	115.3	167	-16.3	31.4	0	0	0	107.6	T224	T224-P226 VanDerWaalsContact O-CD 3.23Å; T224-P226 WeakPolarHBondContact O-CD 3.34Å
227	E	34.4	Very low	45.8	Very low	177 Å²	177	126.2 Å²	126.2	83%	0.827	67%	0.671	S	S	*	*			trans	-58.3	145.6	169.8	-75.1	-129	145.5	0	0	110.3	V225 S229	V225-E227 PolarHBondContact O-N 3.15Å; E227-S229 PolarHBondContact O-N 2.93Å
228	D	36.3	Very low	44.3	Very low	167 Å²	167	131.5 Å²	131.5	89%	0.893	68%	0.679	S	S	*	*			trans	-48.6	87.2	-173	-63.1	-53.1	0	0	0	112.9
229	S	35.8	Very low	42.9	Very low	107 Å²	107	141.1 Å²	141.1	75%	0.748	71%	0.709	S	S	*	*			trans	-87.2	112	166.4	67.4	0	0	0	0	108.5	E227	E227-S229 PolarHBondContact O-N 2.93Å
230	D	32.3	Very low	41.2	Very low	139 Å²	139	143 Å²	143	74%	0.743	73%	0.732	S	S	*	*			trans	-37.9	128	-179.4	-69.1	-55.7	0	0	0	113.2	I232	D230-I232 PolarHBondContact O-N 2.71Å
231	P	37.9	Very low	39.6	Very low	127 Å²	127	139.1 Å²	139.1	83%	0.825	74%	0.74	S	S	*	*			trans	-69.2	95.8	-178.6	26.4	-31.2	0	0	0	110	G233	P231-G233 PolarHBondContact O-N 2.99Å
232	I	32.6	Very low	38.2	Very low	172 Å²	172	145.7 Å²	145.7	88%	0.882	77%	0.769	S	S	*	*			trans	-74.3	63.5	162	-57.5	170.6	0	0	0	107.2	D230	D230-I232 PolarHBondContact O-N 2.71Å
233	G	31.1	Very low	36.8	Very low	52 Å²	52	149.7 Å²	149.7	54%	0.536	78%	0.784	S	S	.	*			trans	-90.8	129	169.1	0	0	0	0	0	108.8	P231 R235	P231-G233 PolarHBondContact O-N 2.99Å; G233-R235 PolarHBondContact O-N 3.03Å
234	P	32.1	Very low	35.7	Very low	104 Å²	104	155.5 Å²	155.5	68%	0.675	80%	0.801	S	S	*	*			trans	-56.5	125.2	-176.7	20.3	-30.2	0	0	0	110.9	Y236	P234-Y236 VanDerWaalsContact C-N 3.29Å; P234-Y236 HydrophobicContact CB-CE2 4.38Å; P234-Y236 HydrophobicContact CG-CE2 4.08Å; P234-Y236 WeakPolarHBondContact O-CD2 3.2Å; P234-Y236 PolarHBondContact O-N 2.64Å
235	R	30.6	Very low	34.9	Very low	242 Å²	242	155 Å²	155	91%	0.913	80%	0.802	S	S	*	*			trans	-57.4	86.9	172.8	-82.4	177.2	168.2	169.5	-3.7	109.9	G233 K237	G233-R235 PolarHBondContact O-N 3.03Å; R235-K237 PolarHBondContact O-N 3.33Å; R235-K237 VanDerWaalsContact O-N 3.14Å
236	Y	33.6	Very low	34.3	Very low	208 Å²	208	159.5 Å²	159.5	82%	0.816	82%	0.817	S	S	*	*			trans	-72	106.1	157.7	-75.7	-82.7	0	0	0	107.3	P234 K238	P234-Y236 VanDerWaalsContact C-N 3.29Å; P234-Y236 HydrophobicContact CB-CE2 4.38Å; P234-Y236 HydrophobicContact CG-CE2 4.08Å; P234-Y236 WeakPolarHBondContact O-CD2 3.2Å; P234-Y236 PolarHBondContact O-N 2.64Å; Y236-K238 PolarHBondContact O-N 3.34Å
237	K	33.8	Very low	33.9	Very low	201 Å²	201	158.8 Å²	158.8	87%	0.874	82%	0.82	S	S	*	*			trans	-58.3	102.8	173.1	-68.6	179.6	178.6	177.7	0	108.1	R235 R239	R235-K237 PolarHBondContact O-N 3.33Å; R235-K237 VanDerWaalsContact O-N 3.14Å; K237-R239 PolarHBondContact O-N 3.35Å; K237-R239 VanDerWaalsContact O-N 3.09Å
238	K	31.6	Very low	33.9	Very low	196 Å²	196	155.6 Å²	155.6	85%	0.852	82%	0.818	S	S	*	*			trans	-51.8	115.2	160.4	-94.7	-178.9	173.7	176.4	0	106.9	Y236 P240	Y236-K238 PolarHBondContact O-N 3.34Å; K238-P240 VanDerWaalsContact O-CD 3.29Å; K238-P240 WeakPolarHBondContact O-CD 3.38Å
239	R	34.6	Very low	33.8	Very low	248 Å²	248	156.6 Å²	156.6	94%	0.936	81%	0.814	S	S	*	*			trans	-60.7	120.6	168.7	-97.7	-178.2	173.2	176.2	-2.4	107.8	K237	K237-R239 PolarHBondContact O-N 3.35Å; K237-R239 VanDerWaalsContact O-N 3.09Å
240	P	31.7	Very low	34.3	Very low	127 Å²	127	157.1 Å²	157.1	83%	0.825	82%	0.815	S	S	*	*			trans	-73.9	138.9	175.3	-6.8	23.6	0	0	0	109.5	K238	K238-P240 VanDerWaalsContact O-CD 3.29Å; K238-P240 WeakPolarHBondContact O-CD 3.38Å
241	G	32.2	Very low	34.8	Very low	74 Å²	74	157.9 Å²	157.9	76%	0.763	82%	0.817	S	S	*	*			trans	94.4	76	159.6	0	0	0	0	0	116
242	L	32.5	Very low	35.4	Very low	164 Å²	164	158.9 Å²	158.9	86%	0.859	81%	0.811	S	S	*	*			trans	-137.3	95.2	130.1	-160.7	70.1	0	0	0	106.8	R244	L242-R244 PolarHBondContact O-N 2.89Å
243	Q	35.2	Very low	36.1	Very low	191 Å²	191	159.1 Å²	159.1	89%	0.893	81%	0.809	S	S	*	*			trans	-58.4	107.7	168.3	-78.3	169.1	-16.2	0	0	107	S245	Q243-S245 PolarHBondContact O-N 3.47Å
244	R	33.9	Very low	37.1	Very low	238 Å²	238	166 Å²	166	90%	0.898	82%	0.82	S	S	*	*			trans	-68.7	97.8	168.1	-97.3	178.2	170.8	165	-3	107.3	L242	L242-R244 PolarHBondContact O-N 2.89Å
245	S	37.7	Very low	38.4	Very low	111 Å²	111	166.3 Å²	166.3	78%	0.776	81%	0.81	S	S	*	*			trans	-62.8	135.5	156.3	46.9	0	0	0	0	108.2	Q243 A247	Q243-S245 PolarHBondContact O-N 3.47Å; S245-A247 PolarHBondContact O-N 3.46Å
246	Q	37.4	Very low	39.8	Very low	194 Å²	194	158.6 Å²	158.6	91%	0.907	79%	0.79	S	S	*	*	S	Bend	trans	-63.6	114.8	175.6	-57.4	176.3	8.5	0	0	108.8
247	A	35.4	Very low	40.7	Very low	95 Å²	95	154.1 Å²	154.1	79%	0.785	78%	0.784	S	S	*	*			trans	175.5	143.2	148.7	0	0	0	0	0	110.3	S245	S245-A247 PolarHBondContact O-N 3.46Å
248	S	33.9	Very low	41.7	Very low	110 Å²	110	151.3 Å²	151.3	77%	0.769	78%	0.775	S	S	*	*			trans	78.9	119.7	167.6	-165.2	0	0	0	0	116.9
249	K	35.2	Very low	43	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-49.6	132.6	172.6	-61.8	172.8	-179.4	178.7	0	108.9	I251	K249-I251 PolarHBondContact O-N 3.23Å
250	P	46.2	Very low	44.1	Very low	118 Å²	118	139.3 Å²	139.3	77%	0.766	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-62.5	117.3	-177	26.1	-32.2	0	0	0	108.2	Q252	P250-Q252 PolarHBondContact O-N 3Å; P250-Q252 VanDerWaalsContact O-N 3.12Å
251	I	42.7	Very low	45.1	Very low	156 Å²	156	137.6 Å²	137.6	80%	0.8	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-55.3	120.8	165.5	-65.3	170.5	0	0	0	105.1	K249 E253	K249-I251 PolarHBondContact O-N 3.23Å; I251-E253 PolarHBondContact O-N 3.17Å
252	Q	49	Very low	46	Very low	148 Å²	148	134.8 Å²	134.8	69%	0.692	69%	0.691	S	S	*	*			trans	-67.8	92.1	175.6	-69.8	178.5	-4.2	0	0	106.8	P250 Y254	P250-Q252 PolarHBondContact O-N 3Å; P250-Q252 VanDerWaalsContact O-N 3.12Å; Q252-Y254 WeakPolarHBondContact O-CD2 3.38Å; Q252-Y254 PolarHBondContact O-N 3.37Å; Q252-Y254 VanDerWaalsContact O-N 3.14Å
253	E	48.4	Very low	47	Very low	177 Å²	177	129.4 Å²	129.4	83%	0.827	66%	0.663	S	S	*	*			trans	-72.7	106.4	172.6	-151	166.4	-147.8	0	0	106.4	I251 K255	I251-E253 PolarHBondContact O-N 3.17Å; E253-K255 PolarHBondContact O-N 3.35Å
254	Y	50.8	Low	47.8	Very low	197 Å²	197	125.7 Å²	125.7	77%	0.773	65%	0.649	S	S	*	*			trans	-66.8	107	178.4	-64.4	-85.9	0	0	0	107.9	Q252 T256	Q252-Y254 WeakPolarHBondContact O-CD2 3.38Å; Q252-Y254 PolarHBondContact O-N 3.37Å; Q252-Y254 VanDerWaalsContact O-N 3.14Å; Y254-T256 PolarHBondContact O-N 2.86Å
255	K	60.9	Low	48.3	Very low	110 Å²	110	117.1 Å²	117.1	48%	0.478	63%	0.625	S	S	.	*			trans	-63.8	130.2	169.9	-67.4	-168	165.8	178.8	0	108.8	E253 E259 L260 D263	E253-K255 PolarHBondContact O-N 3.35Å; K255-E259 WeakPolarHBondContact CA-OE2 2.97Å; K255-E259 HydrophobicContact CB-CB 3.99Å; K255-E259 WeakPolarHBondContact CB-OE2 3.47Å; K255-E259 HydrophobicContact CD-CB 4.42Å; K255-E259 HydrophobicContact CG-CB 4.45Å; K255-E259 VanDerWaalsContact CG-OE2 3.27Å; K255-E259 WeakPolarHBondContact CG-OE2 3.35Å; K255-L260 HydrophobicContact CB-CG 4.47Å; K255-D263 IonicContact NZ-OD2 2.73Å; K255-D263 PolarHBondContact NZ-OD2 3.04Å
256	T	59.5	Low	48.9	Very low	79 Å²	79	115.9 Å²	115.9	49%	0.485	61%	0.614	S	S	.	*			trans	-63.5	157.7	173.3	60.3	0	0	0	0	109.6	Y254 E258 E259 L260	Y254-T256 PolarHBondContact O-N 2.86Å; T256-E258 PolarHBondContact O-N 3.36Å; T256-E258 VanDerWaalsContact O-N 3.08Å; T256-E259 PolarHBondContact O-N 3.3Å; T256-E259 PolarHBondContact OG1-N 3.1Å; T256-L260 PolarHBondContact O-N 2.92Å; T256-L260 VanDerWaalsContact O-N 3.15Å
257	T	52.1	Low	49.3	Very low	114 Å²	114	111 Å²	111	70%	0.699	61%	0.606	S	S	*	*	H	α-helix	trans	-51.6	-32.4	174.5	47.4	0	0	0	0	111.8	L260 V261	T257-L260 PolarHBondContact O-N 3.04Å; T257-V261 WeakPolarHBondContact O-CG2 3.4Å; T257-V261 PolarHBondContact O-N 3.46Å; T257-V261 VanDerWaalsContact O-N 3.11Å
258	E	55.5	Low	49.7	Very low	143 Å²	143	109.3 Å²	109.3	67%	0.668	59%	0.587	S	S	*	*	H	α-helix	trans	-67.5	-40.2	176.5	-57.4	-165.7	151.4	0	0	113.5	T256 V261 A262	T256-E258 PolarHBondContact O-N 3.36Å; T256-E258 VanDerWaalsContact O-N 3.08Å; E258-V261 PolarHBondContact O-N 2.92Å; E258-A262 PolarHBondContact O-N 3.36Å; E258-A262 VanDerWaalsContact O-N 3.08Å
259	E	58.5	Low	50.3	Low	102 Å²	102	105.9 Å²	105.9	48%	0.477	56%	0.562	S	S	.	*	H	α-helix	trans	-68.5	-37	175.7	-75.9	-170.4	156	0	0	112.1	K255 T256 A262 D263	K255-E259 WeakPolarHBondContact CA-OE2 2.97Å; K255-E259 HydrophobicContact CB-CB 3.99Å; K255-E259 WeakPolarHBondContact CB-OE2 3.47Å; K255-E259 HydrophobicContact CD-CB 4.42Å; K255-E259 HydrophobicContact CG-CB 4.45Å; K255-E259 VanDerWaalsContact CG-OE2 3.27Å; K255-E259 WeakPolarHBondContact CG-OE2 3.35Å; T256-E259 PolarHBondContact O-N 3.3Å; T256-E259 PolarHBondContact OG1-N 3.1Å; E259-A262 WeakPolarHBondContact O-CB 3.39Å; E259-A262 PolarHBondContact O-N 2.93Å; E259-D263 PolarHBondContact O-N 3.26Å
260	L	58.4	Low	50.8	Low	90 Å²	90	99.6 Å²	99.6	47%	0.471	55%	0.545	S	S	.	.	H	α-helix	trans	-64.6	-41.6	175.2	-88.7	163.5	0	0	0	112.3	K255 T256 T257 A262 D263 L264	K255-L260 HydrophobicContact CB-CG 4.47Å; T256-L260 PolarHBondContact O-N 2.92Å; T256-L260 VanDerWaalsContact O-N 3.15Å; T257-L260 PolarHBondContact O-N 3.04Å; L260-A262 VanDerWaalsContact C-N 3.31Å; L260-A262 PolarHBondContact O-N 3.34Å; L260-D263 PolarHBondContact O-N 3.32Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 3.48Å
261	V	52.8	Low	51	Low	91 Å²	91	94.8 Å²	94.8	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-63.3	-40	174.4	171.6	0	0	0	0	110.9	T257 E258 D263 L264 C265	T257-V261 WeakPolarHBondContact O-CG2 3.4Å; T257-V261 PolarHBondContact O-N 3.46Å; T257-V261 VanDerWaalsContact O-N 3.11Å; E258-V261 PolarHBondContact O-N 2.92Å; V261-D263 VanDerWaalsContact C-N 3.29Å; V261-D263 PolarHBondContact O-N 2.92Å; V261-L264 PolarHBondContact O-N 2.94Å; V261-C265 PolarHBondContact O-N 3.11Å
262	A	50.6	Low	51.2	Low	14 Å²	14	88.1 Å²	88.1	12%	0.116	48%	0.481	C	S	.	.	H	α-helix	trans	-61.1	-39.8	175.8	0	0	0	0	0	111.6	E258 E259 L260 R275	E258-A262 PolarHBondContact O-N 3.36Å; E258-A262 VanDerWaalsContact O-N 3.08Å; E259-A262 WeakPolarHBondContact O-CB 3.39Å; E259-A262 PolarHBondContact O-N 2.93Å; L260-A262 VanDerWaalsContact C-N 3.31Å; L260-A262 PolarHBondContact O-N 3.34Å; A262-R275 VanDerWaalsContact C-NH2 3.31Å; A262-R275 HydrophobicContact CB-CG 4Å; A262-R275 PolarHBondContact O-NH2 2.95Å
263	D	53.9	Low	51.2	Low	51 Å²	51	83.8 Å²	83.8	27%	0.273	47%	0.465	S	S	.	.	H	α-helix	trans	-68.4	-36.8	177.7	-83.7	-18.9	0	0	0	114.1	K255 E259 L260 V261 R275	K255-D263 IonicContact NZ-OD2 2.73Å; K255-D263 PolarHBondContact NZ-OD2 3.04Å; E259-D263 PolarHBondContact O-N 3.26Å; L260-D263 PolarHBondContact O-N 3.32Å; V261-D263 VanDerWaalsContact C-N 3.29Å; V261-D263 PolarHBondContact O-N 2.92Å; D263-R275 VanDerWaalsContact CA-NH2 3.31Å; D263-R275 IonicContact OD1-CZ 3.72Å; D263-R275 IonicContact OD1-NH1 2.73Å; D263-R275 PolarHBondContact OD1-NH1 3.47Å; D263-R275 IonicContact OD1-NH2 4Å; D263-R275 PolarHBondContact OD1-NH2 3.01Å
264	L	50.8	Low	51.2	Low	114 Å²	114	85 Å²	85	60%	0.597	46%	0.462	S	S	*	.	H	α-helix	trans	-78	-23.2	-177.5	-70.4	173	0	0	0	114.3	S206 L260 V261	S206-L264 WeakPolarHBondContact OG-CD2 3.4Å; L260-L264 WeakPolarHBondContact O-CG 3.49Å; L260-L264 PolarHBondContact O-N 3.48Å; V261-L264 PolarHBondContact O-N 2.94Å
265	C	45.8	Very low	51	Low	58 Å²	58	80.6 Å²	80.6	39%	0.392	44%	0.444	S	S	.	.			trans	-130.9	73.4	178.7	-157.9	0	0	0	0	111.8	V261 A267 T268 T271	V261-C265 PolarHBondContact O-N 3.11Å; C265-A267 PolarHBondContact O-N 2.9Å; C265-T268 PolarHBondContact O-OG1 3.11Å; C265-T271 WeakPolarHBondContact O-CB 3.39Å; C265-T271 PolarHBondContact O-OG1 3.12Å
266	P	49.5	Very low	50.4	Low	85 Å²	85	82.4 Å²	82.4	55%	0.552	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.3	177.6	26.5	-32.6	0	0	0	113.3
267	A	44.7	Very low	49.9	Very low	90 Å²	90	80.4 Å²	80.4	74%	0.744	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10	-169.9	0	0	0	0	0	114.8	C265 P269	C265-A267 PolarHBondContact O-N 2.9Å; A267-P269 WeakPolarHBondContact O-CD 2.99Å
268	T	44.3	Very low	49.6	Very low	61 Å²	61	82.2 Å²	82.2	37%	0.374	45%	0.448	S	S	.	.	S	Bend	trans	-84.9	124.6	172.8	40.7	0	0	0	0	110.4	C265 A270 T271 A272	C265-T268 PolarHBondContact O-OG1 3.11Å; T268-A270 PolarHBondContact O-N 2.81Å; T268-T271 PolarHBondContact O-N 3.22Å; T268-T271 PolarHBondContact O-OG1 3.38Å; T268-T271 WeakPolarHBondContact OG1-CG2 3.34Å; T268-T271 PolarHBondContact OG1-OG1 3.29Å; T268-A272 PolarHBondContact O-N 2.89Å
269	P	47.7	Very low	48.9	Very low	38 Å²	38	83.7 Å²	83.7	25%	0.247	45%	0.452	C	S	.	.	H	α-helix	trans	-60.5	-20	179	16	-24.1	0	0	0	113.1	A267 A272 V273 Y304 L308	A267-P269 WeakPolarHBondContact O-CD 2.99Å; P269-A272 PolarHBondContact O-N 3.21Å; P269-V273 VanDerWaalsContact O-CG2 3.27Å; P269-V273 WeakPolarHBondContact O-CG2 3.19Å; P269-V273 PolarHBondContact O-N 3.22Å; P269-Y304 HydrophobicContact CB-CG 4.41Å; P269-Y304 HydrophobicContact CG-CD1 3.98Å; P269-Y304 HydrophobicContact CG-CG 4.31Å; P269-L308 HydrophobicContact CB-CD1 3.53Å; P269-L308 HydrophobicContact CB-CG 4.46Å; P269-L308 HydrophobicContact CG-CD1 3.81Å; P269-L308 HydrophobicContact CG-CG 4.43Å
270	A	45.6	Very low	48.4	Very low	55 Å²	55	79.3 Å²	79.3	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-63.1	-37.6	168.9	0	0	0	0	0	114	T268 R274	T268-A270 PolarHBondContact O-N 2.81Å; A270-R274 WeakPolarHBondContact O-CG 3.22Å; A270-R274 PolarHBondContact O-N 2.91Å
271	T	48.8	Very low	47.8	Very low	17 Å²	17	82.1 Å²	82.1	10%	0.104	44%	0.443	C	S	.	.	H	α-helix	trans	-76.6	-32.8	176.3	48.4	0	0	0	0	111.4	C265 T268 R274 R275	C265-T271 WeakPolarHBondContact O-CB 3.39Å; C265-T271 PolarHBondContact O-OG1 3.12Å; T268-T271 PolarHBondContact O-N 3.22Å; T268-T271 PolarHBondContact O-OG1 3.38Å; T268-T271 WeakPolarHBondContact OG1-CG2 3.34Å; T268-T271 PolarHBondContact OG1-OG1 3.29Å; T271-R274 PolarHBondContact O-N 3.36Å; T271-R275 PolarHBondContact O-N 3.37Å
272	A	47.8	Very low	47.6	Very low	16 Å²	16	85 Å²	85	13%	0.132	46%	0.455	C	S	.	.	H	α-helix	trans	-64.4	-43.5	172.4	0	0	0	0	0	112.3	T268 P269 R274 R275 Y276 L280	T268-A272 PolarHBondContact O-N 2.89Å; P269-A272 PolarHBondContact O-N 3.21Å; A272-R274 VanDerWaalsContact C-N 3.33Å; A272-R274 PolarHBondContact O-N 3.27Å; A272-R275 PolarHBondContact O-N 3.42Å; A272-Y276 WeakPolarHBondContact O-CD2 3.33Å; A272-Y276 PolarHBondContact O-N 3.25Å; A272-L280 HydrophobicContact CB-CD1 4.35Å
273	V	49.5	Very low	47.7	Very low	58 Å²	58	86.3 Å²	86.3	35%	0.352	46%	0.463	S	S	.	.	H	α-helix	trans	-64.2	-37	175.6	171.8	0	0	0	0	111.4	P269 G277	P269-V273 VanDerWaalsContact O-CG2 3.27Å; P269-V273 WeakPolarHBondContact O-CG2 3.19Å; P269-V273 PolarHBondContact O-N 3.22Å; V273-G277 WeakPolarHBondContact O-CA 3.31Å; V273-G277 PolarHBondContact O-N 3.48Å
274	R	48.9	Very low	47.9	Very low	202 Å²	202	90.2 Å²	90.2	76%	0.762	48%	0.48	S	S	*	.	H	α-helix	trans	-69.1	-40.7	174.9	-73.9	-172.7	-165.1	-179.9	4.2	112.9	A270 T271 A272	A270-R274 WeakPolarHBondContact O-CG 3.22Å; A270-R274 PolarHBondContact O-N 2.91Å; T271-R274 PolarHBondContact O-N 3.36Å; A272-R274 VanDerWaalsContact C-N 3.33Å; A272-R274 PolarHBondContact O-N 3.27Å
275	R	46.5	Very low	48	Very low	104 Å²	104	89 Å²	89	39%	0.392	47%	0.473	S	S	.	.	H	α-helix	trans	-71.2	-42.5	179.7	-81.1	-151.7	-124.6	-171	4.3	113.7	A262 D263 T271 A272	A262-R275 VanDerWaalsContact C-NH2 3.31Å; A262-R275 HydrophobicContact CB-CG 4Å; A262-R275 PolarHBondContact O-NH2 2.95Å; D263-R275 VanDerWaalsContact CA-NH2 3.31Å; D263-R275 IonicContact OD1-CZ 3.72Å; D263-R275 IonicContact OD1-NH1 2.73Å; D263-R275 PolarHBondContact OD1-NH1 3.47Å; D263-R275 IonicContact OD1-NH2 4Å; D263-R275 PolarHBondContact OD1-NH2 3.01Å; T271-R275 PolarHBondContact O-N 3.37Å; A272-R275 PolarHBondContact O-N 3.42Å
276	Y	47.9	Very low	48.7	Very low	149 Å²	149	87.1 Å²	87.1	58%	0.584	46%	0.461	S	S	*	.	H	α-helix	trans	-101.1	-1.4	-173.3	-65.1	-72.1	0	0	0	113.3	A272 F279 L280	A272-Y276 WeakPolarHBondContact O-CD2 3.33Å; A272-Y276 PolarHBondContact O-N 3.25Å; Y276-F279 WeakPolarHBondContact O-CB 3.44Å; Y276-F279 PolarHBondContact O-N 3.21Å; Y276-L280 HydrophobicContact CD2-CD1 4.32Å
277	G	48.1	Very low	49.4	Very low	36 Å²	36	89.7 Å²	89.7	37%	0.371	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-154.4	-172.9	0	0	0	0	0	110.9	V273 F279	V273-G277 WeakPolarHBondContact O-CA 3.31Å; V273-G277 PolarHBondContact O-N 3.48Å; G277-F279 PolarHBondContact O-N 2.79Å
278	I	46.5	Very low	50.4	Low	153 Å²	153	88.3 Å²	88.3	79%	0.785	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-2.9	178	-58.7	161.4	0	0	0	112	L280	I278-L280 VanDerWaalsContact C-N 3.31Å; I278-L280 PolarHBondContact O-N 3.03Å
279	F	41.1	Very low	51.9	Low	174 Å²	174	93 Å²	93	76%	0.763	46%	0.461	S	S	*	.			trans	-89.9	48.6	178.6	-97.4	-91.3	0	0	0	112.9	Y276 G277 E281	Y276-F279 WeakPolarHBondContact O-CB 3.44Å; Y276-F279 PolarHBondContact O-N 3.21Å; G277-F279 PolarHBondContact O-N 2.79Å; F279-E281 VanDerWaalsContact C-N 3.3Å
280	L	47.3	Very low	53.1	Low	10 Å²	10	92.6 Å²	92.6	5%	0.052	46%	0.457	C	S	.	.			trans	-92.1	21.9	170.3	-152.5	76.8	0	0	0	112.6	A272 Y276 I278 N282 S286 E305	A272-L280 HydrophobicContact CB-CD1 4.35Å; Y276-L280 HydrophobicContact CD2-CD1 4.32Å; I278-L280 VanDerWaalsContact C-N 3.31Å; I278-L280 PolarHBondContact O-N 3.03Å; L280-N282 PolarHBondContact O-N 3.24Å; L280-S286 WeakPolarHBondContact O-CB 3.36Å; L280-E305 HydrophobicContact CD2-CB 4.34Å
281	E	46.2	Very low	54.4	Low	149 Å²	149	94.3 Å²	94.3	70%	0.696	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.9	-177.7	-71.7	-165.8	151.4	0	0	113.7	F279	F279-E281 VanDerWaalsContact C-N 3.3Å
282	N	47.5	Very low	55.7	Low	151 Å²	151	94.9 Å²	94.9	81%	0.807	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	10.6	-167.8	-66.3	-28.1	0	0	0	116.2	L280	L280-N282 PolarHBondContact O-N 3.24Å
283	S	54	Low	56.5	Low	41 Å²	41	101.7 Å²	101.7	29%	0.287	49%	0.491	S	S	.	.			trans	-87.5	137.1	175.7	-173.4	0	0	0	0	110.7	L285 S286	S283-L285 PolarHBondContact O-N 3.25Å; S283-L285 PolarHBondContact OG-N 3.25Å; S283-S286 WeakPolarHBondContact O-CB 3.1Å; S283-S286 PolarHBondContact O-N 3.43Å; S283-S286 PolarHBondContact O-OG 3.46Å
284	E	57.2	Low	57.2	Low	133 Å²	133	105.2 Å²	105.2	62%	0.621	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-56.2	-20.6	172.7	-71.8	-65.6	131.1	0	0	112.4	S286 K287	E284-S286 VanDerWaalsContact C-N 3.34Å; E284-K287 PolarHBondContact O-N 3.26Å; E284-K287 IonicContact OE1-NZ 2.81Å; E284-K287 PolarHBondContact OE1-NZ 2.82Å
285	L	53.6	Low	57.8	Low	89 Å²	89	97.6 Å²	97.6	47%	0.466	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-68.6	-27.1	171.7	-63.5	175	0	0	0	113.5	S283 K287 Y304	S283-L285 PolarHBondContact O-N 3.25Å; S283-L285 PolarHBondContact OG-N 3.25Å; L285-K287 VanDerWaalsContact C-N 3.26Å; L285-K287 PolarHBondContact O-N 3.09Å; L285-Y304 HydrophobicContact CB-CD2 4.34Å; L285-Y304 HydrophobicContact CD2-CE2 4.4Å; L285-Y304 WeakPolarHBondContact O-CD2 3.36Å
286	S	60.5	Low	59	Low	19 Å²	19	103.2 Å²	103.2	13%	0.133	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-71.3	-22.4	175	73	0	0	0	0	111.8	L280 S283 E284 S302 G303	L280-S286 WeakPolarHBondContact O-CB 3.36Å; S283-S286 WeakPolarHBondContact O-CB 3.1Å; S283-S286 PolarHBondContact O-N 3.43Å; S283-S286 PolarHBondContact O-OG 3.46Å; E284-S286 VanDerWaalsContact C-N 3.34Å; S286-S302 CarbonylContact O-C 3.48Å; S286-G303 WeakPolarHBondContact O-CA 3.37Å
287	K	64.1	Low	60.2	Low	139 Å²	139	101.9 Å²	101.9	60%	0.604	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-86.4	-8.9	179.7	-63.5	175.2	-169.8	162.6	0	114.4	E284 L285 K289	E284-K287 PolarHBondContact O-N 3.26Å; E284-K287 IonicContact OE1-NZ 2.81Å; E284-K287 PolarHBondContact OE1-NZ 2.82Å; L285-K287 VanDerWaalsContact C-N 3.26Å; L285-K287 PolarHBondContact O-N 3.09Å; K287-K289 PolarHBondContact O-N 2.89Å
288	V	66	Low	61.5	Low	60 Å²	60	107 Å²	107	36%	0.364	53%	0.531	S	S	.	.	S	Bend	trans	-71.6	121.2	-178.7	-179.9	0	0	0	0	109.5	V290 G303 Y304	V288-V290 PolarHBondContact O-N 3.33Å; V288-V290 VanDerWaalsContact O-N 3.14Å; V288-G303 WeakPolarHBondContact O-CA 3.39Å; V288-G303 PolarHBondContact O-N 2.73Å; V288-G303 VanDerWaalsContact O-N 3.12Å; V288-Y304 HydrophobicContact CB-CD2 4.48Å; V288-Y304 HydrophobicContact CB-CE2 4.14Å; V288-Y304 HydrophobicContact CG1-CE2 4.21Å; V288-Y304 HydrophobicContact CG2-CE2 4.47Å
289	K	74.8	Confident	62.9	Low	160 Å²	160	102.4 Å²	102.4	70%	0.696	51%	0.506	S	S	*	.			trans	-66.5	111.2	171.6	-77.2	-178.2	178.9	179.4	0	109.5	K287 V300 Y301	K287-K289 PolarHBondContact O-N 2.89Å; K289-V300 HydrophobicContact CB-CG1 4.07Å; K289-V300 HydrophobicContact CD-CG1 4.08Å; K289-V300 HydrophobicContact CG-CG1 4.15Å; K289-Y301 CarbonylContact C-O 3.51Å; K289-Y301 VanDerWaalsContact CA-O 3.29Å; K289-Y301 WeakPolarHBondContact CA-O 3.44Å
290	V	72.9	Confident	64.7	Low	29 Å²	29	98.1 Å²	98.1	18%	0.176	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111.5	175.8	-178.6	0	0	0	0	107.9	V288 Y301 Y304 A307	V288-V290 PolarHBondContact O-N 3.33Å; V288-V290 VanDerWaalsContact O-N 3.14Å; V290-Y301 PolarHBondContact N-O 3.36Å; V290-Y301 PolarHBondContact O-N 3.21Å; V290-Y304 HydrophobicContact CG2-CD1 3.88Å; V290-Y304 HydrophobicContact CG2-CD2 4.32Å; V290-Y304 HydrophobicContact CG2-CE1 4.04Å; V290-Y304 HydrophobicContact CG2-CE2 4.47Å; V290-Y304 HydrophobicContact CG2-CG 4.02Å; V290-A307 HydrophobicContact CB-CB 4.07Å; V290-A307 HydrophobicContact CG1-CB 3.75Å; V290-A307 HydrophobicContact CG2-CB 4.42Å
291	I	74.1	Confident	65.9	Low	92 Å²	92	99.4 Å²	99.4	47%	0.472	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	111.1	174.8	-54.3	179	0	0	0	107.6	M293 Q298 K299 V300	I291-M293 HydrophobicContact CG2-CG 4.46Å; I291-Q298 HydrophobicContact CG2-CG 3.85Å; I291-K299 WeakPolarHBondContact CA-O 3.38Å; I291-V300 HydrophobicContact CG1-CG1 4.39Å; I291-V300 HydrophobicContact CG1-CG2 4.21Å
292	D	74.5	Confident	67	Low	28 Å²	28	97 Å²	97	15%	0.15	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118	175.9	176.6	18.6	0	0	0	110.3	T294 S295 K299 Y301	D292-T294 WeakPolarHBondContact OD1-CB 3.5Å; D292-T294 PolarHBondContact OD1-N 2.94Å; D292-T294 PolarHBondContact OD1-OG1 3.44Å; D292-S295 PolarHBondContact OD2-OG 3.1Å; D292-K299 PolarHBondContact N-O 3.46Å; D292-K299 PolarHBondContact O-N 2.89Å; D292-Y301 HydrophobicContact CB-CD2 3.95Å; D292-Y301 HydrophobicContact CB-CE2 3.43Å; D292-Y301 VanDerWaalsContact CB-CE2 3.43Å
293	M	65.4	Low	68	Low	159 Å²	159	89.9 Å²	89.9	78%	0.783	46%	0.46	S	S	*	.			trans	-106.1	5	173.2	-56.5	-144.2	-43.8	0	0	113.3	I291 S295	I291-M293 HydrophobicContact CG2-CG 4.46Å; M293-S295 VanDerWaalsContact C-N 3.25Å; M293-S295 PolarHBondContact O-N 3.04Å
294	T	65.1	Low	68.6	Low	133 Å²	133	92.3 Å²	92.3	82%	0.816	46%	0.464	S	S	*	.	S	Bend	trans	-79.5	-10.9	-179.2	67.3	0	0	0	0	113	D292	D292-T294 WeakPolarHBondContact OD1-CB 3.5Å; D292-T294 PolarHBondContact OD1-N 2.94Å; D292-T294 PolarHBondContact OD1-OG1 3.44Å
295	S	60.1	Low	68.8	Low	41 Å²	41	89.2 Å²	89.2	29%	0.287	45%	0.449	S	S	.	.	S	Bend	trans	-102.8	159	178	-63.2	0	0	0	0	111.6	D292 M293 E297	D292-S295 PolarHBondContact OD2-OG 3.1Å; M293-S295 VanDerWaalsContact C-N 3.25Å; M293-S295 PolarHBondContact O-N 3.04Å; S295-E297 PolarHBondContact O-N 3.26Å
296	K	71.7	Confident	69.3	Low	223 Å²	223	86.8 Å²	86.8	97%	0.97	44%	0.442	S	S	*	.	S	Bend	trans	-60	-15.9	174.9	-70.4	-173.1	177.1	-176	0	114.4
297	E	74.2	Confident	69.5	Low	120 Å²	120	87.1 Å²	87.1	56%	0.561	45%	0.446	S	S	*	.	S	Bend	trans	-122.4	132.9	179.9	-65.2	171.2	171.2	0	0	108.7	S295 K299	S295-E297 PolarHBondContact O-N 3.26Å; E297-K299 PolarHBondContact O-N 3.03Å; E297-K299 WeakPolarHBondContact OE2-CE 3.2Å; E297-K299 IonicContact OE2-NZ 2.71Å; E297-K299 PolarHBondContact OE2-NZ 2.84Å
298	Q	74.7	Confident	69.3	Low	143 Å²	143	83.5 Å²	83.5	67%	0.668	43%	0.433	S	S	*	.			trans	-66	122	173.2	-175.3	-179.4	7.5	0	0	109.5	I291	I291-Q298 HydrophobicContact CG2-CG 3.85Å
299	K	75.2	Confident	69	Low	58 Å²	58	83 Å²	83	25%	0.252	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133	178.9	-75.2	172.1	177.9	153.1	0	109.9	I291 D292 E297 Y301	I291-K299 WeakPolarHBondContact CA-O 3.38Å; D292-K299 PolarHBondContact N-O 3.46Å; D292-K299 PolarHBondContact O-N 2.89Å; E297-K299 PolarHBondContact O-N 3.03Å; E297-K299 WeakPolarHBondContact OE2-CE 3.2Å; E297-K299 IonicContact OE2-NZ 2.71Å; E297-K299 PolarHBondContact OE2-NZ 2.84Å; K299-Y301 HydrophobicContact CB-CE2 4.19Å
300	V	79.7	Confident	67.9	Low	84 Å²	84	79.8 Å²	79.8	51%	0.509	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.4	179.3	-174.1	0	0	0	0	107.9	K289 I291	K289-V300 HydrophobicContact CB-CG1 4.07Å; K289-V300 HydrophobicContact CD-CG1 4.08Å; K289-V300 HydrophobicContact CG-CG1 4.15Å; I291-V300 HydrophobicContact CG1-CG1 4.39Å; I291-V300 HydrophobicContact CG1-CG2 4.21Å
301	Y	71.6	Confident	66.9	Low	37 Å²	37	83 Å²	83	15%	0.145	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.9	175.2	-60	-74.9	0	0	0	109.6	K289 V290 D292 K299 G303 A306 A307 R310	K289-Y301 CarbonylContact C-O 3.51Å; K289-Y301 VanDerWaalsContact CA-O 3.29Å; K289-Y301 WeakPolarHBondContact CA-O 3.44Å; V290-Y301 PolarHBondContact N-O 3.36Å; V290-Y301 PolarHBondContact O-N 3.21Å; D292-Y301 HydrophobicContact CB-CD2 3.95Å; D292-Y301 HydrophobicContact CB-CE2 3.43Å; D292-Y301 VanDerWaalsContact CB-CE2 3.43Å; K299-Y301 HydrophobicContact CB-CE2 4.19Å; Y301-G303 PolarHBondContact O-N 3.3Å; Y301-G303 VanDerWaalsContact O-N 3.09Å; Y301-A306 HydrophobicContact CD1-CB 4.26Å; Y301-A307 HydrophobicContact CD2-CB 4.16Å; Y301-A307 HydrophobicContact CG-CB 4.43Å; Y301-R310 PolarHBondContact OH-NH1 3.01Å; Y301-R310 VanDerWaalsContact OH-NH1 3.16Å
302	S	70.7	Confident	65.7	Low	97 Å²	97	83.8 Å²	83.8	68%	0.678	44%	0.444	S	S	*	.	S	Bend	trans	-84.7	40.1	-180	60.6	0	0	0	0	112.7	S286	S286-S302 CarbonylContact O-C 3.48Å
303	G	67.4	Low	64.2	Low	3 Å²	3	88.7 Å²	88.7	3%	0.031	47%	0.466	C	S	.	.	S	Bend	trans	151.8	158.7	-179.9	0	0	0	0	0	114.3	S286 V288 Y301 E305 A306 A307	S286-G303 WeakPolarHBondContact O-CA 3.37Å; V288-G303 WeakPolarHBondContact O-CA 3.39Å; V288-G303 PolarHBondContact O-N 2.73Å; V288-G303 VanDerWaalsContact O-N 3.12Å; Y301-G303 PolarHBondContact O-N 3.3Å; Y301-G303 VanDerWaalsContact O-N 3.09Å; G303-E305 VanDerWaalsContact C-N 3.28Å; G303-E305 PolarHBondContact O-N 2.92Å; G303-A306 PolarHBondContact O-N 2.74Å; G303-A307 PolarHBondContact O-N 2.64Å
304	Y	67.2	Low	63.1	Low	91 Å²	91	90 Å²	90	36%	0.357	46%	0.463	S	S	.	.	H	α-helix	trans	-63.1	-32.9	173.2	-78.1	-76.3	0	0	0	113.1	P269 L285 V288 V290 A307 L308	P269-Y304 HydrophobicContact CB-CG 4.41Å; P269-Y304 HydrophobicContact CG-CD1 3.98Å; P269-Y304 HydrophobicContact CG-CG 4.31Å; L285-Y304 HydrophobicContact CB-CD2 4.34Å; L285-Y304 HydrophobicContact CD2-CE2 4.4Å; L285-Y304 WeakPolarHBondContact O-CD2 3.36Å; V288-Y304 HydrophobicContact CB-CD2 4.48Å; V288-Y304 HydrophobicContact CB-CE2 4.14Å; V288-Y304 HydrophobicContact CG1-CE2 4.21Å; V288-Y304 HydrophobicContact CG2-CE2 4.47Å; V290-Y304 HydrophobicContact CG2-CD1 3.88Å; V290-Y304 HydrophobicContact CG2-CD2 4.32Å; V290-Y304 HydrophobicContact CG2-CE1 4.04Å; V290-Y304 HydrophobicContact CG2-CE2 4.47Å; V290-Y304 HydrophobicContact CG2-CG 4.02Å; Y304-A307 PolarHBondContact O-N 2.73Å; Y304-L308 WeakPolarHBondContact O-CG 3.35Å; Y304-L308 PolarHBondContact O-N 3.06Å
305	E	60.8	Low	61.9	Low	68 Å²	68	93.2 Å²	93.2	32%	0.318	46%	0.46	S	S	.	.	H	α-helix	trans	-61.2	-47.5	176.1	-174.6	-179.9	-175.8	0	0	111.1	L280 G303 A307 L308 S309	L280-E305 HydrophobicContact CD2-CB 4.34Å; G303-E305 VanDerWaalsContact C-N 3.28Å; G303-E305 PolarHBondContact O-N 2.92Å; E305-A307 VanDerWaalsContact C-N 3.28Å; E305-A307 PolarHBondContact O-N 3.33Å; E305-L308 PolarHBondContact O-N 3.38Å; E305-S309 VanDerWaalsContact O-CB 3.23Å; E305-S309 WeakPolarHBondContact O-CB 3.48Å; E305-S309 PolarHBondContact O-N 3.3Å
306	A	64.7	Low	60.7	Low	39 Å²	39	101.7 Å²	101.7	32%	0.322	49%	0.486	S	S	.	.	H	α-helix	trans	-63.3	-34.1	176.6	0	0	0	0	0	112.4	Y301 G303	Y301-A306 HydrophobicContact CD1-CB 4.26Å; G303-A306 PolarHBondContact O-N 2.74Å
307	A	65.5	Low	59.2	Low	26 Å²	26	99.8 Å²	99.8	22%	0.215	48%	0.477	C	S	.	.	H	α-helix	trans	-69.6	-40.9	175	0	0	0	0	0	112.7	V290 Y301 G303 Y304 E305	V290-A307 HydrophobicContact CB-CB 4.07Å; V290-A307 HydrophobicContact CG1-CB 3.75Å; V290-A307 HydrophobicContact CG2-CB 4.42Å; Y301-A307 HydrophobicContact CD2-CB 4.16Å; Y301-A307 HydrophobicContact CG-CB 4.43Å; G303-A307 PolarHBondContact O-N 2.64Å; Y304-A307 PolarHBondContact O-N 2.73Å; E305-A307 VanDerWaalsContact C-N 3.28Å; E305-A307 PolarHBondContact O-N 3.33Å
308	L	59.9	Low	57.6	Low	62 Å²	62	100.2 Å²	100.2	33%	0.325	49%	0.49	S	S	.	.	H	α-helix	trans	-80.3	-35.4	-179.1	-73.4	-173.9	0	0	0	113.9	P269 Y304 E305 R310 V311	P269-L308 HydrophobicContact CB-CD1 3.53Å; P269-L308 HydrophobicContact CB-CG 4.46Å; P269-L308 HydrophobicContact CG-CD1 3.81Å; P269-L308 HydrophobicContact CG-CG 4.43Å; Y304-L308 WeakPolarHBondContact O-CG 3.35Å; Y304-L308 PolarHBondContact O-N 3.06Å; E305-L308 PolarHBondContact O-N 3.38Å; L308-R310 PolarHBondContact O-N 2.99Å; L308-V311 WeakPolarHBondContact O-CB 3.5Å; L308-V311 PolarHBondContact O-N 3.47Å
309	S	59.3	Low	56	Low	51 Å²	51	96.6 Å²	96.6	36%	0.357	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-24.8	-175.3	-166.4	0	0	0	0	112.1	E305 V312 Q313	E305-S309 VanDerWaalsContact O-CB 3.23Å; E305-S309 WeakPolarHBondContact O-CB 3.48Å; E305-S309 PolarHBondContact O-N 3.3Å; S309-V312 WeakPolarHBondContact O-CB 3.42Å; S309-V312 PolarHBondContact O-N 2.87Å; S309-Q313 PolarHBondContact O-N 2.9Å
310	R	51.3	Low	54.2	Low	92 Å²	92	100.8 Å²	100.8	35%	0.347	52%	0.517	S	S	.	.	H	α-helix	trans	-72.4	-28.3	174.4	-149.1	179.3	-166.1	164.3	8.8	114.3	Y301 L308 V312 Q313 R314	Y301-R310 PolarHBondContact OH-NH1 3.01Å; Y301-R310 VanDerWaalsContact OH-NH1 3.16Å; L308-R310 PolarHBondContact O-N 2.99Å; R310-V312 PolarHBondContact O-N 3.23Å; R310-Q313 PolarHBondContact O-N 2.96Å; R310-R314 PolarHBondContact O-N 3.47Å
311	V	52.2	Low	52.2	Low	95 Å²	95	104.6 Å²	104.6	58%	0.576	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-32.7	171.4	-178.8	0	0	0	0	109.8	L308	L308-V311 WeakPolarHBondContact O-CB 3.5Å; L308-V311 PolarHBondContact O-N 3.47Å
312	V	47.5	Very low	50.7	Low	110 Å²	110	107.9 Å²	107.9	67%	0.667	56%	0.563	S	S	*	*	H	α-helix	trans	-74.6	-43.7	174.3	-175.4	0	0	0	0	111.2	S309 R310 R315	S309-V312 WeakPolarHBondContact O-CB 3.42Å; S309-V312 PolarHBondContact O-N 2.87Å; R310-V312 PolarHBondContact O-N 3.23Å; V312-R315 PolarHBondContact O-N 3.34Å
313	Q	45	Very low	49.1	Very low	131 Å²	131	108.9 Å²	108.9	61%	0.612	57%	0.565	S	S	*	*	H	α-helix	trans	-73.9	-34.7	-175.7	-75.5	175.7	-21.6	0	0	114.7	S309 R310 R315 R316	S309-Q313 PolarHBondContact O-N 2.9Å; R310-Q313 PolarHBondContact O-N 2.96Å; Q313-R315 PolarHBondContact O-N 2.98Å; Q313-R316 PolarHBondContact O-N 3.14Å; Q313-R316 VanDerWaalsContact O-N 3.11Å
314	R	40.9	Very low	47.5	Very low	187 Å²	187	116.1 Å²	116.1	71%	0.706	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-9.9	177.9	-83.7	-155.8	-175.8	-157.7	5	113.9	R310	R310-R314 PolarHBondContact O-N 3.47Å
315	R	39.4	Very low	46.2	Very low	199 Å²	199	116.2 Å²	116.2	75%	0.751	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-7.1	175.6	-67.9	-166.7	176.5	-175.5	0.6	114.2	V312 Q313 K317	V312-R315 PolarHBondContact O-N 3.34Å; Q313-R315 PolarHBondContact O-N 2.98Å; R315-K317 PolarHBondContact O-N 2.95Å
316	R	36.7	Very low	45.3	Very low	220 Å²	220	120.1 Å²	120.1	83%	0.83	64%	0.639	S	S	*	*	S	Bend	trans	-84.9	87.1	164	-69.3	-170.5	175.4	178.2	-1.5	108	Q313 P318	Q313-R316 PolarHBondContact O-N 3.14Å; Q313-R316 VanDerWaalsContact O-N 3.11Å; R316-P318 WeakPolarHBondContact O-CD 3.45Å
317	K	39.6	Very low	44.3	Very low	182 Å²	182	126.7 Å²	126.7	79%	0.791	66%	0.663	S	S	*	*			trans	-62.1	121.3	167.9	-163.4	177.7	-178.3	-173.1	0	106.9	R315 G319	R315-K317 PolarHBondContact O-N 2.95Å; K317-G319 PolarHBondContact O-N 3.44Å; K317-G319 VanDerWaalsContact O-N 3.13Å
318	P	41	Very low	43.2	Very low	129 Å²	129	131.8 Å²	131.8	84%	0.838	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	105	-179.5	19.1	-11.8	0	0	0	107.4	R316	R316-P318 WeakPolarHBondContact O-CD 3.45Å
319	G	41.5	Very low	42.4	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	169.6	-35.2	179.8	0	0	0	0	0	114.2	K317 N321	K317-G319 PolarHBondContact O-N 3.44Å; K317-G319 VanDerWaalsContact O-N 3.13Å; G319-N321 PolarHBondContact O-N 3.1Å
320	D	37.2	Very low	42	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	72%	0.716	S	S	*	*			trans	-96.6	79.8	178.5	-70.9	-28.8	0	0	0	110.5	S322	D320-S322 PolarHBondContact O-N 3.03Å
321	N	37.3	Very low	42.3	Very low	165 Å²	165	138 Å²	138	88%	0.882	73%	0.725	S	S	*	*			trans	-80.3	49.3	161.7	-103.9	8.5	0	0	0	109.4	G319 T323	G319-N321 PolarHBondContact O-N 3.1Å; N321-T323 VanDerWaalsContact C-N 3.29Å; N321-T323 PolarHBondContact O-N 3.23Å
322	S	40.3	Very low	42.5	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	72%	0.716	S	S	*	*			trans	-77.8	93.3	165.7	60.3	0	0	0	0	107.4	D320 L324	D320-S322 PolarHBondContact O-N 3.03Å; S322-L324 PolarHBondContact O-N 2.58Å
323	T	36.1	Very low	42.6	Very low	117 Å²	117	135.6 Å²	135.6	72%	0.718	71%	0.705	S	S	*	*			trans	-30.2	121.6	165.2	-49.6	0	0	0	0	112.5	N321 S325	N321-T323 VanDerWaalsContact C-N 3.29Å; N321-T323 PolarHBondContact O-N 3.23Å; T323-S325 PolarHBondContact O-N 3.26Å; T323-S325 VanDerWaalsContact O-N 3.11Å
324	L	33.8	Very low	42.9	Very low	155 Å²	155	130.9 Å²	130.9	81%	0.812	69%	0.692	S	S	*	*			trans	-5.4	98	145.1	-67	140.3	0	0	0	113.6	S322	S322-L324 PolarHBondContact O-N 2.58Å
325	S	41.1	Very low	43.4	Very low	94 Å²	94	127.4 Å²	127.4	66%	0.657	68%	0.682	S	S	*	*			trans	-124.5	114.2	157.2	54.6	0	0	0	0	106.6	T323 E327	T323-S325 PolarHBondContact O-N 3.26Å; T323-S325 VanDerWaalsContact O-N 3.11Å; S325-E327 PolarHBondContact O-N 2.74Å
326	D	40.4	Very low	44.1	Very low	150 Å²	150	124.4 Å²	124.4	80%	0.802	67%	0.67	S	S	*	*	S	Bend	trans	-72.2	38.3	-163.8	-63.7	-53.9	0	0	0	114.9
327	E	43.7	Very low	44.8	Very low	176 Å²	176	117.7 Å²	117.7	82%	0.822	65%	0.65	S	S	*	*			trans	-127	52.2	-175.8	-61.8	-82.9	164.4	0	0	109.1	S325	S325-E327 PolarHBondContact O-N 2.74Å
328	E	43.2	Very low	45.3	Very low	134 Å²	134	114.5 Å²	114.5	63%	0.626	64%	0.638	S	S	*	*			trans	-97.3	97.8	170.5	-71.5	-169.9	-175.5	0	0	108.6	I332	E328-I332 HydrophobicContact CB-CD1 4.45Å
329	D	43.6	Very low	45.8	Very low	118 Å²	118	116 Å²	116	63%	0.631	63%	0.631	S	S	*	*			trans	-40.3	134.9	173.3	-75.8	-59.4	0	0	0	111.6	D331 I332	D329-D331 PolarHBondContact O-N 3.09Å; D329-I332 PolarHBondContact O-N 3.38Å
330	P	50.8	Low	46.3	Very low	117 Å²	117	120.5 Å²	120.5	76%	0.76	63%	0.627	S	S	*	*	H	α-helix	trans	-57	-16.4	-178.4	22.8	-33.4	0	0	0	113.4	I332 D333 G334	P330-I332 VanDerWaalsContact C-N 3.28Å; P330-I332 PolarHBondContact O-N 3.22Å; P330-D333 PolarHBondContact O-N 2.83Å; P330-G334 PolarHBondContact O-N 2.93Å
331	D	56.8	Low	46.9	Very low	99 Å²	99	120.1 Å²	120.1	53%	0.529	62%	0.624	S	S	.	*	H	α-helix	trans	-66.9	-24.7	175.6	-153.9	48.9	0	0	0	113.2	D329 K335	D329-D331 PolarHBondContact O-N 3.09Å; D331-K335 WeakPolarHBondContact O-CB 3.28Å; D331-K335 WeakPolarHBondContact O-CG 3.45Å; D331-K335 PolarHBondContact O-N 3.46Å; D331-K335 IonicContact OD2-NZ 2.99Å; D331-K335 PolarHBondContact OD2-NZ 3.37Å
332	I	56.2	Low	47.4	Very low	73 Å²	73	118.3 Å²	118.3	37%	0.374	61%	0.611	S	S	.	*	H	α-helix	trans	-72.9	-36.9	174.3	-60.4	178.1	0	0	0	110.9	E328 D329 P330 K335 R336	E328-I332 HydrophobicContact CB-CD1 4.45Å; D329-I332 PolarHBondContact O-N 3.38Å; P330-I332 VanDerWaalsContact C-N 3.28Å; P330-I332 PolarHBondContact O-N 3.22Å; I332-K335 CarbonylContact O-C 3.56Å; I332-K335 PolarHBondContact O-N 2.95Å; I332-R336 WeakPolarHBondContact O-CB 3.41Å; I332-R336 PolarHBondContact O-N 2.67Å
333	D	50.3	Low	47.9	Very low	82 Å²	82	114.3 Å²	114.3	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-72.3	-36.9	178.2	-154.7	43.6	0	0	0	110.9	P330 K335 R336 I337	P330-D333 PolarHBondContact O-N 2.83Å; D333-K335 PolarHBondContact O-N 3.47Å; D333-R336 CarbonylContact O-C 3.6Å; D333-R336 PolarHBondContact O-N 3.32Å; D333-R336 VanDerWaalsContact O-N 3.13Å; D333-I337 VanDerWaalsContact O-CG1 3.24Å; D333-I337 WeakPolarHBondContact O-CG1 3.25Å; D333-I337 PolarHBondContact O-N 3.17Å
334	G	51.7	Low	48.5	Very low	33 Å²	33	114.8 Å²	114.8	34%	0.34	59%	0.585	S	S	.	*	H	α-helix	trans	-53.4	-52.3	166	0	0	0	0	0	112	P330 R336 I337 E338	P330-G334 PolarHBondContact O-N 2.93Å; G334-R336 VanDerWaalsContact C-N 3.32Å; G334-R336 PolarHBondContact O-N 3.35Å; G334-I337 PolarHBondContact O-N 2.79Å; G334-E338 WeakPolarHBondContact O-CB 3.45Å; G334-E338 WeakPolarHBondContact O-CG 3.31Å; G334-E338 PolarHBondContact O-N 3.43Å
335	K	51.5	Low	49.4	Very low	114 Å²	114	116.2 Å²	116.2	50%	0.496	59%	0.585	S	S	.	*	H	α-helix	trans	-63.4	-30.4	174.8	-78	168.1	176.7	137	0	113.9	D331 I332 D333 K339	D331-K335 WeakPolarHBondContact O-CB 3.28Å; D331-K335 WeakPolarHBondContact O-CG 3.45Å; D331-K335 PolarHBondContact O-N 3.46Å; D331-K335 IonicContact OD2-NZ 2.99Å; D331-K335 PolarHBondContact OD2-NZ 3.37Å; I332-K335 CarbonylContact O-C 3.56Å; I332-K335 PolarHBondContact O-N 2.95Å; D333-K335 PolarHBondContact O-N 3.47Å; K335-K339 WeakPolarHBondContact O-CB 3.39Å; K335-K339 PolarHBondContact O-N 2.96Å
336	R	53.8	Low	50.1	Low	135 Å²	135	119.9 Å²	119.9	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-73.4	-37.9	174.6	-88.7	-177.1	174.2	-176.5	6	111.6	I332 D333 G334 K339 R340	I332-R336 WeakPolarHBondContact O-CB 3.41Å; I332-R336 PolarHBondContact O-N 2.67Å; D333-R336 CarbonylContact O-C 3.6Å; D333-R336 PolarHBondContact O-N 3.32Å; D333-R336 VanDerWaalsContact O-N 3.13Å; G334-R336 VanDerWaalsContact C-N 3.32Å; G334-R336 PolarHBondContact O-N 3.35Å; R336-K339 PolarHBondContact O-N 3.48Å; R336-R340 WeakPolarHBondContact O-CB 3.43Å; R336-R340 VanDerWaalsContact O-CG 3.26Å; R336-R340 WeakPolarHBondContact O-CG 3.44Å; R336-R340 PolarHBondContact O-N 2.74Å
337	I	51	Low	50.9	Low	79 Å²	79	117 Å²	117	41%	0.405	57%	0.574	S	S	.	*	H	α-helix	trans	-68.4	-43.6	174.4	-65.9	162.8	0	0	0	109.4	D333 G334 R340 L341	D333-I337 VanDerWaalsContact O-CG1 3.24Å; D333-I337 WeakPolarHBondContact O-CG1 3.25Å; D333-I337 PolarHBondContact O-N 3.17Å; G334-I337 PolarHBondContact O-N 2.79Å; I337-R340 WeakPolarHBondContact O-CB 3.48Å; I337-R340 PolarHBondContact O-N 3.38Å; I337-R340 VanDerWaalsContact O-N 3.12Å; I337-L341 HydrophobicContact CG2-CD1 4.09Å; I337-L341 PolarHBondContact O-N 3.49Å
338	E	50.7	Low	52.4	Low	115 Å²	115	111.1 Å²	111.1	54%	0.537	55%	0.551	S	S	.	*	H	α-helix	trans	-57.6	-50.5	170.4	-76.5	-178	161.3	0	0	110.4	G334 R340 L341 E342	G334-E338 WeakPolarHBondContact O-CB 3.45Å; G334-E338 WeakPolarHBondContact O-CG 3.31Å; G334-E338 PolarHBondContact O-N 3.43Å; E338-R340 VanDerWaalsContact C-N 3.26Å; E338-R340 PolarHBondContact O-N 3.17Å; E338-L341 CarbonylContact O-C 3.47Å; E338-L341 WeakPolarHBondContact O-CA 3.47Å; E338-L341 PolarHBondContact O-N 3.2Å; E338-E342 WeakPolarHBondContact O-CB 3.45Å; E338-E342 WeakPolarHBondContact O-CG 3.33Å; E338-E342 PolarHBondContact O-N 3.43Å
339	K	50.5	Low	54.3	Low	160 Å²	160	109 Å²	109	70%	0.696	55%	0.549	S	S	*	.	H	α-helix	trans	-61.6	-28.7	174.1	-94.4	-178.5	176.3	171.3	0	114.7	K335 R336 L341 G343	K335-K339 WeakPolarHBondContact O-CB 3.39Å; K335-K339 PolarHBondContact O-N 2.96Å; R336-K339 PolarHBondContact O-N 3.48Å; K339-L341 VanDerWaalsContact C-N 3.31Å; K339-G343 PolarHBondContact O-N 3.24Å
340	R	52	Low	56.1	Low	163 Å²	163	106.3 Å²	106.3	62%	0.615	54%	0.544	S	S	*	.	H	α-helix	trans	-69.1	-31.6	172.6	-80.2	170.2	178.2	148.8	-0.2	111.1	R336 I337 E338	R336-R340 WeakPolarHBondContact O-CB 3.43Å; R336-R340 VanDerWaalsContact O-CG 3.26Å; R336-R340 WeakPolarHBondContact O-CG 3.44Å; R336-R340 PolarHBondContact O-N 2.74Å; I337-R340 WeakPolarHBondContact O-CB 3.48Å; I337-R340 PolarHBondContact O-N 3.38Å; I337-R340 VanDerWaalsContact O-N 3.12Å; E338-R340 VanDerWaalsContact C-N 3.26Å; E338-R340 PolarHBondContact O-N 3.17Å
341	L	50.1	Low	57.7	Low	137 Å²	137	104.3 Å²	104.3	72%	0.717	53%	0.526	S	S	*	.	H	α-helix	trans	-89.4	-34.3	178.5	-80.3	158.4	0	0	0	113.4	I337 E338 K339 G343	I337-L341 HydrophobicContact CG2-CD1 4.09Å; I337-L341 PolarHBondContact O-N 3.49Å; E338-L341 CarbonylContact O-C 3.47Å; E338-L341 WeakPolarHBondContact O-CA 3.47Å; E338-L341 PolarHBondContact O-N 3.2Å; K339-L341 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 3Å; L341-G343 VanDerWaalsContact O-N 3.16Å
342	E	48.8	Very low	58.9	Low	127 Å²	127	107.7 Å²	107.7	59%	0.593	53%	0.531	S	S	*	.			trans	-68.6	-4	171.8	-71.6	-176	161.7	0	0	112.6	E338 N344	E338-E342 WeakPolarHBondContact O-CB 3.45Å; E338-E342 WeakPolarHBondContact O-CG 3.33Å; E338-E342 PolarHBondContact O-N 3.43Å; E342-N344 PolarHBondContact O-N 2.95Å; E342-N344 PolarHBondContact O-OD1 3.01Å
343	G	50.4	Low	60.4	Low	23 Å²	23	109.4 Å²	109.4	24%	0.237	54%	0.537	C	S	.	.			trans	-60.1	92.6	156.4	0	0	0	0	0	108.2	K339 L341 F345	K339-G343 PolarHBondContact O-N 3.24Å; L341-G343 PolarHBondContact O-N 3Å; L341-G343 VanDerWaalsContact O-N 3.16Å; G343-F345 PolarHBondContact O-N 2.88Å
344	N	49	Very low	62.1	Low	127 Å²	127	109.4 Å²	109.4	68%	0.679	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-55.7	21	172.4	-69.8	14.5	0	0	0	114	E342 F346	E342-N344 PolarHBondContact O-N 2.95Å; E342-N344 PolarHBondContact O-OD1 3.01Å; N344-F346 PolarHBondContact O-N 3.48Å; N344-F346 VanDerWaalsContact O-N 3.12Å
345	F	52.6	Low	64	Low	185 Å²	185	113.5 Å²	113.5	81%	0.811	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-63.3	-14.1	177.8	-62.6	-72.6	0	0	0	112.7	G343	G343-F345 PolarHBondContact O-N 2.88Å
346	F	55.9	Low	65.9	Low	170 Å²	170	110.6 Å²	110.6	75%	0.746	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-143.4	44.2	178.4	-134.6	-93	0	0	0	112.7	N344 C348	N344-F346 PolarHBondContact O-N 3.48Å; N344-F346 VanDerWaalsContact O-N 3.12Å; F346-C348 PolarHBondContact O-N 3.44Å
347	D	56.4	Low	67.8	Low	91 Å²	91	108.2 Å²	108.2	49%	0.487	54%	0.541	S	S	.	.			trans	-73.1	96.2	170.4	-159.2	11.2	0	0	0	108.9	P349 R352	D347-P349 WeakPolarHBondContact O-CD 3.29Å; D347-R352 IonicContact OD1-NH1 3.21Å
348	C	75.4	Confident	69.9	Low	52 Å²	52	109.5 Å²	109.5	35%	0.351	55%	0.547	S	S	.	.			trans	-115.4	87.3	176.6	-161.6	0	0	0	0	108.2	F346 A350 L351 R352	F346-C348 PolarHBondContact O-N 3.44Å; C348-A350 PolarHBondContact O-N 2.97Å; C348-A350 VanDerWaalsContact O-N 3.15Å; C348-L351 HydrophobicContact CB-CB 4.04Å; C348-L351 PolarHBondContact O-N 3.27Å; C348-R352 PolarHBondContact O-N 3.49Å
349	P	82.8	Confident	72	Confident	88 Å²	88	109.6 Å²	109.6	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-54.4	-37	-174.3	-27.9	34.4	0	0	0	113.1	D347 R352 H353	D347-P349 WeakPolarHBondContact O-CD 3.29Å; P349-R352 PolarHBondContact O-N 2.87Å; P349-H353 WeakPolarHBondContact O-CB 3.36Å; P349-H353 PolarHBondContact O-N 3.39Å
350	A	82.1	Confident	74	Confident	63 Å²	63	109.9 Å²	109.9	52%	0.521	55%	0.546	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.5	0	0	0	0	0	112.5	C348 H353 N354	C348-A350 PolarHBondContact O-N 2.97Å; C348-A350 VanDerWaalsContact O-N 3.15Å; A350-H353 PolarHBondContact O-N 3.4Å; A350-N354 PolarHBondContact O-N 3.49Å; A350-N354 PolarHBondContact O-OD1 2.89Å
351	L	83.6	Confident	76.1	Confident	75 Å²	75	104.7 Å²	104.7	39%	0.393	53%	0.534	S	S	.	.	H	α-helix	trans	-69.8	-39.7	177.8	-173.6	64.7	0	0	0	111.1	C348 H353 N354 F355	C348-L351 HydrophobicContact CB-CB 4.04Å; C348-L351 PolarHBondContact O-N 3.27Å; L351-H353 VanDerWaalsContact C-N 3.35Å; L351-H353 PolarHBondContact O-N 2.96Å; L351-N354 PolarHBondContact O-N 2.92Å; L351-F355 HydrophobicContact CD1-CD2 4.19Å; L351-F355 HydrophobicContact CD1-CE2 3.73Å; L351-F355 HydrophobicContact CD1-CZ 4.29Å; L351-F355 HydrophobicContact CD2-CE2 3.88Å; L351-F355 HydrophobicContact CG-CD2 3.83Å; L351-F355 HydrophobicContact CG-CE2 3.5Å; L351-F355 VanDerWaalsContact CG-CE2 3.5Å; L351-F355 HydrophobicContact CG-CZ 4.48Å; L351-F355 WeakPolarHBondContact O-CD2 3.42Å; L351-F355 PolarHBondContact O-N 2.67Å
352	R	83.3	Confident	78.2	Confident	169 Å²	169	100 Å²	100	64%	0.638	52%	0.516	S	S	*	.	H	α-helix	trans	-61.4	-42.7	174	-65.6	-177.5	71.3	-149.3	-0.2	111.7	D347 C348 P349 F355 A356	D347-R352 IonicContact OD1-NH1 3.21Å; C348-R352 PolarHBondContact O-N 3.49Å; P349-R352 PolarHBondContact O-N 2.87Å; R352-F355 PolarHBondContact O-N 3.41Å; R352-A356 WeakPolarHBondContact O-CB 3.31Å; R352-A356 PolarHBondContact O-N 2.93Å
353	H	86.2	Confident	80.5	Confident	109 Å²	109	98.6 Å²	98.6	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-45.5	173.9	175.2	-96.4	0	0	0	111.8	P349 A350 L351 F355 A356 L357	P349-H353 WeakPolarHBondContact O-CB 3.36Å; P349-H353 PolarHBondContact O-N 3.39Å; A350-H353 PolarHBondContact O-N 3.4Å; L351-H353 VanDerWaalsContact C-N 3.35Å; L351-H353 PolarHBondContact O-N 2.96Å; H353-F355 PolarHBondContact O-N 3.47Å; H353-A356 WeakPolarHBondContact O-CB 3.37Å; H353-A356 PolarHBondContact O-N 3.01Å; H353-L357 WeakPolarHBondContact CE1-CD1 3.33Å; H353-L357 WeakPolarHBondContact O-CG 3.46Å; H353-L357 PolarHBondContact O-N 3.06Å
354	N	87.2	Confident	82.5	Confident	82 Å²	82	100.3 Å²	100.3	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-41.7	177.1	-69.9	-10.5	0	0	0	112.2	A350 L351 L357 I358	A350-N354 PolarHBondContact O-N 3.49Å; A350-N354 PolarHBondContact O-OD1 2.89Å; L351-N354 PolarHBondContact O-N 2.92Å; N354-L357 PolarHBondContact O-N 3.29Å; N354-I358 VanDerWaalsContact O-CG1 3.31Å; N354-I358 WeakPolarHBondContact O-CG1 3.19Å; N354-I358 PolarHBondContact O-N 3.39Å
355	F	91.3	Very high	84.8	Confident	119 Å²	119	99.4 Å²	99.4	52%	0.522	50%	0.504	S	S	.	.	H	α-helix	trans	-63.1	-43.4	172.5	-78.3	-58.4	0	0	0	111.9	L351 R352 H353 L357 I358 M359	L351-F355 HydrophobicContact CD1-CD2 4.19Å; L351-F355 HydrophobicContact CD1-CE2 3.73Å; L351-F355 HydrophobicContact CD1-CZ 4.29Å; L351-F355 HydrophobicContact CD2-CE2 3.88Å; L351-F355 HydrophobicContact CG-CD2 3.83Å; L351-F355 HydrophobicContact CG-CE2 3.5Å; L351-F355 VanDerWaalsContact CG-CE2 3.5Å; L351-F355 HydrophobicContact CG-CZ 4.48Å; L351-F355 WeakPolarHBondContact O-CD2 3.42Å; L351-F355 PolarHBondContact O-N 2.67Å; R352-F355 PolarHBondContact O-N 3.41Å; H353-F355 PolarHBondContact O-N 3.47Å; F355-L357 VanDerWaalsContact C-N 3.29Å; F355-L357 PolarHBondContact O-N 3.19Å; F355-I358 PolarHBondContact O-N 3.08Å; F355-M359 WeakPolarHBondContact O-CB 3.49Å; F355-M359 VanDerWaalsContact O-CG 3.3Å; F355-M359 WeakPolarHBondContact O-CG 3.31Å; F355-M359 PolarHBondContact O-N 3.3Å
356	A	90.8	Very high	86.8	Confident	54 Å²	54	96.1 Å²	96.1	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-60.6	-39.1	175.7	0	0	0	0	0	112	R352 H353 R360	R352-A356 WeakPolarHBondContact O-CB 3.31Å; R352-A356 PolarHBondContact O-N 2.93Å; H353-A356 WeakPolarHBondContact O-CB 3.37Å; H353-A356 PolarHBondContact O-N 3.01Å; A356-R360 VanDerWaalsContact O-CB 3.29Å; A356-R360 WeakPolarHBondContact O-CB 3.49Å; A356-R360 PolarHBondContact O-N 3.25Å
357	L	93.4	Very high	88.7	Confident	85 Å²	85	93.1 Å²	93.1	45%	0.445	48%	0.481	S	S	.	.	H	α-helix	trans	-63.4	-47.1	173.9	-73.6	-179.3	0	0	0	112.1	H353 N354 F355 R360 S361	H353-L357 WeakPolarHBondContact CE1-CD1 3.33Å; H353-L357 WeakPolarHBondContact O-CG 3.46Å; H353-L357 PolarHBondContact O-N 3.06Å; N354-L357 PolarHBondContact O-N 3.29Å; F355-L357 VanDerWaalsContact C-N 3.29Å; F355-L357 PolarHBondContact O-N 3.19Å; L357-R360 PolarHBondContact O-N 3.15Å; L357-S361 PolarHBondContact O-N 3.12Å; L357-S361 PolarHBondContact O-OG 2.9Å
358	I	94.5	Very high	90.6	Very high	105 Å²	105	96.2 Å²	96.2	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-64.8	-41	179	-67.3	165.5	0	0	0	110.9	N354 F355 S361 A362	N354-I358 VanDerWaalsContact O-CG1 3.31Å; N354-I358 WeakPolarHBondContact O-CG1 3.19Å; N354-I358 PolarHBondContact O-N 3.39Å; F355-I358 PolarHBondContact O-N 3.08Å; I358-S361 WeakPolarHBondContact CA-OG 3.31Å; I358-S361 PolarHBondContact O-N 3.13Å; I358-S361 PolarHBondContact O-OG 3.26Å; I358-A362 VanDerWaalsContact O-CB 3.31Å; I358-A362 WeakPolarHBondContact O-CB 3.47Å; I358-A362 PolarHBondContact O-N 3.48Å
359	M	94.9	Very high	91.5	Very high	117 Å²	117	100.6 Å²	100.6	58%	0.576	50%	0.499	S	S	*	.	H	α-helix	trans	-63.5	-46.5	175.6	-70.3	-152.7	-50.2	0	0	110.8	F355 S361 A362 E363	F355-M359 WeakPolarHBondContact O-CB 3.49Å; F355-M359 VanDerWaalsContact O-CG 3.3Å; F355-M359 WeakPolarHBondContact O-CG 3.31Å; F355-M359 PolarHBondContact O-N 3.3Å; M359-S361 VanDerWaalsContact C-N 3.35Å; M359-S361 PolarHBondContact O-N 2.92Å; M359-A362 PolarHBondContact O-N 3.43Å; M359-E363 WeakPolarHBondContact O-CB 3.34Å; M359-E363 WeakPolarHBondContact O-CG 3.43Å; M359-E363 PolarHBondContact O-N 3.01Å
360	R	94.2	Very high	92.2	Very high	167 Å²	167	99.6 Å²	99.6	63%	0.63	49%	0.489	S	S	*	.	H	α-helix	trans	-60.8	-42.5	176.2	-174.5	178	178.8	172.5	2.8	112.1	A356 L357 E363 D364	A356-R360 VanDerWaalsContact O-CB 3.29Å; A356-R360 WeakPolarHBondContact O-CB 3.49Å; A356-R360 PolarHBondContact O-N 3.25Å; L357-R360 PolarHBondContact O-N 3.15Å; R360-E363 PolarHBondContact O-N 3.09Å; R360-D364 WeakPolarHBondContact O-CB 3.26Å; R360-D364 VanDerWaalsContact O-CG 3.25Å; R360-D364 PolarHBondContact O-N 3.4Å
361	S	94.7	Very high	92.8	Very high	54 Å²	54	104.1 Å²	104.1	38%	0.378	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.8	63.1	0	0	0	0	111.9	L357 I358 M359 D364 E365	L357-S361 PolarHBondContact O-N 3.12Å; L357-S361 PolarHBondContact O-OG 2.9Å; I358-S361 WeakPolarHBondContact CA-OG 3.31Å; I358-S361 PolarHBondContact O-N 3.13Å; I358-S361 PolarHBondContact O-OG 3.26Å; M359-S361 VanDerWaalsContact C-N 3.35Å; M359-S361 PolarHBondContact O-N 2.92Å; S361-D364 PolarHBondContact O-N 2.86Å; S361-E365 WeakPolarHBondContact O-CG 3.48Å; S361-E365 PolarHBondContact O-N 3.28Å
362	A	94.8	Very high	93.4	Very high	39 Å²	39	103.2 Å²	103.2	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-66.2	-41.1	176.1	0	0	0	0	0	111.8	I358 M359 D364 E365 I366	I358-A362 VanDerWaalsContact O-CB 3.31Å; I358-A362 WeakPolarHBondContact O-CB 3.47Å; I358-A362 PolarHBondContact O-N 3.48Å; M359-A362 PolarHBondContact O-N 3.43Å; A362-D364 VanDerWaalsContact C-N 3.34Å; A362-D364 PolarHBondContact O-N 3.49Å; A362-E365 PolarHBondContact O-N 2.96Å; A362-I366 WeakPolarHBondContact O-CB 3.26Å; A362-I366 WeakPolarHBondContact O-CD1 3.28Å; A362-I366 WeakPolarHBondContact O-CG1 3.24Å; A362-I366 PolarHBondContact O-N 3.43Å
363	E	96	Very high	94	Very high	97 Å²	97	97.4 Å²	97.4	45%	0.453	48%	0.483	S	S	.	.	H	α-helix	trans	-60.8	-42.6	172.6	-75.2	175.2	-161.1	0	0	111.9	M359 R360 I366 K367	M359-E363 WeakPolarHBondContact O-CB 3.34Å; M359-E363 WeakPolarHBondContact O-CG 3.43Å; M359-E363 PolarHBondContact O-N 3.01Å; R360-E363 PolarHBondContact O-N 3.09Å; E363-I366 PolarHBondContact O-N 3.41Å; E363-K367 WeakPolarHBondContact O-CB 3.28Å; E363-K367 VanDerWaalsContact O-CG 3.24Å; E363-K367 WeakPolarHBondContact O-CG 3.47Å; E363-K367 PolarHBondContact O-N 3.21Å
364	D	94.3	Very high	94.5	Very high	59 Å²	59	98.6 Å²	98.6	32%	0.316	48%	0.483	S	S	.	.	H	α-helix	trans	-66.6	-37.7	177.4	-73.8	-22.1	0	0	0	111.7	R360 S361 A362 R368	R360-D364 WeakPolarHBondContact O-CB 3.26Å; R360-D364 VanDerWaalsContact O-CG 3.25Å; R360-D364 PolarHBondContact O-N 3.4Å; S361-D364 PolarHBondContact O-N 2.86Å; A362-D364 VanDerWaalsContact C-N 3.34Å; A362-D364 PolarHBondContact O-N 3.49Å; D364-R368 WeakPolarHBondContact O-CB 3.39Å; D364-R368 WeakPolarHBondContact O-CG 3.07Å; D364-R368 PolarHBondContact O-N 2.95Å
365	E	96.6	Very high	94.9	Very high	108 Å²	108	101.2 Å²	101.2	51%	0.505	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-47.4	171.6	-77.5	176.8	-170.2	0	0	111.8	S361 A362 K367 R368 F369	S361-E365 WeakPolarHBondContact O-CG 3.48Å; S361-E365 PolarHBondContact O-N 3.28Å; A362-E365 PolarHBondContact O-N 2.96Å; E365-K367 VanDerWaalsContact C-N 3.33Å; E365-K367 PolarHBondContact O-N 3.46Å; E365-R368 WeakPolarHBondContact O-CB 2.93Å; E365-R368 PolarHBondContact O-N 3.06Å; E365-R368 VanDerWaalsContact O-N 3.09Å; E365-F369 HydrophobicContact CB-CD2 4.48Å; E365-F369 HydrophobicContact CB-CE2 4.23Å; E365-F369 WeakPolarHBondContact O-CD2 3.27Å; E365-F369 PolarHBondContact O-N 2.64Å
366	I	95.1	Very high	95.1	Very high	116 Å²	116	99.6 Å²	99.6	60%	0.595	49%	0.485	S	S	*	.	H	α-helix	trans	-57.6	-47.2	176.4	-69.9	163.9	0	0	0	110.2	A362 E363 R368 F369 D370	A362-I366 WeakPolarHBondContact O-CB 3.26Å; A362-I366 WeakPolarHBondContact O-CD1 3.28Å; A362-I366 WeakPolarHBondContact O-CG1 3.24Å; A362-I366 PolarHBondContact O-N 3.43Å; E363-I366 PolarHBondContact O-N 3.41Å; I366-R368 VanDerWaalsContact C-N 3.3Å; I366-R368 PolarHBondContact O-N 3.33Å; I366-F369 PolarHBondContact O-N 3.38Å; I366-D370 WeakPolarHBondContact O-CB 3.47Å; I366-D370 PolarHBondContact O-N 3.23Å
367	K	95.2	Very high	95.4	Very high	107 Å²	107	102.9 Å²	102.9	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-31.2	176.9	-71.7	168.4	-172.7	164.8	0	113.1	E363 E365 R371	E363-K367 WeakPolarHBondContact O-CB 3.28Å; E363-K367 VanDerWaalsContact O-CG 3.24Å; E363-K367 WeakPolarHBondContact O-CG 3.47Å; E363-K367 PolarHBondContact O-N 3.21Å; E365-K367 VanDerWaalsContact C-N 3.33Å; E365-K367 PolarHBondContact O-N 3.46Å; K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.4Å; K367-R371 PolarHBondContact O-N 2.83Å; K367-R371 PolarHBondContact O-NE 2.8Å; K367-R371 VanDerWaalsContact O-NE 3.15Å
368	R	95.4	Very high	95.5	Very high	156 Å²	156	104.4 Å²	104.4	59%	0.589	50%	0.5	S	S	*	.	H	α-helix	trans	-71.6	-46	174.8	-76.8	169.8	-173.3	179.5	3.3	111	D364 E365 I366 R371 A372	D364-R368 WeakPolarHBondContact O-CB 3.39Å; D364-R368 WeakPolarHBondContact O-CG 3.07Å; D364-R368 PolarHBondContact O-N 2.95Å; E365-R368 WeakPolarHBondContact O-CB 2.93Å; E365-R368 PolarHBondContact O-N 3.06Å; E365-R368 VanDerWaalsContact O-N 3.09Å; I366-R368 VanDerWaalsContact C-N 3.3Å; I366-R368 PolarHBondContact O-N 3.33Å; R368-R371 PolarHBondContact O-N 3.22Å; R368-A372 WeakPolarHBondContact O-CB 3.29Å; R368-A372 PolarHBondContact O-N 3.05Å
369	F	95.5	Very high	95.6	Very high	143 Å²	143	105.6 Å²	105.6	63%	0.627	50%	0.498	S	S	*	.	H	α-helix	trans	-64.5	-40.9	177.5	-69.5	-52.2	0	0	0	112.2	E365 I366 R371 A372 A373	E365-F369 HydrophobicContact CB-CD2 4.48Å; E365-F369 HydrophobicContact CB-CE2 4.23Å; E365-F369 WeakPolarHBondContact O-CD2 3.27Å; E365-F369 PolarHBondContact O-N 2.64Å; I366-F369 PolarHBondContact O-N 3.38Å; F369-R371 PolarHBondContact O-N 3.38Å; F369-A372 PolarHBondContact O-N 3.35Å; F369-A373 WeakPolarHBondContact O-CB 3.37Å; F369-A373 PolarHBondContact O-N 2.82Å
370	D	96.3	Very high	95.7	Very high	67 Å²	67	101.9 Å²	101.9	36%	0.358	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-44.7	174.8	179.5	58.7	0	0	0	111.7	I366 A373 R374	I366-D370 WeakPolarHBondContact O-CB 3.47Å; I366-D370 PolarHBondContact O-N 3.23Å; D370-A373 PolarHBondContact O-N 3.04Å; D370-R374 WeakPolarHBondContact O-CG 3.39Å; D370-R374 PolarHBondContact O-N 3.38Å; D370-R374 IonicContact OD1-CZ 2.82Å; D370-R374 IonicContact OD1-NE 3.2Å; D370-R374 IonicContact OD1-NH2 2.7Å; D370-R374 PolarHBondContact OD1-NH2 3.17Å; D370-R374 IonicContact OD2-CZ 3.73Å; D370-R374 IonicContact OD2-NE 3.78Å; D370-R374 IonicContact OD2-NH1 3.17Å; D370-R374 PolarHBondContact OD2-NH1 2.95Å; D370-R374 IonicContact OD2-NH2 2.77Å; D370-R374 PolarHBondContact OD2-NH2 3.42Å
371	R	96	Very high	95.8	Very high	159 Å²	159	97.2 Å²	97.2	60%	0.6	48%	0.475	S	S	*	.	H	α-helix	trans	-64.3	-41.2	174.3	-75	-177	-67.9	165	-2.2	113.1	K367 R368 F369 F375	K367-R371 VanDerWaalsContact O-CG 3.31Å; K367-R371 WeakPolarHBondContact O-CG 3.4Å; K367-R371 PolarHBondContact O-N 2.83Å; K367-R371 PolarHBondContact O-NE 2.8Å; K367-R371 VanDerWaalsContact O-NE 3.15Å; R368-R371 PolarHBondContact O-N 3.22Å; F369-R371 PolarHBondContact O-N 3.38Å; R371-F375 WeakPolarHBondContact O-CB 3.5Å; R371-F375 PolarHBondContact O-N 3.47Å
372	A	96.3	Very high	95.8	Very high	56 Å²	56	96.6 Å²	96.6	46%	0.463	48%	0.478	S	S	.	.	H	α-helix	trans	-66.8	-39	177.8	0	0	0	0	0	111.7	R368 F369 F375 E376	R368-A372 WeakPolarHBondContact O-CB 3.29Å; R368-A372 PolarHBondContact O-N 3.05Å; F369-A372 PolarHBondContact O-N 3.35Å; A372-F375 PolarHBondContact O-N 3.15Å; A372-E376 WeakPolarHBondContact O-CB 3.42Å; A372-E376 PolarHBondContact O-N 3.44Å
373	A	96	Very high	95.9	Very high	46 Å²	46	98.8 Å²	98.8	38%	0.38	48%	0.483	S	S	.	.	H	α-helix	trans	-62.1	-49.4	175.2	0	0	0	0	0	111.2	F369 D370 F375 E376 E377	F369-A373 WeakPolarHBondContact O-CB 3.37Å; F369-A373 PolarHBondContact O-N 2.82Å; D370-A373 PolarHBondContact O-N 3.04Å; A373-F375 PolarHBondContact O-N 3.26Å; A373-E376 PolarHBondContact O-N 2.86Å; A373-E376 VanDerWaalsContact O-N 3.17Å; A373-E377 WeakPolarHBondContact O-CG 3.37Å; A373-E377 PolarHBondContact O-N 2.93Å
374	R	95.9	Very high	96	Very high	134 Å²	134	100.1 Å²	100.1	51%	0.506	49%	0.49	S	S	.	.	H	α-helix	trans	-60.5	-43.1	176.4	-70.7	-176.3	-170.6	140	16.9	113.1	D370 E376 E377 D378	D370-R374 WeakPolarHBondContact O-CG 3.39Å; D370-R374 PolarHBondContact O-N 3.38Å; D370-R374 IonicContact OD1-CZ 2.82Å; D370-R374 IonicContact OD1-NE 3.2Å; D370-R374 IonicContact OD1-NH2 2.7Å; D370-R374 PolarHBondContact OD1-NH2 3.17Å; D370-R374 IonicContact OD2-CZ 3.73Å; D370-R374 IonicContact OD2-NE 3.78Å; D370-R374 IonicContact OD2-NH1 3.17Å; D370-R374 PolarHBondContact OD2-NH1 2.95Å; D370-R374 IonicContact OD2-NH2 2.77Å; D370-R374 PolarHBondContact OD2-NH2 3.42Å; R374-E376 VanDerWaalsContact C-N 3.27Å; R374-E376 PolarHBondContact O-N 3.4Å; R374-E377 WeakPolarHBondContact O-CB 3.44Å; R374-E377 PolarHBondContact O-N 3.45Å; R374-D378 PolarHBondContact O-N 2.85Å
375	F	95.9	Very high	96	Very high	138 Å²	138	102.8 Å²	102.8	61%	0.605	50%	0.5	S	S	*	.	H	α-helix	trans	-60.5	-39.7	176.5	175.6	-96.7	0	0	0	112	R371 A372 A373 R379	R371-F375 WeakPolarHBondContact O-CB 3.5Å; R371-F375 PolarHBondContact O-N 3.47Å; A372-F375 PolarHBondContact O-N 3.15Å; A373-F375 PolarHBondContact O-N 3.26Å; F375-R379 WeakPolarHBondContact O-CB 3.27Å; F375-R379 PolarHBondContact O-N 2.96Å
376	E	95.2	Very high	96.1	Very high	84 Å²	84	102.9 Å²	102.9	39%	0.393	50%	0.501	S	S	.	.	H	α-helix	trans	-70.1	-37.6	177.1	-169.6	58.4	-143.6	0	0	112	A372 A373 R374 R379 A380	A372-E376 WeakPolarHBondContact O-CB 3.42Å; A372-E376 PolarHBondContact O-N 3.44Å; A373-E376 PolarHBondContact O-N 2.86Å; A373-E376 VanDerWaalsContact O-N 3.17Å; R374-E376 VanDerWaalsContact C-N 3.27Å; R374-E376 PolarHBondContact O-N 3.4Å; E376-R379 PolarHBondContact O-N 2.85Å; E376-R379 IonicContact OE1-CZ 2.99Å; E376-R379 IonicContact OE1-NE 3.22Å; E376-R379 PolarHBondContact OE1-NE 3.17Å; E376-R379 IonicContact OE1-NH2 2.67Å; E376-R379 PolarHBondContact OE1-NH2 3.05Å; E376-R379 IonicContact OE2-CZ 3.83Å; E376-R379 VanDerWaalsContact OE2-CZ 3.22Å; E376-R379 IonicContact OE2-NE 3.87Å; E376-R379 PolarHBondContact OE2-NE 3.18Å; E376-R379 IonicContact OE2-NH2 3.05Å; E376-R379 PolarHBondContact OE2-NH2 3.39Å; E376-A380 WeakPolarHBondContact O-CB 3.32Å; E376-A380 PolarHBondContact O-N 3.49Å
377	E	96.9	Very high	96.2	Very high	124 Å²	124	102.5 Å²	102.5	58%	0.579	50%	0.499	S	S	*	.	H	α-helix	trans	-60.7	-49.3	172.2	-72.1	169	-178.2	0	0	111.1	A373 R374 R379 A380 V381	A373-E377 WeakPolarHBondContact O-CG 3.37Å; A373-E377 PolarHBondContact O-N 2.93Å; R374-E377 WeakPolarHBondContact O-CB 3.44Å; R374-E377 PolarHBondContact O-N 3.45Å; E377-R379 VanDerWaalsContact C-N 3.29Å; E377-R379 PolarHBondContact O-N 3.13Å; E377-A380 WeakPolarHBondContact O-CB 3.36Å; E377-A380 PolarHBondContact O-N 2.83Å; E377-V381 WeakPolarHBondContact O-CG2 3.24Å; E377-V381 PolarHBondContact O-N 3.36Å
378	D	96.1	Very high	96.2	Very high	116 Å²	116	103 Å²	103	62%	0.62	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-39	176.7	-68.8	-27.7	0	0	0	111.7	R374 V381 G382	R374-D378 PolarHBondContact O-N 2.85Å; D378-V381 PolarHBondContact O-N 2.91Å; D378-G382 PolarHBondContact O-N 2.87Å
379	R	96.7	Very high	96.3	Very high	130 Å²	130	101.9 Å²	101.9	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-44.1	175.3	-176	175.5	79.1	156.6	2.8	111.7	F375 E376 E377 V381 G382 L383	F375-R379 WeakPolarHBondContact O-CB 3.27Å; F375-R379 PolarHBondContact O-N 2.96Å; E376-R379 PolarHBondContact O-N 2.85Å; E376-R379 IonicContact OE1-CZ 2.99Å; E376-R379 IonicContact OE1-NE 3.22Å; E376-R379 PolarHBondContact OE1-NE 3.17Å; E376-R379 IonicContact OE1-NH2 2.67Å; E376-R379 PolarHBondContact OE1-NH2 3.05Å; E376-R379 IonicContact OE2-CZ 3.83Å; E376-R379 VanDerWaalsContact OE2-CZ 3.22Å; E376-R379 IonicContact OE2-NE 3.87Å; E376-R379 PolarHBondContact OE2-NE 3.18Å; E376-R379 IonicContact OE2-NH2 3.05Å; E376-R379 PolarHBondContact OE2-NH2 3.39Å; E377-R379 VanDerWaalsContact C-N 3.29Å; E377-R379 PolarHBondContact O-N 3.13Å; R379-V381 VanDerWaalsContact C-N 3.32Å; R379-G382 PolarHBondContact O-N 3.18Å; R379-L383 HydrophobicContact CG-CD1 4.22Å; R379-L383 WeakPolarHBondContact O-CG 3.16Å; R379-L383 PolarHBondContact O-N 3.21Å
380	A	96.3	Very high	96.4	Very high	39 Å²	39	99.3 Å²	99.3	32%	0.322	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-45.3	177.2	0	0	0	0	0	110.6	E376 E377 G382 L383 E384	E376-A380 WeakPolarHBondContact O-CB 3.32Å; E376-A380 PolarHBondContact O-N 3.49Å; E377-A380 WeakPolarHBondContact O-CB 3.36Å; E377-A380 PolarHBondContact O-N 2.83Å; A380-G382 VanDerWaalsContact C-N 3.35Å; A380-G382 PolarHBondContact O-N 3.34Å; A380-L383 PolarHBondContact O-N 3.42Å; A380-E384 WeakPolarHBondContact O-CG 3.29Å; A380-E384 PolarHBondContact O-N 2.97Å
381	V	96.1	Very high	96.4	Very high	69 Å²	69	99.3 Å²	99.3	42%	0.418	50%	0.497	S	S	.	.	H	α-helix	trans	-58.9	-45.4	174.4	174.3	0	0	0	0	111	E377 D378 R379 L383 E384 H385	E377-V381 WeakPolarHBondContact O-CG2 3.24Å; E377-V381 PolarHBondContact O-N 3.36Å; D378-V381 PolarHBondContact O-N 2.91Å; R379-V381 VanDerWaalsContact C-N 3.32Å; V381-L383 PolarHBondContact O-N 2.94Å; V381-E384 PolarHBondContact O-N 2.75Å; V381-H385 VanDerWaalsContact CG1-CE1 3.49Å; V381-H385 WeakPolarHBondContact CG1-CE1 3.45Å; V381-H385 PolarHBondContact O-N 3.49Å; V381-H385 PolarHBondContact O-ND1 2.84Å
382	G	95.8	Very high	96.5	Very high	41 Å²	41	97.9 Å²	97.9	42%	0.423	50%	0.497	S	S	.	.	H	α-helix	trans	-59.9	-43.1	177.1	0	0	0	0	0	113.3	D378 R379 A380 H385 E386	D378-G382 PolarHBondContact O-N 2.87Å; R379-G382 PolarHBondContact O-N 3.18Å; A380-G382 VanDerWaalsContact C-N 3.35Å; A380-G382 PolarHBondContact O-N 3.34Å; G382-H385 PolarHBondContact O-N 3.23Å; G382-E386 PolarHBondContact O-N 3.18Å; G382-E386 VanDerWaalsContact O-N 3.13Å
383	L	97.1	Very high	96.5	Very high	85 Å²	85	98.9 Å²	98.9	45%	0.445	49%	0.494	S	S	.	.	H	α-helix	trans	-67.3	-35.4	177.1	-69.8	172.9	0	0	0	112.4	R379 A380 V381 E386 I387	R379-L383 HydrophobicContact CG-CD1 4.22Å; R379-L383 WeakPolarHBondContact O-CG 3.16Å; R379-L383 PolarHBondContact O-N 3.21Å; A380-L383 PolarHBondContact O-N 3.42Å; V381-L383 PolarHBondContact O-N 2.94Å; L383-E386 PolarHBondContact O-N 3.49Å; L383-I387 VanDerWaalsContact O-CG1 3.26Å; L383-I387 WeakPolarHBondContact O-CG1 3.39Å; L383-I387 PolarHBondContact O-N 3.29Å
384	E	96.9	Very high	96.5	Very high	125 Å²	125	100.6 Å²	100.6	58%	0.584	50%	0.499	S	S	*	.	H	α-helix	trans	-60.7	-45.9	175.3	-75.6	173.1	177.8	0	0	111.7	A380 V381 E386 I387 E388	A380-E384 WeakPolarHBondContact O-CG 3.29Å; A380-E384 PolarHBondContact O-N 2.97Å; V381-E384 PolarHBondContact O-N 2.75Å; E384-E386 VanDerWaalsContact C-N 3.33Å; E384-E386 PolarHBondContact O-N 2.71Å; E384-I387 PolarHBondContact O-N 2.85Å; E384-E388 PolarHBondContact O-N 3.03Å
385	H	95.7	Very high	96.6	Very high	116 Å²	116	98.8 Å²	98.8	54%	0.537	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-36.8	176	-67.8	84.5	0	0	0	112.2	V381 G382 E388 K389	V381-H385 VanDerWaalsContact CG1-CE1 3.49Å; V381-H385 WeakPolarHBondContact CG1-CE1 3.45Å; V381-H385 PolarHBondContact O-N 3.49Å; V381-H385 PolarHBondContact O-ND1 2.84Å; G382-H385 PolarHBondContact O-N 3.23Å; H385-E388 PolarHBondContact O-N 3.14Å; H385-K389 WeakPolarHBondContact O-CB 3.48Å; H385-K389 PolarHBondContact O-N 3.37Å
386	E	97.4	Very high	96.5	Very high	110 Å²	110	93.8 Å²	93.8	51%	0.514	49%	0.487	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.3	-173.5	172.7	-168.9	0	0	111.6	G382 L383 E384 K389 L390	G382-E386 PolarHBondContact O-N 3.18Å; G382-E386 VanDerWaalsContact O-N 3.13Å; L383-E386 PolarHBondContact O-N 3.49Å; E384-E386 VanDerWaalsContact C-N 3.33Å; E384-E386 PolarHBondContact O-N 2.71Å; E386-K389 PolarHBondContact O-N 3.4Å; E386-L390 HydrophobicContact CG-CD1 4.03Å; E386-L390 HydrophobicContact CG-CG 4.39Å; E386-L390 WeakPolarHBondContact O-CB 3.26Å; E386-L390 VanDerWaalsContact O-CG 3.29Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 2.65Å
387	I	96.7	Very high	96.4	Very high	108 Å²	108	95.2 Å²	95.2	55%	0.554	49%	0.494	S	S	*	.	H	α-helix	trans	-59.8	-48.3	173.6	-70.4	164.9	0	0	0	110.1	L383 E384 K389 L390 T391	L383-I387 VanDerWaalsContact O-CG1 3.26Å; L383-I387 WeakPolarHBondContact O-CG1 3.39Å; L383-I387 PolarHBondContact O-N 3.29Å; E384-I387 PolarHBondContact O-N 2.85Å; I387-K389 PolarHBondContact O-N 3.48Å; I387-L390 PolarHBondContact O-N 3.46Å; I387-T391 HydrophobicContact CG2-CG2 4.27Å; I387-T391 VanDerWaalsContact O-CG2 3.24Å; I387-T391 WeakPolarHBondContact O-CG2 3.27Å; I387-T391 PolarHBondContact O-N 2.9Å; I387-T391 PolarHBondContact O-OG1 3.45Å
388	E	96.5	Very high	96.3	Very high	116 Å²	116	94.6 Å²	94.6	54%	0.542	49%	0.491	S	S	.	.	H	α-helix	trans	-56.7	-51.5	178.1	-175.8	174.5	-159.1	0	0	111.2	E384 H385 L390 T391 E392	E384-E388 PolarHBondContact O-N 3.03Å; H385-E388 PolarHBondContact O-N 3.14Å; E388-L390 PolarHBondContact O-N 2.92Å; E388-T391 WeakPolarHBondContact CA-OG1 3.14Å; E388-T391 PolarHBondContact O-N 3.22Å; E388-T391 VanDerWaalsContact O-N 3.15Å; E388-T391 PolarHBondContact O-OG1 3.48Å; E388-E392 PolarHBondContact O-N 2.9Å; E388-E392 VanDerWaalsContact O-N 3.08Å
389	K	97.3	Very high	96	Very high	134 Å²	134	91.7 Å²	91.7	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-57.7	-46.2	177.2	-179.2	-175.7	175.8	-174.2	0	112.7	H385 E386 I387 T391 E392 I393	H385-K389 WeakPolarHBondContact O-CB 3.48Å; H385-K389 PolarHBondContact O-N 3.37Å; E386-K389 PolarHBondContact O-N 3.4Å; I387-K389 PolarHBondContact O-N 3.48Å; K389-T391 VanDerWaalsContact C-N 3.31Å; K389-T391 PolarHBondContact O-N 3.1Å; K389-E392 PolarHBondContact O-N 3.35Å; K389-I393 HydrophobicContact CG-CD1 4.37Å; K389-I393 WeakPolarHBondContact O-CG1 3.32Å; K389-I393 PolarHBondContact O-N 3.49Å
390	L	97.4	Very high	95.6	Very high	89 Å²	89	91.5 Å²	91.5	47%	0.466	48%	0.484	S	S	.	.	H	α-helix	trans	-66.3	-35.4	179.6	-72.4	175.1	0	0	0	111.4	E386 I387 E388 E392 I393 V394	E386-L390 HydrophobicContact CG-CD1 4.03Å; E386-L390 HydrophobicContact CG-CG 4.39Å; E386-L390 WeakPolarHBondContact O-CB 3.26Å; E386-L390 VanDerWaalsContact O-CG 3.29Å; E386-L390 WeakPolarHBondContact O-CG 3.48Å; E386-L390 PolarHBondContact O-N 2.65Å; I387-L390 PolarHBondContact O-N 3.46Å; E388-L390 PolarHBondContact O-N 2.92Å; L390-E392 VanDerWaalsContact C-N 3.34Å; L390-E392 PolarHBondContact O-N 3.49Å; L390-I393 PolarHBondContact O-N 3.29Å; L390-V394 VanDerWaalsContact O-CG2 3.28Å; L390-V394 WeakPolarHBondContact O-CG2 3.38Å; L390-V394 PolarHBondContact O-N 2.88Å
391	T	97	Very high	95.3	Very high	67 Å²	67	94 Å²	94	41%	0.411	50%	0.495	S	S	.	.	H	α-helix	trans	-65	-36.8	175.2	58.7	0	0	0	0	112.5	I387 E388 K389 V394 N395	I387-T391 HydrophobicContact CG2-CG2 4.27Å; I387-T391 VanDerWaalsContact O-CG2 3.24Å; I387-T391 WeakPolarHBondContact O-CG2 3.27Å; I387-T391 PolarHBondContact O-N 2.9Å; I387-T391 PolarHBondContact O-OG1 3.45Å; E388-T391 WeakPolarHBondContact CA-OG1 3.14Å; E388-T391 PolarHBondContact O-N 3.22Å; E388-T391 VanDerWaalsContact O-N 3.15Å; E388-T391 PolarHBondContact O-OG1 3.48Å; K389-T391 VanDerWaalsContact C-N 3.31Å; K389-T391 PolarHBondContact O-N 3.1Å; T391-V394 PolarHBondContact O-N 3.3Å; T391-N395 WeakPolarHBondContact O-CB 3.47Å; T391-N395 PolarHBondContact O-N 3.23Å; T391-N395 PolarHBondContact O-ND2 3.49Å; T391-N395 VanDerWaalsContact O-ND2 3.13Å
392	E	96.5	Very high	95	Very high	129 Å²	129	94.4 Å²	94.4	60%	0.603	50%	0.495	S	S	*	.	H	α-helix	trans	-62.8	-44.3	173.8	-68.3	-177.4	163.8	0	0	112.1	E388 K389 L390 N395 G396	E388-E392 PolarHBondContact O-N 2.9Å; E388-E392 VanDerWaalsContact O-N 3.08Å; K389-E392 PolarHBondContact O-N 3.35Å; L390-E392 VanDerWaalsContact C-N 3.34Å; L390-E392 PolarHBondContact O-N 3.49Å; E392-N395 PolarHBondContact O-N 3.34Å; E392-G396 PolarHBondContact O-N 3.13Å
393	I	97.2	Very high	94.5	Very high	77 Å²	77	95.3 Å²	95.3	40%	0.395	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-48.2	177.8	-64.9	168.4	0	0	0	110.4	K389 L390 N395 G396 E397	K389-I393 HydrophobicContact CG-CD1 4.37Å; K389-I393 WeakPolarHBondContact O-CG1 3.32Å; K389-I393 PolarHBondContact O-N 3.49Å; L390-I393 PolarHBondContact O-N 3.29Å; I393-N395 VanDerWaalsContact C-N 3.33Å; I393-N395 PolarHBondContact O-N 3.17Å; I393-G396 WeakPolarHBondContact O-CA 3.46Å; I393-G396 PolarHBondContact O-N 3.48Å; I393-G396 VanDerWaalsContact O-N 3.11Å; I393-E397 HydrophobicContact CG2-CG 4.43Å; I393-E397 PolarHBondContact O-N 3.25Å
394	V	96.7	Very high	94.1	Very high	81 Å²	81	95.6 Å²	95.6	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-59.7	-43.5	178.9	169.6	0	0	0	0	111.1	L390 T391 G396 E397 E398	L390-V394 VanDerWaalsContact O-CG2 3.28Å; L390-V394 WeakPolarHBondContact O-CG2 3.38Å; L390-V394 PolarHBondContact O-N 2.88Å; T391-V394 PolarHBondContact O-N 3.3Å; V394-G396 VanDerWaalsContact C-N 3.3Å; V394-G396 PolarHBondContact O-N 3.43Å; V394-E397 PolarHBondContact O-N 2.87Å; V394-E398 VanDerWaalsContact O-CB 3.28Å; V394-E398 WeakPolarHBondContact O-CB 3.3Å; V394-E398 PolarHBondContact O-N 2.96Å
395	N	96.3	Very high	93.7	Very high	97 Å²	97	93.7 Å²	93.7	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-38.5	176.6	-69.3	-23	0	0	0	111.9	T391 E392 I393 S399	T391-N395 WeakPolarHBondContact O-CB 3.47Å; T391-N395 PolarHBondContact O-N 3.23Å; T391-N395 PolarHBondContact O-ND2 3.49Å; T391-N395 VanDerWaalsContact O-ND2 3.13Å; E392-N395 PolarHBondContact O-N 3.34Å; I393-N395 VanDerWaalsContact C-N 3.33Å; I393-N395 PolarHBondContact O-N 3.17Å; N395-S399 PolarHBondContact O-N 3.05Å; N395-S399 VanDerWaalsContact O-N 3.12Å
396	G	94.4	Very high	93.2	Very high	32 Å²	32	93.7 Å²	93.7	33%	0.33	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-54.2	174.5	0	0	0	0	0	112	E392 I393 V394 E398 S399 E400	E392-G396 PolarHBondContact O-N 3.13Å; I393-G396 WeakPolarHBondContact O-CA 3.46Å; I393-G396 PolarHBondContact O-N 3.48Å; I393-G396 VanDerWaalsContact O-N 3.11Å; V394-G396 VanDerWaalsContact C-N 3.3Å; V394-G396 PolarHBondContact O-N 3.43Å; G396-E398 VanDerWaalsContact C-N 3.34Å; G396-E398 PolarHBondContact O-N 3.26Å; G396-S399 WeakPolarHBondContact O-CB 3.5Å; G396-S399 PolarHBondContact O-N 3.5Å; G396-S399 VanDerWaalsContact O-N 3.1Å; G396-S399 PolarHBondContact O-OG 2.93Å; G396-E400 PolarHBondContact O-N 2.95Å; G396-E400 VanDerWaalsContact O-N 3.14Å
397	E	93.8	Very high	92.6	Very high	115 Å²	115	88.8 Å²	88.8	54%	0.537	46%	0.46	S	S	.	.	H	α-helix	trans	-61.1	-40.6	178.7	-69.7	-177.4	174.2	0	0	112.1	I393 V394 S399 E400 V401	I393-E397 HydrophobicContact CG2-CG 4.43Å; I393-E397 PolarHBondContact O-N 3.25Å; V394-E397 PolarHBondContact O-N 2.87Å; E397-S399 VanDerWaalsContact C-N 3.26Å; E397-S399 PolarHBondContact O-N 2.79Å; E397-E400 PolarHBondContact O-N 2.74Å; E397-V401 WeakPolarHBondContact O-CB 3.32Å; E397-V401 VanDerWaalsContact O-CG2 3.3Å; E397-V401 WeakPolarHBondContact O-CG2 3.49Å; E397-V401 PolarHBondContact O-N 3.04Å
398	E	95.4	Very high	92.2	Very high	111 Å²	111	88.1 Å²	88.1	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-60.3	-39	175.6	-173.6	179.7	177.3	0	0	111.2	V394 G396 V401 N402	V394-E398 VanDerWaalsContact O-CB 3.28Å; V394-E398 WeakPolarHBondContact O-CB 3.3Å; V394-E398 PolarHBondContact O-N 2.96Å; G396-E398 VanDerWaalsContact C-N 3.34Å; G396-E398 PolarHBondContact O-N 3.26Å; E398-V401 PolarHBondContact O-N 2.94Å; E398-N402 VanDerWaalsContact O-CB 3.29Å; E398-N402 WeakPolarHBondContact O-CB 3.35Å; E398-N402 PolarHBondContact O-N 2.86Å; E398-N402 PolarHBondContact O-ND2 2.94Å
399	S	89.7	Confident	91.8	Very high	55 Å²	55	86.4 Å²	86.4	39%	0.385	45%	0.451	S	S	.	.	H	α-helix	trans	-65.4	-39.3	176.3	84.2	0	0	0	0	112.6	N395 G396 E397 N402 Q403	N395-S399 PolarHBondContact O-N 3.05Å; N395-S399 VanDerWaalsContact O-N 3.12Å; G396-S399 WeakPolarHBondContact O-CB 3.5Å; G396-S399 PolarHBondContact O-N 3.5Å; G396-S399 VanDerWaalsContact O-N 3.1Å; G396-S399 PolarHBondContact O-OG 2.93Å; E397-S399 VanDerWaalsContact C-N 3.26Å; E397-S399 PolarHBondContact O-N 2.79Å; S399-N402 PolarHBondContact O-N 3.4Å; S399-Q403 WeakPolarHBondContact O-CG 3.48Å; S399-Q403 PolarHBondContact O-N 2.77Å; S399-Q403 VanDerWaalsContact O-N 3.09Å
400	E	87.6	Confident	91.2	Very high	126 Å²	126	80.9 Å²	80.9	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-68.1	-45.5	176	-68.2	-176.8	177.7	0	0	111.4	G396 E397 N402 Q403 L404	G396-E400 PolarHBondContact O-N 2.95Å; G396-E400 VanDerWaalsContact O-N 3.14Å; E397-E400 PolarHBondContact O-N 2.74Å; E400-N402 VanDerWaalsContact C-N 3.29Å; E400-N402 PolarHBondContact O-N 2.88Å; E400-Q403 WeakPolarHBondContact O-CB 3.3Å; E400-Q403 PolarHBondContact O-N 3.37Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; E400-L404 WeakPolarHBondContact O-CG 3.35Å; E400-L404 PolarHBondContact O-N 3.49Å
401	V	90.4	Very high	90.6	Very high	90 Å²	90	79.3 Å²	79.3	55%	0.545	42%	0.419	S	S	.	.	H	α-helix	trans	-59.4	-41.8	175.7	170.8	0	0	0	0	110.8	E397 E398 Q403 L404 N405	E397-V401 WeakPolarHBondContact O-CB 3.32Å; E397-V401 VanDerWaalsContact O-CG2 3.3Å; E397-V401 WeakPolarHBondContact O-CG2 3.49Å; E397-V401 PolarHBondContact O-N 3.04Å; E398-V401 PolarHBondContact O-N 2.94Å; V401-Q403 PolarHBondContact O-N 3.04Å; V401-L404 PolarHBondContact O-N 2.76Å; V401-N405 WeakPolarHBondContact O-CB 3.28Å; V401-N405 PolarHBondContact O-N 3.25Å
402	N	89.1	Confident	90.1	Very high	78 Å²	78	82.3 Å²	82.3	42%	0.417	43%	0.426	S	S	.	.	H	α-helix	trans	-63.2	-39.9	176	-78.1	-35.2	0	0	0	112.1	E398 S399 E400 N405 K406	E398-N402 VanDerWaalsContact O-CB 3.29Å; E398-N402 WeakPolarHBondContact O-CB 3.35Å; E398-N402 PolarHBondContact O-N 2.86Å; E398-N402 PolarHBondContact O-ND2 2.94Å; S399-N402 PolarHBondContact O-N 3.4Å; E400-N402 VanDerWaalsContact C-N 3.29Å; E400-N402 PolarHBondContact O-N 2.88Å; N402-N405 PolarHBondContact O-N 2.67Å; N402-K406 WeakPolarHBondContact O-CG 3.29Å; N402-K406 PolarHBondContact O-N 3.17Å
403	Q	86.3	Confident	89.6	Confident	60 Å²	60	81.4 Å²	81.4	28%	0.28	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-44.5	174.7	-71	176.9	39.4	0	0	111.9	S399 E400 V401 N405 K406 A407 L447	S399-Q403 WeakPolarHBondContact O-CG 3.48Å; S399-Q403 PolarHBondContact O-N 2.77Å; S399-Q403 VanDerWaalsContact O-N 3.09Å; E400-Q403 WeakPolarHBondContact O-CB 3.3Å; E400-Q403 PolarHBondContact O-N 3.37Å; E400-Q403 VanDerWaalsContact O-N 3.12Å; V401-Q403 PolarHBondContact O-N 3.04Å; Q403-N405 VanDerWaalsContact C-N 3.32Å; Q403-N405 PolarHBondContact O-N 2.97Å; Q403-K406 WeakPolarHBondContact O-CB 3.31Å; Q403-K406 PolarHBondContact O-N 3.33Å; Q403-A407 PolarHBondContact O-N 2.77Å; Q403-L447 HydrophobicContact CB-CD2 4Å; Q403-L447 HydrophobicContact CB-CG 4.49Å
404	L	87	Confident	88.9	Confident	91 Å²	91	78.6 Å²	78.6	48%	0.476	41%	0.405	S	S	.	.	H	α-helix	trans	-62.9	-39	176.1	-69.9	173.9	0	0	0	111.9	E400 V401 A407 L408 L447	E400-L404 WeakPolarHBondContact O-CG 3.35Å; E400-L404 PolarHBondContact O-N 3.49Å; V401-L404 PolarHBondContact O-N 2.76Å; L404-A407 WeakPolarHBondContact O-CB 3.43Å; L404-A407 PolarHBondContact O-N 3.12Å; L404-L408 WeakPolarHBondContact O-CG 3.45Å; L404-L408 PolarHBondContact O-N 3.09Å; L404-L447 HydrophobicContact CD2-CD2 3.87Å; L404-L447 HydrophobicContact CG-CD2 4.39Å
405	N	89.2	Confident	88.2	Confident	85 Å²	85	79.8 Å²	79.8	46%	0.455	41%	0.406	S	S	.	.	H	α-helix	trans	-65.9	-39.4	177.2	-163.7	10.8	0	0	0	111.6	V401 N402 Q403 A407 L408 I409	V401-N405 WeakPolarHBondContact O-CB 3.28Å; V401-N405 PolarHBondContact O-N 3.25Å; N402-N405 PolarHBondContact O-N 2.67Å; Q403-N405 VanDerWaalsContact C-N 3.32Å; Q403-N405 PolarHBondContact O-N 2.97Å; N405-A407 VanDerWaalsContact C-N 3.35Å; N405-A407 PolarHBondContact O-N 3.1Å; N405-L408 PolarHBondContact O-N 3.26Å; N405-I409 VanDerWaalsContact O-CG1 3.28Å; N405-I409 WeakPolarHBondContact O-CG1 3.46Å; N405-I409 PolarHBondContact O-N 3.06Å
406	K	85.2	Confident	87.5	Confident	117 Å²	117	80.4 Å²	80.4	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-57.9	-47.2	170.8	-71.3	174.5	-177.4	-174.6	0	111.3	N402 Q403 L408 I409 L410	N402-K406 WeakPolarHBondContact O-CG 3.29Å; N402-K406 PolarHBondContact O-N 3.17Å; Q403-K406 WeakPolarHBondContact O-CB 3.31Å; Q403-K406 PolarHBondContact O-N 3.33Å; K406-L408 PolarHBondContact O-N 3.16Å; K406-I409 PolarHBondContact O-N 2.85Å; K406-L410 WeakPolarHBondContact O-CG 3.31Å; K406-L410 PolarHBondContact O-N 3.12Å
407	A	85.9	Confident	86.7	Confident	6 Å²	6	83.3 Å²	83.3	5%	0.05	41%	0.414	C	S	.	.	H	α-helix	trans	-61	-43	176.7	0	0	0	0	0	112.3	Q403 L404 N405 I409 L410 I411 L447 L453	Q403-A407 PolarHBondContact O-N 2.77Å; L404-A407 WeakPolarHBondContact O-CB 3.43Å; L404-A407 PolarHBondContact O-N 3.12Å; N405-A407 VanDerWaalsContact C-N 3.35Å; N405-A407 PolarHBondContact O-N 3.1Å; A407-I409 VanDerWaalsContact C-N 3.33Å; A407-I409 PolarHBondContact O-N 3.39Å; A407-L410 WeakPolarHBondContact O-CB 3.42Å; A407-L410 PolarHBondContact O-N 2.97Å; A407-L410 VanDerWaalsContact O-N 3.13Å; A407-I411 WeakPolarHBondContact O-CG1 3.17Å; A407-I411 PolarHBondContact O-N 3.01Å; A407-L447 HydrophobicContact CB-CD1 3.64Å; A407-L453 HydrophobicContact CB-CD1 4.18Å
408	L	87.8	Confident	85.8	Confident	95 Å²	95	80.6 Å²	80.6	50%	0.497	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-39.1	175.6	-74.9	173.4	0	0	0	112.6	L404 N405 K406 L410 I411 K412	L404-L408 WeakPolarHBondContact O-CG 3.45Å; L404-L408 PolarHBondContact O-N 3.09Å; N405-L408 PolarHBondContact O-N 3.26Å; K406-L408 PolarHBondContact O-N 3.16Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-I411 PolarHBondContact O-N 3.13Å; L408-K412 WeakPolarHBondContact O-CG 3.39Å; L408-K412 PolarHBondContact O-N 3.25Å
409	I	88.5	Confident	84.6	Confident	80 Å²	80	80 Å²	80	41%	0.41	40%	0.404	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174.6	-68.5	163.6	0	0	0	110.3	N405 K406 A407 K412 K413	N405-I409 VanDerWaalsContact O-CG1 3.28Å; N405-I409 WeakPolarHBondContact O-CG1 3.46Å; N405-I409 PolarHBondContact O-N 3.06Å; K406-I409 PolarHBondContact O-N 2.85Å; A407-I409 VanDerWaalsContact C-N 3.33Å; A407-I409 PolarHBondContact O-N 3.39Å; I409-K412 PolarHBondContact O-N 3.49Å; I409-K413 HydrophobicContact CG2-CD 4.37Å; I409-K413 WeakPolarHBondContact O-CG 3.46Å; I409-K413 PolarHBondContact O-N 2.97Å
410	L	84.6	Confident	83.5	Confident	18 Å²	18	85 Å²	85	9%	0.094	42%	0.419	C	S	.	.	H	α-helix	trans	-65.6	-43.3	176.5	-66.9	179.9	0	0	0	112.5	K406 A407 L408 K412 K413 F414 L439 E443	K406-L410 WeakPolarHBondContact O-CG 3.31Å; K406-L410 PolarHBondContact O-N 3.12Å; A407-L410 WeakPolarHBondContact O-CB 3.42Å; A407-L410 PolarHBondContact O-N 2.97Å; A407-L410 VanDerWaalsContact O-N 3.13Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L410-K412 VanDerWaalsContact C-N 3.33Å; L410-K412 PolarHBondContact O-N 3.39Å; L410-K413 HydrophobicContact CD2-CD 4.39Å; L410-K413 PolarHBondContact O-N 2.94Å; L410-F414 PolarHBondContact O-N 3.33Å; L410-L439 HydrophobicContact CD1-CD2 3.71Å; L410-L439 HydrophobicContact CD2-CD2 3.43Å; L410-L439 VanDerWaalsContact CD2-CD2 3.43Å; L410-L439 HydrophobicContact CG-CD2 4.16Å; L410-E443 HydrophobicContact CD1-CB 3.6Å; L410-E443 HydrophobicContact CD1-CG 4.09Å
411	I	83.2	Confident	82.2	Confident	55 Å²	55	82.7 Å²	82.7	28%	0.282	41%	0.408	S	S	.	.	H	α-helix	trans	-60.1	-45.1	175.8	-65.4	164.6	0	0	0	110.2	A407 L408 K413 F414 E415 L453	A407-I411 WeakPolarHBondContact O-CG1 3.17Å; A407-I411 PolarHBondContact O-N 3.01Å; L408-I411 PolarHBondContact O-N 3.13Å; I411-K413 PolarHBondContact O-N 2.82Å; I411-F414 CarbonylContact O-C 3.58Å; I411-F414 WeakPolarHBondContact O-CB 3.42Å; I411-F414 PolarHBondContact O-N 3.19Å; I411-F414 VanDerWaalsContact O-N 3.16Å; I411-E415 HydrophobicContact CG2-CG 4.36Å; I411-E415 WeakPolarHBondContact O-CG 3.37Å; I411-E415 PolarHBondContact O-N 3.4Å; I411-L453 HydrophobicContact CD1-CD2 3.67Å; I411-L453 HydrophobicContact CG1-CD2 4.34Å
412	K	87.1	Confident	80.6	Confident	130 Å²	130	82.4 Å²	82.4	57%	0.565	41%	0.41	S	S	*	.	H	α-helix	trans	-60.7	-44.5	176.4	-76	178.4	178.2	178	0	112.5	L408 I409 L410 F414 E415 D416	L408-K412 WeakPolarHBondContact O-CG 3.39Å; L408-K412 PolarHBondContact O-N 3.25Å; I409-K412 PolarHBondContact O-N 3.49Å; L410-K412 VanDerWaalsContact C-N 3.33Å; L410-K412 PolarHBondContact O-N 3.39Å; K412-F414 VanDerWaalsContact C-N 3.26Å; K412-F414 PolarHBondContact O-N 3.11Å; K412-E415 PolarHBondContact O-N 3Å; K412-D416 VanDerWaalsContact O-CG 3.26Å; K412-D416 PolarHBondContact O-N 2.96Å
413	K	86.4	Confident	79	Confident	111 Å²	111	82.3 Å²	82.3	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-59.4	-40.1	175	-71.5	173.5	178.9	-179	0	111.6	I409 L410 I411 D416 E417 W436	I409-K413 HydrophobicContact CG2-CD 4.37Å; I409-K413 WeakPolarHBondContact O-CG 3.46Å; I409-K413 PolarHBondContact O-N 2.97Å; L410-K413 HydrophobicContact CD2-CD 4.39Å; L410-K413 PolarHBondContact O-N 2.94Å; I411-K413 PolarHBondContact O-N 2.82Å; K413-D416 PolarHBondContact O-N 3.27Å; K413-E417 PolarHBondContact O-N 3.35Å; K413-W436 HydrophobicContact CB-CH2 3.81Å
414	F	82.8	Confident	77.2	Confident	17 Å²	17	82.8 Å²	82.8	8%	0.075	44%	0.437	C	S	.	.	H	α-helix	trans	-66.4	-43	175	175.1	-98.6	0	0	0	112.1	L410 I411 K412 D416 E417 F418 L428 W436 I457	L410-F414 PolarHBondContact O-N 3.33Å; I411-F414 CarbonylContact O-C 3.58Å; I411-F414 WeakPolarHBondContact O-CB 3.42Å; I411-F414 PolarHBondContact O-N 3.19Å; I411-F414 VanDerWaalsContact O-N 3.16Å; K412-F414 VanDerWaalsContact C-N 3.26Å; K412-F414 PolarHBondContact O-N 3.11Å; F414-D416 VanDerWaalsContact C-N 3.33Å; F414-D416 PolarHBondContact O-N 3.08Å; F414-E417 PolarHBondContact O-N 3.13Å; F414-F418 HydrophobicContact CE1-CB 4.45Å; F414-F418 HydrophobicContact CE1-CD2 4.41Å; F414-F418 HydrophobicContact CZ-CD2 4.17Å; F414-F418 VanDerWaalsContact O-CB 3.23Å; F414-F418 WeakPolarHBondContact O-CB 3.14Å; F414-F418 PolarHBondContact O-N 2.77Å; F414-L428 HydrophobicContact CE2-CD2 3.67Å; F414-L428 HydrophobicContact CZ-CD2 4.31Å; F414-W436 HydrophobicContact CB-CD2 4.43Å; F414-W436 HydrophobicContact CB-CE3 4.32Å; F414-W436 HydrophobicContact CB-CH2 4.02Å; F414-W436 HydrophobicContact CB-CZ2 4.11Å; F414-W436 HydrophobicContact CB-CZ3 4.12Å; F414-W436 AromaticContact CD2-CD1 3.9Å; F414-W436 AromaticContact CD2-CD2 3.81Å; F414-W436 HydrophobicContact CD2-CD2 3.81Å; F414-W436 AromaticContact CD2-CE2 3.77Å; F414-W436 HydrophobicContact CD2-CE3 4.41Å; F414-W436 AromaticContact CD2-CG 3.9Å; F414-W436 HydrophobicContact CD2-CG 3.9Å; F414-W436 HydrophobicContact CD2-CZ2 4.32Å; F414-W436 AromaticContact CD2-NE1 3.84Å; F414-W436 HydrophobicContact CE2-CG 4.34Å; F414-I457 HydrophobicContact CB-CD1 4.44Å; F414-I457 HydrophobicContact CD1-CG1 4.25Å; F414-I457 HydrophobicContact CD2-CD1 3.89Å; F414-I457 HydrophobicContact CD2-CG1 4.29Å; F414-I457 HydrophobicContact CD2-CG2 4.26Å; F414-I457 HydrophobicContact CE1-CG1 4.27Å; F414-I457 HydrophobicContact CE2-CB 4.38Å; F414-I457 HydrophobicContact CE2-CD1 4.27Å; F414-I457 HydrophobicContact CE2-CG1 4.31Å; F414-I457 HydrophobicContact CE2-CG2 3.65Å; F414-I457 HydrophobicContact CG-CD1 4.01Å; F414-I457 HydrophobicContact CG-CG1 4.25Å; F414-I457 HydrophobicContact CZ-CB 4.26Å; F414-I457 HydrophobicContact CZ-CG1 4.3Å; F414-I457 HydrophobicContact CZ-CG2 3.86Å
415	E	81.7	Confident	75.5	Confident	107 Å²	107	86.8 Å²	86.8	50%	0.5	46%	0.459	S	S	.	.	H	α-helix	trans	-61.1	-41.1	175.2	-73.2	175.9	173.6	0	0	111.7	I411 K412 F418 T419	I411-E415 HydrophobicContact CG2-CG 4.36Å; I411-E415 WeakPolarHBondContact O-CG 3.37Å; I411-E415 PolarHBondContact O-N 3.4Å; K412-E415 PolarHBondContact O-N 3Å; E415-F418 PolarHBondContact O-N 3.14Å; E415-T419 WeakPolarHBondContact O-CB 3.17Å; E415-T419 VanDerWaalsContact O-CG2 3.28Å; E415-T419 WeakPolarHBondContact O-CG2 3.44Å; E415-T419 PolarHBondContact O-N 2.87Å; E415-T419 PolarHBondContact O-OG1 3.33Å
416	D	82.1	Confident	73.6	Confident	109 Å²	109	86.8 Å²	86.8	58%	0.583	46%	0.462	S	S	*	.	H	α-helix	trans	-64.3	-44.2	175.7	-68.4	-26	0	0	0	111.1	K412 K413 F414 T419 F420	K412-D416 VanDerWaalsContact O-CG 3.26Å; K412-D416 PolarHBondContact O-N 2.96Å; K413-D416 PolarHBondContact O-N 3.27Å; F414-D416 VanDerWaalsContact C-N 3.33Å; F414-D416 PolarHBondContact O-N 3.08Å; D416-T419 PolarHBondContact O-OG1 2.95Å; D416-T419 VanDerWaalsContact O-OG1 3.06Å; D416-F420 WeakPolarHBondContact O-CB 3.37Å; D416-F420 PolarHBondContact O-N 3.47Å
417	E	77.8	Confident	72.3	Confident	93 Å²	93	85.2 Å²	85.2	44%	0.435	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-40.1	173.8	-78	-169.6	-166.2	0	0	112.3	K413 F414 F420 H421 W436	K413-E417 PolarHBondContact O-N 3.35Å; F414-E417 PolarHBondContact O-N 3.13Å; E417-F420 PolarHBondContact O-N 2.84Å; E417-H421 PolarHBondContact O-N 2.76Å; E417-H421 PolarHBondContact O-ND1 3.17Å; E417-W436 HydrophobicContact CB-CZ2 4.4Å; E417-W436 HydrophobicContact CG-CZ2 4.16Å; E417-W436 VanDerWaalsContact OE2-CE2 3.29Å; E417-W436 WeakPolarHBondContact OE2-CZ2 3.34Å; E417-W436 PolarHBondContact OE2-NE1 2.9Å
418	F	73.2	Confident	71.1	Confident	59 Å²	59	85.9 Å²	85.9	26%	0.259	46%	0.462	S	S	.	.	H	α-helix	trans	-65	-46.7	179.1	-174.7	-85.7	0	0	0	111.1	F414 E415 F420 H421 S422 L428 P460	F414-F418 HydrophobicContact CE1-CB 4.45Å; F414-F418 HydrophobicContact CE1-CD2 4.41Å; F414-F418 HydrophobicContact CZ-CD2 4.17Å; F414-F418 VanDerWaalsContact O-CB 3.23Å; F414-F418 WeakPolarHBondContact O-CB 3.14Å; F414-F418 PolarHBondContact O-N 2.77Å; E415-F418 PolarHBondContact O-N 3.14Å; F418-F420 VanDerWaalsContact C-N 3.32Å; F418-F420 PolarHBondContact O-N 2.91Å; F418-H421 PolarHBondContact O-N 3.44Å; F418-S422 VanDerWaalsContact O-CB 3.32Å; F418-S422 WeakPolarHBondContact O-CB 3.46Å; F418-S422 PolarHBondContact O-N 2.9Å; F418-L428 HydrophobicContact CD2-CD1 3.27Å; F418-L428 HydrophobicContact CE2-CD1 3.67Å; F418-L428 HydrophobicContact CG-CD1 4.31Å; F418-P460 HydrophobicContact CE2-CB 3.87Å; F418-P460 HydrophobicContact CZ-CB 4.06Å
419	T	71.1	Confident	70.2	Confident	97 Å²	97	85.3 Å²	85.3	60%	0.595	46%	0.462	S	S	*	.	H	α-helix	trans	-66.1	-35.3	178.4	52.4	0	0	0	0	112	E415 D416	E415-T419 WeakPolarHBondContact O-CB 3.17Å; E415-T419 VanDerWaalsContact O-CG2 3.28Å; E415-T419 WeakPolarHBondContact O-CG2 3.44Å; E415-T419 PolarHBondContact O-N 2.87Å; E415-T419 PolarHBondContact O-OG1 3.33Å; D416-T419 PolarHBondContact O-OG1 2.95Å; D416-T419 VanDerWaalsContact O-OG1 3.06Å
420	F	66.4	Low	69.4	Low	162 Å²	162	84.1 Å²	84.1	71%	0.711	46%	0.461	S	S	*	.	H	α-helix	trans	-63.1	-42.6	172.7	-174.3	-97	0	0	0	112.1	D416 E417 F418	D416-F420 WeakPolarHBondContact O-CB 3.37Å; D416-F420 PolarHBondContact O-N 3.47Å; E417-F420 PolarHBondContact O-N 2.84Å; F418-F420 VanDerWaalsContact C-N 3.32Å; F418-F420 PolarHBondContact O-N 2.91Å
421	H	59.8	Low	69	Low	77 Å²	77	90.7 Å²	90.7	36%	0.356	49%	0.491	S	S	.	.	H	α-helix	trans	-80.8	-24.2	179.3	-71	83.7	0	0	0	113.7	E417 F418 G423 C424	E417-H421 PolarHBondContact O-N 2.76Å; E417-H421 PolarHBondContact O-ND1 3.17Å; F418-H421 PolarHBondContact O-N 3.44Å; H421-G423 PolarHBondContact O-N 3.49Å; H421-G423 VanDerWaalsContact O-N 3.12Å; H421-C424 CarbonylContact O-C 3.57Å; H421-C424 WeakPolarHBondContact O-CA 3.4Å; H421-C424 WeakPolarHBondContact O-CB 3.27Å; H421-C424 PolarHBondContact O-N 3.47Å
422	S	58.2	Low	68.8	Low	83 Å²	83	89.3 Å²	89.3	58%	0.58	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.7	-179.8	-175.5	0	0	0	0	113.4	F418 C424	F418-S422 VanDerWaalsContact O-CB 3.32Å; F418-S422 WeakPolarHBondContact O-CB 3.46Å; F418-S422 PolarHBondContact O-N 2.9Å; S422-C424 VanDerWaalsContact C-N 3.27Å
423	G	55.4	Low	68.3	Low	76 Å²	76	83.1 Å²	83.1	78%	0.784	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.2	169.8	0	0	0	0	0	113.7	H421	H421-G423 PolarHBondContact O-N 3.49Å; H421-G423 VanDerWaalsContact O-N 3.12Å
424	C	48.5	Very low	67.8	Low	70 Å²	70	79.7 Å²	79.7	47%	0.473	45%	0.451	S	S	.	.	S	Bend	trans	-98.7	136.2	171.5	-56.9	0	0	0	0	107.7	H421 S422 T426	H421-C424 CarbonylContact O-C 3.57Å; H421-C424 WeakPolarHBondContact O-CA 3.4Å; H421-C424 WeakPolarHBondContact O-CB 3.27Å; H421-C424 PolarHBondContact O-N 3.47Å; S422-C424 VanDerWaalsContact C-N 3.27Å; C424-T426 WeakPolarHBondContact CB-OG1 3.4Å; C424-T426 PolarHBondContact O-N 3.06Å
425	D	50.2	Low	67.9	Low	175 Å²	175	82.1 Å²	82.1	94%	0.936	47%	0.47	S	S	*	.	S	Bend	trans	-61.5	2.5	175.4	-70.3	-42.2	0	0	0	113.9	N427	D425-N427 PolarHBondContact O-N 3.44Å
426	T	50.2	Low	67.9	Low	85 Å²	85	77.7 Å²	77.7	52%	0.521	45%	0.449	S	S	.	.			trans	-79.6	95.7	174.8	56.3	0	0	0	0	109.6	C424	C424-T426 WeakPolarHBondContact CB-OG1 3.4Å; C424-T426 PolarHBondContact O-N 3.06Å
427	N	56.8	Low	68	Low	84 Å²	84	72.5 Å²	72.5	45%	0.449	42%	0.421	S	S	.	.			trans	-42.5	144.3	154.1	-70.6	-47.3	0	0	0	109.2	D425 T429 M461 N464	D425-N427 PolarHBondContact O-N 3.44Å; N427-T429 PolarHBondContact O-N 3.03Å; N427-M461 HydrophobicContact CB-CG 4.2Å; N427-N464 PolarHBondContact OD1-ND2 3.25Å; N427-N464 VanDerWaalsContact OD1-ND2 3.1Å
428	L	61.2	Low	68.2	Low	21 Å²	21	69.9 Å²	69.9	11%	0.11	41%	0.413	C	S	.	.			trans	-46.6	131	174	-87	93.8	0	0	0	109.6	F414 F418 A432 I433	F414-L428 HydrophobicContact CE2-CD2 3.67Å; F414-L428 HydrophobicContact CZ-CD2 4.31Å; F418-L428 HydrophobicContact CD2-CD1 3.27Å; F418-L428 HydrophobicContact CE2-CD1 3.67Å; F418-L428 HydrophobicContact CG-CD1 4.31Å; L428-A432 HydrophobicContact CB-CB 4.42Å; L428-A432 HydrophobicContact CD2-CB 4.04Å; L428-A432 HydrophobicContact CG-CB 4.48Å; L428-I433 HydrophobicContact CB-CD1 4.36Å; L428-I433 HydrophobicContact CB-CG1 4.07Å; L428-I433 HydrophobicContact CD2-CG1 4.35Å
429	T	69	Low	68.8	Low	82 Å²	82	70 Å²	70	50%	0.503	42%	0.416	S	S	.	.			trans	-65.9	153.8	176.2	58	0	0	0	0	109.3	N427 E431 A432 I433	N427-T429 PolarHBondContact O-N 3.03Å; T429-E431 PolarHBondContact O-N 3.47Å; T429-E431 VanDerWaalsContact O-N 3.08Å; T429-A432 PolarHBondContact O-N 3.05Å; T429-A432 PolarHBondContact OG1-N 3.39Å; T429-I433 PolarHBondContact O-N 3.23Å; T429-I433 VanDerWaalsContact O-N 3.1Å
430	S	71.8	Confident	69.4	Low	56 Å²	56	65.7 Å²	65.7	39%	0.392	39%	0.39	S	S	.	.	H	α-helix	trans	-56.9	-25.6	173.7	-170.1	0	0	0	0	112.2	S434	S430-S434 WeakPolarHBondContact O-CB 3.36Å; S430-S434 PolarHBondContact O-N 3.06Å; S430-S434 VanDerWaalsContact O-N 3.08Å
431	E	75.9	Confident	70.2	Confident	155 Å²	155	61.9 Å²	61.9	72%	0.724	37%	0.371	S	S	*	.	H	α-helix	trans	-73.2	-39.2	174.2	-65.7	177.4	-176.4	0	0	112.7	T429 I433 S434 S435	T429-E431 PolarHBondContact O-N 3.47Å; T429-E431 VanDerWaalsContact O-N 3.08Å; E431-I433 VanDerWaalsContact C-N 3.35Å; E431-S434 WeakPolarHBondContact CA-OG 3.49Å; E431-S434 PolarHBondContact O-N 3.41Å; E431-S434 PolarHBondContact O-OG 3.4Å; E431-S435 PolarHBondContact O-N 3.18Å
432	A	78.7	Confident	71.4	Confident	26 Å²	26	66 Å²	66	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-66.4	-39.5	175.1	0	0	0	0	0	111.1	L428 T429 S434 S435 W436	L428-A432 HydrophobicContact CB-CB 4.42Å; L428-A432 HydrophobicContact CD2-CB 4.04Å; L428-A432 HydrophobicContact CG-CB 4.48Å; T429-A432 PolarHBondContact O-N 3.05Å; T429-A432 PolarHBondContact OG1-N 3.39Å; A432-S434 VanDerWaalsContact C-N 3.28Å; A432-S434 PolarHBondContact O-N 3.16Å; A432-S435 PolarHBondContact O-N 3.26Å; A432-S435 PolarHBondContact O-OG 2.83Å; A432-W436 WeakPolarHBondContact O-CB 3.44Å; A432-W436 PolarHBondContact O-N 3.48Å; A432-W436 VanDerWaalsContact O-N 3.08Å
433	I	76.7	Confident	72.5	Confident	1 Å²	1	67.1 Å²	67.1	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-38	174	-65.6	172.7	0	0	0	110.4	L428 T429 E431 W436 V437 I457 A458 M461 W485	L428-I433 HydrophobicContact CB-CD1 4.36Å; L428-I433 HydrophobicContact CB-CG1 4.07Å; L428-I433 HydrophobicContact CD2-CG1 4.35Å; T429-I433 PolarHBondContact O-N 3.23Å; T429-I433 VanDerWaalsContact O-N 3.1Å; E431-I433 VanDerWaalsContact C-N 3.35Å; I433-W436 PolarHBondContact O-N 3.07Å; I433-V437 HydrophobicContact CG2-CG2 4.11Å; I433-V437 WeakPolarHBondContact O-CB 3.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.39Å; I433-V437 PolarHBondContact O-N 3.47Å; I433-I457 HydrophobicContact CG2-CG2 4.42Å; I433-A458 HydrophobicContact CG2-CB 4.14Å; I433-M461 HydrophobicContact CD1-CB 3.77Å; I433-M461 HydrophobicContact CD1-CE 4.14Å; I433-M461 HydrophobicContact CD1-CG 4.04Å; I433-M461 HydrophobicContact CD1-SD 3.25Å; I433-M461 WeakPolarHBondContact CD1-SD 3.26Å; I433-W485 HydrophobicContact CD1-CH2 4.23Å; I433-W485 HydrophobicContact CD1-CZ2 3.76Å; I433-W485 HydrophobicContact CG2-CZ2 4.49Å
434	S	77	Confident	73.7	Confident	39 Å²	39	63.7 Å²	63.7	27%	0.273	35%	0.35	S	S	.	.	H	α-helix	trans	-69.3	-34.3	-178.8	76.1	0	0	0	0	113	S430 E431 A432 S438 F488	S430-S434 WeakPolarHBondContact O-CB 3.36Å; S430-S434 PolarHBondContact O-N 3.06Å; S430-S434 VanDerWaalsContact O-N 3.08Å; E431-S434 WeakPolarHBondContact CA-OG 3.49Å; E431-S434 PolarHBondContact O-N 3.41Å; E431-S434 PolarHBondContact O-OG 3.4Å; A432-S434 VanDerWaalsContact C-N 3.28Å; A432-S434 PolarHBondContact O-N 3.16Å; S434-S438 VanDerWaalsContact O-CB 3.32Å; S434-S438 WeakPolarHBondContact O-CB 3.47Å; S434-S438 PolarHBondContact O-N 2.99Å; S434-S438 VanDerWaalsContact O-N 3.14Å; S434-S438 PolarHBondContact O-OG 3.46Å; S434-F488 WeakPolarHBondContact O-CZ 3.39Å
435	S	83.5	Confident	75.1	Confident	68 Å²	68	63.1 Å²	63.1	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-67.2	-46.1	171.7	67.2	0	0	0	0	111.2	E431 A432 S438 L439	E431-S435 PolarHBondContact O-N 3.18Å; A432-S435 PolarHBondContact O-N 3.26Å; A432-S435 PolarHBondContact O-OG 2.83Å; S435-S438 PolarHBondContact O-N 2.66Å; S435-L439 WeakPolarHBondContact O-CB 3.49Å; S435-L439 PolarHBondContact O-N 3.15Å
436	W	83.6	Confident	76.6	Confident	13 Å²	13	61.2 Å²	61.2	5%	0.049	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-45	180	-88	112.7	0	0	0	113.7	K413 F414 E417 A432 I433 S438 L439 I440 I457	K413-W436 HydrophobicContact CB-CH2 3.81Å; F414-W436 HydrophobicContact CB-CD2 4.43Å; F414-W436 HydrophobicContact CB-CE3 4.32Å; F414-W436 HydrophobicContact CB-CH2 4.02Å; F414-W436 HydrophobicContact CB-CZ2 4.11Å; F414-W436 HydrophobicContact CB-CZ3 4.12Å; F414-W436 AromaticContact CD2-CD1 3.9Å; F414-W436 AromaticContact CD2-CD2 3.81Å; F414-W436 HydrophobicContact CD2-CD2 3.81Å; F414-W436 AromaticContact CD2-CE2 3.77Å; F414-W436 HydrophobicContact CD2-CE3 4.41Å; F414-W436 AromaticContact CD2-CG 3.9Å; F414-W436 HydrophobicContact CD2-CG 3.9Å; F414-W436 HydrophobicContact CD2-CZ2 4.32Å; F414-W436 AromaticContact CD2-NE1 3.84Å; F414-W436 HydrophobicContact CE2-CG 4.34Å; E417-W436 HydrophobicContact CB-CZ2 4.4Å; E417-W436 HydrophobicContact CG-CZ2 4.16Å; E417-W436 VanDerWaalsContact OE2-CE2 3.29Å; E417-W436 WeakPolarHBondContact OE2-CZ2 3.34Å; E417-W436 PolarHBondContact OE2-NE1 2.9Å; A432-W436 WeakPolarHBondContact O-CB 3.44Å; A432-W436 PolarHBondContact O-N 3.48Å; A432-W436 VanDerWaalsContact O-N 3.08Å; I433-W436 PolarHBondContact O-N 3.07Å; W436-S438 VanDerWaalsContact C-N 3.3Å; W436-S438 PolarHBondContact O-N 3.33Å; W436-L439 HydrophobicContact CE3-CD1 4.47Å; W436-L439 HydrophobicContact CZ3-CD1 4.33Å; W436-L439 WeakPolarHBondContact O-CB 3.42Å; W436-L439 PolarHBondContact O-N 3.21Å; W436-I440 PolarHBondContact O-N 3.26Å; W436-I457 HydrophobicContact CB-CD1 3.92Å; W436-I457 HydrophobicContact CB-CG2 4.04Å; W436-I457 HydrophobicContact CD2-CD1 4.44Å; W436-I457 HydrophobicContact CE3-CD1 4.23Å; W436-I457 HydrophobicContact CG-CD1 4.36Å
437	V	82.9	Confident	78.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.3	-34.1	176.7	167	0	0	0	0	111.1	I433 R441 M454 F488 F489	I433-V437 HydrophobicContact CG2-CG2 4.11Å; I433-V437 WeakPolarHBondContact O-CB 3.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.39Å; I433-V437 PolarHBondContact O-N 3.47Å; V437-R441 WeakPolarHBondContact O-CB 3.37Å; V437-R441 PolarHBondContact O-N 2.99Å; V437-M454 HydrophobicContact CG1-CB 4.43Å; V437-M454 HydrophobicContact CG1-CG 4.05Å; V437-M454 HydrophobicContact CG1-SD 3.64Å; V437-F488 HydrophobicContact CB-CE1 3.38Å; V437-F488 HydrophobicContact CB-CZ 3.55Å; V437-F488 HydrophobicContact CG1-CD1 4.33Å; V437-F488 HydrophobicContact CG1-CE1 3.29Å; V437-F488 HydrophobicContact CG1-CZ 3.55Å; V437-F488 HydrophobicContact CG2-CE1 3.91Å; V437-F489 HydrophobicContact CG1-CD1 4.01Å; V437-F489 HydrophobicContact CG1-CE1 3.94Å; V437-F489 HydrophobicContact CG2-CE1 3.81Å; V437-F489 HydrophobicContact CG2-CZ 4.42Å
438	S	83.3	Confident	79.3	Confident	38 Å²	38	60.6 Å²	60.6	27%	0.266	34%	0.338	S	S	.	.	H	α-helix	trans	-66.6	-39	173.3	-62.4	0	0	0	0	112.1	S434 S435 W436 R441 E442	S434-S438 VanDerWaalsContact O-CB 3.32Å; S434-S438 WeakPolarHBondContact O-CB 3.47Å; S434-S438 PolarHBondContact O-N 2.99Å; S434-S438 VanDerWaalsContact O-N 3.14Å; S434-S438 PolarHBondContact O-OG 3.46Å; S435-S438 PolarHBondContact O-N 2.66Å; W436-S438 VanDerWaalsContact C-N 3.3Å; W436-S438 PolarHBondContact O-N 3.33Å; S438-R441 VanDerWaalsContact CB-NH2 3.32Å; S438-R441 PolarHBondContact O-N 3.39Å; S438-R441 PolarHBondContact OG-NH2 2.85Å; S438-E442 PolarHBondContact O-N 3.17Å
439	L	85.2	Confident	80.3	Confident	62 Å²	62	65 Å²	65	33%	0.325	36%	0.358	S	S	.	.	H	α-helix	trans	-65	-47	175.4	-166.6	162.9	0	0	0	111.4	L410 S435 W436 R441 E442 E443	L410-L439 HydrophobicContact CD1-CD2 3.71Å; L410-L439 HydrophobicContact CD2-CD2 3.43Å; L410-L439 VanDerWaalsContact CD2-CD2 3.43Å; L410-L439 HydrophobicContact CG-CD2 4.16Å; S435-L439 WeakPolarHBondContact O-CB 3.49Å; S435-L439 PolarHBondContact O-N 3.15Å; W436-L439 HydrophobicContact CE3-CD1 4.47Å; W436-L439 HydrophobicContact CZ3-CD1 4.33Å; W436-L439 WeakPolarHBondContact O-CB 3.42Å; W436-L439 PolarHBondContact O-N 3.21Å; L439-R441 VanDerWaalsContact C-N 3.29Å; L439-R441 PolarHBondContact O-N 3.17Å; L439-E442 PolarHBondContact O-N 3.13Å; L439-E443 HydrophobicContact CD2-CG 3.96Å; L439-E443 PolarHBondContact O-N 3.14Å
440	I	83.9	Confident	81	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-58.4	-43.9	174.5	-72.8	-174.4	0	0	0	110.7	W436 E442 E443 C444 M450 L453 M454 I457	W436-I440 PolarHBondContact O-N 3.26Å; I440-E442 VanDerWaalsContact C-N 3.28Å; I440-E442 PolarHBondContact O-N 3.02Å; I440-E443 PolarHBondContact O-N 3.31Å; I440-C444 HydrophobicContact CG2-CB 4.1Å; I440-C444 WeakPolarHBondContact O-CA 3.39Å; I440-C444 WeakPolarHBondContact O-CB 3.01Å; I440-C444 PolarHBondContact O-N 3.49Å; I440-M450 HydrophobicContact CG2-CG 4.16Å; I440-L453 HydrophobicContact CD1-CB 4.32Å; I440-L453 HydrophobicContact CG2-CB 4.37Å; I440-M454 HydrophobicContact CB-CG 4.45Å; I440-M454 HydrophobicContact CG2-CG 3.83Å; I440-I457 HydrophobicContact CD1-CD1 3.26Å; I440-I457 HydrophobicContact CD1-CG1 3.88Å; I440-I457 HydrophobicContact CG1-CD1 4.16Å
441	R	83	Confident	81.6	Confident	82 Å²	82	60.8 Å²	60.8	31%	0.309	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-37.7	179.4	-177.7	177.1	60.3	-111.5	-6	112.1	V437 S438 L439 A445	V437-R441 WeakPolarHBondContact O-CB 3.37Å; V437-R441 PolarHBondContact O-N 2.99Å; S438-R441 VanDerWaalsContact CB-NH2 3.32Å; S438-R441 PolarHBondContact O-N 3.39Å; S438-R441 PolarHBondContact OG-NH2 2.85Å; L439-R441 VanDerWaalsContact C-N 3.29Å; L439-R441 PolarHBondContact O-N 3.17Å; R441-A445 WeakPolarHBondContact O-CB 3.39Å
442	E	84.3	Confident	82.1	Confident	163 Å²	163	56.2 Å²	56.2	76%	0.762	31%	0.311	S	S	*	.	H	α-helix	trans	-72.2	-44.9	178.8	-172.8	168.6	-169.8	0	0	112.2	S438 L439 I440	S438-E442 PolarHBondContact O-N 3.17Å; L439-E442 PolarHBondContact O-N 3.13Å; I440-E442 VanDerWaalsContact C-N 3.28Å; I440-E442 PolarHBondContact O-N 3.02Å
443	E	81.6	Confident	82.4	Confident	106 Å²	106	56.4 Å²	56.4	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-87.3	-27.1	-172.9	-67.5	-69.3	164.3	0	0	113.9	L410 L439 I440	L410-E443 HydrophobicContact CD1-CB 3.6Å; L410-E443 HydrophobicContact CD1-CG 4.09Å; L439-E443 HydrophobicContact CD2-CG 3.96Å; L439-E443 PolarHBondContact O-N 3.14Å; I440-E443 PolarHBondContact O-N 3.31Å
444	C	81.3	Confident	82.7	Confident	4 Å²	4	56.4 Å²	56.4	3%	0.027	31%	0.309	C	S	.	.	S	Bend	trans	-118	19.3	-171.1	-63.1	0	0	0	0	113.5	I440 N446 L447 M450	I440-C444 HydrophobicContact CG2-CB 4.1Å; I440-C444 WeakPolarHBondContact O-CA 3.39Å; I440-C444 WeakPolarHBondContact O-CB 3.01Å; I440-C444 PolarHBondContact O-N 3.49Å; C444-N446 PolarHBondContact O-N 3.3Å; C444-N446 VanDerWaalsContact O-N 3.11Å; C444-L447 HydrophobicContact CB-CD1 3.8Å; C444-L447 HydrophobicContact CB-CG 4.49Å; C444-L447 WeakPolarHBondContact O-CB 3.39Å; C444-L447 PolarHBondContact O-N 2.73Å; C444-M450 HydrophobicContact CB-CG 4.41Å; C444-M450 WeakPolarHBondContact O-CG 2.98Å
445	A	77.9	Confident	83.1	Confident	58 Å²	58	54.6 Å²	54.6	48%	0.479	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.1	-175.4	0	0	0	0	0	114.5	R441 L447	R441-A445 WeakPolarHBondContact O-CB 3.39Å; A445-L447 VanDerWaalsContact C-N 3.35Å
446	N	80	Confident	83.1	Confident	136 Å²	136	54.3 Å²	54.3	73%	0.727	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6	-175.7	-63.3	-16.4	0	0	0	113.6	C444	C444-N446 PolarHBondContact O-N 3.3Å; C444-N446 VanDerWaalsContact O-N 3.11Å
447	L	81.8	Confident	83.1	Confident	24 Å²	24	54.3 Å²	54.3	13%	0.126	30%	0.295	C	S	.	.			trans	-81.1	129.3	-178.7	-73	172.2	0	0	0	110.7	Q403 L404 A407 C444 A445 E449 M450 L453	Q403-L447 HydrophobicContact CB-CD2 4Å; Q403-L447 HydrophobicContact CB-CG 4.49Å; L404-L447 HydrophobicContact CD2-CD2 3.87Å; L404-L447 HydrophobicContact CG-CD2 4.39Å; A407-L447 HydrophobicContact CB-CD1 3.64Å; C444-L447 HydrophobicContact CB-CD1 3.8Å; C444-L447 HydrophobicContact CB-CG 4.49Å; C444-L447 WeakPolarHBondContact O-CB 3.39Å; C444-L447 PolarHBondContact O-N 2.73Å; A445-L447 VanDerWaalsContact C-N 3.35Å; L447-E449 PolarHBondContact O-N 3Å; L447-M450 HydrophobicContact CB-CB 4.41Å; L447-M450 WeakPolarHBondContact O-CB 3.43Å; L447-M450 PolarHBondContact O-N 2.91Å; L447-M450 VanDerWaalsContact O-N 3.09Å; L447-L453 HydrophobicContact CD1-CD1 4.5Å
448	V	82.9	Confident	83	Confident	132 Å²	132	54.3 Å²	54.3	80%	0.8	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-36.1	175.6	179.7	0	0	0	0	111.4	M450 P451	V448-M450 PolarHBondContact O-N 3.22Å; V448-P451 WeakPolarHBondContact O-CD 3.45Å
449	E	82.2	Confident	83.1	Confident	113 Å²	113	57.1 Å²	57.1	53%	0.528	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.6	-179.3	-59.5	-60.6	164.7	0	0	114	L447 P451 V452 L453	L447-E449 PolarHBondContact O-N 3Å; E449-P451 VanDerWaalsContact C-CD 3.44Å; E449-P451 VanDerWaalsContact C-N 3.34Å; E449-V452 WeakPolarHBondContact O-CA 3.45Å; E449-V452 WeakPolarHBondContact O-CB 3.32Å; E449-V452 PolarHBondContact O-N 2.65Å; E449-L453 PolarHBondContact O-N 3.17Å
450	M	83.5	Confident	83	Confident	21 Å²	21	56 Å²	56	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-52.7	-42.2	-177.6	-174.2	-82.4	-76.9	0	0	113.5	I440 C444 L447 V448 V452 L453 M454	I440-M450 HydrophobicContact CG2-CG 4.16Å; C444-M450 HydrophobicContact CB-CG 4.41Å; C444-M450 WeakPolarHBondContact O-CG 2.98Å; L447-M450 HydrophobicContact CB-CB 4.41Å; L447-M450 WeakPolarHBondContact O-CB 3.43Å; L447-M450 PolarHBondContact O-N 2.91Å; L447-M450 VanDerWaalsContact O-N 3.09Å; V448-M450 PolarHBondContact O-N 3.22Å; M450-V452 VanDerWaalsContact C-N 3.31Å; M450-V452 PolarHBondContact O-N 3.03Å; M450-L453 PolarHBondContact O-N 3Å; M450-M454 HydrophobicContact CE-CE 4.2Å; M450-M454 WeakPolarHBondContact O-CG 3.39Å; M450-M454 PolarHBondContact O-N 3.35Å; M450-M454 HydrophobicContact SD-CE 3.24Å; M450-M454 WeakPolarHBondContact SD-CE 3.45Å; M450-M454 HydrophobicContact SD-CG 3.81Å; M450-M454 HydrophobicContact SD-SD 3.4Å
451	P	83.5	Confident	82.9	Confident	29 Å²	29	56.6 Å²	56.6	19%	0.188	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-39	174.6	-24.4	35.6	0	0	0	113.8	V448 E449 A455 C493 A494	V448-P451 WeakPolarHBondContact O-CD 3.45Å; E449-P451 VanDerWaalsContact C-CD 3.44Å; E449-P451 VanDerWaalsContact C-N 3.34Å; P451-A455 WeakPolarHBondContact O-CB 3.47Å; P451-A455 PolarHBondContact O-N 2.86Å; P451-C493 HydrophobicContact CB-CB 4.11Å; P451-C493 HydrophobicContact CG-CB 4.31Å; P451-A494 HydrophobicContact CB-CB 4Å; P451-A494 WeakPolarHBondContact O-CB 3.13Å
452	V	87.4	Confident	83.1	Confident	58 Å²	58	52.7 Å²	52.7	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-70.5	-38.7	179.4	-178.7	0	0	0	0	110.6	E449 M450 A455 S456	E449-V452 WeakPolarHBondContact O-CA 3.45Å; E449-V452 WeakPolarHBondContact O-CB 3.32Å; E449-V452 PolarHBondContact O-N 2.65Å; M450-V452 VanDerWaalsContact C-N 3.31Å; M450-V452 PolarHBondContact O-N 3.03Å; V452-A455 PolarHBondContact O-N 3.35Å; V452-S456 WeakPolarHBondContact O-CB 3.45Å; V452-S456 PolarHBondContact O-N 3.02Å; V452-S456 PolarHBondContact O-OG 2.95Å
453	L	84.4	Confident	83.2	Confident	31 Å²	31	47.1 Å²	47.1	16%	0.162	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-47.1	175.6	-67.7	178.3	0	0	0	111.9	A407 I411 I440 L447 E449 M450 A455 S456 I457	A407-L453 HydrophobicContact CB-CD1 4.18Å; I411-L453 HydrophobicContact CD1-CD2 3.67Å; I411-L453 HydrophobicContact CG1-CD2 4.34Å; I440-L453 HydrophobicContact CD1-CB 4.32Å; I440-L453 HydrophobicContact CG2-CB 4.37Å; L447-L453 HydrophobicContact CD1-CD1 4.5Å; E449-L453 PolarHBondContact O-N 3.17Å; M450-L453 PolarHBondContact O-N 3Å; L453-A455 VanDerWaalsContact C-N 3.3Å; L453-A455 PolarHBondContact O-N 3.03Å; L453-S456 PolarHBondContact O-N 3.33Å; L453-S456 VanDerWaalsContact O-N 3.16Å; L453-I457 PolarHBondContact O-N 2.94Å
454	M	83.8	Confident	83.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-42.4	175.3	-70.7	-167	-52.5	0	0	111.6	V437 I440 M450 S456 F489 N491 A494	V437-M454 HydrophobicContact CG1-CB 4.43Å; V437-M454 HydrophobicContact CG1-CG 4.05Å; V437-M454 HydrophobicContact CG1-SD 3.64Å; I440-M454 HydrophobicContact CB-CG 4.45Å; I440-M454 HydrophobicContact CG2-CG 3.83Å; M450-M454 HydrophobicContact CE-CE 4.2Å; M450-M454 WeakPolarHBondContact O-CG 3.39Å; M450-M454 PolarHBondContact O-N 3.35Å; M450-M454 HydrophobicContact SD-CE 3.24Å; M450-M454 WeakPolarHBondContact SD-CE 3.45Å; M450-M454 HydrophobicContact SD-CG 3.81Å; M450-M454 HydrophobicContact SD-SD 3.4Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-S456 PolarHBondContact O-N 3.4Å; M454-F489 HydrophobicContact CB-CD1 4.18Å; M454-F489 HydrophobicContact CB-CE1 3.91Å; M454-F489 HydrophobicContact CE-CD1 4.31Å; M454-F489 HydrophobicContact SD-CD1 4.4Å; M454-N491 HydrophobicContact CE-CB 4.14Å; M454-A494 HydrophobicContact CB-CB 4.28Å; M454-A494 HydrophobicContact CE-CB 3.42Å; M454-A494 VanDerWaalsContact CE-CB 3.42Å
455	A	85.8	Confident	83.4	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-40.5	175.2	0	0	0	0	0	112.8	P451 V452 L453 I457 A458 R459 V497 I498	P451-A455 WeakPolarHBondContact O-CB 3.47Å; P451-A455 PolarHBondContact O-N 2.86Å; V452-A455 PolarHBondContact O-N 3.35Å; L453-A455 VanDerWaalsContact C-N 3.3Å; L453-A455 PolarHBondContact O-N 3.03Å; A455-I457 VanDerWaalsContact C-N 3.34Å; A455-I457 PolarHBondContact O-N 3.15Å; A455-A458 PolarHBondContact O-N 3.45Å; A455-R459 VanDerWaalsContact O-CB 3.32Å; A455-R459 WeakPolarHBondContact O-CB 3.45Å; A455-R459 PolarHBondContact O-N 3.44Å; A455-V497 HydrophobicContact CB-CB 3.96Å; A455-V497 HydrophobicContact CB-CG1 3.59Å; A455-I498 VanDerWaalsContact CA-CG1 3.49Å; A455-I498 HydrophobicContact CB-CD1 4.21Å; A455-I498 HydrophobicContact CB-CG1 3.45Å; A455-I498 VanDerWaalsContact CB-CG1 3.45Å
456	S	83.4	Confident	83.8	Confident	61 Å²	61	45.3 Å²	45.3	43%	0.427	25%	0.248	S	C	.	.	H	α-helix	trans	-66	-33.5	-177.2	-61.7	0	0	0	0	113	V452 L453 M454 P460	V452-S456 WeakPolarHBondContact O-CB 3.45Å; V452-S456 PolarHBondContact O-N 3.02Å; V452-S456 PolarHBondContact O-OG 2.95Å; L453-S456 PolarHBondContact O-N 3.33Å; L453-S456 VanDerWaalsContact O-N 3.16Å; M454-S456 VanDerWaalsContact C-N 3.34Å; M454-S456 PolarHBondContact O-N 3.4Å; S456-P460 WeakPolarHBondContact O-CD 3.22Å
457	I	82.3	Confident	84.1	Confident	14 Å²	14	41.8 Å²	41.8	7%	0.072	24%	0.238	C	C	.	.	H	α-helix	trans	-66.9	-41.5	174.9	-74.2	-158.8	0	0	0	111.8	F414 I433 W436 I440 L453 A455	F414-I457 HydrophobicContact CB-CD1 4.44Å; F414-I457 HydrophobicContact CD1-CG1 4.25Å; F414-I457 HydrophobicContact CD2-CD1 3.89Å; F414-I457 HydrophobicContact CD2-CG1 4.29Å; F414-I457 HydrophobicContact CD2-CG2 4.26Å; F414-I457 HydrophobicContact CE1-CG1 4.27Å; F414-I457 HydrophobicContact CE2-CB 4.38Å; F414-I457 HydrophobicContact CE2-CD1 4.27Å; F414-I457 HydrophobicContact CE2-CG1 4.31Å; F414-I457 HydrophobicContact CE2-CG2 3.65Å; F414-I457 HydrophobicContact CG-CD1 4.01Å; F414-I457 HydrophobicContact CG-CG1 4.25Å; F414-I457 HydrophobicContact CZ-CB 4.26Å; F414-I457 HydrophobicContact CZ-CG1 4.3Å; F414-I457 HydrophobicContact CZ-CG2 3.86Å; I433-I457 HydrophobicContact CG2-CG2 4.42Å; W436-I457 HydrophobicContact CB-CD1 3.92Å; W436-I457 HydrophobicContact CB-CG2 4.04Å; W436-I457 HydrophobicContact CD2-CD1 4.44Å; W436-I457 HydrophobicContact CE3-CD1 4.23Å; W436-I457 HydrophobicContact CG-CD1 4.36Å; I440-I457 HydrophobicContact CD1-CD1 3.26Å; I440-I457 HydrophobicContact CD1-CG1 3.88Å; I440-I457 HydrophobicContact CG1-CD1 4.16Å; L453-I457 PolarHBondContact O-N 2.94Å; A455-I457 VanDerWaalsContact C-N 3.34Å; A455-I457 PolarHBondContact O-N 3.15Å
458	A	81.6	Confident	84.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-79.4	-26.2	-176.1	0	0	0	0	0	112.7	I433 A455 M461 L462 W485 F489 I498	I433-A458 HydrophobicContact CG2-CB 4.14Å; A455-A458 PolarHBondContact O-N 3.45Å; A458-M461 PolarHBondContact O-N 2.88Å; A458-L462 PolarHBondContact O-N 3.47Å; A458-W485 HydrophobicContact CB-CE3 4.3Å; A458-W485 HydrophobicContact CB-CH2 3.69Å; A458-W485 HydrophobicContact CB-CZ2 4.37Å; A458-W485 HydrophobicContact CB-CZ3 3.66Å; A458-F489 HydrophobicContact CB-CZ 3.91Å; A458-I498 HydrophobicContact CB-CD1 3.93Å
459	R	86.2	Confident	84.4	Confident	96 Å²	96	45.1 Å²	45.1	36%	0.362	24%	0.24	S	C	.	.	H	α-helix	trans	-55.6	-49.2	-174.2	178.5	174.9	-163.5	-62.2	-19.3	114.6	A455 M461 L462 D463	A455-R459 VanDerWaalsContact O-CB 3.32Å; A455-R459 WeakPolarHBondContact O-CB 3.45Å; A455-R459 PolarHBondContact O-N 3.44Å; R459-M461 VanDerWaalsContact C-N 3.3Å; R459-M461 PolarHBondContact O-N 3.48Å; R459-L462 PolarHBondContact O-N 3.01Å; R459-D463 IonicContact CZ-OD2 2.69Å; R459-D463 IonicContact NE-OD2 2.67Å; R459-D463 IonicContact NH1-OD2 2.68Å; R459-D463 PolarHBondContact NH1-OD2 3.41Å; R459-D463 IonicContact NH2-OD1 3.41Å; R459-D463 IonicContact NH2-OD2 2.8Å; R459-D463 PolarHBondContact NH2-OD2 3.26Å; R459-D463 WeakPolarHBondContact O-CB 3.43Å; R459-D463 PolarHBondContact O-N 3.33Å
460	P	82.7	Confident	84.7	Confident	40 Å²	40	41.6 Å²	41.6	26%	0.26	23%	0.225	S	C	.	.	H	α-helix	trans	-59.2	-39.1	-179.3	-25.1	33.6	0	0	0	113.4	F418 S456 N464	F418-P460 HydrophobicContact CE2-CB 3.87Å; F418-P460 HydrophobicContact CZ-CB 4.06Å; S456-P460 WeakPolarHBondContact O-CD 3.22Å; P460-N464 WeakPolarHBondContact O-CB 3.5Å; P460-N464 PolarHBondContact O-N 2.8Å
461	M	82	Confident	85	Confident	19 Å²	19	40.7 Å²	40.7	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-66.2	-45	178.6	-165.9	-157.5	81.1	0	0	110.9	N427 I433 A458 R459 N464 S465 L481 W485	N427-M461 HydrophobicContact CB-CG 4.2Å; I433-M461 HydrophobicContact CD1-CB 3.77Å; I433-M461 HydrophobicContact CD1-CE 4.14Å; I433-M461 HydrophobicContact CD1-CG 4.04Å; I433-M461 HydrophobicContact CD1-SD 3.25Å; I433-M461 WeakPolarHBondContact CD1-SD 3.26Å; A458-M461 PolarHBondContact O-N 2.88Å; R459-M461 VanDerWaalsContact C-N 3.3Å; R459-M461 PolarHBondContact O-N 3.48Å; M461-N464 PolarHBondContact O-N 3.04Å; M461-S465 PolarHBondContact O-N 2.66Å; M461-L481 HydrophobicContact CE-CD1 4.26Å; M461-L481 HydrophobicContact CE-CD2 3.66Å; M461-L481 HydrophobicContact CE-CG 4.44Å; M461-W485 HydrophobicContact CE-CH2 3.46Å; M461-W485 VanDerWaalsContact CE-CH2 3.46Å; M461-W485 HydrophobicContact CE-CZ2 3.14Å; M461-W485 HydrophobicContact SD-CZ2 4.07Å
462	L	85.6	Confident	85.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-42.7	179.5	-174.5	63.4	0	0	0	111.6	A458 R459 N464 S465 L466 L482 W485 I498	A458-L462 PolarHBondContact O-N 3.47Å; R459-L462 PolarHBondContact O-N 3.01Å; L462-N464 VanDerWaalsContact C-N 3.29Å; L462-N464 PolarHBondContact O-N 2.82Å; L462-S465 PolarHBondContact O-N 3.41Å; L462-S465 PolarHBondContact O-OG 2.94Å; L462-L466 HydrophobicContact CD1-CD1 3.84Å; L462-L466 HydrophobicContact CD1-CD2 4.31Å; L462-L466 HydrophobicContact CD1-CG 3.91Å; L462-L466 HydrophobicContact CD2-CD1 4.26Å; L462-L466 HydrophobicContact CG-CD1 3.66Å; L462-L466 HydrophobicContact CG-CG 4.1Å; L462-L466 WeakPolarHBondContact O-CB 3.12Å; L462-L466 WeakPolarHBondContact O-CG 3.42Å; L462-L466 PolarHBondContact O-N 3.07Å; L462-L482 HydrophobicContact CD1-CD1 4.33Å; L462-L482 HydrophobicContact CD1-CD2 4.14Å; L462-L482 HydrophobicContact CD1-CG 4.33Å; L462-L482 HydrophobicContact CD2-CD1 4.49Å; L462-L482 HydrophobicContact CD2-CD2 3.99Å; L462-W485 HydrophobicContact CB-CH2 4.15Å; L462-W485 HydrophobicContact CB-CZ3 3.99Å; L462-W485 HydrophobicContact CD2-CZ3 4.17Å; L462-W485 HydrophobicContact CG-CZ3 4.46Å; L462-I498 HydrophobicContact CD2-CG2 3.34Å
463	D	86.7	Confident	85.4	Confident	46 Å²	46	46.3 Å²	46.3	25%	0.246	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-41.9	175.5	-78.4	-3.6	0	0	0	111.2	R459 L466 A467 S502	R459-D463 IonicContact CZ-OD2 2.69Å; R459-D463 IonicContact NE-OD2 2.67Å; R459-D463 IonicContact NH1-OD2 2.68Å; R459-D463 PolarHBondContact NH1-OD2 3.41Å; R459-D463 IonicContact NH2-OD1 3.41Å; R459-D463 IonicContact NH2-OD2 2.8Å; R459-D463 PolarHBondContact NH2-OD2 3.26Å; R459-D463 WeakPolarHBondContact O-CB 3.43Å; R459-D463 PolarHBondContact O-N 3.33Å; D463-L466 PolarHBondContact O-N 3.01Å; D463-A467 WeakPolarHBondContact O-CB 3.48Å; D463-A467 PolarHBondContact O-N 3.42Å; D463-S502 WeakPolarHBondContact OD1-CB 3.21Å; D463-S502 PolarHBondContact OD1-OG 3.32Å
464	N	84	Confident	85.7	Confident	88 Å²	88	50 Å²	50	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-40.3	176	-76.2	-7	0	0	0	112.4	N427 P460 M461 L462	N427-N464 PolarHBondContact OD1-ND2 3.25Å; N427-N464 VanDerWaalsContact OD1-ND2 3.1Å; P460-N464 WeakPolarHBondContact O-CB 3.5Å; P460-N464 PolarHBondContact O-N 2.8Å; M461-N464 PolarHBondContact O-N 3.04Å; L462-N464 VanDerWaalsContact C-N 3.29Å; L462-N464 PolarHBondContact O-N 2.82Å
465	S	83.4	Confident	86	Confident	31 Å²	31	51.3 Å²	51.3	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-70.6	-39.5	177.6	70.7	0	0	0	0	111.9	M461 L462 F477	M461-S465 PolarHBondContact O-N 2.66Å; L462-S465 PolarHBondContact O-N 3.41Å; L462-S465 PolarHBondContact O-OG 2.94Å; S465-F477 VanDerWaalsContact O-CE1 3.31Å; S465-F477 WeakPolarHBondContact O-CE1 3.24Å; S465-F477 WeakPolarHBondContact O-CZ 3.49Å
466	L	87.5	Confident	86.1	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-79.5	-14	-179.7	-60.1	177.7	0	0	0	113.5	L462 D463 K468 W469 F477 C478 A506	L462-L466 HydrophobicContact CD1-CD1 3.84Å; L462-L466 HydrophobicContact CD1-CD2 4.31Å; L462-L466 HydrophobicContact CD1-CG 3.91Å; L462-L466 HydrophobicContact CD2-CD1 4.26Å; L462-L466 HydrophobicContact CG-CD1 3.66Å; L462-L466 HydrophobicContact CG-CG 4.1Å; L462-L466 WeakPolarHBondContact O-CB 3.12Å; L462-L466 WeakPolarHBondContact O-CG 3.42Å; L462-L466 PolarHBondContact O-N 3.07Å; D463-L466 PolarHBondContact O-N 3.01Å; L466-K468 PolarHBondContact O-N 2.96Å; L466-K468 VanDerWaalsContact O-N 3.11Å; L466-W469 HydrophobicContact CD2-CD2 4.13Å; L466-W469 HydrophobicContact CD2-CE3 3.43Å; L466-W469 VanDerWaalsContact CD2-CE3 3.43Å; L466-W469 HydrophobicContact CD2-CZ3 3.87Å; L466-W469 HydrophobicContact CG-CE3 4.46Å; L466-W469 WeakPolarHBondContact O-CB 3.36Å; L466-W469 PolarHBondContact O-N 3.02Å; L466-F477 HydrophobicContact CD2-CD1 4.36Å; L466-F477 HydrophobicContact CD2-CE1 4.31Å; L466-C478 HydrophobicContact CD2-CB 4.2Å; L466-A506 HydrophobicContact CB-CB 4.48Å; L466-A506 HydrophobicContact CD1-CB 4.49Å
467	A	84.8	Confident	86.3	Confident	62 Å²	62	56 Å²	56	51%	0.512	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.6	-174.1	0	0	0	0	0	114.5	D463	D463-A467 WeakPolarHBondContact O-CB 3.48Å; D463-A467 PolarHBondContact O-N 3.42Å
468	K	81.5	Confident	86.5	Confident	206 Å²	206	56.2 Å²	56.2	90%	0.896	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	0.3	179.6	-64.8	179.4	-177	171.8	0	113.2	L466 N470	L466-K468 PolarHBondContact O-N 2.96Å; L466-K468 VanDerWaalsContact O-N 3.11Å; K468-N470 PolarHBondContact O-N 3.45Å
469	W	90.1	Very high	86.7	Confident	20 Å²	20	58 Å²	58	8%	0.076	30%	0.296	C	S	.	.			trans	-69.7	133	-176.5	177	42.2	0	0	0	110.8	L466 P471 E474 F477 W503 A506 I507 W530	L466-W469 HydrophobicContact CD2-CD2 4.13Å; L466-W469 HydrophobicContact CD2-CE3 3.43Å; L466-W469 VanDerWaalsContact CD2-CE3 3.43Å; L466-W469 HydrophobicContact CD2-CZ3 3.87Å; L466-W469 HydrophobicContact CG-CE3 4.46Å; L466-W469 WeakPolarHBondContact O-CB 3.36Å; L466-W469 PolarHBondContact O-N 3.02Å; W469-P471 HydrophobicContact CD2-CB 4.49Å; W469-P471 HydrophobicContact CD2-CG 3.83Å; W469-P471 HydrophobicContact CE3-CG 3.82Å; W469-P471 HydrophobicContact CH2-CB 4.07Å; W469-P471 HydrophobicContact CH2-CG 3.92Å; W469-P471 HydrophobicContact CZ2-CB 3.74Å; W469-P471 HydrophobicContact CZ2-CG 3.87Å; W469-P471 HydrophobicContact CZ3-CG 3.88Å; W469-E474 PolarHBondContact NE1-O 2.88Å; W469-F477 HydrophobicContact CB-CD1 3.72Å; W469-F477 HydrophobicContact CB-CE1 3.79Å; W469-F477 AromaticContact CD1-CD1 3.35Å; W469-F477 AromaticContact CD1-CG 3.6Å; W469-F477 AromaticContact CD2-CD1 3.83Å; W469-F477 HydrophobicContact CD2-CD1 3.83Å; W469-F477 HydrophobicContact CG-CB 4.29Å; W469-F477 AromaticContact CG-CD1 3.36Å; W469-F477 HydrophobicContact CG-CD1 3.36Å; W469-F477 AromaticContact CG-CE1 3.98Å; W469-F477 HydrophobicContact CG-CE1 3.98Å; W469-F477 HydrophobicContact CG-CG 4.09Å; W469-F477 HydrophobicContact CZ2-CB 4.48Å; W469-F477 VanDerWaalsContact NE1-CB 3.31Å; W469-F477 AromaticContact NE1-CD1 3.86Å; W469-F477 AromaticContact NE1-CG 3.92Å; W469-W503 AromaticContact CH2-NE1 3.76Å; W469-W503 AromaticContact CZ3-CD1 3.98Å; W469-A506 HydrophobicContact CE3-CB 4.19Å; W469-A506 HydrophobicContact CZ3-CB 4.38Å; W469-I507 HydrophobicContact CH2-CD1 4.05Å; W469-I507 HydrophobicContact CZ3-CD1 4.26Å; W469-W530 HydrophobicContact CH2-CZ2 4.02Å; W469-W530 HydrophobicContact CZ2-CZ2 4.41Å
470	N	88.9	Confident	86.7	Confident	40 Å²	40	59.3 Å²	59.3	21%	0.214	31%	0.31	C	S	.	.			trans	-111.5	102.7	165.6	-166.7	-32.2	0	0	0	109.7	K468 L472 K473 E474 E514	K468-N470 PolarHBondContact O-N 3.45Å; N470-L472 PolarHBondContact O-N 3.26Å; N470-L472 PolarHBondContact OD1-N 3.37Å; N470-L472 VanDerWaalsContact OD1-N 3.13Å; N470-K473 PolarHBondContact O-N 2.91Å; N470-K473 VanDerWaalsContact O-N 3.16Å; N470-E474 PolarHBondContact O-N 3.1Å; N470-E474 VanDerWaalsContact O-N 3.09Å; N470-E514 PolarHBondContact ND2-OE2 3.31Å
471	P	89.1	Confident	86.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-36.3	-179	-23.8	32.7	0	0	0	113.6	W469 K473 E474 I507 T510 V526	W469-P471 HydrophobicContact CD2-CB 4.49Å; W469-P471 HydrophobicContact CD2-CG 3.83Å; W469-P471 HydrophobicContact CE3-CG 3.82Å; W469-P471 HydrophobicContact CH2-CB 4.07Å; W469-P471 HydrophobicContact CH2-CG 3.92Å; W469-P471 HydrophobicContact CZ2-CB 3.74Å; W469-P471 HydrophobicContact CZ2-CG 3.87Å; W469-P471 HydrophobicContact CZ3-CG 3.88Å; P471-K473 PolarHBondContact O-N 2.92Å; P471-E474 CarbonylContact O-C 3.53Å; P471-E474 PolarHBondContact O-N 3.24Å; P471-I507 HydrophobicContact CB-CD1 3.83Å; P471-I507 HydrophobicContact CG-CD1 3.8Å; P471-T510 HydrophobicContact CG-CG2 3.75Å; P471-V526 HydrophobicContact CB-CG1 4.34Å; P471-V526 HydrophobicContact CB-CG2 4.09Å; P471-V526 WeakPolarHBondContact O-CG2 3.24Å
472	L	89.9	Confident	87	Confident	38 Å²	38	58.6 Å²	58.6	20%	0.199	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.4	-175.4	-59.4	178	0	0	0	113.1	N470 E514 W515 P522 L523	N470-L472 PolarHBondContact O-N 3.26Å; N470-L472 PolarHBondContact OD1-N 3.37Å; N470-L472 VanDerWaalsContact OD1-N 3.13Å; L472-E514 HydrophobicContact CD1-CB 4.39Å; L472-W515 HydrophobicContact CD1-CB 4.28Å; L472-P522 HydrophobicContact CB-CB 4.3Å; L472-P522 HydrophobicContact CD2-CB 4.23Å; L472-L523 HydrophobicContact CD2-CB 4.16Å; L472-L523 HydrophobicContact CD2-CD1 4.34Å
473	K	89.4	Confident	87	Confident	168 Å²	168	59.3 Å²	59.3	73%	0.73	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-34.4	176.7	-64.7	-176.5	-179.6	179.5	0	112.3	N470 P471	N470-K473 PolarHBondContact O-N 2.91Å; N470-K473 VanDerWaalsContact O-N 3.16Å; P471-K473 PolarHBondContact O-N 2.92Å
474	E	91.5	Very high	86.8	Confident	108 Å²	108	63.1 Å²	63.1	51%	0.505	33%	0.327	S	S	.	.			trans	-127.2	80.1	-176	-66.9	-179.6	178.7	0	0	109.6	W469 N470 P471 T476 F477	W469-E474 PolarHBondContact NE1-O 2.88Å; N470-E474 PolarHBondContact O-N 3.1Å; N470-E474 VanDerWaalsContact O-N 3.09Å; P471-E474 CarbonylContact O-C 3.53Å; P471-E474 PolarHBondContact O-N 3.24Å; E474-T476 VanDerWaalsContact C-N 3.29Å; E474-T476 PolarHBondContact O-N 2.69Å; E474-F477 HydrophobicContact CB-CB 4.2Å; E474-F477 PolarHBondContact O-N 2.8Å
475	P	88.9	Confident	86.8	Confident	27 Å²	27	59 Å²	59	18%	0.175	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.2	-173.1	24.2	-33.5	0	0	0	113.2	V526 W530	P475-V526 HydrophobicContact CB-CB 4.38Å; P475-V526 HydrophobicContact CB-CG2 3.76Å; P475-W530 PolarHBondContact O-NE1 3.21Å
476	T	88.7	Confident	86.8	Confident	91 Å²	91	62.6 Å²	62.6	56%	0.558	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	2.3	-174.5	54.9	0	0	0	0	114.4	E474 C478 L479 A529	E474-T476 VanDerWaalsContact C-N 3.29Å; E474-T476 PolarHBondContact O-N 2.69Å; T476-C478 PolarHBondContact O-N 2.78Å; T476-L479 WeakPolarHBondContact O-CB 3.39Å; T476-L479 PolarHBondContact O-N 3.13Å; T476-L479 VanDerWaalsContact O-N 3.11Å; T476-A529 HydrophobicContact CG2-CB 4.37Å
477	F	88.5	Confident	86.4	Confident	70 Å²	70	66.7 Å²	66.7	31%	0.307	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	133.3	-179.4	179.7	-101.6	0	0	0	111.5	S465 L466 W469 E474 L479 W530	S465-F477 VanDerWaalsContact O-CE1 3.31Å; S465-F477 WeakPolarHBondContact O-CE1 3.24Å; S465-F477 WeakPolarHBondContact O-CZ 3.49Å; L466-F477 HydrophobicContact CD2-CD1 4.36Å; L466-F477 HydrophobicContact CD2-CE1 4.31Å; W469-F477 HydrophobicContact CB-CD1 3.72Å; W469-F477 HydrophobicContact CB-CE1 3.79Å; W469-F477 AromaticContact CD1-CD1 3.35Å; W469-F477 AromaticContact CD1-CG 3.6Å; W469-F477 AromaticContact CD2-CD1 3.83Å; W469-F477 HydrophobicContact CD2-CD1 3.83Å; W469-F477 HydrophobicContact CG-CB 4.29Å; W469-F477 AromaticContact CG-CD1 3.36Å; W469-F477 HydrophobicContact CG-CD1 3.36Å; W469-F477 AromaticContact CG-CE1 3.98Å; W469-F477 HydrophobicContact CG-CE1 3.98Å; W469-F477 HydrophobicContact CG-CG 4.09Å; W469-F477 HydrophobicContact CZ2-CB 4.48Å; W469-F477 VanDerWaalsContact NE1-CB 3.31Å; W469-F477 AromaticContact NE1-CD1 3.86Å; W469-F477 AromaticContact NE1-CG 3.92Å; E474-F477 HydrophobicContact CB-CB 4.2Å; E474-F477 PolarHBondContact O-N 2.8Å; F477-L479 PolarHBondContact O-N 3.22Å; F477-L479 VanDerWaalsContact O-N 3.12Å; F477-W530 VanDerWaalsContact O-CZ2 3.28Å; F477-W530 WeakPolarHBondContact O-CZ2 3.45Å
478	C	84.9	Confident	85.8	Confident	20 Å²	20	66 Å²	66	14%	0.135	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	62	3.4	-173.9	-68.8	0	0	0	0	116.3	L466 T476 L481 L482	L466-C478 HydrophobicContact CD2-CB 4.2Å; T476-C478 PolarHBondContact O-N 2.78Å; C478-L481 PolarHBondContact O-N 2.89Å; C478-L482 PolarHBondContact O-N 3.44Å
479	L	86.8	Confident	85.5	Confident	37 Å²	37	56.3 Å²	56.3	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-47.3	179.2	-169.4	158.3	0	0	0	111.1	T476 F477 L481 L482 G483 A529 W530 L533	T476-L479 WeakPolarHBondContact O-CB 3.39Å; T476-L479 PolarHBondContact O-N 3.13Å; T476-L479 VanDerWaalsContact O-N 3.11Å; F477-L479 PolarHBondContact O-N 3.22Å; F477-L479 VanDerWaalsContact O-N 3.12Å; L479-L481 PolarHBondContact O-N 3Å; L479-L482 PolarHBondContact O-N 2.78Å; L479-G483 PolarHBondContact O-N 3.47Å; L479-A529 HydrophobicContact CD1-CB 4.09Å; L479-A529 WeakPolarHBondContact CD1-O 3.35Å; L479-W530 HydrophobicContact CB-CH2 4.08Å; L479-W530 HydrophobicContact CB-CZ2 3.96Å; L479-W530 HydrophobicContact CD1-CD2 4.49Å; L479-L533 HydrophobicContact CD2-CD1 4.2Å; L479-L533 HydrophobicContact CG-CD1 4.07Å
480	D	85.5	Confident	84.4	Confident	123 Å²	123	63 Å²	63	66%	0.658	31%	0.311	S	S	*	.	H	α-helix	trans	-62.6	-43.2	177.6	-63.1	-29	0	0	0	111.4	L482 G483 H484	D480-L482 PolarHBondContact O-N 3.32Å; D480-G483 PolarHBondContact O-N 3.09Å; D480-H484 PolarHBondContact O-N 2.9Å; D480-H484 PolarHBondContact O-ND1 3.48Å
481	L	84.4	Confident	83.4	Confident	45 Å²	45	64.1 Å²	64.1	24%	0.236	32%	0.317	C	S	.	.	H	α-helix	trans	-59.3	-48.9	178.2	177	66.8	0	0	0	111.2	M461 C478 L479 G483 H484 W485	M461-L481 HydrophobicContact CE-CD1 4.26Å; M461-L481 HydrophobicContact CE-CD2 3.66Å; M461-L481 HydrophobicContact CE-CG 4.44Å; C478-L481 PolarHBondContact O-N 2.89Å; L479-L481 PolarHBondContact O-N 3Å; L481-G483 VanDerWaalsContact C-N 3.33Å; L481-H484 PolarHBondContact O-N 2.75Å; L481-W485 PolarHBondContact O-N 3.48Å
482	L	86.7	Confident	82.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-69.9	-30.1	177.8	-74.7	-178.4	0	0	0	112.5	L462 C478 L479 D480 W485 R486 F495 L499 W530	L462-L482 HydrophobicContact CD1-CD1 4.33Å; L462-L482 HydrophobicContact CD1-CD2 4.14Å; L462-L482 HydrophobicContact CD1-CG 4.33Å; L462-L482 HydrophobicContact CD2-CD1 4.49Å; L462-L482 HydrophobicContact CD2-CD2 3.99Å; C478-L482 PolarHBondContact O-N 3.44Å; L479-L482 PolarHBondContact O-N 2.78Å; D480-L482 PolarHBondContact O-N 3.32Å; L482-W485 HydrophobicContact CD2-CD2 4.24Å; L482-W485 HydrophobicContact CD2-CE3 3.52Å; L482-W485 HydrophobicContact CD2-CZ3 4.1Å; L482-W485 PolarHBondContact O-N 2.85Å; L482-R486 PolarHBondContact O-N 3.44Å; L482-F495 HydrophobicContact CB-CE2 4.3Å; L482-F495 HydrophobicContact CB-CZ 4.47Å; L482-F495 HydrophobicContact CD2-CE2 4.29Å; L482-F495 VanDerWaalsContact O-CE2 3.26Å; L482-F495 WeakPolarHBondContact O-CE2 3.4Å; L482-L499 HydrophobicContact CD1-CD2 3.96Å; L482-W530 HydrophobicContact CB-CH2 4.32Å; L482-W530 HydrophobicContact CB-CZ3 4.06Å; L482-W530 HydrophobicContact CD1-CH2 3.62Å; L482-W530 HydrophobicContact CD1-CZ3 3.56Å; L482-W530 HydrophobicContact CG-CH2 4.38Å; L482-W530 HydrophobicContact CG-CZ3 4.38Å
483	G	86.4	Confident	82.4	Confident	14 Å²	14	69.7 Å²	69.7	14%	0.144	36%	0.359	C	S	.	.	H	α-helix	trans	-59.6	-48.4	170.1	0	0	0	0	0	112.1	L479 D480 L481 W485 R486 D487	L479-G483 PolarHBondContact O-N 3.47Å; D480-G483 PolarHBondContact O-N 3.09Å; L481-G483 VanDerWaalsContact C-N 3.33Å; G483-W485 VanDerWaalsContact C-N 3.3Å; G483-W485 PolarHBondContact O-N 3.22Å; G483-R486 WeakPolarHBondContact O-CB 3.36Å; G483-R486 PolarHBondContact O-N 3.16Å; G483-D487 PolarHBondContact O-N 3.24Å
484	H	83.2	Confident	82.2	Confident	126 Å²	126	61.7 Å²	61.7	58%	0.583	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-38.1	174.2	-65.5	104.5	0	0	0	112	D480 L481 D487 F488	D480-H484 PolarHBondContact O-N 2.9Å; D480-H484 PolarHBondContact O-ND1 3.48Å; L481-H484 PolarHBondContact O-N 2.75Å; H484-D487 PolarHBondContact O-N 3.2Å; H484-F488 VanDerWaalsContact O-CB 3.26Å; H484-F488 WeakPolarHBondContact O-CB 3.28Å; H484-F488 PolarHBondContact O-N 3.03Å
485	W	83.1	Confident	82	Confident	3 Å²	3	57 Å²	57	1%	0.011	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-37.6	177.9	-76.7	11.8	0	0	0	113	I433 A458 M461 L462 L481 L482 G483 D487 F488 F489 F495 I498	I433-W485 HydrophobicContact CD1-CH2 4.23Å; I433-W485 HydrophobicContact CD1-CZ2 3.76Å; I433-W485 HydrophobicContact CG2-CZ2 4.49Å; A458-W485 HydrophobicContact CB-CE3 4.3Å; A458-W485 HydrophobicContact CB-CH2 3.69Å; A458-W485 HydrophobicContact CB-CZ2 4.37Å; A458-W485 HydrophobicContact CB-CZ3 3.66Å; M461-W485 HydrophobicContact CE-CH2 3.46Å; M461-W485 VanDerWaalsContact CE-CH2 3.46Å; M461-W485 HydrophobicContact CE-CZ2 3.14Å; M461-W485 HydrophobicContact SD-CZ2 4.07Å; L462-W485 HydrophobicContact CB-CH2 4.15Å; L462-W485 HydrophobicContact CB-CZ3 3.99Å; L462-W485 HydrophobicContact CD2-CZ3 4.17Å; L462-W485 HydrophobicContact CG-CZ3 4.46Å; L481-W485 PolarHBondContact O-N 3.48Å; L482-W485 HydrophobicContact CD2-CD2 4.24Å; L482-W485 HydrophobicContact CD2-CE3 3.52Å; L482-W485 HydrophobicContact CD2-CZ3 4.1Å; L482-W485 PolarHBondContact O-N 2.85Å; G483-W485 VanDerWaalsContact C-N 3.3Å; G483-W485 PolarHBondContact O-N 3.22Å; W485-D487 VanDerWaalsContact C-N 3.29Å; W485-D487 PolarHBondContact O-N 2.88Å; W485-F488 PolarHBondContact O-N 2.88Å; W485-F488 VanDerWaalsContact O-N 3.16Å; W485-F489 HydrophobicContact CB-CD2 4.1Å; W485-F489 HydrophobicContact CB-CE2 3.88Å; W485-F489 HydrophobicContact CD2-CE2 4.27Å; W485-F489 HydrophobicContact CE3-CE2 4.13Å; W485-F489 HydrophobicContact CG-CE2 4.23Å; W485-F489 WeakPolarHBondContact O-CD2 3.21Å; W485-F489 PolarHBondContact O-N 3.11Å; W485-F495 HydrophobicContact CB-CE2 4.48Å; W485-I498 HydrophobicContact CE3-CG2 4.48Å; W485-I498 HydrophobicContact CZ3-CG2 4.31Å
486	R	83.7	Confident	82	Confident	105 Å²	105	57.8 Å²	57.8	40%	0.396	31%	0.305	S	S	.	.	H	α-helix	trans	-55.9	-47.7	174.1	-175.4	-163.4	65	-168.1	-6.2	110.8	L482 G483 F488 F495	L482-R486 PolarHBondContact O-N 3.44Å; G483-R486 WeakPolarHBondContact O-CB 3.36Å; G483-R486 PolarHBondContact O-N 3.16Å; R486-F488 VanDerWaalsContact C-N 3.29Å; R486-F488 PolarHBondContact O-N 3.34Å; R486-F495 HydrophobicContact CB-CD1 4.38Å; R486-F495 HydrophobicContact CB-CD2 4.1Å; R486-F495 HydrophobicContact CB-CE1 4.09Å; R486-F495 HydrophobicContact CB-CE2 3.82Å; R486-F495 HydrophobicContact CB-CG 4.37Å; R486-F495 HydrophobicContact CB-CZ 3.81Å; R486-F495 HydrophobicContact CG-CD1 4.18Å; R486-F495 HydrophobicContact CG-CE1 4.06Å; R486-F495 HydrophobicContact CG-CG 4.47Å; R486-F495 HydrophobicContact CG-CZ 4.3Å
487	D	78.3	Confident	82.1	Confident	97 Å²	97	55.4 Å²	55.4	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-69.7	-32.1	-179.7	-59.8	-13.6	0	0	0	111.3	G483 H484 W485 Q490	G483-D487 PolarHBondContact O-N 3.24Å; H484-D487 PolarHBondContact O-N 3.2Å; W485-D487 VanDerWaalsContact C-N 3.29Å; W485-D487 PolarHBondContact O-N 2.88Å; D487-Q490 WeakPolarHBondContact O-CG 3.17Å
488	F	72.8	Confident	82.1	Confident	48 Å²	48	52.1 Å²	52.1	21%	0.211	28%	0.275	C	S	.	.	H	α-helix	trans	-75.5	-43.8	-179.9	172.9	-104.2	0	0	0	114.1	S434 V437 H484 W485 R486 Q490	S434-F488 WeakPolarHBondContact O-CZ 3.39Å; V437-F488 HydrophobicContact CB-CE1 3.38Å; V437-F488 HydrophobicContact CB-CZ 3.55Å; V437-F488 HydrophobicContact CG1-CD1 4.33Å; V437-F488 HydrophobicContact CG1-CE1 3.29Å; V437-F488 HydrophobicContact CG1-CZ 3.55Å; V437-F488 HydrophobicContact CG2-CE1 3.91Å; H484-F488 VanDerWaalsContact O-CB 3.26Å; H484-F488 WeakPolarHBondContact O-CB 3.28Å; H484-F488 PolarHBondContact O-N 3.03Å; W485-F488 PolarHBondContact O-N 2.88Å; W485-F488 VanDerWaalsContact O-N 3.16Å; R486-F488 VanDerWaalsContact C-N 3.29Å; R486-F488 PolarHBondContact O-N 3.34Å; F488-Q490 PolarHBondContact O-N 2.71Å
489	F	74.7	Confident	82.4	Confident	1 Å²	1	51.1 Å²	51.1	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-63.9	-34.5	179.4	-78.6	-65.3	0	0	0	111.3	V437 M454 A458 W485 N491 A494 F495 I498	V437-F489 HydrophobicContact CG1-CD1 4.01Å; V437-F489 HydrophobicContact CG1-CE1 3.94Å; V437-F489 HydrophobicContact CG2-CE1 3.81Å; V437-F489 HydrophobicContact CG2-CZ 4.42Å; M454-F489 HydrophobicContact CB-CD1 4.18Å; M454-F489 HydrophobicContact CB-CE1 3.91Å; M454-F489 HydrophobicContact CE-CD1 4.31Å; M454-F489 HydrophobicContact SD-CD1 4.4Å; A458-F489 HydrophobicContact CB-CZ 3.91Å; W485-F489 HydrophobicContact CB-CD2 4.1Å; W485-F489 HydrophobicContact CB-CE2 3.88Å; W485-F489 HydrophobicContact CD2-CE2 4.27Å; W485-F489 HydrophobicContact CE3-CE2 4.13Å; W485-F489 HydrophobicContact CG-CE2 4.23Å; W485-F489 WeakPolarHBondContact O-CD2 3.21Å; W485-F489 PolarHBondContact O-N 3.11Å; F489-N491 PolarHBondContact O-N 2.68Å; F489-A494 HydrophobicContact CD1-CB 4.05Å; F489-A494 HydrophobicContact CG-CB 4.36Å; F489-F495 HydrophobicContact CD2-CB 4.41Å; F489-F495 HydrophobicContact CD2-CD2 4.23Å; F489-I498 HydrophobicContact CD2-CD1 3.99Å; F489-I498 HydrophobicContact CE1-CD1 4Å; F489-I498 HydrophobicContact CE2-CD1 3.14Å; F489-I498 HydrophobicContact CZ-CD1 3.16Å
490	Q	67.2	Low	82.6	Confident	160 Å²	160	53.3 Å²	53.3	75%	0.748	28%	0.278	S	S	*	.			trans	57.3	-34.8	-172.2	-61.4	177.9	14.1	0	0	114.4	D487 F488 S492	D487-Q490 WeakPolarHBondContact O-CG 3.17Å; F488-Q490 PolarHBondContact O-N 2.71Å; Q490-S492 PolarHBondContact O-N 2.67Å
491	N	67.6	Low	82.8	Confident	64 Å²	64	49.7 Å²	49.7	34%	0.342	26%	0.26	S	S	.	.			trans	-77.4	107.4	171.4	-71.6	-48.4	0	0	0	110.3	M454 F489 C493 A494	M454-N491 HydrophobicContact CE-CB 4.14Å; F489-N491 PolarHBondContact O-N 2.68Å; N491-C493 PolarHBondContact O-N 3.1Å; N491-A494 HydrophobicContact CB-CB 4.45Å; N491-A494 PolarHBondContact O-N 3.09Å
492	S	75.2	Confident	83.1	Confident	80 Å²	80	47.6 Å²	47.6	56%	0.559	25%	0.25	S	C	*	.	H	α-helix	trans	-47.3	-46.2	175.2	-169.1	0	0	0	0	111.6	Q490 A494 F495 D496	Q490-S492 PolarHBondContact O-N 2.67Å; S492-A494 VanDerWaalsContact C-N 3.34Å; S492-A494 PolarHBondContact O-N 2.76Å; S492-F495 PolarHBondContact O-N 2.97Å; S492-D496 VanDerWaalsContact C-OD2 3.32Å; S492-D496 PolarHBondContact O-N 3.32Å; S492-D496 PolarHBondContact OG-OD2 3.03Å
493	C	82.5	Confident	83.4	Confident	77 Å²	77	47.6 Å²	47.6	52%	0.52	25%	0.25	S	C	.	.	H	α-helix	trans	-61.7	-35.9	-173.7	-56.2	0	0	0	0	114.1	P451 N491 V497	P451-C493 HydrophobicContact CB-CB 4.11Å; P451-C493 HydrophobicContact CG-CB 4.31Å; N491-C493 PolarHBondContact O-N 3.1Å; C493-V497 VanDerWaalsContact O-CG2 3.23Å; C493-V497 WeakPolarHBondContact O-CG2 3.47Å; C493-V497 PolarHBondContact O-N 3.41Å; C493-V497 VanDerWaalsContact O-N 3.08Å
494	A	85.1	Confident	83.8	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.7	-41.8	179.7	0	0	0	0	0	111	P451 M454 F489 N491 S492 D496 V497 I498	P451-A494 HydrophobicContact CB-CB 4Å; P451-A494 WeakPolarHBondContact O-CB 3.13Å; M454-A494 HydrophobicContact CB-CB 4.28Å; M454-A494 HydrophobicContact CE-CB 3.42Å; M454-A494 VanDerWaalsContact CE-CB 3.42Å; F489-A494 HydrophobicContact CD1-CB 4.05Å; F489-A494 HydrophobicContact CG-CB 4.36Å; N491-A494 HydrophobicContact CB-CB 4.45Å; N491-A494 PolarHBondContact O-N 3.09Å; S492-A494 VanDerWaalsContact C-N 3.34Å; S492-A494 PolarHBondContact O-N 2.76Å; A494-D496 VanDerWaalsContact C-N 3.35Å; A494-V497 PolarHBondContact O-N 2.88Å; A494-I498 WeakPolarHBondContact O-CG1 3.46Å; A494-I498 PolarHBondContact O-N 3.44Å; A494-I498 VanDerWaalsContact O-N 3.11Å
495	F	88.4	Confident	84.2	Confident	9 Å²	9	43.9 Å²	43.9	4%	0.039	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-41.8	175.3	-175.5	-107.5	0	0	0	111.5	L482 W485 R486 F489 S492 V497 I498 L499	L482-F495 HydrophobicContact CB-CE2 4.3Å; L482-F495 HydrophobicContact CB-CZ 4.47Å; L482-F495 HydrophobicContact CD2-CE2 4.29Å; L482-F495 VanDerWaalsContact O-CE2 3.26Å; L482-F495 WeakPolarHBondContact O-CE2 3.4Å; W485-F495 HydrophobicContact CB-CE2 4.48Å; R486-F495 HydrophobicContact CB-CD1 4.38Å; R486-F495 HydrophobicContact CB-CD2 4.1Å; R486-F495 HydrophobicContact CB-CE1 4.09Å; R486-F495 HydrophobicContact CB-CE2 3.82Å; R486-F495 HydrophobicContact CB-CG 4.37Å; R486-F495 HydrophobicContact CB-CZ 3.81Å; R486-F495 HydrophobicContact CG-CD1 4.18Å; R486-F495 HydrophobicContact CG-CE1 4.06Å; R486-F495 HydrophobicContact CG-CG 4.47Å; R486-F495 HydrophobicContact CG-CZ 4.3Å; F489-F495 HydrophobicContact CD2-CB 4.41Å; F489-F495 HydrophobicContact CD2-CD2 4.23Å; S492-F495 PolarHBondContact O-N 2.97Å; F495-V497 VanDerWaalsContact C-N 3.33Å; F495-V497 PolarHBondContact O-N 3.45Å; F495-I498 PolarHBondContact O-N 3.3Å; F495-L499 HydrophobicContact CD1-CD1 3.78Å; F495-L499 HydrophobicContact CD1-CG 4.22Å; F495-L499 HydrophobicContact CE1-CD1 3.31Å; F495-L499 HydrophobicContact CE1-CD2 4.45Å; F495-L499 HydrophobicContact CE1-CG 3.88Å; F495-L499 HydrophobicContact CE2-CG 4.48Å; F495-L499 HydrophobicContact CZ-CD1 3.85Å; F495-L499 HydrophobicContact CZ-CD2 4.15Å; F495-L499 HydrophobicContact CZ-CG 4Å; F495-L499 PolarHBondContact O-N 3.15Å
496	D	89.1	Confident	84.7	Confident	43 Å²	43	44.5 Å²	44.5	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-42.2	176.3	-60.2	-27.1	0	0	0	111.6	S492 A494 L499 E500 P535	S492-D496 VanDerWaalsContact C-OD2 3.32Å; S492-D496 PolarHBondContact O-N 3.32Å; S492-D496 PolarHBondContact OG-OD2 3.03Å; A494-D496 VanDerWaalsContact C-N 3.35Å; D496-L499 PolarHBondContact O-N 3.3Å; D496-E500 WeakPolarHBondContact O-CB 3.35Å; D496-E500 PolarHBondContact O-N 3.5Å; D496-P535 WeakPolarHBondContact OD1-CG 3.43Å
497	V	89.9	Confident	85.2	Confident	42 Å²	42	39.6 Å²	39.6	26%	0.255	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-41.3	176	172.7	0	0	0	0	111.4	A455 C493 A494 F495 E500 T501	A455-V497 HydrophobicContact CB-CB 3.96Å; A455-V497 HydrophobicContact CB-CG1 3.59Å; C493-V497 VanDerWaalsContact O-CG2 3.23Å; C493-V497 WeakPolarHBondContact O-CG2 3.47Å; C493-V497 PolarHBondContact O-N 3.41Å; C493-V497 VanDerWaalsContact O-N 3.08Å; A494-V497 PolarHBondContact O-N 2.88Å; F495-V497 VanDerWaalsContact C-N 3.33Å; F495-V497 PolarHBondContact O-N 3.45Å; V497-E500 PolarHBondContact O-N 3.18Å; V497-T501 HydrophobicContact CG1-CG2 4.21Å; V497-T501 WeakPolarHBondContact O-CB 3.33Å; V497-T501 VanDerWaalsContact O-CG2 3.24Å; V497-T501 WeakPolarHBondContact O-CG2 3.41Å; V497-T501 PolarHBondContact O-N 3.12Å; V497-T501 PolarHBondContact O-OG1 3.37Å
498	I	89.4	Confident	85.9	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-45.9	176.9	-65.6	168.2	0	0	0	110.7	A455 A458 L462 W485 F489 A494 F495 E500 T501 S502	A455-I498 VanDerWaalsContact CA-CG1 3.49Å; A455-I498 HydrophobicContact CB-CD1 4.21Å; A455-I498 HydrophobicContact CB-CG1 3.45Å; A455-I498 VanDerWaalsContact CB-CG1 3.45Å; A458-I498 HydrophobicContact CB-CD1 3.93Å; L462-I498 HydrophobicContact CD2-CG2 3.34Å; W485-I498 HydrophobicContact CE3-CG2 4.48Å; W485-I498 HydrophobicContact CZ3-CG2 4.31Å; F489-I498 HydrophobicContact CD2-CD1 3.99Å; F489-I498 HydrophobicContact CE1-CD1 4Å; F489-I498 HydrophobicContact CE2-CD1 3.14Å; F489-I498 HydrophobicContact CZ-CD1 3.16Å; A494-I498 WeakPolarHBondContact O-CG1 3.46Å; A494-I498 PolarHBondContact O-N 3.44Å; A494-I498 VanDerWaalsContact O-N 3.11Å; F495-I498 PolarHBondContact O-N 3.3Å; I498-E500 VanDerWaalsContact C-N 3.32Å; I498-E500 PolarHBondContact O-N 3.25Å; I498-T501 PolarHBondContact O-N 3.11Å; I498-T501 PolarHBondContact O-OG1 2.94Å; I498-S502 PolarHBondContact O-N 3.41Å
499	L	91.3	Very high	86.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-60.2	-44.3	177.3	-76.9	-177.7	0	0	0	111.1	L482 F495 D496 W503 L504 M538	L482-L499 HydrophobicContact CD1-CD2 3.96Å; F495-L499 HydrophobicContact CD1-CD1 3.78Å; F495-L499 HydrophobicContact CD1-CG 4.22Å; F495-L499 HydrophobicContact CE1-CD1 3.31Å; F495-L499 HydrophobicContact CE1-CD2 4.45Å; F495-L499 HydrophobicContact CE1-CG 3.88Å; F495-L499 HydrophobicContact CE2-CG 4.48Å; F495-L499 HydrophobicContact CZ-CD1 3.85Å; F495-L499 HydrophobicContact CZ-CD2 4.15Å; F495-L499 HydrophobicContact CZ-CG 4Å; F495-L499 PolarHBondContact O-N 3.15Å; D496-L499 PolarHBondContact O-N 3.3Å; L499-W503 HydrophobicContact CD2-CB 3.92Å; L499-W503 HydrophobicContact CD2-CD2 4.4Å; L499-W503 HydrophobicContact CD2-CG 4.06Å; L499-W503 WeakPolarHBondContact O-CB 3.25Å; L499-W503 PolarHBondContact O-N 2.89Å; L499-L504 VanDerWaalsContact O-CB 3.31Å; L499-L504 WeakPolarHBondContact O-CB 3.37Å; L499-L504 PolarHBondContact O-N 3.38Å; L499-M538 HydrophobicContact CB-CE 4.29Å; L499-M538 HydrophobicContact CB-SD 4.32Å; L499-M538 HydrophobicContact CD1-CE 4.35Å
500	E	91	Very high	87.8	Confident	83 Å²	83	45.1 Å²	45.1	39%	0.388	24%	0.236	S	C	.	.	I	π-helix	trans	-67.2	-40	179.2	175.3	164.8	-164	0	0	113.3	D496 V497 I498 L504 K542	D496-E500 WeakPolarHBondContact O-CB 3.35Å; D496-E500 PolarHBondContact O-N 3.5Å; V497-E500 PolarHBondContact O-N 3.18Å; I498-E500 VanDerWaalsContact C-N 3.32Å; I498-E500 PolarHBondContact O-N 3.25Å; E500-L504 HydrophobicContact CG-CD2 4.25Å; E500-L504 WeakPolarHBondContact O-CB 3.39Å; E500-K542 IonicContact OE1-NZ 2.97Å; E500-K542 PolarHBondContact OE1-NZ 3.31Å; E500-K542 IonicContact OE2-NZ 3.42Å; E500-K542 PolarHBondContact OE2-NZ 3.1Å
501	T	90	Very high	89.1	Confident	46 Å²	46	37.5 Å²	37.5	28%	0.282	20%	0.2	S	C	.	.	I	π-helix	trans	-83.5	-34.8	-172.1	54.5	0	0	0	0	113.5	V497 I498 S505	V497-T501 HydrophobicContact CG1-CG2 4.21Å; V497-T501 WeakPolarHBondContact O-CB 3.33Å; V497-T501 VanDerWaalsContact O-CG2 3.24Å; V497-T501 WeakPolarHBondContact O-CG2 3.41Å; V497-T501 PolarHBondContact O-N 3.12Å; V497-T501 PolarHBondContact O-OG1 3.37Å; I498-T501 PolarHBondContact O-N 3.11Å; I498-T501 PolarHBondContact O-OG1 2.94Å; T501-S505 WeakPolarHBondContact O-CB 3.46Å; T501-S505 PolarHBondContact O-OG 3.24Å
502	S	90.5	Very high	90.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	20%	0.204	C	C	.	.	I	π-helix	trans	-110.7	-59.6	-174.7	-67.4	0	0	0	0	112.3	D463 I498 S505 A506	D463-S502 WeakPolarHBondContact OD1-CB 3.21Å; D463-S502 PolarHBondContact OD1-OG 3.32Å; I498-S502 PolarHBondContact O-N 3.41Å; S502-S505 WeakPolarHBondContact O-CB 3.39Å; S502-S505 PolarHBondContact O-N 3.42Å; S502-A506 PolarHBondContact O-N 3.37Å; S502-A506 VanDerWaalsContact O-N 3.09Å
503	W	92.5	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-64.6	-49.7	-175.5	177.8	93.6	0	0	0	111.7	W469 L499 S505 A506 I507 W530 L534 M538 I543	W469-W503 AromaticContact CH2-NE1 3.76Å; W469-W503 AromaticContact CZ3-CD1 3.98Å; L499-W503 HydrophobicContact CD2-CB 3.92Å; L499-W503 HydrophobicContact CD2-CD2 4.4Å; L499-W503 HydrophobicContact CD2-CG 4.06Å; L499-W503 WeakPolarHBondContact O-CB 3.25Å; L499-W503 PolarHBondContact O-N 2.89Å; W503-S505 PolarHBondContact O-N 2.8Å; W503-A506 WeakPolarHBondContact O-CB 3.49Å; W503-A506 PolarHBondContact O-N 3.45Å; W503-A506 VanDerWaalsContact O-N 3.1Å; W503-I507 HydrophobicContact CD2-CG1 3.9Å; W503-I507 HydrophobicContact CE3-CG1 4.09Å; W503-I507 HydrophobicContact CH2-CB 4.49Å; W503-I507 HydrophobicContact CH2-CD1 4.4Å; W503-I507 HydrophobicContact CH2-CG1 3.76Å; W503-I507 HydrophobicContact CH2-CG2 4.49Å; W503-I507 HydrophobicContact CZ2-CD1 3.93Å; W503-I507 HydrophobicContact CZ2-CG1 3.6Å; W503-I507 HydrophobicContact CZ3-CB 4.46Å; W503-I507 HydrophobicContact CZ3-CG1 4Å; W503-I507 WeakPolarHBondContact O-CG1 3.45Å; W503-I507 PolarHBondContact O-N 2.85Å; W503-W530 AromaticContact CD1-CH2 3.75Å; W503-W530 AromaticContact CD1-CZ2 3.95Å; W503-W530 AromaticContact CD1-CZ3 3.8Å; W503-W530 AromaticContact CE2-CD2 3.85Å; W503-W530 AromaticContact CE2-CE3 3.96Å; W503-W530 HydrophobicContact CZ2-CB 3.98Å; W503-W530 AromaticContact CZ2-CD2 3.96Å; W503-W530 HydrophobicContact CZ2-CD2 3.96Å; W503-W530 HydrophobicContact CZ2-CE3 4.34Å; W503-W530 AromaticContact CZ2-CG 3.79Å; W503-W530 HydrophobicContact CZ2-CG 3.79Å; W503-W530 AromaticContact NE1-CD2 3.31Å; W503-W530 VanDerWaalsContact NE1-CD2 3.31Å; W503-W530 AromaticContact NE1-CE2 3.34Å; W503-W530 VanDerWaalsContact NE1-CE2 3.34Å; W503-W530 AromaticContact NE1-CE3 3.42Å; W503-W530 AromaticContact NE1-CH2 3.66Å; W503-W530 AromaticContact NE1-CZ2 3.5Å; W503-W530 AromaticContact NE1-CZ3 3.61Å; W503-L534 HydrophobicContact CD2-CD2 4.34Å; W503-L534 HydrophobicContact CE3-CD2 3.93Å; W503-L534 HydrophobicContact CH2-CD1 3.78Å; W503-L534 HydrophobicContact CH2-CD2 3.3Å; W503-L534 HydrophobicContact CH2-CG 4.19Å; W503-L534 HydrophobicContact CZ2-CD1 4.27Å; W503-L534 HydrophobicContact CZ2-CD2 3.71Å; W503-L534 HydrophobicContact CZ3-CD2 3.42Å; W503-L534 VanDerWaalsContact CZ3-CD2 3.42Å; W503-M538 HydrophobicContact CE3-CE 3.99Å; W503-M538 HydrophobicContact CZ3-CE 3.71Å; W503-I543 HydrophobicContact CH2-CD1 3.81Å; W503-I543 HydrophobicContact CZ3-CD1 3.74Å
504	L	93.9	Very high	91.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.3	-31.3	179.2	178.1	65.3	0	0	0	111.1	L499 E500 R508 M538 K542 I543 L547	L499-L504 VanDerWaalsContact O-CB 3.31Å; L499-L504 WeakPolarHBondContact O-CB 3.37Å; L499-L504 PolarHBondContact O-N 3.38Å; E500-L504 HydrophobicContact CG-CD2 4.25Å; E500-L504 WeakPolarHBondContact O-CB 3.39Å; L504-R508 WeakPolarHBondContact O-CB 3.26Å; L504-R508 PolarHBondContact O-N 3.33Å; L504-M538 HydrophobicContact CB-SD 4.49Å; L504-M538 HydrophobicContact CD2-CG 4.42Å; L504-M538 HydrophobicContact CD2-SD 4.34Å; L504-K542 HydrophobicContact CD2-CB 4.17Å; L504-K542 HydrophobicContact CD2-CD 3.92Å; L504-I543 HydrophobicContact CD1-CD1 4.5Å; L504-I543 HydrophobicContact CD1-CG1 3.89Å; L504-L547 HydrophobicContact CD1-CD1 4.23Å
505	S	92.7	Very high	91.9	Very high	61 Å²	61	41 Å²	41	43%	0.427	21%	0.206	S	C	.	.	H	α-helix	trans	-63.8	-42.9	173	-67.2	0	0	0	0	111.7	T501 S502 W503 R509	T501-S505 WeakPolarHBondContact O-CB 3.46Å; T501-S505 PolarHBondContact O-OG 3.24Å; S502-S505 WeakPolarHBondContact O-CB 3.39Å; S502-S505 PolarHBondContact O-N 3.42Å; W503-S505 PolarHBondContact O-N 2.8Å; S505-R509 WeakPolarHBondContact O-CB 3.36Å; S505-R509 PolarHBondContact O-N 2.93Å
506	A	92.1	Very high	92	Very high	17 Å²	17	44.6 Å²	44.6	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-46.7	175.2	0	0	0	0	0	111.8	L466 W469 S502 W503 R509 T510	L466-A506 HydrophobicContact CB-CB 4.48Å; L466-A506 HydrophobicContact CD1-CB 4.49Å; W469-A506 HydrophobicContact CE3-CB 4.19Å; W469-A506 HydrophobicContact CZ3-CB 4.38Å; S502-A506 PolarHBondContact O-N 3.37Å; S502-A506 VanDerWaalsContact O-N 3.09Å; W503-A506 WeakPolarHBondContact O-CB 3.49Å; W503-A506 PolarHBondContact O-N 3.45Å; W503-A506 VanDerWaalsContact O-N 3.1Å; A506-R509 WeakPolarHBondContact O-CB 3.41Å; A506-R509 PolarHBondContact O-N 3.13Å; A506-T510 WeakPolarHBondContact O-CG2 3.34Å; A506-T510 PolarHBondContact O-N 3.04Å; A506-T510 VanDerWaalsContact O-N 3.1Å; A506-T510 PolarHBondContact O-OG1 3.28Å
507	I	94.3	Very high	92.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-64.4	-41.2	177.7	-65.4	-68.6	0	0	0	111.9	W469 P471 W503 R509 T510 I511 V526	W469-I507 HydrophobicContact CH2-CD1 4.05Å; W469-I507 HydrophobicContact CZ3-CD1 4.26Å; P471-I507 HydrophobicContact CB-CD1 3.83Å; P471-I507 HydrophobicContact CG-CD1 3.8Å; W503-I507 HydrophobicContact CD2-CG1 3.9Å; W503-I507 HydrophobicContact CE3-CG1 4.09Å; W503-I507 HydrophobicContact CH2-CB 4.49Å; W503-I507 HydrophobicContact CH2-CD1 4.4Å; W503-I507 HydrophobicContact CH2-CG1 3.76Å; W503-I507 HydrophobicContact CH2-CG2 4.49Å; W503-I507 HydrophobicContact CZ2-CD1 3.93Å; W503-I507 HydrophobicContact CZ2-CG1 3.6Å; W503-I507 HydrophobicContact CZ3-CB 4.46Å; W503-I507 HydrophobicContact CZ3-CG1 4Å; W503-I507 WeakPolarHBondContact O-CG1 3.45Å; W503-I507 PolarHBondContact O-N 2.85Å; I507-R509 VanDerWaalsContact C-N 3.33Å; I507-R509 PolarHBondContact O-N 3.08Å; I507-T510 WeakPolarHBondContact CA-OG1 3.35Å; I507-T510 PolarHBondContact O-N 2.83Å; I507-T510 PolarHBondContact O-OG1 3.18Å; I507-I511 HydrophobicContact CG2-CD1 3.56Å; I507-I511 HydrophobicContact CG2-CG1 4.21Å; I507-I511 WeakPolarHBondContact O-CB 3.49Å; I507-I511 VanDerWaalsContact O-CG1 3.3Å; I507-I511 WeakPolarHBondContact O-CG1 3.28Å; I507-I511 PolarHBondContact O-N 3.39Å; I507-V526 HydrophobicContact CD1-CG1 3.91Å
508	R	94.6	Very high	92.1	Very high	107 Å²	107	45.7 Å²	45.7	40%	0.404	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-45.2	174.8	-178.9	-178.6	-51.3	-149.5	4.5	110.9	L504 T510 V512 L547	L504-R508 WeakPolarHBondContact O-CB 3.26Å; L504-R508 PolarHBondContact O-N 3.33Å; R508-T510 VanDerWaalsContact C-N 3.28Å; R508-T510 PolarHBondContact O-N 3.18Å; R508-V512 HydrophobicContact CG-CG2 4.26Å; R508-V512 VanDerWaalsContact O-CB 3.3Å; R508-V512 WeakPolarHBondContact O-CB 3.26Å; R508-V512 WeakPolarHBondContact O-CG2 3.35Å; R508-V512 PolarHBondContact O-N 2.94Å; R508-L547 HydrophobicContact CB-CD1 4.04Å; R508-L547 HydrophobicContact CB-CD2 4.47Å; R508-L547 HydrophobicContact CG-CD1 4.24Å; R508-L547 HydrophobicContact CG-CD2 3.76Å
509	R	93.3	Very high	92.1	Very high	150 Å²	150	49.6 Å²	49.6	57%	0.566	25%	0.245	S	C	*	.	H	α-helix	trans	-58.2	-41.3	177.3	177.8	-176.2	170.8	-174.6	-4.4	111.4	S505 A506 I507 N513	S505-R509 WeakPolarHBondContact O-CB 3.36Å; S505-R509 PolarHBondContact O-N 2.93Å; A506-R509 WeakPolarHBondContact O-CB 3.41Å; A506-R509 PolarHBondContact O-N 3.13Å; I507-R509 VanDerWaalsContact C-N 3.33Å; I507-R509 PolarHBondContact O-N 3.08Å; R509-N513 VanDerWaalsContact O-CB 3.32Å; R509-N513 WeakPolarHBondContact O-CB 3.3Å; R509-N513 PolarHBondContact O-N 3.07Å; R509-N513 VanDerWaalsContact O-N 3.07Å; R509-N513 PolarHBondContact O-ND2 2.94Å
510	T	93	Very high	92.1	Very high	6 Å²	6	50 Å²	50	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-76.6	-42.5	-176.6	59.4	0	0	0	0	111.9	P471 A506 I507 R508 V512 E514 W515	P471-T510 HydrophobicContact CG-CG2 3.75Å; A506-T510 WeakPolarHBondContact O-CG2 3.34Å; A506-T510 PolarHBondContact O-N 3.04Å; A506-T510 VanDerWaalsContact O-N 3.1Å; A506-T510 PolarHBondContact O-OG1 3.28Å; I507-T510 WeakPolarHBondContact CA-OG1 3.35Å; I507-T510 PolarHBondContact O-N 2.83Å; I507-T510 PolarHBondContact O-OG1 3.18Å; R508-T510 VanDerWaalsContact C-N 3.28Å; R508-T510 PolarHBondContact O-N 3.18Å; T510-V512 VanDerWaalsContact C-N 3.33Å; T510-V512 PolarHBondContact O-N 2.9Å; T510-E514 PolarHBondContact O-N 3.1Å; T510-W515 PolarHBondContact O-N 3.25Å
511	I	94.4	Very high	92.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-41.6	174.8	-67.4	173.6	0	0	0	111.3	I507 W515 L523 L547 I548 K551	I507-I511 HydrophobicContact CG2-CD1 3.56Å; I507-I511 HydrophobicContact CG2-CG1 4.21Å; I507-I511 WeakPolarHBondContact O-CB 3.49Å; I507-I511 VanDerWaalsContact O-CG1 3.3Å; I507-I511 WeakPolarHBondContact O-CG1 3.28Å; I507-I511 PolarHBondContact O-N 3.39Å; I511-W515 HydrophobicContact CG2-CE3 3.81Å; I511-W515 HydrophobicContact CG2-CZ3 4.26Å; I511-L523 HydrophobicContact CD1-CD1 4.2Å; I511-L523 HydrophobicContact CD1-CD2 4.31Å; I511-L523 HydrophobicContact CG1-CD1 4.01Å; I511-L523 HydrophobicContact CG1-CD2 4.11Å; I511-L547 HydrophobicContact CD1-CB 4.28Å; I511-L547 HydrophobicContact CD1-CD1 4.25Å; I511-L547 HydrophobicContact CG2-CB 4.06Å; I511-I548 HydrophobicContact CD1-CG1 4.24Å; I511-K551 HydrophobicContact CG2-CG 4.35Å; I511-K551 VanDerWaalsContact O-CE 3.23Å; I511-K551 WeakPolarHBondContact O-CE 3.37Å; I511-K551 PolarHBondContact O-NZ 3.24Å
512	V	92.6	Very high	92.4	Very high	70 Å²	70	51.8 Å²	51.8	42%	0.424	26%	0.255	S	S	.	.	H	α-helix	trans	-74.3	-41.1	-177.3	174.5	0	0	0	0	112.1	R508 T510 K551	R508-V512 HydrophobicContact CG-CG2 4.26Å; R508-V512 VanDerWaalsContact O-CB 3.3Å; R508-V512 WeakPolarHBondContact O-CB 3.26Å; R508-V512 WeakPolarHBondContact O-CG2 3.35Å; R508-V512 PolarHBondContact O-N 2.94Å; T510-V512 VanDerWaalsContact C-N 3.33Å; T510-V512 PolarHBondContact O-N 2.9Å; V512-K551 PolarHBondContact O-NZ 3.05Å
513	N	92.1	Very high	92.6	Very high	117 Å²	117	51.7 Å²	51.7	63%	0.626	26%	0.255	S	S	*	.	H	α-helix	trans	-102.2	-36	-169.7	-60.2	-49.2	0	0	0	114.8	R509	R509-N513 VanDerWaalsContact O-CB 3.32Å; R509-N513 WeakPolarHBondContact O-CB 3.3Å; R509-N513 PolarHBondContact O-N 3.07Å; R509-N513 VanDerWaalsContact O-N 3.07Å; R509-N513 PolarHBondContact O-ND2 2.94Å
514	E	90.2	Very high	92.7	Very high	95 Å²	95	52.9 Å²	52.9	44%	0.444	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-32.9	-166.2	-63.1	-177.5	-165.1	0	0	113	N470 L472 T510 N516	N470-E514 PolarHBondContact ND2-OE2 3.31Å; L472-E514 HydrophobicContact CD1-CB 4.39Å; T510-E514 PolarHBondContact O-N 3.1Å; E514-N516 PolarHBondContact O-N 3.13Å
515	W	94.1	Very high	92.7	Very high	12 Å²	12	58.1 Å²	58.1	5%	0.045	29%	0.285	C	S	.	.			trans	-70.5	131.3	-175.3	178.9	55.3	0	0	0	112.5	L472 T510 I511 P517 D519 L523 I548 K551 L552 W575	L472-W515 HydrophobicContact CD1-CB 4.28Å; T510-W515 PolarHBondContact O-N 3.25Å; I511-W515 HydrophobicContact CG2-CE3 3.81Å; I511-W515 HydrophobicContact CG2-CZ3 4.26Å; W515-P517 HydrophobicContact CE3-CG 4.28Å; W515-P517 HydrophobicContact CH2-CB 4.1Å; W515-P517 HydrophobicContact CH2-CG 4.22Å; W515-P517 HydrophobicContact CZ2-CB 4.23Å; W515-P517 HydrophobicContact CZ3-CB 4.46Å; W515-P517 HydrophobicContact CZ3-CG 4.08Å; W515-D519 PolarHBondContact NE1-O 3.28Å; W515-L523 HydrophobicContact CD2-CD2 3.57Å; W515-L523 VanDerWaalsContact CE2-CD2 3.43Å; W515-L523 HydrophobicContact CE3-CD2 3.93Å; W515-L523 HydrophobicContact CG-CD2 4.08Å; W515-L523 HydrophobicContact CH2-CD2 3.98Å; W515-L523 HydrophobicContact CZ2-CD2 3.67Å; W515-L523 HydrophobicContact CZ3-CD2 4.1Å; W515-I548 HydrophobicContact CH2-CG2 4.02Å; W515-I548 HydrophobicContact CZ3-CG1 4.46Å; W515-I548 HydrophobicContact CZ3-CG2 4.41Å; W515-K551 HydrophobicContact CE3-CB 4.3Å; W515-K551 HydrophobicContact CE3-CG 4.41Å; W515-K551 HydrophobicContact CZ3-CB 3.67Å; W515-K551 HydrophobicContact CZ3-CG 4.19Å; W515-L552 HydrophobicContact CH2-CD2 4.26Å; W515-W575 AromaticContact CH2-CZ2 3.99Å; W515-W575 HydrophobicContact CH2-CZ2 3.99Å; W515-W575 AromaticContact CZ2-CZ2 3.65Å; W515-W575 HydrophobicContact CZ2-CZ2 3.65Å
516	N	90.9	Very high	92.8	Very high	84 Å²	84	55.2 Å²	55.2	45%	0.449	27%	0.265	S	S	.	.			trans	-102.1	117.1	172.1	178.9	9.4	0	0	0	110	E514 R518 D519	E514-N516 PolarHBondContact O-N 3.13Å; N516-R518 PolarHBondContact O-N 3.24Å; N516-R518 PolarHBondContact OD1-N 3.23Å; N516-D519 CarbonylContact O-C 3.6Å; N516-D519 PolarHBondContact O-N 2.85Å; N516-D519 VanDerWaalsContact O-O 3.04Å
517	P	90.7	Very high	92.9	Very high	14 Å²	14	54.4 Å²	54.4	9%	0.091	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.1	-179.2	-26.3	35.7	0	0	0	115.5	W515 D519 K551 L552 A555 W571	W515-P517 HydrophobicContact CE3-CG 4.28Å; W515-P517 HydrophobicContact CH2-CB 4.1Å; W515-P517 HydrophobicContact CH2-CG 4.22Å; W515-P517 HydrophobicContact CZ2-CB 4.23Å; W515-P517 HydrophobicContact CZ3-CB 4.46Å; W515-P517 HydrophobicContact CZ3-CG 4.08Å; P517-D519 PolarHBondContact O-N 3.29Å; P517-K551 HydrophobicContact CG-CB 4.2Å; P517-L552 HydrophobicContact CB-CD2 4.15Å; P517-A555 HydrophobicContact CB-CB 3.72Å; P517-A555 HydrophobicContact CG-CB 4.04Å; P517-W571 WeakPolarHBondContact O-CB 3.35Å
518	R	89.5	Confident	92.9	Very high	95 Å²	95	60.7 Å²	60.7	36%	0.358	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.1	177.7	-62.3	173.3	176.4	-126.5	-10.7	113.1	N516 D564	N516-R518 PolarHBondContact O-N 3.24Å; N516-R518 PolarHBondContact OD1-N 3.23Å; R518-D564 IonicContact CZ-OD2 3.36Å; R518-D564 VanDerWaalsContact NH1-CG 3.31Å; R518-D564 IonicContact NH1-OD1 2.72Å; R518-D564 PolarHBondContact NH1-OD1 3.02Å; R518-D564 VanDerWaalsContact NH1-OD1 3.12Å; R518-D564 IonicContact NH1-OD2 2.94Å; R518-D564 PolarHBondContact NH1-OD2 3.09Å; R518-D564 IonicContact NH2-OD2 2.92Å; R518-D564 PolarHBondContact NH2-OD2 3.24Å
519	D	90.9	Very high	92.9	Very high	82 Å²	82	57.1 Å²	57.1	44%	0.439	28%	0.281	S	S	.	.			trans	-120.3	87	176.7	-175	17	0	0	0	108.4	W515 N516 P517	W515-D519 PolarHBondContact NE1-O 3.28Å; N516-D519 CarbonylContact O-C 3.6Å; N516-D519 PolarHBondContact O-N 2.85Å; N516-D519 VanDerWaalsContact O-O 3.04Å; P517-D519 PolarHBondContact O-N 3.29Å
520	C	91.5	Very high	92.9	Very high	7 Å²	7	50 Å²	50	5%	0.047	25%	0.254	C	S	.	.			trans	-85.9	-20.9	-172.8	58.2	0	0	0	0	113.5	L523 L524 W575	C520-L523 PolarHBondContact O-N 2.78Å; C520-L524 HydrophobicContact CB-CD1 4.02Å; C520-L524 HydrophobicContact CB-CG 4.45Å; C520-L524 VanDerWaalsContact O-CG 3.28Å; C520-L524 WeakPolarHBondContact O-CG 3.38Å; C520-L524 PolarHBondContact O-N 3.49Å; C520-W575 HydrophobicContact CB-CZ2 4.14Å
521	E	92.8	Very high	92.8	Very high	134 Å²	134	54.7 Å²	54.7	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-54.1	-48.3	-173.6	-61.6	-176	163.8	0	0	112.9	L523 L524 E525	E521-L523 VanDerWaalsContact C-N 3.31Å; E521-L523 PolarHBondContact O-N 3.02Å; E521-L524 PolarHBondContact O-N 3.43Å; E521-L524 VanDerWaalsContact O-N 3.13Å; E521-E525 WeakPolarHBondContact O-CG 3.47Å; E521-E525 PolarHBondContact O-N 2.57Å
522	P	93.4	Very high	92.6	Very high	33 Å²	33	59.5 Å²	59.5	21%	0.214	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-35.1	-177.3	-22.7	34.6	0	0	0	113.4	L472 V526	L472-P522 HydrophobicContact CB-CB 4.3Å; L472-P522 HydrophobicContact CD2-CB 4.23Å; P522-V526 WeakPolarHBondContact O-CG2 3.26Å; P522-V526 PolarHBondContact O-N 2.9Å
523	L	94.5	Very high	92.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-75.9	-34.9	177.9	-176.6	61.7	0	0	0	111.5	L472 I511 W515 C520 E521 V526 L527 I548 W575	L472-L523 HydrophobicContact CD2-CB 4.16Å; L472-L523 HydrophobicContact CD2-CD1 4.34Å; I511-L523 HydrophobicContact CD1-CD1 4.2Å; I511-L523 HydrophobicContact CD1-CD2 4.31Å; I511-L523 HydrophobicContact CG1-CD1 4.01Å; I511-L523 HydrophobicContact CG1-CD2 4.11Å; W515-L523 HydrophobicContact CD2-CD2 3.57Å; W515-L523 VanDerWaalsContact CE2-CD2 3.43Å; W515-L523 HydrophobicContact CE3-CD2 3.93Å; W515-L523 HydrophobicContact CG-CD2 4.08Å; W515-L523 HydrophobicContact CH2-CD2 3.98Å; W515-L523 HydrophobicContact CZ2-CD2 3.67Å; W515-L523 HydrophobicContact CZ3-CD2 4.1Å; C520-L523 PolarHBondContact O-N 2.78Å; E521-L523 VanDerWaalsContact C-N 3.31Å; E521-L523 PolarHBondContact O-N 3.02Å; L523-V526 PolarHBondContact O-N 3.11Å; L523-L527 WeakPolarHBondContact O-CG 3.47Å; L523-L527 PolarHBondContact O-N 3.11Å; L523-I548 HydrophobicContact CD2-CD1 4.08Å; L523-I548 HydrophobicContact CD2-CG1 4.19Å; L523-W575 HydrophobicContact CD2-CH2 3.78Å; L523-W575 HydrophobicContact CD2-CZ2 4.07Å; L523-W575 HydrophobicContact CG-CH2 4.05Å
524	L	94.8	Very high	92.4	Very high	24 Å²	24	51.9 Å²	51.9	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-64.7	-41.3	176.3	-68.7	168.4	0	0	0	111.2	C520 E521 V526 L527 E528 P574 W575	C520-L524 HydrophobicContact CB-CD1 4.02Å; C520-L524 HydrophobicContact CB-CG 4.45Å; C520-L524 VanDerWaalsContact O-CG 3.28Å; C520-L524 WeakPolarHBondContact O-CG 3.38Å; C520-L524 PolarHBondContact O-N 3.49Å; E521-L524 PolarHBondContact O-N 3.43Å; E521-L524 VanDerWaalsContact O-N 3.13Å; L524-V526 VanDerWaalsContact C-N 3.3Å; L524-V526 PolarHBondContact O-N 2.75Å; L524-L527 PolarHBondContact O-N 3.39Å; L524-E528 WeakPolarHBondContact O-CB 3.23Å; L524-E528 PolarHBondContact O-N 2.93Å; L524-P574 HydrophobicContact CD1-CB 3.56Å; L524-W575 HydrophobicContact CD2-CD2 4.18Å; L524-W575 HydrophobicContact CD2-CE3 3.94Å; L524-W575 HydrophobicContact CD2-CH2 3.72Å; L524-W575 HydrophobicContact CD2-CZ2 3.98Å; L524-W575 HydrophobicContact CD2-CZ3 3.7Å; L524-W575 HydrophobicContact CG-CH2 4.26Å; L524-W575 HydrophobicContact CG-CZ2 4.22Å
525	E	94.7	Very high	92.5	Very high	110 Å²	110	49 Å²	49	51%	0.514	25%	0.253	S	S	.	.	H	α-helix	trans	-59.1	-40.3	174.6	-72.1	179.7	-176.5	0	0	112.2	E521 A529	E521-E525 WeakPolarHBondContact O-CG 3.47Å; E521-E525 PolarHBondContact O-N 2.57Å; E525-A529 WeakPolarHBondContact O-CB 3.3Å; E525-A529 PolarHBondContact O-N 3.35Å
526	V	94.8	Very high	92.3	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-50.8	173.5	177.2	0	0	0	0	110.4	P471 P475 I507 P522 L523 L524 E528 A529 W530	P471-V526 HydrophobicContact CB-CG1 4.34Å; P471-V526 HydrophobicContact CB-CG2 4.09Å; P471-V526 WeakPolarHBondContact O-CG2 3.24Å; P475-V526 HydrophobicContact CB-CB 4.38Å; P475-V526 HydrophobicContact CB-CG2 3.76Å; I507-V526 HydrophobicContact CD1-CG1 3.91Å; P522-V526 WeakPolarHBondContact O-CG2 3.26Å; P522-V526 PolarHBondContact O-N 2.9Å; L523-V526 PolarHBondContact O-N 3.11Å; L524-V526 VanDerWaalsContact C-N 3.3Å; L524-V526 PolarHBondContact O-N 2.75Å; V526-E528 VanDerWaalsContact C-N 3.33Å; V526-E528 PolarHBondContact O-N 3.41Å; V526-A529 PolarHBondContact O-N 3.18Å; V526-W530 PolarHBondContact O-N 3.08Å
527	L	94.1	Very high	92.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-39.1	-177.5	-66.5	178.3	0	0	0	112.2	L523 L524 W530 Q531 L539 I543 I548 W575 W578	L523-L527 WeakPolarHBondContact O-CG 3.47Å; L523-L527 PolarHBondContact O-N 3.11Å; L524-L527 PolarHBondContact O-N 3.39Å; L527-W530 PolarHBondContact O-N 2.9Å; L527-Q531 WeakPolarHBondContact O-CA 3.37Å; L527-Q531 WeakPolarHBondContact O-CB 3.45Å; L527-Q531 PolarHBondContact O-N 3.21Å; L527-L539 HydrophobicContact CD2-CD1 4.28Å; L527-I543 HydrophobicContact CD2-CG2 3.95Å; L527-I548 HydrophobicContact CD1-CD1 3.87Å; L527-W575 HydrophobicContact CD1-CH2 3.85Å; L527-W575 HydrophobicContact CD1-CZ3 3.62Å; L527-W578 HydrophobicContact CB-CH2 3.59Å; L527-W578 HydrophobicContact CB-CZ2 4Å; L527-W578 HydrophobicContact CB-CZ3 3.88Å
528	E	94.3	Very high	92.4	Very high	133 Å²	133	54 Å²	54	62%	0.621	28%	0.28	S	S	*	.	H	α-helix	trans	-65	-43.8	176.9	-173.7	172.8	-174.6	0	0	111.7	L524 V526 W530 W578	L524-E528 WeakPolarHBondContact O-CB 3.23Å; L524-E528 PolarHBondContact O-N 2.93Å; V526-E528 VanDerWaalsContact C-N 3.33Å; V526-E528 PolarHBondContact O-N 3.41Å; E528-W530 PolarHBondContact O-N 2.85Å; E528-W578 HydrophobicContact CB-CZ2 4.33Å
529	A	93.8	Very high	92.6	Very high	31 Å²	31	49.8 Å²	49.8	26%	0.256	26%	0.264	S	S	.	.	H	α-helix	trans	-62.3	-43.6	176.7	0	0	0	0	0	111.9	T476 L479 E525 V526 P532	T476-A529 HydrophobicContact CG2-CB 4.37Å; L479-A529 HydrophobicContact CD1-CB 4.09Å; L479-A529 WeakPolarHBondContact CD1-O 3.35Å; E525-A529 WeakPolarHBondContact O-CB 3.3Å; E525-A529 PolarHBondContact O-N 3.35Å; V526-A529 PolarHBondContact O-N 3.18Å; A529-P532 WeakPolarHBondContact O-CD 3.46Å
530	W	93.7	Very high	92.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-84.4	-15.8	-176.1	-74.5	86.2	0	0	0	114.2	W469 P475 F477 L479 L482 W503 V526 L527 E528 P532 L533 L534	W469-W530 HydrophobicContact CH2-CZ2 4.02Å; W469-W530 HydrophobicContact CZ2-CZ2 4.41Å; P475-W530 PolarHBondContact O-NE1 3.21Å; F477-W530 VanDerWaalsContact O-CZ2 3.28Å; F477-W530 WeakPolarHBondContact O-CZ2 3.45Å; L479-W530 HydrophobicContact CB-CH2 4.08Å; L479-W530 HydrophobicContact CB-CZ2 3.96Å; L479-W530 HydrophobicContact CD1-CD2 4.49Å; L482-W530 HydrophobicContact CB-CH2 4.32Å; L482-W530 HydrophobicContact CB-CZ3 4.06Å; L482-W530 HydrophobicContact CD1-CH2 3.62Å; L482-W530 HydrophobicContact CD1-CZ3 3.56Å; L482-W530 HydrophobicContact CG-CH2 4.38Å; L482-W530 HydrophobicContact CG-CZ3 4.38Å; W503-W530 AromaticContact CD1-CH2 3.75Å; W503-W530 AromaticContact CD1-CZ2 3.95Å; W503-W530 AromaticContact CD1-CZ3 3.8Å; W503-W530 AromaticContact CE2-CD2 3.85Å; W503-W530 AromaticContact CE2-CE3 3.96Å; W503-W530 HydrophobicContact CZ2-CB 3.98Å; W503-W530 AromaticContact CZ2-CD2 3.96Å; W503-W530 HydrophobicContact CZ2-CD2 3.96Å; W503-W530 HydrophobicContact CZ2-CE3 4.34Å; W503-W530 AromaticContact CZ2-CG 3.79Å; W503-W530 HydrophobicContact CZ2-CG 3.79Å; W503-W530 AromaticContact NE1-CD2 3.31Å; W503-W530 VanDerWaalsContact NE1-CD2 3.31Å; W503-W530 AromaticContact NE1-CE2 3.34Å; W503-W530 VanDerWaalsContact NE1-CE2 3.34Å; W503-W530 AromaticContact NE1-CE3 3.42Å; W503-W530 AromaticContact NE1-CH2 3.66Å; W503-W530 AromaticContact NE1-CZ2 3.5Å; W503-W530 AromaticContact NE1-CZ3 3.61Å; V526-W530 PolarHBondContact O-N 3.08Å; L527-W530 PolarHBondContact O-N 2.9Å; E528-W530 PolarHBondContact O-N 2.85Å; W530-P532 VanDerWaalsContact C-N 3.29Å; W530-P532 WeakPolarHBondContact O-CD 3.4Å; W530-L533 HydrophobicContact CE3-CB 4.46Å; W530-L533 HydrophobicContact CE3-CD1 4.07Å; W530-L533 HydrophobicContact CZ3-CD1 3.98Å; W530-L533 PolarHBondContact O-N 2.95Å; W530-L534 HydrophobicContact CB-CD1 3.74Å; W530-L534 HydrophobicContact CB-CD2 4.4Å; W530-L534 HydrophobicContact CB-CG 3.99Å; W530-L534 WeakPolarHBondContact O-CG 3.3Å; W530-L534 PolarHBondContact O-N 2.69Å
531	Q	91.4	Very high	92.8	Very high	105 Å²	105	55.1 Å²	55.1	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-43.4	-176.4	-174.4	179.6	-1.9	0	0	114.6	L527 L533 L534	L527-Q531 WeakPolarHBondContact O-CA 3.37Å; L527-Q531 WeakPolarHBondContact O-CB 3.45Å; L527-Q531 PolarHBondContact O-N 3.21Å; Q531-L533 PolarHBondContact O-N 3.18Å; Q531-L534 PolarHBondContact O-N 3.43Å
532	P	90.2	Very high	92.8	Very high	101 Å²	101	50.6 Å²	50.6	66%	0.656	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-16.6	-178.9	-19.5	33.9	0	0	0	115.3	A529 W530	A529-P532 WeakPolarHBondContact O-CD 3.46Å; W530-P532 VanDerWaalsContact C-N 3.29Å; W530-P532 WeakPolarHBondContact O-CD 3.4Å
533	L	89	Confident	92.9	Very high	16 Å²	16	49 Å²	49	8%	0.084	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-16.9	-180	-64	179.3	0	0	0	112.6	L479 W530 Q531	L479-L533 HydrophobicContact CD2-CD1 4.2Å; L479-L533 HydrophobicContact CG-CD1 4.07Å; W530-L533 HydrophobicContact CE3-CB 4.46Å; W530-L533 HydrophobicContact CE3-CD1 4.07Å; W530-L533 HydrophobicContact CZ3-CD1 3.98Å; W530-L533 PolarHBondContact O-N 2.95Å; Q531-L533 PolarHBondContact O-N 3.18Å
534	L	91.7	Very high	92.9	Very high	11 Å²	11	49 Å²	49	6%	0.058	25%	0.248	C	C	.	.	S	Bend	trans	-86.3	129.1	-174.6	-61.9	172.2	0	0	0	111	W503 W530 Q531 D536 M538 L539 I543	W503-L534 HydrophobicContact CD2-CD2 4.34Å; W503-L534 HydrophobicContact CE3-CD2 3.93Å; W503-L534 HydrophobicContact CH2-CD1 3.78Å; W503-L534 HydrophobicContact CH2-CD2 3.3Å; W503-L534 HydrophobicContact CH2-CG 4.19Å; W503-L534 HydrophobicContact CZ2-CD1 4.27Å; W503-L534 HydrophobicContact CZ2-CD2 3.71Å; W503-L534 HydrophobicContact CZ3-CD2 3.42Å; W503-L534 VanDerWaalsContact CZ3-CD2 3.42Å; W530-L534 HydrophobicContact CB-CD1 3.74Å; W530-L534 HydrophobicContact CB-CD2 4.4Å; W530-L534 HydrophobicContact CB-CG 3.99Å; W530-L534 WeakPolarHBondContact O-CG 3.3Å; W530-L534 PolarHBondContact O-N 2.69Å; Q531-L534 PolarHBondContact O-N 3.43Å; L534-D536 PolarHBondContact O-N 3.37Å; L534-M538 HydrophobicContact CB-CE 4.25Å; L534-M538 HydrophobicContact CD2-CE 3.2Å; L534-M538 HydrophobicContact CG-CE 4.25Å; L534-L539 HydrophobicContact CD1-CD1 4.44Å; L534-I543 HydrophobicContact CD1-CD1 4.31Å
535	P	91.4	Very high	92.8	Very high	36 Å²	36	50.6 Å²	50.6	23%	0.234	26%	0.257	C	S	.	.			trans	-59.8	134.9	167.7	-24.7	34.7	0	0	0	111.2	D496 D537 M538 L539	D496-P535 WeakPolarHBondContact OD1-CG 3.43Å; P535-D537 PolarHBondContact O-N 3.47Å; P535-D537 VanDerWaalsContact O-N 3.15Å; P535-M538 HydrophobicContact CB-CB 4.33Å; P535-M538 WeakPolarHBondContact O-CB 3.36Å; P535-M538 PolarHBondContact O-N 2.87Å; P535-L539 PolarHBondContact O-N 3.41Å
536	D	90.4	Very high	92.8	Very high	132 Å²	132	51 Å²	51	71%	0.706	26%	0.258	S	S	*	.	H	α-helix	trans	-52.7	-40.9	-179.1	-71.3	-32.1	0	0	0	112	L534 M538 L539 Q540	L534-D536 PolarHBondContact O-N 3.37Å; D536-M538 PolarHBondContact O-N 2.81Å; D536-L539 PolarHBondContact O-N 2.97Å; D536-Q540 WeakPolarHBondContact O-CB 3.34Å; D536-Q540 VanDerWaalsContact O-CG 3.26Å; D536-Q540 WeakPolarHBondContact O-CG 3.49Å; D536-Q540 PolarHBondContact O-N 3.39Å
537	D	90.8	Very high	92.8	Very high	73 Å²	73	51.7 Å²	51.7	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-60.2	-44.3	179.1	-175.1	70.5	0	0	0	113	P535 R541	P535-D537 PolarHBondContact O-N 3.47Å; P535-D537 VanDerWaalsContact O-N 3.15Å; D537-R541 VanDerWaalsContact CG-NE 3.35Å; D537-R541 WeakPolarHBondContact O-CB 3.32Å; D537-R541 PolarHBondContact O-N 3.03Å; D537-R541 IonicContact OD1-CZ 2.66Å; D537-R541 IonicContact OD1-NE 3.45Å; D537-R541 PolarHBondContact OD1-NE 3.35Å; D537-R541 IonicContact OD1-NH2 2.65Å; D537-R541 PolarHBondContact OD1-NH2 3.49Å; D537-R541 IonicContact OD2-CZ 2.99Å; D537-R541 IonicContact OD2-NE 3.95Å; D537-R541 PolarHBondContact OD2-NE 2.96Å; D537-R541 IonicContact OD2-NH2 3.35Å; D537-R541 PolarHBondContact OD2-NH2 2.71Å
538	M	92.5	Very high	92.9	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.039	26%	0.262	C	S	.	.	I	π-helix	trans	-67.9	-44.2	178.9	-174	177.5	76.1	0	0	110.4	L499 W503 L504 L534 P535 D536 K542 I543	L499-M538 HydrophobicContact CB-CE 4.29Å; L499-M538 HydrophobicContact CB-SD 4.32Å; L499-M538 HydrophobicContact CD1-CE 4.35Å; W503-M538 HydrophobicContact CE3-CE 3.99Å; W503-M538 HydrophobicContact CZ3-CE 3.71Å; L504-M538 HydrophobicContact CB-SD 4.49Å; L504-M538 HydrophobicContact CD2-CG 4.42Å; L504-M538 HydrophobicContact CD2-SD 4.34Å; L534-M538 HydrophobicContact CB-CE 4.25Å; L534-M538 HydrophobicContact CD2-CE 3.2Å; L534-M538 HydrophobicContact CG-CE 4.25Å; P535-M538 HydrophobicContact CB-CB 4.33Å; P535-M538 WeakPolarHBondContact O-CB 3.36Å; P535-M538 PolarHBondContact O-N 2.87Å; D536-M538 PolarHBondContact O-N 2.81Å; M538-K542 HydrophobicContact CG-CB 4.25Å; M538-K542 HydrophobicContact CG-CD 4.23Å; M538-K542 WeakPolarHBondContact O-CA 3.26Å; M538-K542 WeakPolarHBondContact O-CB 3.09Å; M538-K542 PolarHBondContact O-N 3.02Å; M538-I543 HydrophobicContact CE-CD1 4.48Å; M538-I543 PolarHBondContact O-N 3.16Å
539	L	94.1	Very high	92.9	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	24%	0.239	C	C	.	.	I	π-helix	trans	-60.4	-50.1	177.2	178.6	62.4	0	0	0	111.4	L527 L534 P535 D536 I543 L544 W578	L527-L539 HydrophobicContact CD2-CD1 4.28Å; L534-L539 HydrophobicContact CD1-CD1 4.44Å; P535-L539 PolarHBondContact O-N 3.41Å; D536-L539 PolarHBondContact O-N 2.97Å; L539-I543 HydrophobicContact CD1-CD1 4.27Å; L539-I543 WeakPolarHBondContact O-CB 3.2Å; L539-L544 HydrophobicContact CG-CD1 4.31Å; L539-L544 WeakPolarHBondContact O-CB 3.3Å; L539-L544 WeakPolarHBondContact O-CG 3.32Å; L539-L544 PolarHBondContact O-N 3.35Å; L539-W578 HydrophobicContact CD1-CE3 4.44Å; L539-W578 HydrophobicContact CD1-CZ3 4.27Å; L539-W578 HydrophobicContact CD2-CE3 4.4Å; L539-W578 HydrophobicContact CD2-CZ3 4.1Å
540	Q	93.7	Very high	92.9	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	24%	0.241	S	C	.	.	I	π-helix	trans	-72.5	-50.9	-174.4	-66.5	-61	-30.5	0	0	112.7	D536 D545 W578 R584	D536-Q540 WeakPolarHBondContact O-CB 3.34Å; D536-Q540 VanDerWaalsContact O-CG 3.26Å; D536-Q540 WeakPolarHBondContact O-CG 3.49Å; D536-Q540 PolarHBondContact O-N 3.39Å; Q540-D545 PolarHBondContact O-N 2.91Å; Q540-D545 VanDerWaalsContact O-N 3.15Å; Q540-W578 PolarHBondContact NE2-O 3.26Å; Q540-R584 PolarHBondContact O-NH2 2.8Å
541	R	92.7	Very high	92.9	Very high	137 Å²	137	49.8 Å²	49.8	52%	0.517	25%	0.252	S	S	.	.	I	π-helix	trans	-86.4	-49.9	-174.1	-62.2	-166.2	-65.7	174.2	-4.5	112.8	D537 D545 Q546	D537-R541 VanDerWaalsContact CG-NE 3.35Å; D537-R541 WeakPolarHBondContact O-CB 3.32Å; D537-R541 PolarHBondContact O-N 3.03Å; D537-R541 IonicContact OD1-CZ 2.66Å; D537-R541 IonicContact OD1-NE 3.45Å; D537-R541 PolarHBondContact OD1-NE 3.35Å; D537-R541 IonicContact OD1-NH2 2.65Å; D537-R541 PolarHBondContact OD1-NH2 3.49Å; D537-R541 IonicContact OD2-CZ 2.99Å; D537-R541 IonicContact OD2-NE 3.95Å; D537-R541 PolarHBondContact OD2-NE 2.96Å; D537-R541 IonicContact OD2-NH2 3.35Å; D537-R541 PolarHBondContact OD2-NH2 2.71Å; R541-D545 WeakPolarHBondContact O-CB 3.08Å; R541-Q546 VanDerWaalsContact O-CG 3.26Å; R541-Q546 WeakPolarHBondContact O-CG 3.34Å; R541-Q546 PolarHBondContact O-N 2.94Å
542	K	93.5	Very high	93.1	Very high	39 Å²	39	44.8 Å²	44.8	17%	0.17	23%	0.228	C	C	.	.	I	π-helix	trans	-82.6	-37.3	-171.3	-59.7	-173.9	-171.7	174.7	0	112	E500 L504 M538 Q546 L547	E500-K542 IonicContact OE1-NZ 2.97Å; E500-K542 PolarHBondContact OE1-NZ 3.31Å; E500-K542 IonicContact OE2-NZ 3.42Å; E500-K542 PolarHBondContact OE2-NZ 3.1Å; L504-K542 HydrophobicContact CD2-CB 4.17Å; L504-K542 HydrophobicContact CD2-CD 3.92Å; M538-K542 HydrophobicContact CG-CB 4.25Å; M538-K542 HydrophobicContact CG-CD 4.23Å; M538-K542 WeakPolarHBondContact O-CA 3.26Å; M538-K542 WeakPolarHBondContact O-CB 3.09Å; M538-K542 PolarHBondContact O-N 3.02Å; K542-Q546 WeakPolarHBondContact O-CB 3.5Å; K542-L547 VanDerWaalsContact O-CG 3.3Å; K542-L547 WeakPolarHBondContact O-CG 3.05Å
543	I	95.4	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-89.8	-60.9	-177.6	-57.2	176.6	0	0	0	110.7	W503 L504 L527 L534 M538 L539 L547 I548	W503-I543 HydrophobicContact CH2-CD1 3.81Å; W503-I543 HydrophobicContact CZ3-CD1 3.74Å; L504-I543 HydrophobicContact CD1-CD1 4.5Å; L504-I543 HydrophobicContact CD1-CG1 3.89Å; L527-I543 HydrophobicContact CD2-CG2 3.95Å; L534-I543 HydrophobicContact CD1-CD1 4.31Å; M538-I543 HydrophobicContact CE-CD1 4.48Å; M538-I543 PolarHBondContact O-N 3.16Å; L539-I543 HydrophobicContact CD1-CD1 4.27Å; L539-I543 WeakPolarHBondContact O-CB 3.2Å; I543-L547 WeakPolarHBondContact O-CB 3.48Å; I543-L547 PolarHBondContact O-N 3.31Å; I543-I548 HydrophobicContact CG2-CD1 3.69Å; I543-I548 HydrophobicContact CG2-CG1 4.45Å; I543-I548 PolarHBondContact O-N 2.82Å
544	L	94.7	Very high	93.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-69.5	-55	-173.7	-67.7	170.4	0	0	0	112.2	L539 I548 L549 W575 W578 F579	L539-L544 HydrophobicContact CG-CD1 4.31Å; L539-L544 WeakPolarHBondContact O-CB 3.3Å; L539-L544 WeakPolarHBondContact O-CG 3.32Å; L539-L544 PolarHBondContact O-N 3.35Å; L544-I548 HydrophobicContact CD2-CD1 3.98Å; L544-I548 PolarHBondContact O-N 3.03Å; L544-L549 VanDerWaalsContact O-CB 3.26Å; L544-L549 WeakPolarHBondContact O-CB 3.33Å; L544-L549 PolarHBondContact O-N 3.08Å; L544-W575 HydrophobicContact CD2-CE3 4.17Å; L544-W575 HydrophobicContact CD2-CZ3 4.08Å; L544-W578 HydrophobicContact CD1-CB 4.31Å; L544-W578 VanDerWaalsContact CD1-O 3.3Å; L544-W578 WeakPolarHBondContact CD1-O 3.37Å; L544-W578 HydrophobicContact CD2-CB 4.07Å; L544-F579 HydrophobicContact CB-CD1 4.4Å; L544-F579 HydrophobicContact CB-CE1 3.81Å; L544-F579 HydrophobicContact CB-CZ 3.93Å; L544-F579 HydrophobicContact CD2-CD2 4.4Å; L544-F579 HydrophobicContact CD2-CE2 3.92Å; L544-F579 HydrophobicContact CD2-CZ 4.02Å
545	D	92.7	Very high	93.6	Very high	58 Å²	58	47.4 Å²	47.4	31%	0.31	24%	0.236	S	C	.	.	I	π-helix	trans	-73.1	-41	-176.6	-74.8	-32.6	0	0	0	114.3	Q540 R541 P550 R584	Q540-D545 PolarHBondContact O-N 2.91Å; Q540-D545 VanDerWaalsContact O-N 3.15Å; R541-D545 WeakPolarHBondContact O-CB 3.08Å; D545-P550 WeakPolarHBondContact O-CD 3.42Å; D545-R584 IonicContact OD1-CZ 2.76Å; D545-R584 IonicContact OD1-NE 3.06Å; D545-R584 PolarHBondContact OD1-NE 3.46Å; D545-R584 IonicContact OD1-NH2 3.47Å; D545-R584 PolarHBondContact OD1-NH2 3.45Å; D545-R584 IonicContact OD2-CZ 2.77Å; D545-R584 IonicContact OD2-NH2 3.12Å; D545-R584 PolarHBondContact OD2-NH2 3.25Å
546	Q	94.3	Very high	93.7	Very high	118 Å²	118	45.7 Å²	45.7	55%	0.551	23%	0.225	S	C	*	.	I	π-helix	trans	-92	-27.5	-171.8	-71.7	174.7	9.2	0	0	114.2	R541 K542	R541-Q546 VanDerWaalsContact O-CG 3.26Å; R541-Q546 WeakPolarHBondContact O-CG 3.34Å; R541-Q546 PolarHBondContact O-N 2.94Å; K542-Q546 WeakPolarHBondContact O-CB 3.5Å
547	L	94.8	Very high	93.7	Very high	17 Å²	17	42 Å²	42	9%	0.089	21%	0.21	C	C	.	.	I	π-helix	trans	-108.9	-50.8	-176.6	-58.9	176.6	0	0	0	112.3	L504 R508 I511 K542 I543 K551	L504-L547 HydrophobicContact CD1-CD1 4.23Å; R508-L547 HydrophobicContact CB-CD1 4.04Å; R508-L547 HydrophobicContact CB-CD2 4.47Å; R508-L547 HydrophobicContact CG-CD1 4.24Å; R508-L547 HydrophobicContact CG-CD2 3.76Å; I511-L547 HydrophobicContact CD1-CB 4.28Å; I511-L547 HydrophobicContact CD1-CD1 4.25Å; I511-L547 HydrophobicContact CG2-CB 4.06Å; K542-L547 VanDerWaalsContact O-CG 3.3Å; K542-L547 WeakPolarHBondContact O-CG 3.05Å; I543-L547 WeakPolarHBondContact O-CB 3.48Å; I543-L547 PolarHBondContact O-N 3.31Å; L547-K551 VanDerWaalsContact O-CG 3.24Å; L547-K551 WeakPolarHBondContact O-CG 3.44Å
548	I	95.6	Very high	93.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-82.2	-47.1	-171.8	-66.2	168.8	0	0	0	111.5	I511 W515 L523 L527 I543 L544 K551 L552 W575 F579	I511-I548 HydrophobicContact CD1-CG1 4.24Å; W515-I548 HydrophobicContact CH2-CG2 4.02Å; W515-I548 HydrophobicContact CZ3-CG1 4.46Å; W515-I548 HydrophobicContact CZ3-CG2 4.41Å; L523-I548 HydrophobicContact CD2-CD1 4.08Å; L523-I548 HydrophobicContact CD2-CG1 4.19Å; L527-I548 HydrophobicContact CD1-CD1 3.87Å; I543-I548 HydrophobicContact CG2-CD1 3.69Å; I543-I548 HydrophobicContact CG2-CG1 4.45Å; I543-I548 PolarHBondContact O-N 2.82Å; L544-I548 HydrophobicContact CD2-CD1 3.98Å; L544-I548 PolarHBondContact O-N 3.03Å; I548-K551 WeakPolarHBondContact O-CB 3.48Å; I548-K551 PolarHBondContact O-N 3.06Å; I548-K551 VanDerWaalsContact O-N 3.16Å; I548-L552 HydrophobicContact CG2-CD1 3.77Å; I548-L552 HydrophobicContact CG2-CG 4.09Å; I548-L552 WeakPolarHBondContact O-CG 3.39Å; I548-L552 PolarHBondContact O-N 2.67Å; I548-W575 HydrophobicContact CD1-CH2 3.71Å; I548-W575 HydrophobicContact CD1-CZ3 3.64Å; I548-W575 HydrophobicContact CG1-CH2 4.45Å; I548-W575 HydrophobicContact CG2-CD2 4.16Å; I548-W575 HydrophobicContact CG2-CE3 4.01Å; I548-W575 HydrophobicContact CG2-CH2 4.04Å; I548-W575 HydrophobicContact CG2-CZ2 4.17Å; I548-W575 HydrophobicContact CG2-CZ3 3.95Å; I548-F579 HydrophobicContact CG2-CE2 4.3Å; I548-F579 HydrophobicContact CG2-CZ 4.23Å
549	L	94	Very high	93.7	Very high	25 Å²	25	42.7 Å²	42.7	13%	0.131	22%	0.22	C	C	.	.	H	α-helix	trans	-57.5	-45.4	-177.8	179.4	64.7	0	0	0	113	L544 K551 L552 Q553 F579 L585 L588	L544-L549 VanDerWaalsContact O-CB 3.26Å; L544-L549 WeakPolarHBondContact O-CB 3.33Å; L544-L549 PolarHBondContact O-N 3.08Å; L549-K551 VanDerWaalsContact C-N 3.34Å; L549-K551 PolarHBondContact O-N 3.27Å; L549-L552 PolarHBondContact O-N 3.37Å; L549-Q553 WeakPolarHBondContact O-CG 3.43Å; L549-Q553 PolarHBondContact O-N 3.42Å; L549-F579 HydrophobicContact CB-CE1 4.02Å; L549-F579 HydrophobicContact CB-CZ 4.04Å; L549-F579 HydrophobicContact CD1-CE1 4.32Å; L549-F579 HydrophobicContact CD1-CZ 4.49Å; L549-L585 HydrophobicContact CD1-CD2 3.77Å; L549-L588 HydrophobicContact CD1-CD1 4.11Å
550	P	93.7	Very high	93.4	Very high	46 Å²	46	45.4 Å²	45.4	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-64.2	-39.8	177.1	-23	36.6	0	0	0	112	D545 L552 Q553 D554	D545-P550 WeakPolarHBondContact O-CD 3.42Å; P550-L552 VanDerWaalsContact C-N 3.32Å; P550-L552 PolarHBondContact O-N 3.3Å; P550-Q553 WeakPolarHBondContact O-CB 3.43Å; P550-Q553 PolarHBondContact O-N 3.39Å; P550-Q553 VanDerWaalsContact O-N 3.14Å; P550-D554 PolarHBondContact O-N 3.02Å
551	K	94.6	Very high	92.9	Very high	52 Å²	52	44 Å²	44	23%	0.226	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-39.6	175.4	-75	-75.6	-170.5	158.7	0	112.3	I511 V512 W515 P517 L547 I548 L549 D554 A555	I511-K551 HydrophobicContact CG2-CG 4.35Å; I511-K551 VanDerWaalsContact O-CE 3.23Å; I511-K551 WeakPolarHBondContact O-CE 3.37Å; I511-K551 PolarHBondContact O-NZ 3.24Å; V512-K551 PolarHBondContact O-NZ 3.05Å; W515-K551 HydrophobicContact CE3-CB 4.3Å; W515-K551 HydrophobicContact CE3-CG 4.41Å; W515-K551 HydrophobicContact CZ3-CB 3.67Å; W515-K551 HydrophobicContact CZ3-CG 4.19Å; P517-K551 HydrophobicContact CG-CB 4.2Å; L547-K551 VanDerWaalsContact O-CG 3.24Å; L547-K551 WeakPolarHBondContact O-CG 3.44Å; I548-K551 WeakPolarHBondContact O-CB 3.48Å; I548-K551 PolarHBondContact O-N 3.06Å; I548-K551 VanDerWaalsContact O-N 3.16Å; L549-K551 VanDerWaalsContact C-N 3.34Å; L549-K551 PolarHBondContact O-N 3.27Å; K551-D554 PolarHBondContact O-N 3.43Å; K551-A555 WeakPolarHBondContact O-CB 3.47Å; K551-A555 PolarHBondContact O-N 2.96Å
552	L	95.4	Very high	92.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.7	-39.2	173.9	-66.9	175.7	0	0	0	111.4	W515 P517 I548 L549 P550 D554 A555 V556 W571 L572 W575 F579 L588	W515-L552 HydrophobicContact CH2-CD2 4.26Å; P517-L552 HydrophobicContact CB-CD2 4.15Å; I548-L552 HydrophobicContact CG2-CD1 3.77Å; I548-L552 HydrophobicContact CG2-CG 4.09Å; I548-L552 WeakPolarHBondContact O-CG 3.39Å; I548-L552 PolarHBondContact O-N 2.67Å; L549-L552 PolarHBondContact O-N 3.37Å; P550-L552 VanDerWaalsContact C-N 3.32Å; P550-L552 PolarHBondContact O-N 3.3Å; L552-D554 VanDerWaalsContact C-N 3.35Å; L552-D554 PolarHBondContact O-N 3.28Å; L552-A555 PolarHBondContact O-N 3.35Å; L552-V556 WeakPolarHBondContact O-CB 3.31Å; L552-V556 VanDerWaalsContact O-CG2 3.26Å; L552-V556 WeakPolarHBondContact O-CG2 3.45Å; L552-V556 PolarHBondContact O-N 3.09Å; L552-W571 HydrophobicContact CD2-CE3 4.22Å; L552-W571 HydrophobicContact CD2-CZ3 4.22Å; L552-L572 HydrophobicContact CB-CD2 4.43Å; L552-L572 HydrophobicContact CD2-CD2 4.09Å; L552-W575 HydrophobicContact CD1-CB 4.4Å; L552-W575 HydrophobicContact CD1-CD2 4.37Å; L552-W575 HydrophobicContact CD1-CG 3.96Å; L552-F579 HydrophobicContact CD1-CE2 4.22Å; L552-L588 HydrophobicContact CB-CD1 3.91Å
553	Q	94.4	Very high	92	Very high	72 Å²	72	46.9 Å²	46.9	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-43.9	173.9	-71.6	173	1.1	0	0	111.8	L549 P550 V556 S557 L588	L549-Q553 WeakPolarHBondContact O-CG 3.43Å; L549-Q553 PolarHBondContact O-N 3.42Å; P550-Q553 WeakPolarHBondContact O-CB 3.43Å; P550-Q553 PolarHBondContact O-N 3.39Å; P550-Q553 VanDerWaalsContact O-N 3.14Å; Q553-V556 PolarHBondContact O-N 2.99Å; Q553-S557 VanDerWaalsContact O-CB 3.25Å; Q553-S557 WeakPolarHBondContact O-CB 3.44Å; Q553-S557 PolarHBondContact O-N 3.16Å; Q553-S557 PolarHBondContact O-OG 3.37Å; Q553-L588 VanDerWaalsContact CA-CD2 3.45Å; Q553-L588 HydrophobicContact CB-CD2 3.96Å; Q553-L588 HydrophobicContact CG-CD2 3.36Å; Q553-L588 HydrophobicContact CG-CG 4.28Å
554	D	94.8	Very high	91.4	Very high	101 Å²	101	48.4 Å²	48.4	54%	0.54	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-40.6	176.5	-69	-21.1	0	0	0	112.1	P550 K551 L552 S557 S558	P550-D554 PolarHBondContact O-N 3.02Å; K551-D554 PolarHBondContact O-N 3.43Å; L552-D554 VanDerWaalsContact C-N 3.35Å; L552-D554 PolarHBondContact O-N 3.28Å; D554-S557 WeakPolarHBondContact CA-OG 3.38Å; D554-S557 PolarHBondContact O-N 3.49Å; D554-S557 PolarHBondContact O-OG 3.02Å; D554-S558 WeakPolarHBondContact O-CB 3.33Å; D554-S558 PolarHBondContact O-N 3.41Å; D554-S558 PolarHBondContact O-OG 3.34Å
555	A	92.5	Very high	90.9	Very high	11 Å²	11	54.7 Å²	54.7	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-42.2	175.9	0	0	0	0	0	112	P517 K551 L552 S558 W559 W571	P517-A555 HydrophobicContact CB-CB 3.72Å; P517-A555 HydrophobicContact CG-CB 4.04Å; K551-A555 WeakPolarHBondContact O-CB 3.47Å; K551-A555 PolarHBondContact O-N 2.96Å; L552-A555 PolarHBondContact O-N 3.35Å; A555-S558 PolarHBondContact O-OG 2.71Å; A555-W559 WeakPolarHBondContact O-CB 3.47Å; A555-W559 PolarHBondContact O-N 2.97Å; A555-W571 HydrophobicContact CB-CH2 3.97Å; A555-W571 HydrophobicContact CB-CZ3 4.02Å
556	V	93	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70	-39.6	176.7	173.5	0	0	0	0	111.5	L552 Q553 W559 W571 L572 L588 M591 V592 K595	L552-V556 WeakPolarHBondContact O-CB 3.31Å; L552-V556 VanDerWaalsContact O-CG2 3.26Å; L552-V556 WeakPolarHBondContact O-CG2 3.45Å; L552-V556 PolarHBondContact O-N 3.09Å; Q553-V556 PolarHBondContact O-N 2.99Å; V556-W559 PolarHBondContact O-N 2.87Å; V556-W571 HydrophobicContact CB-CH2 4.46Å; V556-W571 HydrophobicContact CG2-CH2 3.51Å; V556-W571 HydrophobicContact CG2-CZ3 3.85Å; V556-L572 HydrophobicContact CG2-CD1 3.72Å; V556-L572 HydrophobicContact CG2-CD2 4.01Å; V556-L572 HydrophobicContact CG2-CG 4.28Å; V556-L588 HydrophobicContact CB-CD2 4.21Å; V556-L588 HydrophobicContact CG2-CD2 4.1Å; V556-M591 HydrophobicContact CG1-CB 3.89Å; V556-M591 HydrophobicContact CG1-CE 4.32Å; V556-V592 HydrophobicContact CG1-CG2 3.81Å; V556-K595 WeakPolarHBondContact O-CE 3.36Å
557	S	91.3	Very high	90.4	Very high	55 Å²	55	51.3 Å²	51.3	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-40.1	179.5	72.9	0	0	0	0	111.8	Q553 D554 K595	Q553-S557 VanDerWaalsContact O-CB 3.25Å; Q553-S557 WeakPolarHBondContact O-CB 3.44Å; Q553-S557 PolarHBondContact O-N 3.16Å; Q553-S557 PolarHBondContact O-OG 3.37Å; D554-S557 WeakPolarHBondContact CA-OG 3.38Å; D554-S557 PolarHBondContact O-N 3.49Å; D554-S557 PolarHBondContact O-OG 3.02Å; S557-K595 WeakPolarHBondContact O-CE 3.43Å; S557-K595 PolarHBondContact O-NZ 2.9Å
558	S	90.9	Very high	90.2	Very high	85 Å²	85	50.6 Å²	50.6	59%	0.594	30%	0.295	S	S	*	.	H	α-helix	trans	-79.3	-20.9	176.7	60.8	0	0	0	0	113.7	D554 A555 N560	D554-S558 WeakPolarHBondContact O-CB 3.33Å; D554-S558 PolarHBondContact O-N 3.41Å; D554-S558 PolarHBondContact O-OG 3.34Å; A555-S558 PolarHBondContact O-OG 2.71Å; S558-N560 PolarHBondContact O-N 3.26Å
559	W	91.5	Very high	89.9	Confident	9 Å²	9	52.8 Å²	52.8	3%	0.034	31%	0.305	C	S	.	.			trans	-62.1	135.6	177	169.8	70.4	0	0	0	112.4	A555 V556 P561 D564 V568 V592 K595 L596	A555-W559 WeakPolarHBondContact O-CB 3.47Å; A555-W559 PolarHBondContact O-N 2.97Å; V556-W559 PolarHBondContact O-N 2.87Å; W559-P561 HydrophobicContact CD2-CG 4.4Å; W559-P561 HydrophobicContact CE3-CG 4.28Å; W559-P561 HydrophobicContact CH2-CB 3.87Å; W559-P561 HydrophobicContact CH2-CG 3.51Å; W559-P561 HydrophobicContact CZ2-CB 3.49Å; W559-P561 VanDerWaalsContact CZ2-CB 3.49Å; W559-P561 HydrophobicContact CZ2-CG 3.55Å; W559-P561 HydrophobicContact CZ3-CG 3.86Å; W559-D564 VanDerWaalsContact CD1-OD2 3.29Å; W559-V568 HydrophobicContact CD2-CG2 3.16Å; W559-V568 HydrophobicContact CE3-CG2 3.57Å; W559-V568 HydrophobicContact CG-CG2 3.66Å; W559-V568 HydrophobicContact CH2-CB 4.26Å; W559-V568 HydrophobicContact CH2-CG2 3.48Å; W559-V568 VanDerWaalsContact CH2-CG2 3.48Å; W559-V568 HydrophobicContact CZ2-CB 4.19Å; W559-V568 HydrophobicContact CZ2-CG2 3.14Å; W559-V568 HydrophobicContact CZ3-CG2 3.71Å; W559-V568 VanDerWaalsContact NE1-CG2 3.32Å; W559-V592 HydrophobicContact CH2-CG1 4.43Å; W559-V592 HydrophobicContact CZ3-CG1 4.14Å; W559-V592 HydrophobicContact CZ3-CG2 4.35Å; W559-K595 HydrophobicContact CE3-CB 4.46Å; W559-K595 HydrophobicContact CE3-CD 3.89Å; W559-K595 HydrophobicContact CZ3-CB 4.09Å; W559-K595 HydrophobicContact CZ3-CD 4.3Å; W559-K595 PolarHBondContact O-NZ 3.18Å; W559-L596 HydrophobicContact CH2-CD2 3.73Å; W559-L596 HydrophobicContact CH2-CG 4.05Å; W559-L596 HydrophobicContact CZ2-CD2 4.43Å
560	N	87.6	Confident	89.8	Confident	65 Å²	65	54.6 Å²	54.6	35%	0.348	32%	0.317	S	S	.	.			trans	-123.8	116.2	175	-179.8	1.7	0	0	0	110.2	S558 L562 T563 D564	S558-N560 PolarHBondContact O-N 3.26Å; N560-L562 PolarHBondContact O-N 3.21Å; N560-L562 PolarHBondContact OD1-N 3.22Å; N560-T563 WeakPolarHBondContact CB-OG1 3.26Å; N560-T563 PolarHBondContact ND2-OG1 2.81Å; N560-T563 PolarHBondContact O-N 3.32Å; N560-T563 PolarHBondContact O-OG1 3.42Å; N560-D564 WeakPolarHBondContact O-CB 3.28Å; N560-D564 PolarHBondContact O-N 3.32Å; N560-D564 VanDerWaalsContact O-N 3.14Å
561	P	83.5	Confident	89.8	Confident	33 Å²	33	52.5 Å²	52.5	21%	0.214	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.7	-174.4	-14.6	25	0	0	0	114.7	W559 K595 L596 C599	W559-P561 HydrophobicContact CD2-CG 4.4Å; W559-P561 HydrophobicContact CE3-CG 4.28Å; W559-P561 HydrophobicContact CH2-CB 3.87Å; W559-P561 HydrophobicContact CH2-CG 3.51Å; W559-P561 HydrophobicContact CZ2-CB 3.49Å; W559-P561 VanDerWaalsContact CZ2-CB 3.49Å; W559-P561 HydrophobicContact CZ2-CG 3.55Å; W559-P561 HydrophobicContact CZ3-CG 3.86Å; P561-K595 HydrophobicContact CG-CB 4.17Å; P561-L596 HydrophobicContact CB-CD2 4.15Å; P561-L596 HydrophobicContact CG-CD2 4.27Å; P561-C599 HydrophobicContact CB-CB 4.42Å; P561-C599 WeakPolarHBondContact CG-SG 3.49Å
562	L	82.5	Confident	89.7	Confident	133 Å²	133	50.1 Å²	50.1	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-24.4	-175.2	-64.5	176.4	0	0	0	113.4	N560 C599	N560-L562 PolarHBondContact O-N 3.21Å; N560-L562 PolarHBondContact OD1-N 3.22Å; L562-C599 HydrophobicContact CD2-CB 4Å; L562-C599 HydrophobicContact CG-CB 4.28Å
563	T	84.4	Confident	89.5	Confident	105 Å²	105	51.9 Å²	51.9	64%	0.644	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-21.6	-173.7	56	0	0	0	0	112.6	N560	N560-T563 WeakPolarHBondContact CB-OG1 3.26Å; N560-T563 PolarHBondContact ND2-OG1 2.81Å; N560-T563 PolarHBondContact O-N 3.32Å; N560-T563 PolarHBondContact O-OG1 3.42Å
564	D	83.7	Confident	89.4	Confident	31 Å²	31	50.6 Å²	50.6	17%	0.166	30%	0.299	C	S	.	.			trans	-78.4	136.5	-175.3	-144.4	-44.1	0	0	0	112.2	R518 W559 N560 V566	R518-D564 IonicContact CZ-OD2 3.36Å; R518-D564 VanDerWaalsContact NH1-CG 3.31Å; R518-D564 IonicContact NH1-OD1 2.72Å; R518-D564 PolarHBondContact NH1-OD1 3.02Å; R518-D564 VanDerWaalsContact NH1-OD1 3.12Å; R518-D564 IonicContact NH1-OD2 2.94Å; R518-D564 PolarHBondContact NH1-OD2 3.09Å; R518-D564 IonicContact NH2-OD2 2.92Å; R518-D564 PolarHBondContact NH2-OD2 3.24Å; W559-D564 VanDerWaalsContact CD1-OD2 3.29Å; N560-D564 WeakPolarHBondContact O-CB 3.28Å; N560-D564 PolarHBondContact O-N 3.32Å; N560-D564 VanDerWaalsContact O-N 3.14Å; D564-V566 PolarHBondContact OD1-N 2.99Å; D564-V566 VanDerWaalsContact OD1-N 3.09Å
565	T	83.4	Confident	89.3	Confident	132 Å²	132	45.8 Å²	45.8	81%	0.81	27%	0.273	S	S	*	.	S	Bend	trans	-88.3	-24.1	177.1	54.2	0	0	0	0	112.1	P567	T565-P567 WeakPolarHBondContact O-CD 3.1Å
566	V	88	Confident	89.2	Confident	52 Å²	52	46.6 Å²	46.6	32%	0.315	28%	0.276	S	S	.	.	S	Bend	trans	-96	117.1	-178.6	-176.5	0	0	0	0	109.3	D564 V568 T570	D564-V566 PolarHBondContact OD1-N 2.99Å; D564-V566 VanDerWaalsContact OD1-N 3.09Å; V566-V568 PolarHBondContact O-N 3.43Å; V566-T570 WeakPolarHBondContact CG1-OG1 3.21Å
567	P	87.8	Confident	89	Confident	53 Å²	53	51.5 Å²	51.5	34%	0.344	31%	0.308	S	S	.	.			trans	-64.6	135.9	178.3	-20.7	33.1	0	0	0	111.6	T565 H569 T570	T565-P567 WeakPolarHBondContact O-CD 3.1Å; P567-H569 VanDerWaalsContact CB-CE1 3.42Å; P567-H569 WeakPolarHBondContact CB-CE1 3.42Å; P567-H569 WeakPolarHBondContact CB-ND1 3.46Å; P567-H569 PolarHBondContact O-N 3.2Å; P567-H569 VanDerWaalsContact O-N 3.13Å; P567-T570 HydrophobicContact CB-CG2 4.22Å; P567-T570 HydrophobicContact CG-CG2 4.43Å; P567-T570 PolarHBondContact O-N 2.87Å; P567-T570 PolarHBondContact O-OG1 3.47Å
568	V	90.6	Very high	89	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.5	-174.3	174.6	0	0	0	0	114.7	W559 V566 T570 W571 L572 V592 W617	W559-V568 HydrophobicContact CD2-CG2 3.16Å; W559-V568 HydrophobicContact CE3-CG2 3.57Å; W559-V568 HydrophobicContact CG-CG2 3.66Å; W559-V568 HydrophobicContact CH2-CB 4.26Å; W559-V568 HydrophobicContact CH2-CG2 3.48Å; W559-V568 VanDerWaalsContact CH2-CG2 3.48Å; W559-V568 HydrophobicContact CZ2-CB 4.19Å; W559-V568 HydrophobicContact CZ2-CG2 3.14Å; W559-V568 HydrophobicContact CZ3-CG2 3.71Å; W559-V568 VanDerWaalsContact NE1-CG2 3.32Å; V566-V568 PolarHBondContact O-N 3.43Å; V568-T570 PolarHBondContact O-N 3.1Å; V568-T570 VanDerWaalsContact O-N 3.16Å; V568-W571 HydrophobicContact CB-CZ2 4.14Å; V568-W571 HydrophobicContact CG1-CH2 4.06Å; V568-W571 HydrophobicContact CG1-CZ2 3.77Å; V568-W571 HydrophobicContact CG2-CZ2 3.8Å; V568-W571 PolarHBondContact O-N 3.25Å; V568-L572 HydrophobicContact CG1-CB 4.32Å; V568-L572 HydrophobicContact CG1-CD1 3.31Å; V568-L572 HydrophobicContact CG1-CG 3.7Å; V568-L572 PolarHBondContact O-N 3.21Å; V568-V592 HydrophobicContact CG1-CG2 4.06Å; V568-W617 HydrophobicContact CB-CZ2 4.37Å; V568-W617 HydrophobicContact CG1-CH2 4.45Å; V568-W617 HydrophobicContact CG1-CZ2 3.97Å
569	H	90.5	Very high	89	Confident	45 Å²	45	47 Å²	47	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-25.7	-178.5	73.3	-88.7	0	0	0	112.6	P567 W571 H573 P616 W617	P567-H569 VanDerWaalsContact CB-CE1 3.42Å; P567-H569 WeakPolarHBondContact CB-CE1 3.42Å; P567-H569 WeakPolarHBondContact CB-ND1 3.46Å; P567-H569 PolarHBondContact O-N 3.2Å; P567-H569 VanDerWaalsContact O-N 3.13Å; H569-W571 VanDerWaalsContact C-N 3.28Å; H569-W571 PolarHBondContact O-N 3.06Å; H569-H573 VanDerWaalsContact CB-CE1 3.45Å; H569-H573 WeakPolarHBondContact CB-CE1 3.31Å; H569-H573 WeakPolarHBondContact CB-NE2 3.42Å; H569-H573 VanDerWaalsContact O-CB 3.24Å; H569-H573 WeakPolarHBondContact O-CB 3.43Å; H569-H573 VanDerWaalsContact O-CG 3.28Å; H569-H573 PolarHBondContact O-N 3.19Å; H569-H573 VanDerWaalsContact O-N 3.13Å; H569-P616 HydrophobicContact CB-CB 3.94Å; H569-P616 HydrophobicContact CB-CG 4.45Å; H569-W617 HydrophobicContact CB-CZ2 4.25Å
570	T	91.8	Very high	88.6	Confident	63 Å²	63	50 Å²	50	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-30.4	-177.1	66	0	0	0	0	112.1	V566 P567 V568 P574	V566-T570 WeakPolarHBondContact CG1-OG1 3.21Å; P567-T570 HydrophobicContact CB-CG2 4.22Å; P567-T570 HydrophobicContact CG-CG2 4.43Å; P567-T570 PolarHBondContact O-N 2.87Å; P567-T570 PolarHBondContact O-OG1 3.47Å; V568-T570 PolarHBondContact O-N 3.1Å; V568-T570 VanDerWaalsContact O-N 3.16Å; T570-P574 WeakPolarHBondContact O-CD 3.47Å; T570-P574 VanDerWaalsContact O-CG 3.28Å; T570-P574 WeakPolarHBondContact O-CG 3.4Å
571	W	93	Very high	88.2	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-112.2	-13.6	-178.4	56.5	-99.7	0	0	0	114.1	P517 L552 A555 V556 V568 H569 W575	P517-W571 WeakPolarHBondContact O-CB 3.35Å; L552-W571 HydrophobicContact CD2-CE3 4.22Å; L552-W571 HydrophobicContact CD2-CZ3 4.22Å; A555-W571 HydrophobicContact CB-CH2 3.97Å; A555-W571 HydrophobicContact CB-CZ3 4.02Å; V556-W571 HydrophobicContact CB-CH2 4.46Å; V556-W571 HydrophobicContact CG2-CH2 3.51Å; V556-W571 HydrophobicContact CG2-CZ3 3.85Å; V568-W571 HydrophobicContact CB-CZ2 4.14Å; V568-W571 HydrophobicContact CG1-CH2 4.06Å; V568-W571 HydrophobicContact CG1-CZ2 3.77Å; V568-W571 HydrophobicContact CG2-CZ2 3.8Å; V568-W571 PolarHBondContact O-N 3.25Å; H569-W571 VanDerWaalsContact C-N 3.28Å; H569-W571 PolarHBondContact O-N 3.06Å; W571-W575 PolarHBondContact O-NE1 2.98Å
572	L	92.5	Very high	88	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-88	-43.6	170.8	-79.4	-171.5	0	0	0	113.7	L552 V556 V568 P574 W575 L588 V592 W617	L552-L572 HydrophobicContact CB-CD2 4.43Å; L552-L572 HydrophobicContact CD2-CD2 4.09Å; V556-L572 HydrophobicContact CG2-CD1 3.72Å; V556-L572 HydrophobicContact CG2-CD2 4.01Å; V556-L572 HydrophobicContact CG2-CG 4.28Å; V568-L572 HydrophobicContact CG1-CB 4.32Å; V568-L572 HydrophobicContact CG1-CD1 3.31Å; V568-L572 HydrophobicContact CG1-CG 3.7Å; V568-L572 PolarHBondContact O-N 3.21Å; L572-P574 VanDerWaalsContact C-CD 3.45Å; L572-W575 WeakPolarHBondContact O-CB 3.46Å; L572-W575 PolarHBondContact O-N 3.11Å; L572-L588 HydrophobicContact CD2-CD1 4.2Å; L572-V592 HydrophobicContact CD1-CG2 3.94Å; L572-W617 HydrophobicContact CB-CH2 4.4Å; L572-W617 HydrophobicContact CD1-CH2 3.89Å
573	H	91.9	Very high	88	Confident	38 Å²	38	51.2 Å²	51.2	18%	0.176	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-63.6	-35.8	-174	-68.1	-170.7	0	0	0	114.4	H569 W575 L576 P616 W617 I620	H569-H573 VanDerWaalsContact CB-CE1 3.45Å; H569-H573 WeakPolarHBondContact CB-CE1 3.31Å; H569-H573 WeakPolarHBondContact CB-NE2 3.42Å; H569-H573 VanDerWaalsContact O-CB 3.24Å; H569-H573 WeakPolarHBondContact O-CB 3.43Å; H569-H573 VanDerWaalsContact O-CG 3.28Å; H569-H573 PolarHBondContact O-N 3.19Å; H569-H573 VanDerWaalsContact O-N 3.13Å; H573-W575 PolarHBondContact O-N 3.37Å; H573-L576 HydrophobicContact CB-CD1 4.1Å; H573-L576 WeakPolarHBondContact O-CB 3.24Å; H573-L576 WeakPolarHBondContact O-CG 3.35Å; H573-L576 PolarHBondContact O-N 3.39Å; H573-P616 PolarHBondContact CE1-O 3.45Å; H573-W617 AromaticContact NE2-CD2 3.63Å; H573-W617 AromaticContact NE2-CE2 3.74Å; H573-W617 AromaticContact NE2-CE3 3.52Å; H573-W617 AromaticContact NE2-CH2 3.76Å; H573-W617 AromaticContact NE2-CZ2 3.82Å; H573-W617 AromaticContact NE2-CZ3 3.6Å; H573-I620 WeakPolarHBondContact CD2-CD1 3.32Å; H573-I620 WeakPolarHBondContact CE1-CD1 3.45Å; H573-I620 WeakPolarHBondContact ND1-CD1 3.41Å; H573-I620 WeakPolarHBondContact NE2-CD1 3.46Å
574	P	92.3	Very high	88.1	Confident	45 Å²	45	50 Å²	50	29%	0.292	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-56.9	-22.3	176.6	-29.3	38.8	0	0	0	114.1	L524 T570 L572 P577	L524-P574 HydrophobicContact CD1-CB 3.56Å; T570-P574 WeakPolarHBondContact O-CD 3.47Å; T570-P574 VanDerWaalsContact O-CG 3.28Å; T570-P574 WeakPolarHBondContact O-CG 3.4Å; L572-P574 VanDerWaalsContact C-CD 3.45Å; P574-P577 WeakPolarHBondContact O-CD 3.18Å
575	W	93.3	Very high	88.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-81.8	-17.6	176.9	-66.1	104	0	0	0	114.1	W515 C520 L523 L524 L527 L544 I548 L552 W571 L572 H573 W578 F579 L585	W515-W575 AromaticContact CH2-CZ2 3.99Å; W515-W575 HydrophobicContact CH2-CZ2 3.99Å; W515-W575 AromaticContact CZ2-CZ2 3.65Å; W515-W575 HydrophobicContact CZ2-CZ2 3.65Å; C520-W575 HydrophobicContact CB-CZ2 4.14Å; L523-W575 HydrophobicContact CD2-CH2 3.78Å; L523-W575 HydrophobicContact CD2-CZ2 4.07Å; L523-W575 HydrophobicContact CG-CH2 4.05Å; L524-W575 HydrophobicContact CD2-CD2 4.18Å; L524-W575 HydrophobicContact CD2-CE3 3.94Å; L524-W575 HydrophobicContact CD2-CH2 3.72Å; L524-W575 HydrophobicContact CD2-CZ2 3.98Å; L524-W575 HydrophobicContact CD2-CZ3 3.7Å; L524-W575 HydrophobicContact CG-CH2 4.26Å; L524-W575 HydrophobicContact CG-CZ2 4.22Å; L527-W575 HydrophobicContact CD1-CH2 3.85Å; L527-W575 HydrophobicContact CD1-CZ3 3.62Å; L544-W575 HydrophobicContact CD2-CE3 4.17Å; L544-W575 HydrophobicContact CD2-CZ3 4.08Å; I548-W575 HydrophobicContact CD1-CH2 3.71Å; I548-W575 HydrophobicContact CD1-CZ3 3.64Å; I548-W575 HydrophobicContact CG1-CH2 4.45Å; I548-W575 HydrophobicContact CG2-CD2 4.16Å; I548-W575 HydrophobicContact CG2-CE3 4.01Å; I548-W575 HydrophobicContact CG2-CH2 4.04Å; I548-W575 HydrophobicContact CG2-CZ2 4.17Å; I548-W575 HydrophobicContact CG2-CZ3 3.95Å; L552-W575 HydrophobicContact CD1-CB 4.4Å; L552-W575 HydrophobicContact CD1-CD2 4.37Å; L552-W575 HydrophobicContact CD1-CG 3.96Å; W571-W575 PolarHBondContact O-NE1 2.98Å; L572-W575 WeakPolarHBondContact O-CB 3.46Å; L572-W575 PolarHBondContact O-N 3.11Å; H573-W575 PolarHBondContact O-N 3.37Å; W575-W578 HydrophobicContact CE3-CB 4.32Å; W575-W578 HydrophobicContact CE3-CG 4.41Å; W575-W578 WeakPolarHBondContact O-CB 3.39Å; W575-W578 PolarHBondContact O-N 3.36Å; W575-F579 HydrophobicContact CB-CD2 3.95Å; W575-F579 HydrophobicContact CB-CE2 4.02Å; W575-F579 HydrophobicContact CE3-CE2 4.16Å; W575-F579 HydrophobicContact CG-CE2 4.48Å; W575-F579 WeakPolarHBondContact O-CD2 3.42Å; W575-F579 PolarHBondContact O-N 3.07Å; W575-F579 VanDerWaalsContact O-N 3.07Å; W575-L585 HydrophobicContact CB-CD1 4.5Å
576	L	90	Very high	88.6	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.141	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-43.4	-176.6	-69.5	165.5	0	0	0	114	H573 W578 G580 G581 V582 L585 I620	H573-L576 HydrophobicContact CB-CD1 4.1Å; H573-L576 WeakPolarHBondContact O-CB 3.24Å; H573-L576 WeakPolarHBondContact O-CG 3.35Å; H573-L576 PolarHBondContact O-N 3.39Å; L576-W578 VanDerWaalsContact C-N 3.34Å; L576-W578 PolarHBondContact O-N 2.81Å; L576-G580 PolarHBondContact O-N 3.43Å; L576-G581 PolarHBondContact O-N 3.14Å; L576-V582 HydrophobicContact CD2-CG2 4.48Å; L576-L585 HydrophobicContact CD2-CD1 3.89Å; L576-L585 HydrophobicContact CG-CD1 4.48Å; L576-I620 HydrophobicContact CD1-CD1 3.53Å; L576-I620 HydrophobicContact CD1-CG1 3.74Å; L576-I620 HydrophobicContact CD1-CG2 4.36Å; L576-I620 HydrophobicContact CD2-CG2 4.44Å
577	P	89.2	Confident	88.6	Confident	103 Å²	103	45.9 Å²	45.9	67%	0.669	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-38.4	176.1	-21.5	35	0	0	0	112.6	P574 G580	P574-P577 WeakPolarHBondContact O-CD 3.18Å; P577-G580 PolarHBondContact O-N 3.46Å
578	W	91.4	Very high	88.8	Confident	43 Å²	43	43.4 Å²	43.4	16%	0.163	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-38.7	-178.1	-70.1	92.5	0	0	0	112.9	L527 E528 L539 Q540 L544 W575 L576 G580	L527-W578 HydrophobicContact CB-CH2 3.59Å; L527-W578 HydrophobicContact CB-CZ2 4Å; L527-W578 HydrophobicContact CB-CZ3 3.88Å; E528-W578 HydrophobicContact CB-CZ2 4.33Å; L539-W578 HydrophobicContact CD1-CE3 4.44Å; L539-W578 HydrophobicContact CD1-CZ3 4.27Å; L539-W578 HydrophobicContact CD2-CE3 4.4Å; L539-W578 HydrophobicContact CD2-CZ3 4.1Å; Q540-W578 PolarHBondContact NE2-O 3.26Å; L544-W578 HydrophobicContact CD1-CB 4.31Å; L544-W578 VanDerWaalsContact CD1-O 3.3Å; L544-W578 WeakPolarHBondContact CD1-O 3.37Å; L544-W578 HydrophobicContact CD2-CB 4.07Å; W575-W578 HydrophobicContact CE3-CB 4.32Å; W575-W578 HydrophobicContact CE3-CG 4.41Å; W575-W578 WeakPolarHBondContact O-CB 3.39Å; W575-W578 PolarHBondContact O-N 3.36Å; L576-W578 VanDerWaalsContact C-N 3.34Å; L576-W578 PolarHBondContact O-N 2.81Å; W578-G580 PolarHBondContact O-N 3.23Å
579	F	90.8	Very high	88.7	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.013	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3.3	176.7	-77.7	-87.7	0	0	0	113.4	L544 I548 L549 L552 W575 G581 R584 L585	L544-F579 HydrophobicContact CB-CD1 4.4Å; L544-F579 HydrophobicContact CB-CE1 3.81Å; L544-F579 HydrophobicContact CB-CZ 3.93Å; L544-F579 HydrophobicContact CD2-CD2 4.4Å; L544-F579 HydrophobicContact CD2-CE2 3.92Å; L544-F579 HydrophobicContact CD2-CZ 4.02Å; I548-F579 HydrophobicContact CG2-CE2 4.3Å; I548-F579 HydrophobicContact CG2-CZ 4.23Å; L549-F579 HydrophobicContact CB-CE1 4.02Å; L549-F579 HydrophobicContact CB-CZ 4.04Å; L549-F579 HydrophobicContact CD1-CE1 4.32Å; L549-F579 HydrophobicContact CD1-CZ 4.49Å; L552-F579 HydrophobicContact CD1-CE2 4.22Å; W575-F579 HydrophobicContact CB-CD2 3.95Å; W575-F579 HydrophobicContact CB-CE2 4.02Å; W575-F579 HydrophobicContact CE3-CE2 4.16Å; W575-F579 HydrophobicContact CG-CE2 4.48Å; W575-F579 WeakPolarHBondContact O-CD2 3.42Å; W575-F579 PolarHBondContact O-N 3.07Å; W575-F579 VanDerWaalsContact O-N 3.07Å; F579-G581 VanDerWaalsContact C-N 3.33Å; F579-R584 HydrophobicContact CB-CB 4.35Å; F579-R584 HydrophobicContact CD1-CB 4.28Å; F579-R584 WeakPolarHBondContact O-CD 3.23Å; F579-R584 PolarHBondContact O-NH1 3Å; F579-L585 HydrophobicContact CB-CD2 4.35Å; F579-L585 HydrophobicContact CB-CG 4.23Å; F579-L585 HydrophobicContact CD1-CD2 3.91Å; F579-L585 HydrophobicContact CD2-CD1 4.2Å; F579-L585 HydrophobicContact CD2-CD2 3.81Å; F579-L585 HydrophobicContact CD2-CG 4.29Å; F579-L585 HydrophobicContact CE1-CD2 4.14Å; F579-L585 HydrophobicContact CE2-CD2 4.04Å; F579-L585 HydrophobicContact CG-CD1 4.47Å; F579-L585 HydrophobicContact CG-CD2 3.74Å; F579-L585 HydrophobicContact CG-CG 4.14Å; F579-L585 HydrophobicContact CZ-CD2 4.2Å
580	G	82	Confident	88.7	Confident	73 Å²	73	45.7 Å²	45.7	75%	0.753	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	19.2	177.5	0	0	0	0	0	114.3	L576 P577 W578	L576-G580 PolarHBondContact O-N 3.43Å; P577-G580 PolarHBondContact O-N 3.46Å; W578-G580 PolarHBondContact O-N 3.23Å
581	G	79.4	Confident	88.8	Confident	30 Å²	30	45.4 Å²	45.4	31%	0.309	27%	0.268	S	S	.	.	S	Bend	trans	134.1	-175.8	176	0	0	0	0	0	115.3	L576 F579	L576-G581 PolarHBondContact O-N 3.14Å; F579-G581 VanDerWaalsContact C-N 3.33Å
582	V	79.4	Confident	88.8	Confident	52 Å²	52	45.3 Å²	45.3	32%	0.315	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-25.3	-172	-176.7	0	0	0	0	112.6	L576 L585 S586 H589 I620	L576-V582 HydrophobicContact CD2-CG2 4.48Å; V582-L585 CarbonylContact O-C 3.59Å; V582-L585 PolarHBondContact O-N 3.08Å; V582-S586 PolarHBondContact O-N 3.35Å; V582-S586 VanDerWaalsContact O-N 3.1Å; V582-H589 WeakPolarHBondContact CG1-ND1 3.08Å; V582-I620 HydrophobicContact CG1-CG2 3.99Å; V582-I620 WeakPolarHBondContact CG1-O 3.36Å; V582-I620 HydrophobicContact CG2-CG2 4.02Å
583	E	83.1	Confident	88.6	Confident	174 Å²	174	46 Å²	46	81%	0.813	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-42.5	-170.4	-63	-174.9	171.4	0	0	113	L585 S586	E583-L585 VanDerWaalsContact C-N 3.29Å; E583-L585 PolarHBondContact O-N 2.9Å; E583-S586 WeakPolarHBondContact O-CB 3.37Å; E583-S586 PolarHBondContact O-N 3.1Å; E583-S586 VanDerWaalsContact O-N 3.12Å; E583-S586 PolarHBondContact O-OG 3.2Å
584	R	86.4	Confident	88.7	Confident	79 Å²	79	51.1 Å²	51.1	30%	0.298	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.9	178.7	-78.8	178.3	65.6	-160.9	14.4	113	Q540 D545 F579 S586	Q540-R584 PolarHBondContact O-NH2 2.8Å; D545-R584 IonicContact OD1-CZ 2.76Å; D545-R584 IonicContact OD1-NE 3.06Å; D545-R584 PolarHBondContact OD1-NE 3.46Å; D545-R584 IonicContact OD1-NH2 3.47Å; D545-R584 PolarHBondContact OD1-NH2 3.45Å; D545-R584 IonicContact OD2-CZ 2.77Å; D545-R584 IonicContact OD2-NH2 3.12Å; D545-R584 PolarHBondContact OD2-NH2 3.25Å; F579-R584 HydrophobicContact CB-CB 4.35Å; F579-R584 HydrophobicContact CD1-CB 4.28Å; F579-R584 WeakPolarHBondContact O-CD 3.23Å; F579-R584 PolarHBondContact O-NH1 3Å; R584-S586 VanDerWaalsContact C-N 3.34Å
585	L	87.9	Confident	88.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	9.2	175.4	-55.4	-174.4	0	0	0	112.9	L549 W575 L576 F579 V582 E583 C587 L588 H589	L549-L585 HydrophobicContact CD1-CD2 3.77Å; W575-L585 HydrophobicContact CB-CD1 4.5Å; L576-L585 HydrophobicContact CD2-CD1 3.89Å; L576-L585 HydrophobicContact CG-CD1 4.48Å; F579-L585 HydrophobicContact CB-CD2 4.35Å; F579-L585 HydrophobicContact CB-CG 4.23Å; F579-L585 HydrophobicContact CD1-CD2 3.91Å; F579-L585 HydrophobicContact CD2-CD1 4.2Å; F579-L585 HydrophobicContact CD2-CD2 3.81Å; F579-L585 HydrophobicContact CD2-CG 4.29Å; F579-L585 HydrophobicContact CE1-CD2 4.14Å; F579-L585 HydrophobicContact CE2-CD2 4.04Å; F579-L585 HydrophobicContact CG-CD1 4.47Å; F579-L585 HydrophobicContact CG-CD2 3.74Å; F579-L585 HydrophobicContact CG-CG 4.14Å; F579-L585 HydrophobicContact CZ-CD2 4.2Å; V582-L585 CarbonylContact O-C 3.59Å; V582-L585 PolarHBondContact O-N 3.08Å; E583-L585 VanDerWaalsContact C-N 3.29Å; E583-L585 PolarHBondContact O-N 2.9Å; L585-C587 VanDerWaalsContact C-N 3.31Å; L585-C587 PolarHBondContact O-N 2.87Å; L585-L588 HydrophobicContact CB-CD1 4.42Å; L585-L588 HydrophobicContact CD2-CD1 3.88Å; L585-L588 WeakPolarHBondContact O-CA 3.19Å; L585-L588 WeakPolarHBondContact O-CB 3.49Å; L585-L588 PolarHBondContact O-N 3.08Å; L585-H589 VanDerWaalsContact O-CG 3.29Å; L585-H589 PolarHBondContact O-N 3.45Å; L585-H589 PolarHBondContact O-ND1 2.97Å
586	S	88.5	Confident	88.5	Confident	50 Å²	50	52 Å²	52	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-52.3	-45.4	-177.7	53.4	0	0	0	0	113.1	V582 E583 R584 L588 H589 D590	V582-S586 PolarHBondContact O-N 3.35Å; V582-S586 VanDerWaalsContact O-N 3.1Å; E583-S586 WeakPolarHBondContact O-CB 3.37Å; E583-S586 PolarHBondContact O-N 3.1Å; E583-S586 VanDerWaalsContact O-N 3.12Å; E583-S586 PolarHBondContact O-OG 3.2Å; R584-S586 VanDerWaalsContact C-N 3.34Å; S586-L588 VanDerWaalsContact C-N 3.3Å; S586-L588 PolarHBondContact O-N 3.01Å; S586-H589 WeakPolarHBondContact O-CB 3.31Å; S586-H589 PolarHBondContact O-N 2.99Å; S586-H589 VanDerWaalsContact O-N 3.17Å; S586-D590 PolarHBondContact O-N 3.06Å
587	C	88.8	Confident	88.6	Confident	77 Å²	77	50.9 Å²	50.9	52%	0.52	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-40.8	176.9	-62.3	0	0	0	0	112.4	L585 M591	L585-C587 VanDerWaalsContact C-N 3.31Å; L585-C587 PolarHBondContact O-N 2.87Å; C587-M591 WeakPolarHBondContact O-CG 3.35Å; C587-M591 PolarHBondContact O-N 3.26Å; C587-M591 VanDerWaalsContact O-N 3.1Å
588	L	91.5	Very high	88.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-43.7	176.8	-63.6	-178.9	0	0	0	111.3	L549 L552 Q553 V556 L572 L585 S586 D590 M591 V592	L549-L588 HydrophobicContact CD1-CD1 4.11Å; L552-L588 HydrophobicContact CB-CD1 3.91Å; Q553-L588 VanDerWaalsContact CA-CD2 3.45Å; Q553-L588 HydrophobicContact CB-CD2 3.96Å; Q553-L588 HydrophobicContact CG-CD2 3.36Å; Q553-L588 HydrophobicContact CG-CG 4.28Å; V556-L588 HydrophobicContact CB-CD2 4.21Å; V556-L588 HydrophobicContact CG2-CD2 4.1Å; L572-L588 HydrophobicContact CD2-CD1 4.2Å; L585-L588 HydrophobicContact CB-CD1 4.42Å; L585-L588 HydrophobicContact CD2-CD1 3.88Å; L585-L588 WeakPolarHBondContact O-CA 3.19Å; L585-L588 WeakPolarHBondContact O-CB 3.49Å; L585-L588 PolarHBondContact O-N 3.08Å; S586-L588 VanDerWaalsContact C-N 3.3Å; S586-L588 PolarHBondContact O-N 3.01Å; L588-D590 VanDerWaalsContact C-N 3.35Å; L588-D590 PolarHBondContact O-N 3.31Å; L588-M591 WeakPolarHBondContact O-CB 3.26Å; L588-M591 PolarHBondContact O-N 3.23Å; L588-V592 WeakPolarHBondContact O-CG2 3.31Å; L588-V592 PolarHBondContact O-N 3.33Å
589	H	90.2	Very high	88.4	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.028	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-44.3	178.2	-68.5	156.6	0	0	0	112.1	V582 L585 S586 V592 L593 W617 F621	V582-H589 WeakPolarHBondContact CG1-ND1 3.08Å; L585-H589 VanDerWaalsContact O-CG 3.29Å; L585-H589 PolarHBondContact O-N 3.45Å; L585-H589 PolarHBondContact O-ND1 2.97Å; S586-H589 WeakPolarHBondContact O-CB 3.31Å; S586-H589 PolarHBondContact O-N 2.99Å; S586-H589 VanDerWaalsContact O-N 3.17Å; H589-V592 PolarHBondContact O-N 3.11Å; H589-L593 PolarHBondContact O-N 2.91Å; H589-W617 AromaticContact CD2-CZ3 3.55Å; H589-W617 AromaticContact NE2-CZ3 3.94Å; H589-F621 HydrophobicContact CB-CD1 4.16Å; H589-F621 HydrophobicContact CB-CE1 3.51Å; H589-F621 HydrophobicContact CB-CZ 4.46Å; H589-F621 AromaticContact CG-CE1 3.74Å
590	D	90.5	Very high	88.4	Confident	91 Å²	91	48.8 Å²	48.8	49%	0.487	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-41.3	175.2	-73.4	-23.8	0	0	0	111.7	S586 L588 V592 L593 Q594	S586-D590 PolarHBondContact O-N 3.06Å; L588-D590 VanDerWaalsContact C-N 3.35Å; L588-D590 PolarHBondContact O-N 3.31Å; D590-V592 PolarHBondContact O-N 3.41Å; D590-L593 PolarHBondContact O-N 3.01Å; D590-Q594 WeakPolarHBondContact O-CB 3.45Å; D590-Q594 VanDerWaalsContact O-CG 3.27Å; D590-Q594 WeakPolarHBondContact O-CG 3.46Å; D590-Q594 PolarHBondContact O-N 3.4Å
591	M	92.5	Very high	88.6	Confident	57 Å²	57	49.2 Å²	49.2	28%	0.281	27%	0.272	S	S	.	.	H	α-helix	trans	-61.9	-42.2	174.7	-70.8	170.2	70.2	0	0	112	V556 C587 L588 Q594 K595	V556-M591 HydrophobicContact CG1-CB 3.89Å; V556-M591 HydrophobicContact CG1-CE 4.32Å; C587-M591 WeakPolarHBondContact O-CG 3.35Å; C587-M591 PolarHBondContact O-N 3.26Å; C587-M591 VanDerWaalsContact O-N 3.1Å; L588-M591 WeakPolarHBondContact O-CB 3.26Å; L588-M591 PolarHBondContact O-N 3.23Å; M591-Q594 PolarHBondContact O-N 3.1Å; M591-K595 WeakPolarHBondContact O-CB 3.29Å; M591-K595 WeakPolarHBondContact O-CG 3.41Å; M591-K595 PolarHBondContact O-N 2.66Å
592	V	92.6	Very high	88.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-48	175.9	170.2	0	0	0	0	110.4	V556 W559 V568 L572 L588 H589 D590 Q594 K595 L596 W617	V556-V592 HydrophobicContact CG1-CG2 3.81Å; W559-V592 HydrophobicContact CH2-CG1 4.43Å; W559-V592 HydrophobicContact CZ3-CG1 4.14Å; W559-V592 HydrophobicContact CZ3-CG2 4.35Å; V568-V592 HydrophobicContact CG1-CG2 4.06Å; L572-V592 HydrophobicContact CD1-CG2 3.94Å; L588-V592 WeakPolarHBondContact O-CG2 3.31Å; L588-V592 PolarHBondContact O-N 3.33Å; H589-V592 PolarHBondContact O-N 3.11Å; D590-V592 PolarHBondContact O-N 3.41Å; V592-Q594 PolarHBondContact O-N 3.42Å; V592-K595 PolarHBondContact O-N 3.14Å; V592-L596 HydrophobicContact CG1-CD1 3.76Å; V592-L596 HydrophobicContact CG1-CG 4.22Å; V592-L596 WeakPolarHBondContact O-CB 3.5Å; V592-L596 VanDerWaalsContact O-CG 3.31Å; V592-L596 WeakPolarHBondContact O-CG 3.35Å; V592-L596 PolarHBondContact O-N 2.87Å; V592-W617 HydrophobicContact CG1-CH2 4.1Å; V592-W617 HydrophobicContact CG1-CZ2 3.74Å; V592-W617 HydrophobicContact CG2-CH2 4.29Å; V592-W617 HydrophobicContact CG2-CZ2 4.46Å
593	L	90.2	Very high	89.5	Confident	17 Å²	17	53.8 Å²	53.8	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-43	178.1	-78.9	177.3	0	0	0	112.3	H589 D590 K595 L596 G597 F621 F629	H589-L593 PolarHBondContact O-N 2.91Å; D590-L593 PolarHBondContact O-N 3.01Å; L593-K595 PolarHBondContact O-N 3.12Å; L593-L596 PolarHBondContact O-N 3.41Å; L593-G597 PolarHBondContact O-N 3.24Å; L593-F621 HydrophobicContact CD1-CD1 4.37Å; L593-F621 HydrophobicContact CD1-CD2 4.03Å; L593-F621 HydrophobicContact CD1-CE1 4.39Å; L593-F621 HydrophobicContact CD1-CE2 4.03Å; L593-F621 HydrophobicContact CD1-CG 4.21Å; L593-F621 HydrophobicContact CD1-CZ 4.2Å; L593-F621 HydrophobicContact CD2-CD2 3.69Å; L593-F621 HydrophobicContact CD2-CE2 3.28Å; L593-F621 HydrophobicContact CD2-CZ 3.97Å; L593-F621 HydrophobicContact CG-CD2 4.04Å; L593-F621 HydrophobicContact CG-CE1 4.34Å; L593-F621 HydrophobicContact CG-CE2 3.56Å; L593-F621 HydrophobicContact CG-CZ 3.72Å; L593-F629 HydrophobicContact CD2-CD1 4.46Å; L593-F629 HydrophobicContact CD2-CD2 3.99Å; L593-F629 HydrophobicContact CD2-CE2 4.19Å; L593-F629 HydrophobicContact CD2-CG 4.12Å; L593-F629 VanDerWaalsContact O-CE2 3.29Å; L593-F629 WeakPolarHBondContact O-CE2 3.41Å
594	Q	91.9	Very high	89.9	Confident	144 Å²	144	49.5 Å²	49.5	67%	0.673	27%	0.265	S	S	*	.	H	α-helix	trans	-61.8	-44.5	177	-73.2	176.9	15.6	0	0	111.7	D590 M591 V592 G597 S598	D590-Q594 WeakPolarHBondContact O-CB 3.45Å; D590-Q594 VanDerWaalsContact O-CG 3.27Å; D590-Q594 WeakPolarHBondContact O-CG 3.46Å; D590-Q594 PolarHBondContact O-N 3.4Å; M591-Q594 PolarHBondContact O-N 3.1Å; V592-Q594 PolarHBondContact O-N 3.42Å; Q594-G597 PolarHBondContact O-N 3.35Å; Q594-S598 PolarHBondContact O-N 3.05Å
595	K	91.9	Very high	90.1	Very high	53 Å²	53	46 Å²	46	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-47.1	177.1	-75.7	172.2	174.6	-88.3	0	111.7	V556 S557 W559 P561 M591 V592 L593 G597 S598 C599	V556-K595 WeakPolarHBondContact O-CE 3.36Å; S557-K595 WeakPolarHBondContact O-CE 3.43Å; S557-K595 PolarHBondContact O-NZ 2.9Å; W559-K595 HydrophobicContact CE3-CB 4.46Å; W559-K595 HydrophobicContact CE3-CD 3.89Å; W559-K595 HydrophobicContact CZ3-CB 4.09Å; W559-K595 HydrophobicContact CZ3-CD 4.3Å; W559-K595 PolarHBondContact O-NZ 3.18Å; P561-K595 HydrophobicContact CG-CB 4.17Å; M591-K595 WeakPolarHBondContact O-CB 3.29Å; M591-K595 WeakPolarHBondContact O-CG 3.41Å; M591-K595 PolarHBondContact O-N 2.66Å; V592-K595 PolarHBondContact O-N 3.14Å; L593-K595 PolarHBondContact O-N 3.12Å; K595-G597 VanDerWaalsContact C-N 3.33Å; K595-G597 PolarHBondContact O-N 3.27Å; K595-S598 PolarHBondContact O-N 3.42Å; K595-S598 VanDerWaalsContact O-N 3.17Å; K595-S598 PolarHBondContact O-OG 3.48Å; K595-C599 PolarHBondContact O-N 2.76Å; K595-C599 PolarHBondContact O-SG 3.38Å; K595-C599 VanDerWaalsContact O-SG 3.35Å
596	L	90.9	Very high	90.1	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-42.1	175.3	-70.3	177.6	0	0	0	111.8	W559 P561 V592 L593 S598 C599 L600 V613 L614 F629	W559-L596 HydrophobicContact CH2-CD2 3.73Å; W559-L596 HydrophobicContact CH2-CG 4.05Å; W559-L596 HydrophobicContact CZ2-CD2 4.43Å; P561-L596 HydrophobicContact CB-CD2 4.15Å; P561-L596 HydrophobicContact CG-CD2 4.27Å; V592-L596 HydrophobicContact CG1-CD1 3.76Å; V592-L596 HydrophobicContact CG1-CG 4.22Å; V592-L596 WeakPolarHBondContact O-CB 3.5Å; V592-L596 VanDerWaalsContact O-CG 3.31Å; V592-L596 WeakPolarHBondContact O-CG 3.35Å; V592-L596 PolarHBondContact O-N 2.87Å; L593-L596 PolarHBondContact O-N 3.41Å; L596-S598 VanDerWaalsContact C-N 3.29Å; L596-S598 PolarHBondContact O-N 3.13Å; L596-C599 PolarHBondContact O-N 3.31Å; L596-L600 WeakPolarHBondContact O-CB 3.32Å; L596-L600 VanDerWaalsContact O-CG 3.3Å; L596-L600 WeakPolarHBondContact O-CG 3.36Å; L596-L600 PolarHBondContact O-N 2.78Å; L596-V613 HydrophobicContact CD1-CG1 4.29Å; L596-V613 HydrophobicContact CD2-CG1 3.65Å; L596-L614 HydrophobicContact CD1-CD2 3.81Å; L596-F629 HydrophobicContact CB-CZ 4.05Å
597	G	90.8	Very high	90	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-38.8	175.8	0	0	0	0	0	112.5	L593 Q594 K595 L600 T601 H633	L593-G597 PolarHBondContact O-N 3.24Å; Q594-G597 PolarHBondContact O-N 3.35Å; K595-G597 VanDerWaalsContact C-N 3.33Å; K595-G597 PolarHBondContact O-N 3.27Å; G597-L600 PolarHBondContact O-N 3.44Å; G597-T601 PolarHBondContact O-N 2.84Å; G597-H633 PolarHBondContact O-CE1 3.09Å; G597-H633 PolarHBondContact O-ND1 2.87Å; G597-H633 VanDerWaalsContact O-ND1 3.17Å
598	S	89.9	Confident	89.9	Confident	67 Å²	67	48.4 Å²	48.4	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-66.3	-40.8	175.6	78.1	0	0	0	0	112.5	Q594 K595 L596 L600 T601	Q594-S598 PolarHBondContact O-N 3.05Å; K595-S598 PolarHBondContact O-N 3.42Å; K595-S598 VanDerWaalsContact O-N 3.17Å; K595-S598 PolarHBondContact O-OG 3.48Å; L596-S598 VanDerWaalsContact C-N 3.29Å; L596-S598 PolarHBondContact O-N 3.13Å; S598-L600 VanDerWaalsContact C-N 3.33Å; S598-L600 PolarHBondContact O-N 2.9Å; S598-T601 WeakPolarHBondContact O-CB 3.37Å; S598-T601 VanDerWaalsContact O-CG2 3.27Å; S598-T601 WeakPolarHBondContact O-CG2 3.45Å; S598-T601 PolarHBondContact O-N 3.43Å; S598-T601 PolarHBondContact O-OG1 3.47Å
599	C	87.3	Confident	89.6	Confident	26 Å²	26	51.1 Å²	51.1	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-68	-34.6	176.5	-64.4	0	0	0	0	112.3	P561 L562 K595 L596 T601	P561-C599 HydrophobicContact CB-CB 4.42Å; P561-C599 WeakPolarHBondContact CG-SG 3.49Å; L562-C599 HydrophobicContact CD2-CB 4Å; L562-C599 HydrophobicContact CG-CB 4.28Å; K595-C599 PolarHBondContact O-N 2.76Å; K595-C599 PolarHBondContact O-SG 3.38Å; K595-C599 VanDerWaalsContact O-SG 3.35Å; L596-C599 PolarHBondContact O-N 3.31Å; C599-T601 PolarHBondContact O-N 3.12Å
600	L	89.8	Confident	89.5	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.2	177.4	-68	175.9	0	0	0	113.7	L596 G597 S598 W603 A610 L614 F629 H633 V634 K637	L596-L600 WeakPolarHBondContact O-CB 3.32Å; L596-L600 VanDerWaalsContact O-CG 3.3Å; L596-L600 WeakPolarHBondContact O-CG 3.36Å; L596-L600 PolarHBondContact O-N 2.78Å; G597-L600 PolarHBondContact O-N 3.44Å; S598-L600 VanDerWaalsContact C-N 3.33Å; S598-L600 PolarHBondContact O-N 2.9Å; L600-W603 HydrophobicContact CD2-CB 3.76Å; L600-W603 HydrophobicContact CD2-CD2 3.82Å; L600-W603 HydrophobicContact CD2-CE3 4.17Å; L600-W603 HydrophobicContact CD2-CG 3.63Å; L600-A610 HydrophobicContact CD2-CB 3.78Å; L600-L614 HydrophobicContact CD1-CD1 4.2Å; L600-F629 HydrophobicContact CD1-CE1 3.79Å; L600-F629 HydrophobicContact CD1-CZ 3.74Å; L600-H633 HydrophobicContact CB-CB 4.12Å; L600-H633 HydrophobicContact CD1-CB 4.23Å; L600-V634 HydrophobicContact CD1-CG2 4.12Å; L600-K637 VanDerWaalsContact O-CE 3.26Å; L600-K637 WeakPolarHBondContact O-CE 3.46Å; L600-K637 PolarHBondContact O-NZ 3.5Å
601	T	87.8	Confident	89.4	Confident	82 Å²	82	49.9 Å²	49.9	50%	0.503	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-40.6	176.5	54.9	0	0	0	0	113	G597 S598 C599 K637	G597-T601 PolarHBondContact O-N 2.84Å; S598-T601 WeakPolarHBondContact O-CB 3.37Å; S598-T601 VanDerWaalsContact O-CG2 3.27Å; S598-T601 WeakPolarHBondContact O-CG2 3.45Å; S598-T601 PolarHBondContact O-N 3.43Å; S598-T601 PolarHBondContact O-OG1 3.47Å; C599-T601 PolarHBondContact O-N 3.12Å; T601-K637 WeakPolarHBondContact O-CE 3.24Å; T601-K637 PolarHBondContact O-NZ 3.26Å
602	N	86.1	Confident	89.2	Confident	156 Å²	156	50.8 Å²	50.8	83%	0.834	29%	0.29	S	S	*	.	S	Bend	trans	-109.2	4.7	-179.7	-66.7	-33.1	0	0	0	114.1
603	W	91.3	Very high	89	Confident	23 Å²	23	52.7 Å²	52.7	9%	0.087	30%	0.302	C	S	.	.			trans	-62.6	151.1	176.7	173.5	78.6	0	0	0	113.5	L600 P605 D607 A610 V634 K637 W663	L600-W603 HydrophobicContact CD2-CB 3.76Å; L600-W603 HydrophobicContact CD2-CD2 3.82Å; L600-W603 HydrophobicContact CD2-CE3 4.17Å; L600-W603 HydrophobicContact CD2-CG 3.63Å; W603-P605 HydrophobicContact CH2-CB 4.11Å; W603-P605 HydrophobicContact CH2-CG 4.14Å; W603-P605 HydrophobicContact CZ3-CG 4.1Å; W603-D607 VanDerWaalsContact CD1-OD2 3.31Å; W603-D607 WeakPolarHBondContact CZ2-O 3.25Å; W603-D607 PolarHBondContact NE1-O 2.9Å; W603-D607 VanDerWaalsContact NE1-O 3.14Å; W603-D607 PolarHBondContact NE1-OD2 3.46Å; W603-A610 HydrophobicContact CD2-CB 4.26Å; W603-A610 HydrophobicContact CG-CB 4.43Å; W603-A610 HydrophobicContact CZ2-CB 3.92Å; W603-A610 VanDerWaalsContact NE1-CB 3.31Å; W603-V634 HydrophobicContact CH2-CG1 4.35Å; W603-V634 HydrophobicContact CZ3-CG1 4.15Å; W603-K637 HydrophobicContact CE3-CD 3.85Å; W603-K637 HydrophobicContact CZ3-CB 4.45Å; W603-K637 HydrophobicContact CZ3-CD 4.38Å; W603-K637 VanDerWaalsContact N-NZ 3.15Å; W603-K637 WeakPolarHBondContact O-CD 3.35Å; W603-K637 PolarHBondContact O-NZ 3.03Å; W603-W663 AromaticContact CH2-CE2 3.67Å; W603-W663 HydrophobicContact CH2-CH2 4.42Å; W603-W663 AromaticContact CH2-CZ2 3.44Å; W603-W663 HydrophobicContact CH2-CZ2 3.44Å; W603-W663 VanDerWaalsContact CH2-CZ2 3.44Å; W603-W663 AromaticContact CH2-NE1 3.62Å; W603-W663 AromaticContact CZ2-CZ2 3.55Å; W603-W663 HydrophobicContact CZ2-CZ2 3.55Å; W603-W663 AromaticContact CZ2-NE1 3.97Å; W603-W663 HydrophobicContact CZ3-CZ2 4.4Å
604	H	91	Very high	89	Confident	84 Å²	84	52 Å²	52	39%	0.389	30%	0.298	S	S	.	.			trans	-123.6	140.3	175.8	-178.8	-98	0	0	0	110.9	S606 D607 W659	H604-S606 WeakPolarHBondContact ND1-CB 3.2Å; H604-S606 PolarHBondContact ND1-N 2.78Å; H604-S606 PolarHBondContact ND1-OG 2.87Å; H604-S606 PolarHBondContact O-N 2.97Å; H604-D607 PolarHBondContact O-N 2.89Å; H604-W659 AromaticContact CE1-CE3 3.82Å; H604-W659 AromaticContact CE1-CH2 3.76Å; H604-W659 AromaticContact CE1-CZ3 3.33Å; H604-W659 WeakPolarHBondContact CE1-CZ3 3.23Å; H604-W659 AromaticContact NE2-CZ3 3.96Å
605	P	89.8	Confident	88.9	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.032	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.2	-175.9	-30.5	38.6	0	0	0	117.6	W603 D607 K637 L638 A641 W659	W603-P605 HydrophobicContact CH2-CB 4.11Å; W603-P605 HydrophobicContact CH2-CG 4.14Å; W603-P605 HydrophobicContact CZ3-CG 4.1Å; P605-D607 PolarHBondContact O-N 3.25Å; P605-K637 HydrophobicContact CG-CB 4.24Å; P605-L638 HydrophobicContact CB-CD2 3.86Å; P605-L638 HydrophobicContact CG-CD2 3.86Å; P605-A641 HydrophobicContact CG-CB 4.1Å; P605-W659 HydrophobicContact CB-CB 3.85Å; P605-W659 HydrophobicContact CB-CE3 4.36Å; P605-W659 HydrophobicContact CB-CG 4.45Å
606	S	88.2	Confident	88.8	Confident	59 Å²	59	47.8 Å²	47.8	41%	0.413	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24	173.8	63	0	0	0	0	113.4	H604 A608	H604-S606 WeakPolarHBondContact ND1-CB 3.2Å; H604-S606 PolarHBondContact ND1-N 2.78Å; H604-S606 PolarHBondContact ND1-OG 2.87Å; H604-S606 PolarHBondContact O-N 2.97Å; S606-A608 PolarHBondContact O-N 3.19Å
607	D	87.6	Confident	88.8	Confident	66 Å²	66	47.4 Å²	47.4	35%	0.353	28%	0.281	S	S	.	.			trans	-84	109.5	179.9	171.2	22.3	0	0	0	111.1	W603 H604 P605 S609	W603-D607 VanDerWaalsContact CD1-OD2 3.31Å; W603-D607 WeakPolarHBondContact CZ2-O 3.25Å; W603-D607 PolarHBondContact NE1-O 2.9Å; W603-D607 VanDerWaalsContact NE1-O 3.14Å; W603-D607 PolarHBondContact NE1-OD2 3.46Å; H604-D607 PolarHBondContact O-N 2.89Å; P605-D607 PolarHBondContact O-N 3.25Å; D607-S609 VanDerWaalsContact C-N 3.3Å; D607-S609 PolarHBondContact O-N 3.08Å; D607-S609 VanDerWaalsContact OD1-CB 3.24Å; D607-S609 WeakPolarHBondContact OD1-CB 3.16Å; D607-S609 PolarHBondContact OD1-N 2.83Å; D607-S609 PolarHBondContact OD1-OG 3.18Å; D607-S609 PolarHBondContact OD2-OG 3.35Å
608	A	85.2	Confident	88.6	Confident	54 Å²	54	53.3 Å²	53.3	45%	0.446	30%	0.302	S	S	.	.	S	Bend	trans	-75.3	-15.7	-178.8	0	0	0	0	0	113.8	S606 A610 R611 S612	S606-A608 PolarHBondContact O-N 3.19Å; A608-A610 VanDerWaalsContact C-N 3.31Å; A608-A610 PolarHBondContact O-N 3.26Å; A608-R611 PolarHBondContact O-N 3.15Å; A608-S612 PolarHBondContact O-N 3.43Å
609	S	86.2	Confident	88.3	Confident	57 Å²	57	56.1 Å²	56.1	40%	0.399	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-36	-176.3	70.8	0	0	0	0	112.2	D607 R611 S612 V613	D607-S609 VanDerWaalsContact C-N 3.3Å; D607-S609 PolarHBondContact O-N 3.08Å; D607-S609 VanDerWaalsContact OD1-CB 3.24Å; D607-S609 WeakPolarHBondContact OD1-CB 3.16Å; D607-S609 PolarHBondContact OD1-N 2.83Å; D607-S609 PolarHBondContact OD1-OG 3.18Å; D607-S609 PolarHBondContact OD2-OG 3.35Å; S609-R611 VanDerWaalsContact C-N 3.26Å; S609-R611 PolarHBondContact O-N 2.98Å; S609-S612 WeakPolarHBondContact CA-OG 3.39Å; S609-S612 PolarHBondContact O-N 3.46Å; S609-S612 VanDerWaalsContact O-N 3.15Å; S609-S612 PolarHBondContact O-OG 3.29Å; S609-V613 VanDerWaalsContact O-CG2 3.31Å; S609-V613 WeakPolarHBondContact O-CG2 3.48Å; S609-V613 PolarHBondContact O-N 3.13Å
610	A	88.7	Confident	88.1	Confident	11 Å²	11	55.7 Å²	55.7	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-37.8	176	0	0	0	0	0	112.9	L600 W603 A608 L614 W663	L600-A610 HydrophobicContact CD2-CB 3.78Å; W603-A610 HydrophobicContact CD2-CB 4.26Å; W603-A610 HydrophobicContact CG-CB 4.43Å; W603-A610 HydrophobicContact CZ2-CB 3.92Å; W603-A610 VanDerWaalsContact NE1-CB 3.31Å; A608-A610 VanDerWaalsContact C-N 3.31Å; A608-A610 PolarHBondContact O-N 3.26Å; A610-L614 WeakPolarHBondContact O-CB 3.49Å; A610-L614 WeakPolarHBondContact O-CG 3.35Å; A610-L614 PolarHBondContact O-N 3.14Å; A610-L614 VanDerWaalsContact O-N 3.08Å; A610-W663 HydrophobicContact CB-CH2 4.26Å; A610-W663 HydrophobicContact CB-CZ2 4.12Å
611	R	88.5	Confident	87.9	Confident	60 Å²	60	55.5 Å²	55.5	23%	0.226	31%	0.312	C	S	.	.	H	α-helix	trans	-70.9	-43.4	176.2	172.3	167.3	160.1	128.9	0.4	111.2	A608 S609 V613 L614 M615 R662 W663 D665 L666	A608-R611 PolarHBondContact O-N 3.15Å; S609-R611 VanDerWaalsContact C-N 3.26Å; S609-R611 PolarHBondContact O-N 2.98Å; R611-V613 PolarHBondContact O-N 3.24Å; R611-L614 PolarHBondContact O-N 2.95Å; R611-M615 VanDerWaalsContact O-CB 3.26Å; R611-M615 WeakPolarHBondContact O-CB 3.13Å; R611-M615 PolarHBondContact O-N 3.37Å; R611-R662 WeakPolarHBondContact CD-O 3.37Å; R611-R662 PolarHBondContact NE-O 2.99Å; R611-R662 PolarHBondContact NH1-O 2.65Å; R611-W663 HydrophobicContact CB-CH2 4.21Å; R611-W663 HydrophobicContact CB-CZ2 3.96Å; R611-D665 IonicContact CZ-OD2 3.42Å; R611-D665 IonicContact NH1-OD2 3.09Å; R611-D665 PolarHBondContact NH1-OD2 3.37Å; R611-D665 VanDerWaalsContact NH1-OD2 3.09Å; R611-D665 IonicContact NH2-OD2 2.74Å; R611-D665 PolarHBondContact NH2-OD2 2.93Å; R611-L666 HydrophobicContact CG-CD1 3.99Å
612	S	87.1	Confident	87.8	Confident	76 Å²	76	55.2 Å²	55.2	53%	0.531	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-32.6	178.6	62.7	0	0	0	0	112	A608 S609 P616	A608-S612 PolarHBondContact O-N 3.43Å; S609-S612 WeakPolarHBondContact CA-OG 3.39Å; S609-S612 PolarHBondContact O-N 3.46Å; S609-S612 VanDerWaalsContact O-N 3.15Å; S609-S612 PolarHBondContact O-OG 3.29Å; S612-P616 WeakPolarHBondContact O-CD 3.41Å
613	V	89	Confident	87.9	Confident	41 Å²	41	53.7 Å²	53.7	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-71.2	-40.8	175	174.3	0	0	0	0	111.8	L596 S609 R611 W617	L596-V613 HydrophobicContact CD1-CG1 4.29Å; L596-V613 HydrophobicContact CD2-CG1 3.65Å; S609-V613 VanDerWaalsContact O-CG2 3.31Å; S609-V613 WeakPolarHBondContact O-CG2 3.48Å; S609-V613 PolarHBondContact O-N 3.13Å; R611-V613 PolarHBondContact O-N 3.24Å; V613-W617 PolarHBondContact O-NE1 3.46Å
614	L	90.4	Very high	87.7	Confident	3 Å²	3	58 Å²	58	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-82.9	-27.3	-177.3	-73.2	174.4	0	0	0	114.7	L596 L600 A610 R611 W617 F629 L630 W663	L596-L614 HydrophobicContact CD1-CD2 3.81Å; L600-L614 HydrophobicContact CD1-CD1 4.2Å; A610-L614 WeakPolarHBondContact O-CB 3.49Å; A610-L614 WeakPolarHBondContact O-CG 3.35Å; A610-L614 PolarHBondContact O-N 3.14Å; A610-L614 VanDerWaalsContact O-N 3.08Å; R611-L614 PolarHBondContact O-N 2.95Å; L614-W617 WeakPolarHBondContact O-CB 3.35Å; L614-W617 PolarHBondContact O-N 2.89Å; L614-F629 HydrophobicContact CD1-CE1 3.98Å; L614-F629 HydrophobicContact CD2-CE1 3.81Å; L614-F629 HydrophobicContact CD2-CZ 4.44Å; L614-L630 HydrophobicContact CD1-CD2 4.34Å; L614-W663 HydrophobicContact CD1-CH2 3.82Å; L614-W663 HydrophobicContact CD1-CZ3 3.89Å
615	M	90.2	Very high	87.6	Confident	73 Å²	73	55.9 Å²	55.9	36%	0.36	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-57.5	-44.3	-174.5	-174.9	68	-173.6	0	0	113.8	R611 W617 R618 L666	R611-M615 VanDerWaalsContact O-CB 3.26Å; R611-M615 WeakPolarHBondContact O-CB 3.13Å; R611-M615 PolarHBondContact O-N 3.37Å; M615-W617 PolarHBondContact O-N 3.44Å; M615-R618 VanDerWaalsContact O-CB 3.27Å; M615-R618 WeakPolarHBondContact O-CB 3.41Å; M615-R618 PolarHBondContact O-N 3.27Å; M615-L666 HydrophobicContact SD-CD1 4.45Å; M615-L666 HydrophobicContact SD-CD2 3.76Å; M615-L666 HydrophobicContact SD-CG 4.1Å
616	P	89.7	Confident	87.7	Confident	35 Å²	35	56.2 Å²	56.2	23%	0.227	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-60	-27.1	176.9	-25.4	36.6	0	0	0	113.4	H569 H573 S612 R618 T619	H569-P616 HydrophobicContact CB-CB 3.94Å; H569-P616 HydrophobicContact CB-CG 4.45Å; H573-P616 PolarHBondContact CE1-O 3.45Å; S612-P616 WeakPolarHBondContact O-CD 3.41Å; P616-R618 VanDerWaalsContact C-N 3.32Å; P616-T619 PolarHBondContact O-OG1 3.22Å
617	W	89.5	Confident	87.8	Confident	3 Å²	3	56 Å²	56	1%	0.011	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-82.6	-9.1	-177.6	-63.7	97.1	0	0	0	114.1	V568 H569 L572 H573 H589 V592 V613 L614 M615 T619 I620 F621 M626	V568-W617 HydrophobicContact CB-CZ2 4.37Å; V568-W617 HydrophobicContact CG1-CH2 4.45Å; V568-W617 HydrophobicContact CG1-CZ2 3.97Å; H569-W617 HydrophobicContact CB-CZ2 4.25Å; L572-W617 HydrophobicContact CB-CH2 4.4Å; L572-W617 HydrophobicContact CD1-CH2 3.89Å; H573-W617 AromaticContact NE2-CD2 3.63Å; H573-W617 AromaticContact NE2-CE2 3.74Å; H573-W617 AromaticContact NE2-CE3 3.52Å; H573-W617 AromaticContact NE2-CH2 3.76Å; H573-W617 AromaticContact NE2-CZ2 3.82Å; H573-W617 AromaticContact NE2-CZ3 3.6Å; H589-W617 AromaticContact CD2-CZ3 3.55Å; H589-W617 AromaticContact NE2-CZ3 3.94Å; V592-W617 HydrophobicContact CG1-CH2 4.1Å; V592-W617 HydrophobicContact CG1-CZ2 3.74Å; V592-W617 HydrophobicContact CG2-CH2 4.29Å; V592-W617 HydrophobicContact CG2-CZ2 4.46Å; V613-W617 PolarHBondContact O-NE1 3.46Å; L614-W617 WeakPolarHBondContact O-CB 3.35Å; L614-W617 PolarHBondContact O-N 2.89Å; M615-W617 PolarHBondContact O-N 3.44Å; W617-T619 PolarHBondContact O-N 3.24Å; W617-I620 HydrophobicContact CE3-CB 4.44Å; W617-I620 HydrophobicContact CE3-CD1 4.33Å; W617-I620 HydrophobicContact CE3-CG2 4.3Å; W617-I620 HydrophobicContact CZ3-CG2 4.44Å; W617-I620 PolarHBondContact O-N 2.74Å; W617-F621 HydrophobicContact CB-CD2 3.67Å; W617-F621 HydrophobicContact CB-CE2 3.41Å; W617-F621 VanDerWaalsContact CB-CE2 3.41Å; W617-F621 HydrophobicContact CB-CZ 4.11Å; W617-F621 HydrophobicContact CD2-CE1 4.26Å; W617-F621 AromaticContact CD2-CE2 3.7Å; W617-F621 HydrophobicContact CD2-CE2 3.7Å; W617-F621 AromaticContact CD2-CZ 3.49Å; W617-F621 HydrophobicContact CD2-CZ 3.49Å; W617-F621 VanDerWaalsContact CD2-CZ 3.49Å; W617-F621 HydrophobicContact CE3-CD1 4.21Å; W617-F621 HydrophobicContact CE3-CD2 4.4Å; W617-F621 AromaticContact CE3-CE1 3.33Å; W617-F621 HydrophobicContact CE3-CE1 3.33Å; W617-F621 AromaticContact CE3-CE2 3.6Å; W617-F621 HydrophobicContact CE3-CE2 3.6Å; W617-F621 AromaticContact CE3-CZ 2.99Å; W617-F621 HydrophobicContact CE3-CZ 2.99Å; W617-F621 HydrophobicContact CG-CD2 4.39Å; W617-F621 AromaticContact CG-CE2 3.66Å; W617-F621 HydrophobicContact CG-CE2 3.66Å; W617-F621 AromaticContact CG-CZ 3.99Å; W617-F621 HydrophobicContact CG-CZ 3.99Å; W617-F621 HydrophobicContact CH2-CZ 4.4Å; W617-F621 AromaticContact CZ3-CE1 3.65Å; W617-F621 HydrophobicContact CZ3-CE1 3.65Å; W617-F621 AromaticContact CZ3-CZ 3.53Å; W617-F621 HydrophobicContact CZ3-CZ 3.53Å; W617-F621 PolarHBondContact O-N 3.46Å; W617-F621 VanDerWaalsContact O-N 3.13Å; W617-M626 HydrophobicContact CB-CE 4.06Å
618	R	87.4	Confident	88	Confident	126 Å²	126	55.5 Å²	55.5	48%	0.475	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-55.9	-34.9	179.4	-178.9	-172.4	170.3	176.7	-2.8	112.6	M615 P616 D665 L666	M615-R618 VanDerWaalsContact O-CB 3.27Å; M615-R618 WeakPolarHBondContact O-CB 3.41Å; M615-R618 PolarHBondContact O-N 3.27Å; P616-R618 VanDerWaalsContact C-N 3.32Å; R618-D665 PolarHBondContact NH1-O 3.22Å; R618-L666 HydrophobicContact CB-CD2 4.11Å; R618-L666 HydrophobicContact CG-CD2 4.19Å
619	T	83.1	Confident	88.4	Confident	126 Å²	126	53.8 Å²	53.8	77%	0.773	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-88.6	-14.5	-176.9	50.7	0	0	0	0	113.9	P616 W617	P616-T619 PolarHBondContact O-OG1 3.22Å; W617-T619 PolarHBondContact O-N 3.24Å
620	I	84.4	Confident	88.7	Confident	17 Å²	17	51.3 Å²	51.3	9%	0.087	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-42.1	-171.6	-67.8	156.6	0	0	0	110.7	H573 L576 V582 W617	H573-I620 WeakPolarHBondContact CD2-CD1 3.32Å; H573-I620 WeakPolarHBondContact CE1-CD1 3.45Å; H573-I620 WeakPolarHBondContact ND1-CD1 3.41Å; H573-I620 WeakPolarHBondContact NE2-CD1 3.46Å; L576-I620 HydrophobicContact CD1-CD1 3.53Å; L576-I620 HydrophobicContact CD1-CG1 3.74Å; L576-I620 HydrophobicContact CD1-CG2 4.36Å; L576-I620 HydrophobicContact CD2-CG2 4.44Å; V582-I620 HydrophobicContact CG1-CG2 3.99Å; V582-I620 WeakPolarHBondContact CG1-O 3.36Å; V582-I620 HydrophobicContact CG2-CG2 4.02Å; W617-I620 HydrophobicContact CE3-CB 4.44Å; W617-I620 HydrophobicContact CE3-CD1 4.33Å; W617-I620 HydrophobicContact CE3-CG2 4.3Å; W617-I620 HydrophobicContact CZ3-CG2 4.44Å; W617-I620 PolarHBondContact O-N 2.74Å
621	F	85.5	Confident	88.9	Confident	9 Å²	9	54 Å²	54	4%	0.039	32%	0.321	C	S	.	.	S	Bend	trans	-78.3	142	179.3	-60.5	-32.3	0	0	0	111.3	H589 L593 W617 V623 M626	H589-F621 HydrophobicContact CB-CD1 4.16Å; H589-F621 HydrophobicContact CB-CE1 3.51Å; H589-F621 HydrophobicContact CB-CZ 4.46Å; H589-F621 AromaticContact CG-CE1 3.74Å; L593-F621 HydrophobicContact CD1-CD1 4.37Å; L593-F621 HydrophobicContact CD1-CD2 4.03Å; L593-F621 HydrophobicContact CD1-CE1 4.39Å; L593-F621 HydrophobicContact CD1-CE2 4.03Å; L593-F621 HydrophobicContact CD1-CG 4.21Å; L593-F621 HydrophobicContact CD1-CZ 4.2Å; L593-F621 HydrophobicContact CD2-CD2 3.69Å; L593-F621 HydrophobicContact CD2-CE2 3.28Å; L593-F621 HydrophobicContact CD2-CZ 3.97Å; L593-F621 HydrophobicContact CG-CD2 4.04Å; L593-F621 HydrophobicContact CG-CE1 4.34Å; L593-F621 HydrophobicContact CG-CE2 3.56Å; L593-F621 HydrophobicContact CG-CZ 3.72Å; W617-F621 HydrophobicContact CB-CD2 3.67Å; W617-F621 HydrophobicContact CB-CE2 3.41Å; W617-F621 VanDerWaalsContact CB-CE2 3.41Å; W617-F621 HydrophobicContact CB-CZ 4.11Å; W617-F621 HydrophobicContact CD2-CE1 4.26Å; W617-F621 AromaticContact CD2-CE2 3.7Å; W617-F621 HydrophobicContact CD2-CE2 3.7Å; W617-F621 AromaticContact CD2-CZ 3.49Å; W617-F621 HydrophobicContact CD2-CZ 3.49Å; W617-F621 VanDerWaalsContact CD2-CZ 3.49Å; W617-F621 HydrophobicContact CE3-CD1 4.21Å; W617-F621 HydrophobicContact CE3-CD2 4.4Å; W617-F621 AromaticContact CE3-CE1 3.33Å; W617-F621 HydrophobicContact CE3-CE1 3.33Å; W617-F621 AromaticContact CE3-CE2 3.6Å; W617-F621 HydrophobicContact CE3-CE2 3.6Å; W617-F621 AromaticContact CE3-CZ 2.99Å; W617-F621 HydrophobicContact CE3-CZ 2.99Å; W617-F621 HydrophobicContact CG-CD2 4.39Å; W617-F621 AromaticContact CG-CE2 3.66Å; W617-F621 HydrophobicContact CG-CE2 3.66Å; W617-F621 AromaticContact CG-CZ 3.99Å; W617-F621 HydrophobicContact CG-CZ 3.99Å; W617-F621 HydrophobicContact CH2-CZ 4.4Å; W617-F621 AromaticContact CZ3-CE1 3.65Å; W617-F621 HydrophobicContact CZ3-CE1 3.65Å; W617-F621 AromaticContact CZ3-CZ 3.53Å; W617-F621 HydrophobicContact CZ3-CZ 3.53Å; W617-F621 PolarHBondContact O-N 3.46Å; W617-F621 VanDerWaalsContact O-N 3.13Å; F621-V623 PolarHBondContact O-N 3.28Å; F621-M626 HydrophobicContact CB-CE 4.38Å; F621-M626 HydrophobicContact CD2-CE 3.64Å; F621-M626 HydrophobicContact CE2-CE 4.46Å; F621-M626 HydrophobicContact CG-CE 4.49Å
622	P	85.8	Confident	89.1	Confident	76 Å²	76	60.3 Å²	60.3	49%	0.494	35%	0.345	S	S	.	.			trans	-50	137.4	169.1	-26.8	33.5	0	0	0	111.4	T624 S625 M626	P622-T624 PolarHBondContact O-N 2.87Å; P622-T624 VanDerWaalsContact O-N 3.09Å; P622-S625 WeakPolarHBondContact CD-OG 3.48Å; P622-S625 PolarHBondContact O-N 3.33Å; P622-S625 PolarHBondContact O-OG 3.44Å; P622-M626 PolarHBondContact O-N 2.9Å
623	V	86.5	Confident	89.4	Confident	123 Å²	123	58.5 Å²	58.5	75%	0.745	33%	0.328	S	S	*	.	H	α-helix	trans	-55.5	-35.3	-177.4	-180	0	0	0	0	111.6	F621 A627	F621-V623 PolarHBondContact O-N 3.28Å; V623-A627 VanDerWaalsContact O-CB 3.24Å; V623-A627 WeakPolarHBondContact O-CB 3.41Å; V623-A627 PolarHBondContact O-N 3.01Å
624	T	88.8	Confident	89.7	Confident	113 Å²	113	56.5 Å²	56.5	69%	0.693	32%	0.316	S	S	*	.	H	α-helix	trans	-68.2	-42.9	178.4	52.3	0	0	0	0	113	P622 A627 A628	P622-T624 PolarHBondContact O-N 2.87Å; P622-T624 VanDerWaalsContact O-N 3.09Å; T624-A627 PolarHBondContact O-N 3.28Å; T624-A628 WeakPolarHBondContact O-CB 3.32Å; T624-A628 PolarHBondContact O-N 3.45Å
625	S	88.5	Confident	89.9	Confident	41 Å²	41	57.5 Å²	57.5	29%	0.287	32%	0.323	S	S	.	.	H	α-helix	trans	-70.7	-39.9	178.8	64.6	0	0	0	0	111	P622 A628 F629	P622-S625 WeakPolarHBondContact CD-OG 3.48Å; P622-S625 PolarHBondContact O-N 3.33Å; P622-S625 PolarHBondContact O-OG 3.44Å; S625-A628 PolarHBondContact O-N 3.15Å; S625-F629 VanDerWaalsContact O-CB 3.29Å; S625-F629 WeakPolarHBondContact O-CB 3.5Å; S625-F629 PolarHBondContact O-N 2.95Å
626	M	90.7	Very high	90.1	Very high	12 Å²	12	57 Å²	57	6%	0.059	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-46.4	173.4	-176.9	61	84.4	0	0	111.4	W617 F621 P622 A628 F629 L630	W617-M626 HydrophobicContact CB-CE 4.06Å; F621-M626 HydrophobicContact CB-CE 4.38Å; F621-M626 HydrophobicContact CD2-CE 3.64Å; F621-M626 HydrophobicContact CE2-CE 4.46Å; F621-M626 HydrophobicContact CG-CE 4.49Å; P622-M626 PolarHBondContact O-N 2.9Å; M626-A628 PolarHBondContact O-N 3.48Å; M626-F629 PolarHBondContact O-N 3.37Å; M626-L630 HydrophobicContact CG-CD1 3.98Å; M626-L630 HydrophobicContact CG-CG 4.36Å; M626-L630 WeakPolarHBondContact O-CB 3.49Å; M626-L630 VanDerWaalsContact O-CG 3.28Å; M626-L630 WeakPolarHBondContact O-CG 3.44Å; M626-L630 PolarHBondContact O-N 3.06Å; M626-L630 HydrophobicContact SD-CD1 4.21Å; M626-L630 HydrophobicContact SD-CG 4.12Å
627	A	90	Very high	90.3	Very high	53 Å²	53	57.2 Å²	57.2	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-61.7	-44.2	177.6	0	0	0	0	0	111.9	V623 T624 F629 L630 S631	V623-A627 VanDerWaalsContact O-CB 3.24Å; V623-A627 WeakPolarHBondContact O-CB 3.41Å; V623-A627 PolarHBondContact O-N 3.01Å; T624-A627 PolarHBondContact O-N 3.28Å; A627-F629 PolarHBondContact O-N 3.48Å; A627-L630 PolarHBondContact O-N 2.86Å; A627-S631 VanDerWaalsContact O-CB 3.26Å; A627-S631 WeakPolarHBondContact O-CB 3.45Å; A627-S631 PolarHBondContact O-N 2.65Å; A627-S631 PolarHBondContact O-OG 3.13Å
628	A	91.8	Very high	90.5	Very high	56 Å²	56	57 Å²	57	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-61.1	-44.5	175.5	0	0	0	0	0	111.5	T624 S625 M626 S631 R632	T624-A628 WeakPolarHBondContact O-CB 3.32Å; T624-A628 PolarHBondContact O-N 3.45Å; S625-A628 PolarHBondContact O-N 3.15Å; M626-A628 PolarHBondContact O-N 3.48Å; A628-S631 WeakPolarHBondContact CA-OG 3.46Å; A628-S631 PolarHBondContact O-N 3.49Å; A628-S631 PolarHBondContact O-OG 2.95Å; A628-R632 WeakPolarHBondContact O-CB 3.33Å; A628-R632 PolarHBondContact O-N 3.33Å
629	F	94	Very high	90.8	Very high	18 Å²	18	51.6 Å²	51.6	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-50.3	177	-179.8	-94.6	0	0	0	112.2	L593 L596 L600 L614 S625 M626 A627 S631 R632 H633	L593-F629 HydrophobicContact CD2-CD1 4.46Å; L593-F629 HydrophobicContact CD2-CD2 3.99Å; L593-F629 HydrophobicContact CD2-CE2 4.19Å; L593-F629 HydrophobicContact CD2-CG 4.12Å; L593-F629 VanDerWaalsContact O-CE2 3.29Å; L593-F629 WeakPolarHBondContact O-CE2 3.41Å; L596-F629 HydrophobicContact CB-CZ 4.05Å; L600-F629 HydrophobicContact CD1-CE1 3.79Å; L600-F629 HydrophobicContact CD1-CZ 3.74Å; L614-F629 HydrophobicContact CD1-CE1 3.98Å; L614-F629 HydrophobicContact CD2-CE1 3.81Å; L614-F629 HydrophobicContact CD2-CZ 4.44Å; S625-F629 VanDerWaalsContact O-CB 3.29Å; S625-F629 WeakPolarHBondContact O-CB 3.5Å; S625-F629 PolarHBondContact O-N 2.95Å; M626-F629 PolarHBondContact O-N 3.37Å; A627-F629 PolarHBondContact O-N 3.48Å; F629-S631 PolarHBondContact O-N 3.42Å; F629-R632 PolarHBondContact O-N 2.85Å; F629-H633 AromaticContact CD2-CD2 3.8Å; F629-H633 AromaticContact CE2-CD2 3.77Å; F629-H633 PolarHBondContact O-N 3.12Å
630	L	93.9	Very high	91.3	Very high	5 Å²	5	50 Å²	50	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-62.1	-43.2	178.1	-68	174.6	0	0	0	111.3	L614 M626 A627 R632 V634 V635 W663 L666 I667	L614-L630 HydrophobicContact CD1-CD2 4.34Å; M626-L630 HydrophobicContact CG-CD1 3.98Å; M626-L630 HydrophobicContact CG-CG 4.36Å; M626-L630 WeakPolarHBondContact O-CB 3.49Å; M626-L630 VanDerWaalsContact O-CG 3.28Å; M626-L630 WeakPolarHBondContact O-CG 3.44Å; M626-L630 PolarHBondContact O-N 3.06Å; M626-L630 HydrophobicContact SD-CD1 4.21Å; M626-L630 HydrophobicContact SD-CG 4.12Å; A627-L630 PolarHBondContact O-N 2.86Å; L630-R632 PolarHBondContact O-N 3.35Å; L630-V634 HydrophobicContact CD2-CB 4.24Å; L630-V634 HydrophobicContact CD2-CG2 3.88Å; L630-V634 PolarHBondContact O-N 3.01Å; L630-V635 WeakPolarHBondContact O-CG2 3.23Å; L630-V635 PolarHBondContact O-N 3.08Å; L630-W663 HydrophobicContact CD2-CE3 4.41Å; L630-W663 HydrophobicContact CD2-CZ3 3.98Å; L630-L666 HydrophobicContact CD1-CB 4.34Å; L630-L666 VanDerWaalsContact CD1-O 3.28Å; L630-L666 WeakPolarHBondContact CD1-O 3.5Å; L630-I667 HydrophobicContact CB-CG2 4.45Å; L630-I667 HydrophobicContact CD1-CG2 4.24Å
631	S	92.5	Very high	91.6	Very high	67 Å²	67	49.4 Å²	49.4	47%	0.469	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-31.6	178.2	76.4	0	0	0	0	113.2	A627 A628 F629 P636	A627-S631 VanDerWaalsContact O-CB 3.26Å; A627-S631 WeakPolarHBondContact O-CB 3.45Å; A627-S631 PolarHBondContact O-N 2.65Å; A627-S631 PolarHBondContact O-OG 3.13Å; A628-S631 WeakPolarHBondContact CA-OG 3.46Å; A628-S631 PolarHBondContact O-N 3.49Å; A628-S631 PolarHBondContact O-OG 2.95Å; F629-S631 PolarHBondContact O-N 3.42Å; S631-P636 VanDerWaalsContact O-CD 3.29Å; S631-P636 WeakPolarHBondContact O-CD 3.33Å
632	R	93.4	Very high	91.9	Very high	193 Å²	193	49 Å²	49	73%	0.728	29%	0.285	S	S	*	.	H	α-helix	trans	-84.9	-43.4	-178.8	-177.4	175	179.3	163.3	-0.8	113	A628 F629 L630	A628-R632 WeakPolarHBondContact O-CB 3.33Å; A628-R632 PolarHBondContact O-N 3.33Å; F629-R632 PolarHBondContact O-N 2.85Å; L630-R632 PolarHBondContact O-N 3.35Å
633	H	93.3	Very high	92.1	Very high	38 Å²	38	50.9 Å²	50.9	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-105.9	-30.4	-167.8	-67	-79.4	0	0	0	114.4	G597 L600 F629	G597-H633 PolarHBondContact O-CE1 3.09Å; G597-H633 PolarHBondContact O-ND1 2.87Å; G597-H633 VanDerWaalsContact O-ND1 3.17Å; L600-H633 HydrophobicContact CB-CB 4.12Å; L600-H633 HydrophobicContact CD1-CB 4.23Å; F629-H633 AromaticContact CD2-CD2 3.8Å; F629-H633 AromaticContact CE2-CD2 3.77Å; F629-H633 PolarHBondContact O-N 3.12Å
634	V	94.4	Very high	92.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-52.4	-172	179.4	0	0	0	0	111.6	L600 W603 L630 K637 L638 W663	L600-V634 HydrophobicContact CD1-CG2 4.12Å; W603-V634 HydrophobicContact CH2-CG1 4.35Å; W603-V634 HydrophobicContact CZ3-CG1 4.15Å; L630-V634 HydrophobicContact CD2-CB 4.24Å; L630-V634 HydrophobicContact CD2-CG2 3.88Å; L630-V634 PolarHBondContact O-N 3.01Å; V634-K637 WeakPolarHBondContact O-CB 3.4Å; V634-K637 PolarHBondContact O-N 3.49Å; V634-L638 HydrophobicContact CG1-CD1 3.85Å; V634-L638 HydrophobicContact CG1-CG 4.04Å; V634-L638 PolarHBondContact O-N 3.06Å; V634-L638 VanDerWaalsContact O-N 3.09Å; V634-W663 HydrophobicContact CG1-CD2 3.83Å; V634-W663 HydrophobicContact CG1-CE3 3.74Å; V634-W663 HydrophobicContact CG1-CG 4.45Å; V634-W663 HydrophobicContact CG1-CH2 4.13Å; V634-W663 HydrophobicContact CG1-CZ2 4.24Å; V634-W663 HydrophobicContact CG1-CZ3 3.88Å; V634-W663 HydrophobicContact CG2-CH2 4.08Å; V634-W663 HydrophobicContact CG2-CZ3 4.04Å
635	V	94.5	Very high	92.2	Very high	24 Å²	24	46.5 Å²	46.5	15%	0.145	25%	0.251	C	S	.	.	H	α-helix	trans	-55.6	-43.7	-173.6	173.6	0	0	0	0	113.5	L630 K637 L638 A639 I667 V671 L675	L630-V635 WeakPolarHBondContact O-CG2 3.23Å; L630-V635 PolarHBondContact O-N 3.08Å; V635-K637 PolarHBondContact O-N 2.91Å; V635-L638 PolarHBondContact O-N 3.47Å; V635-A639 PolarHBondContact O-N 2.85Å; V635-I667 HydrophobicContact CG2-CG2 4.19Å; V635-V671 HydrophobicContact CG1-CG1 4.11Å; V635-V671 HydrophobicContact CG2-CG1 3.85Å; V635-L675 HydrophobicContact CG1-CD1 4.3Å; V635-L675 HydrophobicContact CG1-CD2 3.93Å; V635-L675 HydrophobicContact CG1-CG 4.32Å
636	P	94.1	Very high	92	Very high	63 Å²	63	51.3 Å²	51.3	41%	0.409	27%	0.269	S	S	.	.	H	α-helix	trans	-62	-32.1	178.7	-23.9	35.9	0	0	0	112.7	S631 A639 L640	S631-P636 VanDerWaalsContact O-CD 3.29Å; S631-P636 WeakPolarHBondContact O-CD 3.33Å; P636-A639 WeakPolarHBondContact O-CB 3.42Å; P636-A639 PolarHBondContact O-N 3.48Å; P636-L640 WeakPolarHBondContact O-CG 3.46Å; P636-L640 PolarHBondContact O-N 2.94Å
637	K	94.1	Very high	91.7	Very high	38 Å²	38	51.2 Å²	51.2	17%	0.165	27%	0.269	C	S	.	.	H	α-helix	trans	-77.7	-36.3	179.9	-61.5	-177	168.4	-154.5	0	112.1	L600 T601 W603 P605 V634 V635 A639 L640 A641	L600-K637 VanDerWaalsContact O-CE 3.26Å; L600-K637 WeakPolarHBondContact O-CE 3.46Å; L600-K637 PolarHBondContact O-NZ 3.5Å; T601-K637 WeakPolarHBondContact O-CE 3.24Å; T601-K637 PolarHBondContact O-NZ 3.26Å; W603-K637 HydrophobicContact CE3-CD 3.85Å; W603-K637 HydrophobicContact CZ3-CB 4.45Å; W603-K637 HydrophobicContact CZ3-CD 4.38Å; W603-K637 VanDerWaalsContact N-NZ 3.15Å; W603-K637 WeakPolarHBondContact O-CD 3.35Å; W603-K637 PolarHBondContact O-NZ 3.03Å; P605-K637 HydrophobicContact CG-CB 4.24Å; V634-K637 WeakPolarHBondContact O-CB 3.4Å; V634-K637 PolarHBondContact O-N 3.49Å; V635-K637 PolarHBondContact O-N 2.91Å; K637-A639 VanDerWaalsContact C-N 3.31Å; K637-L640 PolarHBondContact O-N 3.47Å; K637-A641 WeakPolarHBondContact O-CB 3.16Å; K637-A641 PolarHBondContact O-N 3.48Å
638	L	93.9	Very high	91.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-40.8	169.7	-62.1	-177.4	0	0	0	110.9	P605 V634 V635 A641 L642 V660 W663 I667 L675	P605-L638 HydrophobicContact CB-CD2 3.86Å; P605-L638 HydrophobicContact CG-CD2 3.86Å; V634-L638 HydrophobicContact CG1-CD1 3.85Å; V634-L638 HydrophobicContact CG1-CG 4.04Å; V634-L638 PolarHBondContact O-N 3.06Å; V634-L638 VanDerWaalsContact O-N 3.09Å; V635-L638 PolarHBondContact O-N 3.47Å; L638-A641 PolarHBondContact O-N 3.04Å; L638-L642 PolarHBondContact O-N 3.47Å; L638-V660 HydrophobicContact CB-CG2 4.24Å; L638-V660 HydrophobicContact CD2-CG2 4.17Å; L638-W663 HydrophobicContact CD1-CB 3.76Å; L638-W663 HydrophobicContact CD1-CG 3.97Å; L638-W663 HydrophobicContact CD2-CG 4.38Å; L638-I667 HydrophobicContact CD1-CD1 4.19Å; L638-L675 HydrophobicContact CB-CD1 4.14Å
639	A	94.1	Very high	90.2	Very high	12 Å²	12	52.4 Å²	52.4	10%	0.099	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-45.8	174.1	0	0	0	0	0	111.9	V635 P636 K637 L642 Q643 L675	V635-A639 PolarHBondContact O-N 2.85Å; P636-A639 WeakPolarHBondContact O-CB 3.42Å; P636-A639 PolarHBondContact O-N 3.48Å; K637-A639 VanDerWaalsContact C-N 3.31Å; A639-L642 PolarHBondContact O-N 3.24Å; A639-Q643 WeakPolarHBondContact O-CB 3.19Å; A639-Q643 PolarHBondContact O-N 3.28Å; A639-L675 HydrophobicContact CB-CD2 3.66Å
640	L	92.8	Very high	89.1	Confident	91 Å²	91	56.5 Å²	56.5	48%	0.476	30%	0.3	S	S	.	.	H	α-helix	trans	-63.4	-43	175.8	-72.1	173.6	0	0	0	112.5	P636 K637 L642 Q643 Q644	P636-L640 WeakPolarHBondContact O-CG 3.46Å; P636-L640 PolarHBondContact O-N 2.94Å; K637-L640 PolarHBondContact O-N 3.47Å; L640-L642 VanDerWaalsContact C-N 3.33Å; L640-L642 PolarHBondContact O-N 3.3Å; L640-Q643 PolarHBondContact O-N 3Å; L640-Q643 VanDerWaalsContact O-N 3.17Å; L640-Q644 WeakPolarHBondContact O-CB 3.48Å; L640-Q644 WeakPolarHBondContact O-CG 3.31Å; L640-Q644 PolarHBondContact O-N 3.47Å
641	A	91.5	Very high	88.1	Confident	5 Å²	5	65 Å²	65	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-40.8	176.5	0	0	0	0	0	111.8	P605 K637 L638 F645	P605-A641 HydrophobicContact CG-CB 4.1Å; K637-A641 WeakPolarHBondContact O-CB 3.16Å; K637-A641 PolarHBondContact O-N 3.48Å; L638-A641 PolarHBondContact O-N 3.04Å; A641-F645 PolarHBondContact O-N 2.82Å; A641-F645 VanDerWaalsContact O-N 3.14Å
642	L	91.4	Very high	87.5	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.2	-45.6	171.2	-75.3	179.1	0	0	0	111.2	L638 A639 L640 Q644 F645 W657 V660 L675 L676 H679 R683	L638-L642 PolarHBondContact O-N 3.47Å; A639-L642 PolarHBondContact O-N 3.24Å; L640-L642 VanDerWaalsContact C-N 3.33Å; L640-L642 PolarHBondContact O-N 3.3Å; L642-Q644 VanDerWaalsContact C-N 3.28Å; L642-Q644 PolarHBondContact O-N 3.44Å; L642-F645 WeakPolarHBondContact O-CB 3.36Å; L642-F645 PolarHBondContact O-N 3.16Å; L642-F645 VanDerWaalsContact O-N 3.1Å; L642-W657 HydrophobicContact CD2-CE3 4.4Å; L642-V660 HydrophobicContact CD1-CG1 4.12Å; L642-V660 HydrophobicContact CD1-CG2 4.36Å; L642-V660 HydrophobicContact CD2-CB 4.26Å; L642-V660 HydrophobicContact CD2-CG1 4.4Å; L642-V660 HydrophobicContact CD2-CG2 3.8Å; L642-V660 HydrophobicContact CG-CB 4.4Å; L642-V660 HydrophobicContact CG-CG1 4.29Å; L642-V660 HydrophobicContact CG-CG2 3.66Å; L642-L675 HydrophobicContact CD1-CB 4.06Å; L642-L676 HydrophobicContact CD1-CD2 4.39Å; L642-H679 HydrophobicContact CB-CB 4.06Å; L642-R683 PolarHBondContact O-NH1 3.42Å; L642-R683 PolarHBondContact O-NH2 3.4Å
643	Q	90.5	Very high	87	Confident	117 Å²	117	59 Å²	59	55%	0.547	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-34	-178.5	-171.5	-179.6	9.5	0	0	112.9	A639 L640 F645 R683	A639-Q643 WeakPolarHBondContact O-CB 3.19Å; A639-Q643 PolarHBondContact O-N 3.28Å; L640-Q643 PolarHBondContact O-N 3Å; L640-Q643 VanDerWaalsContact O-N 3.17Å; Q643-F645 VanDerWaalsContact C-N 3.35Å; Q643-R683 PolarHBondContact O-NH1 2.85Å
644	Q	88.3	Confident	86.7	Confident	139 Å²	139	59.6 Å²	59.6	65%	0.65	32%	0.316	S	S	*	.	H	α-helix	trans	-82.1	-13.7	177.1	-68.1	176.6	-6	0	0	113.2	L640 L642 Q646	L640-Q644 WeakPolarHBondContact O-CB 3.48Å; L640-Q644 WeakPolarHBondContact O-CG 3.31Å; L640-Q644 PolarHBondContact O-N 3.47Å; L642-Q644 VanDerWaalsContact C-N 3.28Å; L642-Q644 PolarHBondContact O-N 3.44Å; Q644-Q646 PolarHBondContact O-N 2.97Å
645	F	88.1	Confident	86.4	Confident	5 Å²	5	63.2 Å²	63.2	2%	0.022	34%	0.335	C	S	.	.			trans	-62.4	119.7	177.5	177.7	-140.1	0	0	0	111.1	A641 L642 Q643 L647 N653 M654 P656 W657 F680 R683 W721	A641-F645 PolarHBondContact O-N 2.82Å; A641-F645 VanDerWaalsContact O-N 3.14Å; L642-F645 WeakPolarHBondContact O-CB 3.36Å; L642-F645 PolarHBondContact O-N 3.16Å; L642-F645 VanDerWaalsContact O-N 3.1Å; Q643-F645 VanDerWaalsContact C-N 3.35Å; F645-L647 HydrophobicContact CD1-CD2 3.79Å; F645-L647 HydrophobicContact CD1-CG 4.32Å; F645-L647 HydrophobicContact CE1-CD2 3.26Å; F645-L647 HydrophobicContact CE1-CG 4.23Å; F645-L647 HydrophobicContact CZ-CD2 3.75Å; F645-N653 WeakPolarHBondContact CE2-O 3.37Å; F645-M654 HydrophobicContact CZ-SD 4.42Å; F645-P656 HydrophobicContact CB-CB 4.08Å; F645-P656 HydrophobicContact CB-CG 4.5Å; F645-P656 HydrophobicContact CD2-CB 4.26Å; F645-P656 HydrophobicContact CD2-CG 4.1Å; F645-P656 HydrophobicContact CG-CB 4.3Å; F645-W657 HydrophobicContact CE1-CB 4.49Å; F645-F680 HydrophobicContact CD1-CD2 4.49Å; F645-F680 HydrophobicContact CD1-CE2 4.41Å; F645-F680 HydrophobicContact CE1-CE2 4.09Å; F645-R683 PolarHBondContact O-NH1 3.43Å; F645-W721 AromaticContact CE1-CH2 3.61Å; F645-W721 HydrophobicContact CE1-CH2 3.61Å; F645-W721 HydrophobicContact CE1-CZ2 4.23Å; F645-W721 AromaticContact CZ-CH2 3.8Å; F645-W721 HydrophobicContact CZ-CH2 3.8Å; F645-W721 HydrophobicContact CZ-CZ2 4.19Å
646	Q	85.1	Confident	86.2	Confident	141 Å²	141	62.9 Å²	62.9	66%	0.659	33%	0.333	S	S	*	.			trans	-88	113.7	-179.3	-63.5	-177.7	9.1	0	0	111.1	Q644 N648	Q644-Q646 PolarHBondContact O-N 2.97Å; Q646-N648 VanDerWaalsContact C-N 3.33Å; Q646-N648 PolarHBondContact O-N 2.94Å; Q646-N648 VanDerWaalsContact O-N 3.1Å
647	L	83.5	Confident	86.1	Confident	10 Å²	10	60 Å²	60	5%	0.052	31%	0.314	C	S	.	.			trans	-86.7	68	-179.9	-66.7	171	0	0	0	111.3	F645 P649 F680 R683 W684 V687 W721	F645-L647 HydrophobicContact CD1-CD2 3.79Å; F645-L647 HydrophobicContact CD1-CG 4.32Å; F645-L647 HydrophobicContact CE1-CD2 3.26Å; F645-L647 HydrophobicContact CE1-CG 4.23Å; F645-L647 HydrophobicContact CZ-CD2 3.75Å; L647-P649 WeakPolarHBondContact O-CD 3.37Å; L647-F680 HydrophobicContact CD1-CD2 4.37Å; L647-F680 HydrophobicContact CD1-CE2 4.25Å; L647-F680 HydrophobicContact CD2-CD2 4.46Å; L647-F680 HydrophobicContact CD2-CE2 3.76Å; L647-R683 HydrophobicContact CD1-CB 3.82Å; L647-W684 HydrophobicContact CD1-CB 4.07Å; L647-V687 HydrophobicContact CB-CG2 3.94Å; L647-V687 WeakPolarHBondContact O-CG2 3.47Å; L647-W721 HydrophobicContact CD2-CH2 4.33Å; L647-W721 HydrophobicContact CD2-CZ2 4.02Å
648	N	78.5	Confident	86	Confident	85 Å²	85	61 Å²	61	46%	0.455	32%	0.322	S	S	.	.			trans	-100.2	108	177.5	-73.7	-23.1	0	0	0	110.8	Q646 A650 K651 Q652	Q646-N648 VanDerWaalsContact C-N 3.33Å; Q646-N648 PolarHBondContact O-N 2.94Å; Q646-N648 VanDerWaalsContact O-N 3.1Å; N648-A650 PolarHBondContact O-N 2.88Å; N648-K651 CarbonylContact O-C 3.57Å; N648-K651 VanDerWaalsContact O-C 3.29Å; N648-K651 PolarHBondContact O-N 3.49Å; N648-Q652 WeakPolarHBondContact O-CG 3.4Å; N648-Q652 PolarHBondContact O-N 3.19Å
649	P	73.4	Confident	85.9	Confident	50 Å²	50	63.4 Å²	63.4	33%	0.325	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-34.3	-174.9	-28.4	35.5	0	0	0	114.9	L647 V687 W691	L647-P649 WeakPolarHBondContact O-CD 3.37Å; P649-V687 HydrophobicContact CG-CG1 3.67Å; P649-W691 HydrophobicContact CB-CD2 4.37Å; P649-W691 HydrophobicContact CB-CE3 3.96Å; P649-W691 HydrophobicContact CB-CH2 3.96Å; P649-W691 HydrophobicContact CB-CZ2 4.34Å; P649-W691 HydrophobicContact CB-CZ3 3.75Å; P649-W691 HydrophobicContact CG-CD2 4.26Å; P649-W691 HydrophobicContact CG-CE3 3.81Å; P649-W691 HydrophobicContact CG-CZ3 4.06Å
650	A	70.8	Confident	85.8	Confident	103 Å²	103	62.9 Å²	62.9	85%	0.851	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-25.4	-179.1	0	0	0	0	0	114.6	N648	N648-A650 PolarHBondContact O-N 2.88Å
651	K	72.1	Confident	85.9	Confident	183 Å²	183	60 Å²	60	80%	0.796	31%	0.311	S	S	*	.	S	Bend	trans	-151.1	78.1	-176.3	-67.4	-173.4	-178.2	179.3	0	110.5	N648	N648-K651 CarbonylContact O-C 3.57Å; N648-K651 VanDerWaalsContact O-C 3.29Å; N648-K651 PolarHBondContact O-N 3.49Å
652	Q	79.1	Confident	85.8	Confident	51 Å²	51	65.9 Å²	65.9	24%	0.238	33%	0.332	C	S	.	.			trans	-90.3	119.8	177.7	-60.9	-166.8	-30.8	0	0	110.7	N648 M654	N648-Q652 WeakPolarHBondContact O-CG 3.4Å; N648-Q652 PolarHBondContact O-N 3.19Å; Q652-M654 HydrophobicContact CB-SD 4.45Å
653	N	83.8	Confident	85.9	Confident	85 Å²	85	66 Å²	66	46%	0.455	33%	0.332	S	S	.	.			trans	-85.3	109.8	164.8	-177.3	2.1	0	0	0	109.4	F645 D655 P656	F645-N653 WeakPolarHBondContact CE2-O 3.37Å; N653-D655 PolarHBondContact ND2-OD2 3.35Å; N653-D655 VanDerWaalsContact ND2-OD2 3.11Å; N653-D655 PolarHBondContact O-N 3.37Å; N653-D655 WeakPolarHBondContact OD1-CB 3.29Å; N653-D655 PolarHBondContact OD1-N 2.99Å; N653-D655 PolarHBondContact OD1-OD2 2.75Å; N653-P656 VanDerWaalsContact O-CD 3.31Å; N653-P656 WeakPolarHBondContact O-CD 3.26Å
654	M	86.3	Confident	85.8	Confident	50 Å²	50	61.2 Å²	61.2	25%	0.246	31%	0.312	C	S	.	.			trans	-77.3	-4.4	-179.1	-64.2	-59.9	-70.1	0	0	114	F645 Q652 W657 N658 W721 Q724	F645-M654 HydrophobicContact CZ-SD 4.42Å; Q652-M654 HydrophobicContact CB-SD 4.45Å; M654-W657 HydrophobicContact CE-CB 4.26Å; M654-W657 HydrophobicContact CE-CG 4.03Å; M654-W657 WeakPolarHBondContact O-CB 3.38Å; M654-W657 PolarHBondContact O-N 3.43Å; M654-N658 WeakPolarHBondContact O-CB 3.24Å; M654-N658 PolarHBondContact O-N 3.5Å; M654-N658 PolarHBondContact O-ND2 2.94Å; M654-W721 HydrophobicContact CE-CH2 3.82Å; M654-W721 HydrophobicContact CE-CZ2 4.43Å; M654-W721 HydrophobicContact CE-CZ3 4.13Å; M654-W721 HydrophobicContact SD-CH2 4Å; M654-W721 HydrophobicContact SD-CZ2 4.24Å; M654-Q724 HydrophobicContact CE-CG 4.4Å
655	D	89.5	Confident	85.8	Confident	76 Å²	76	58.8 Å²	58.8	41%	0.406	30%	0.304	S	S	.	.	H	α-helix	trans	-56.6	-49.2	-176.6	-61.1	-31.9	0	0	0	113.3	N653 W657 N658 W659	N653-D655 PolarHBondContact ND2-OD2 3.35Å; N653-D655 VanDerWaalsContact ND2-OD2 3.11Å; N653-D655 PolarHBondContact O-N 3.37Å; N653-D655 WeakPolarHBondContact OD1-CB 3.29Å; N653-D655 PolarHBondContact OD1-N 2.99Å; N653-D655 PolarHBondContact OD1-OD2 2.75Å; D655-W657 VanDerWaalsContact C-N 3.27Å; D655-W657 PolarHBondContact O-N 3.05Å; D655-N658 PolarHBondContact O-N 3.39Å; D655-N658 VanDerWaalsContact O-N 3.12Å; D655-W659 HydrophobicContact CB-CH2 4.28Å; D655-W659 HydrophobicContact CB-CZ2 3.57Å; D655-W659 PolarHBondContact O-N 2.84Å; D655-W659 PolarHBondContact O-NE1 3.38Å
656	P	89.7	Confident	85.9	Confident	17 Å²	17	59.5 Å²	59.5	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-35.4	179.4	-22.3	35.5	0	0	0	113.3	F645 N653 W659 V660	F645-P656 HydrophobicContact CB-CB 4.08Å; F645-P656 HydrophobicContact CB-CG 4.5Å; F645-P656 HydrophobicContact CD2-CB 4.26Å; F645-P656 HydrophobicContact CD2-CG 4.1Å; F645-P656 HydrophobicContact CG-CB 4.3Å; N653-P656 VanDerWaalsContact O-CD 3.31Å; N653-P656 WeakPolarHBondContact O-CD 3.26Å; P656-W659 VanDerWaalsContact CA-CE3 3.5Å; P656-W659 HydrophobicContact CB-CE3 4.11Å; P656-W659 HydrophobicContact CB-CZ3 4.18Å; P656-W659 HydrophobicContact CG-CE3 4.37Å; P656-W659 HydrophobicContact CG-CH2 4.41Å; P656-W659 HydrophobicContact CG-CZ3 4Å; P656-V660 VanDerWaalsContact O-CG2 3.28Å; P656-V660 WeakPolarHBondContact O-CG2 3.41Å; P656-V660 PolarHBondContact O-N 3.02Å
657	W	91.2	Very high	86.2	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-64.4	-49.1	173.7	176.5	-94	0	0	0	111.1	L642 F645 M654 D655 W659 V660 M661 L676 F680 W721 Q724 L725	L642-W657 HydrophobicContact CD2-CE3 4.4Å; F645-W657 HydrophobicContact CE1-CB 4.49Å; M654-W657 HydrophobicContact CE-CB 4.26Å; M654-W657 HydrophobicContact CE-CG 4.03Å; M654-W657 WeakPolarHBondContact O-CB 3.38Å; M654-W657 PolarHBondContact O-N 3.43Å; D655-W657 VanDerWaalsContact C-N 3.27Å; D655-W657 PolarHBondContact O-N 3.05Å; W657-W659 VanDerWaalsContact C-N 3.29Å; W657-W659 PolarHBondContact O-N 2.91Å; W657-V660 PolarHBondContact O-N 3.41Å; W657-V660 VanDerWaalsContact O-N 3.11Å; W657-M661 HydrophobicContact CD2-CE 4.13Å; W657-M661 HydrophobicContact CD2-CG 4.29Å; W657-M661 HydrophobicContact CE3-CE 4.25Å; W657-M661 HydrophobicContact CG-CG 4.42Å; W657-M661 HydrophobicContact CH2-CE 3.4Å; W657-M661 HydrophobicContact CZ2-CE 3.22Å; W657-M661 HydrophobicContact CZ2-CG 4.32Å; W657-M661 HydrophobicContact CZ2-SD 4.41Å; W657-M661 HydrophobicContact CZ3-CE 3.92Å; W657-M661 WeakPolarHBondContact O-CG 3.28Å; W657-M661 PolarHBondContact O-N 2.97Å; W657-L676 HydrophobicContact CH2-CD2 3.9Å; W657-L676 HydrophobicContact CZ3-CD2 3.53Å; W657-F680 HydrophobicContact CE3-CD2 4.38Å; W657-F680 HydrophobicContact CE3-CE2 4.07Å; W657-F680 HydrophobicContact CH2-CE1 4.4Å; W657-F680 HydrophobicContact CH2-CZ 4.32Å; W657-F680 HydrophobicContact CZ3-CD1 4.29Å; W657-F680 AromaticContact CZ3-CD2 3.95Å; W657-F680 HydrophobicContact CZ3-CD2 3.95Å; W657-F680 HydrophobicContact CZ3-CE1 4.09Å; W657-F680 AromaticContact CZ3-CE2 3.7Å; W657-F680 HydrophobicContact CZ3-CE2 3.7Å; W657-F680 HydrophobicContact CZ3-CG 4.23Å; W657-F680 AromaticContact CZ3-CZ 3.8Å; W657-F680 HydrophobicContact CZ3-CZ 3.8Å; W657-W721 HydrophobicContact CD2-CH2 4.34Å; W657-W721 AromaticContact CD2-CZ3 3.66Å; W657-W721 HydrophobicContact CD2-CZ3 3.66Å; W657-W721 AromaticContact CE2-CZ3 3.83Å; W657-W721 HydrophobicContact CE3-CH2 4.28Å; W657-W721 AromaticContact CE3-CZ3 3.62Å; W657-W721 HydrophobicContact CE3-CZ3 3.62Å; W657-W721 HydrophobicContact CG-CZ3 4.28Å; W657-W721 HydrophobicContact CH2-CE3 4.13Å; W657-W721 AromaticContact CH2-CZ3 3.88Å; W657-W721 HydrophobicContact CH2-CZ3 3.88Å; W657-W721 HydrophobicContact CZ2-CE3 4.2Å; W657-W721 AromaticContact CZ2-CZ3 3.93Å; W657-W721 HydrophobicContact CZ2-CZ3 3.93Å; W657-W721 HydrophobicContact CZ3-CE3 4.34Å; W657-W721 AromaticContact CZ3-CZ3 3.73Å; W657-W721 HydrophobicContact CZ3-CZ3 3.73Å; W657-Q724 HydrophobicContact CZ2-CB 3.91Å; W657-L725 HydrophobicContact CH2-CD2 3.98Å; W657-L725 HydrophobicContact CZ2-CD2 4.25Å
658	N	92	Very high	86.5	Confident	61 Å²	61	54.2 Å²	54.2	33%	0.326	29%	0.289	S	S	.	.	H	α-helix	trans	-62.5	-36.6	178.7	-67.2	-27.1	0	0	0	111.7	M654 D655 V660 R662	M654-N658 WeakPolarHBondContact O-CB 3.24Å; M654-N658 PolarHBondContact O-N 3.5Å; M654-N658 PolarHBondContact O-ND2 2.94Å; D655-N658 PolarHBondContact O-N 3.39Å; D655-N658 VanDerWaalsContact O-N 3.12Å; N658-V660 VanDerWaalsContact C-N 3.31Å; N658-V660 PolarHBondContact O-N 3.09Å; N658-R662 WeakPolarHBondContact O-CB 3.3Å; N658-R662 WeakPolarHBondContact O-CG 3.49Å; N658-R662 PolarHBondContact O-N 3.36Å
659	W	92.9	Very high	87.1	Confident	50 Å²	50	51.9 Å²	51.9	19%	0.189	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-41.6	174.1	-58.5	-20	0	0	0	111.4	H604 P605 D655 P656 W657 W663	H604-W659 AromaticContact CE1-CE3 3.82Å; H604-W659 AromaticContact CE1-CH2 3.76Å; H604-W659 AromaticContact CE1-CZ3 3.33Å; H604-W659 WeakPolarHBondContact CE1-CZ3 3.23Å; H604-W659 AromaticContact NE2-CZ3 3.96Å; P605-W659 HydrophobicContact CB-CB 3.85Å; P605-W659 HydrophobicContact CB-CE3 4.36Å; P605-W659 HydrophobicContact CB-CG 4.45Å; D655-W659 HydrophobicContact CB-CH2 4.28Å; D655-W659 HydrophobicContact CB-CZ2 3.57Å; D655-W659 PolarHBondContact O-N 2.84Å; D655-W659 PolarHBondContact O-NE1 3.38Å; P656-W659 VanDerWaalsContact CA-CE3 3.5Å; P656-W659 HydrophobicContact CB-CE3 4.11Å; P656-W659 HydrophobicContact CB-CZ3 4.18Å; P656-W659 HydrophobicContact CG-CE3 4.37Å; P656-W659 HydrophobicContact CG-CH2 4.41Å; P656-W659 HydrophobicContact CG-CZ3 4Å; W657-W659 VanDerWaalsContact C-N 3.29Å; W657-W659 PolarHBondContact O-N 2.91Å; W659-W663 VanDerWaalsContact O-CD1 3.23Å
660	V	92.5	Very high	87.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.9	-43.8	179.6	176.7	0	0	0	0	111.6	L638 L642 P656 W657 N658 R662 W663 L672	L638-V660 HydrophobicContact CB-CG2 4.24Å; L638-V660 HydrophobicContact CD2-CG2 4.17Å; L642-V660 HydrophobicContact CD1-CG1 4.12Å; L642-V660 HydrophobicContact CD1-CG2 4.36Å; L642-V660 HydrophobicContact CD2-CB 4.26Å; L642-V660 HydrophobicContact CD2-CG1 4.4Å; L642-V660 HydrophobicContact CD2-CG2 3.8Å; L642-V660 HydrophobicContact CG-CB 4.4Å; L642-V660 HydrophobicContact CG-CG1 4.29Å; L642-V660 HydrophobicContact CG-CG2 3.66Å; P656-V660 VanDerWaalsContact O-CG2 3.28Å; P656-V660 WeakPolarHBondContact O-CG2 3.41Å; P656-V660 PolarHBondContact O-N 3.02Å; W657-V660 PolarHBondContact O-N 3.41Å; W657-V660 VanDerWaalsContact O-N 3.11Å; N658-V660 VanDerWaalsContact C-N 3.31Å; N658-V660 PolarHBondContact O-N 3.09Å; V660-R662 PolarHBondContact O-N 3.25Å; V660-W663 PolarHBondContact O-N 3.25Å; V660-L672 HydrophobicContact CG1-CD1 3.83Å
661	M	92.9	Very high	89	Confident	31 Å²	31	49.8 Å²	49.8	15%	0.153	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-30	178.8	-69.5	-56.5	161.4	0	0	112.4	W657 W663 A664 L672 L676 P726	W657-M661 HydrophobicContact CD2-CE 4.13Å; W657-M661 HydrophobicContact CD2-CG 4.29Å; W657-M661 HydrophobicContact CE3-CE 4.25Å; W657-M661 HydrophobicContact CG-CG 4.42Å; W657-M661 HydrophobicContact CH2-CE 3.4Å; W657-M661 HydrophobicContact CZ2-CE 3.22Å; W657-M661 HydrophobicContact CZ2-CG 4.32Å; W657-M661 HydrophobicContact CZ2-SD 4.41Å; W657-M661 HydrophobicContact CZ3-CE 3.92Å; W657-M661 WeakPolarHBondContact O-CG 3.28Å; W657-M661 PolarHBondContact O-N 2.97Å; M661-W663 PolarHBondContact O-N 3.2Å; M661-A664 VanDerWaalsContact O-CB 3.31Å; M661-A664 WeakPolarHBondContact O-CB 3.28Å; M661-A664 PolarHBondContact O-N 3.02Å; M661-A664 VanDerWaalsContact O-N 3.1Å; M661-L672 HydrophobicContact CE-CD1 4.05Å; M661-L672 HydrophobicContact CE-CD2 4.25Å; M661-L672 HydrophobicContact CE-CG 4.48Å; M661-L672 HydrophobicContact SD-CD1 4.18Å; M661-L672 HydrophobicContact SD-CD2 3.83Å; M661-L676 HydrophobicContact CE-CD1 4.25Å; M661-L676 HydrophobicContact CE-CD2 4.31Å; M661-P726 HydrophobicContact SD-CG 4.19Å
662	R	90.3	Very high	90.1	Very high	128 Å²	128	41.1 Å²	41.1	48%	0.483	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-8.1	167.8	-81.5	175.8	-175.5	-179.1	2.5	113.9	R611 N658 V660	R611-R662 WeakPolarHBondContact CD-O 3.37Å; R611-R662 PolarHBondContact NE-O 2.99Å; R611-R662 PolarHBondContact NH1-O 2.65Å; N658-R662 WeakPolarHBondContact O-CB 3.3Å; N658-R662 WeakPolarHBondContact O-CG 3.49Å; N658-R662 PolarHBondContact O-N 3.36Å; V660-R662 PolarHBondContact O-N 3.25Å
663	W	93.1	Very high	90.8	Very high	4 Å²	4	39 Å²	39	2%	0.015	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-0.9	174.5	-73.9	84.4	0	0	0	114	W603 A610 R611 L614 L630 V634 L638 W659 V660 M661 D665 L666 I667	W603-W663 AromaticContact CH2-CE2 3.67Å; W603-W663 HydrophobicContact CH2-CH2 4.42Å; W603-W663 AromaticContact CH2-CZ2 3.44Å; W603-W663 HydrophobicContact CH2-CZ2 3.44Å; W603-W663 VanDerWaalsContact CH2-CZ2 3.44Å; W603-W663 AromaticContact CH2-NE1 3.62Å; W603-W663 AromaticContact CZ2-CZ2 3.55Å; W603-W663 HydrophobicContact CZ2-CZ2 3.55Å; W603-W663 AromaticContact CZ2-NE1 3.97Å; W603-W663 HydrophobicContact CZ3-CZ2 4.4Å; A610-W663 HydrophobicContact CB-CH2 4.26Å; A610-W663 HydrophobicContact CB-CZ2 4.12Å; R611-W663 HydrophobicContact CB-CH2 4.21Å; R611-W663 HydrophobicContact CB-CZ2 3.96Å; L614-W663 HydrophobicContact CD1-CH2 3.82Å; L614-W663 HydrophobicContact CD1-CZ3 3.89Å; L630-W663 HydrophobicContact CD2-CE3 4.41Å; L630-W663 HydrophobicContact CD2-CZ3 3.98Å; V634-W663 HydrophobicContact CG1-CD2 3.83Å; V634-W663 HydrophobicContact CG1-CE3 3.74Å; V634-W663 HydrophobicContact CG1-CG 4.45Å; V634-W663 HydrophobicContact CG1-CH2 4.13Å; V634-W663 HydrophobicContact CG1-CZ2 4.24Å; V634-W663 HydrophobicContact CG1-CZ3 3.88Å; V634-W663 HydrophobicContact CG2-CH2 4.08Å; V634-W663 HydrophobicContact CG2-CZ3 4.04Å; L638-W663 HydrophobicContact CD1-CB 3.76Å; L638-W663 HydrophobicContact CD1-CG 3.97Å; L638-W663 HydrophobicContact CD2-CG 4.38Å; W659-W663 VanDerWaalsContact O-CD1 3.23Å; V660-W663 PolarHBondContact O-N 3.25Å; M661-W663 PolarHBondContact O-N 3.2Å; W663-D665 VanDerWaalsContact C-N 3.33Å; W663-D665 PolarHBondContact O-N 2.69Å; W663-L666 HydrophobicContact CE3-CB 4.26Å; W663-L666 HydrophobicContact CE3-CD1 3.83Å; W663-L666 HydrophobicContact CZ3-CD1 3.84Å; W663-L666 PolarHBondContact O-N 2.98Å; W663-I667 HydrophobicContact CB-CG2 4.43Å; W663-I667 WeakPolarHBondContact O-CG1 3.4Å; W663-I667 PolarHBondContact O-N 3Å; W663-I667 VanDerWaalsContact O-N 3.1Å
664	A	89.6	Confident	91.3	Very high	15 Å²	15	38.6 Å²	38.6	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-50.9	-47.8	-174.3	0	0	0	0	0	113.2	M661 L666 G668 L672	M661-A664 VanDerWaalsContact O-CB 3.31Å; M661-A664 WeakPolarHBondContact O-CB 3.28Å; M661-A664 PolarHBondContact O-N 3.02Å; M661-A664 VanDerWaalsContact O-N 3.1Å; A664-L666 VanDerWaalsContact C-N 3.27Å; A664-L666 PolarHBondContact O-N 3.49Å; A664-G668 WeakPolarHBondContact O-CA 3.49Å; A664-G668 PolarHBondContact O-N 3.43Å; A664-L672 HydrophobicContact CB-CD2 3.85Å
665	D	88.1	Confident	91.6	Very high	89 Å²	89	36.4 Å²	36.4	48%	0.476	20%	0.2	S	C	.	.	H	α-helix	trans	-66.2	-24.5	-177.6	-39.2	-38.7	0	0	0	114.4	R611 R618 W663	R611-D665 IonicContact CZ-OD2 3.42Å; R611-D665 IonicContact NH1-OD2 3.09Å; R611-D665 PolarHBondContact NH1-OD2 3.37Å; R611-D665 VanDerWaalsContact NH1-OD2 3.09Å; R611-D665 IonicContact NH2-OD2 2.74Å; R611-D665 PolarHBondContact NH2-OD2 2.93Å; R618-D665 PolarHBondContact NH1-O 3.22Å; W663-D665 VanDerWaalsContact C-N 3.33Å; W663-D665 PolarHBondContact O-N 2.69Å
666	L	89.3	Confident	91.8	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.099	18%	0.181	C	C	.	.	H	α-helix	trans	-93.6	-42.6	-176.3	-78.5	174	0	0	0	112.4	R611 M615 R618 L630 W663 A664	R611-L666 HydrophobicContact CG-CD1 3.99Å; M615-L666 HydrophobicContact SD-CD1 4.45Å; M615-L666 HydrophobicContact SD-CD2 3.76Å; M615-L666 HydrophobicContact SD-CG 4.1Å; R618-L666 HydrophobicContact CB-CD2 4.11Å; R618-L666 HydrophobicContact CG-CD2 4.19Å; L630-L666 HydrophobicContact CD1-CB 4.34Å; L630-L666 VanDerWaalsContact CD1-O 3.28Å; L630-L666 WeakPolarHBondContact CD1-O 3.5Å; W663-L666 HydrophobicContact CE3-CB 4.26Å; W663-L666 HydrophobicContact CE3-CD1 3.83Å; W663-L666 HydrophobicContact CZ3-CD1 3.84Å; W663-L666 PolarHBondContact O-N 2.98Å; A664-L666 VanDerWaalsContact C-N 3.27Å; A664-L666 PolarHBondContact O-N 3.49Å
667	I	91.4	Very high	91.9	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.092	20%	0.195	C	C	.	.	H	α-helix	trans	-82.5	-19.8	179.9	68.2	-176.3	0	0	0	112.7	L630 V635 L638 W663 V671 L672 L675	L630-I667 HydrophobicContact CB-CG2 4.45Å; L630-I667 HydrophobicContact CD1-CG2 4.24Å; V635-I667 HydrophobicContact CG2-CG2 4.19Å; L638-I667 HydrophobicContact CD1-CD1 4.19Å; W663-I667 HydrophobicContact CB-CG2 4.43Å; W663-I667 WeakPolarHBondContact O-CG1 3.4Å; W663-I667 PolarHBondContact O-N 3Å; W663-I667 VanDerWaalsContact O-N 3.1Å; I667-V671 HydrophobicContact CB-CB 4.27Å; I667-V671 HydrophobicContact CB-CG1 4.27Å; I667-V671 HydrophobicContact CD1-CG1 4.34Å; I667-V671 HydrophobicContact CG1-CB 4.37Å; I667-V671 WeakPolarHBondContact O-CG2 3.38Å; I667-L672 HydrophobicContact CD1-CB 4.25Å; I667-L675 HydrophobicContact CD1-CD1 4.17Å
668	G	90.6	Very high	91.9	Very high	22 Å²	22	41.4 Å²	41.4	23%	0.227	22%	0.219	C	C	.	.			trans	82.7	159.9	-178.1	0	0	0	0	0	113.9	A664 A670 V671 L672	A664-G668 WeakPolarHBondContact O-CA 3.49Å; A664-G668 PolarHBondContact O-N 3.43Å; G668-A670 PolarHBondContact O-N 3.02Å; G668-V671 PolarHBondContact O-N 2.82Å; G668-L672 PolarHBondContact O-N 3.24Å
669	P	90.3	Very high	91.9	Very high	36 Å²	36	41 Å²	41	23%	0.234	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-36.2	-171.8	23.8	-33.6	0	0	0	113.1	V671 L672 V673 E728 Y732	P669-V671 PolarHBondContact O-N 3.48Å; P669-L672 PolarHBondContact O-N 2.9Å; P669-V673 WeakPolarHBondContact O-CB 3.28Å; P669-V673 VanDerWaalsContact O-CG2 3.25Å; P669-V673 WeakPolarHBondContact O-CG2 3.29Å; P669-V673 PolarHBondContact O-N 3.39Å; P669-E728 HydrophobicContact CB-CB 4.17Å; P669-Y732 HydrophobicContact CB-CE2 3.97Å
670	A	91.2	Very high	91.9	Very high	54 Å²	54	38.6 Å²	38.6	45%	0.446	21%	0.206	S	C	.	.	H	α-helix	trans	-63.7	-42.5	-178.8	0	0	0	0	0	113	G668 V673 N674 Y732	G668-A670 PolarHBondContact O-N 3.02Å; A670-V673 PolarHBondContact O-N 3.17Å; A670-N674 WeakPolarHBondContact O-CB 3.36Å; A670-N674 PolarHBondContact O-N 2.88Å; A670-Y732 HydrophobicContact CB-CE1 4.17Å; A670-Y732 PolarHBondContact N-OH 3.41Å
671	V	94.1	Very high	91.9	Very high	56 Å²	56	39.2 Å²	39.2	34%	0.339	21%	0.208	S	C	.	.	H	α-helix	trans	-69.4	-40.7	178.4	-179.1	0	0	0	0	110.4	V635 I667 G668 P669 N674 L675	V635-V671 HydrophobicContact CG1-CG1 4.11Å; V635-V671 HydrophobicContact CG2-CG1 3.85Å; I667-V671 HydrophobicContact CB-CB 4.27Å; I667-V671 HydrophobicContact CB-CG1 4.27Å; I667-V671 HydrophobicContact CD1-CG1 4.34Å; I667-V671 HydrophobicContact CG1-CB 4.37Å; I667-V671 WeakPolarHBondContact O-CG2 3.38Å; G668-V671 PolarHBondContact O-N 2.82Å; P669-V671 PolarHBondContact O-N 3.48Å; V671-N674 PolarHBondContact O-N 3.19Å; V671-L675 WeakPolarHBondContact O-CG 3.48Å; V671-L675 PolarHBondContact O-N 3.38Å
672	L	94.3	Very high	91.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-60.6	-45.5	175.4	-178.7	61.9	0	0	0	111.7	V660 M661 A664 I667 G668 P669 N674 L675 L676 P726	V660-L672 HydrophobicContact CG1-CD1 3.83Å; M661-L672 HydrophobicContact CE-CD1 4.05Å; M661-L672 HydrophobicContact CE-CD2 4.25Å; M661-L672 HydrophobicContact CE-CG 4.48Å; M661-L672 HydrophobicContact SD-CD1 4.18Å; M661-L672 HydrophobicContact SD-CD2 3.83Å; A664-L672 HydrophobicContact CB-CD2 3.85Å; I667-L672 HydrophobicContact CD1-CB 4.25Å; G668-L672 PolarHBondContact O-N 3.24Å; P669-L672 PolarHBondContact O-N 2.9Å; L672-N674 VanDerWaalsContact C-N 3.35Å; L672-N674 PolarHBondContact O-N 2.96Å; L672-L675 WeakPolarHBondContact O-CB 3.34Å; L672-L675 PolarHBondContact O-N 3.49Å; L672-L676 HydrophobicContact CG-CD1 4.48Å; L672-L676 WeakPolarHBondContact O-CG 3.35Å; L672-L676 PolarHBondContact O-N 3.4Å; L672-P726 HydrophobicContact CD2-CG 4.16Å
673	V	93.5	Very high	91.8	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-43.6	177	168.5	0	0	0	0	111.2	P669 A670 L675 L676 E677 C729 Y732 S734 V735	P669-V673 WeakPolarHBondContact O-CB 3.28Å; P669-V673 VanDerWaalsContact O-CG2 3.25Å; P669-V673 WeakPolarHBondContact O-CG2 3.29Å; P669-V673 PolarHBondContact O-N 3.39Å; A670-V673 PolarHBondContact O-N 3.17Å; V673-L675 VanDerWaalsContact C-N 3.35Å; V673-L675 PolarHBondContact O-N 3.02Å; V673-L676 PolarHBondContact O-N 2.88Å; V673-E677 WeakPolarHBondContact O-CB 3.44Å; V673-E677 PolarHBondContact O-N 2.88Å; V673-C729 HydrophobicContact CG2-CB 3.89Å; V673-Y732 HydrophobicContact CB-CD1 4.42Å; V673-Y732 HydrophobicContact CB-CG 4.37Å; V673-Y732 HydrophobicContact CG1-CD1 4.18Å; V673-Y732 HydrophobicContact CG1-CG 4.13Å; V673-Y732 HydrophobicContact CG2-CD1 4.3Å; V673-Y732 HydrophobicContact CG2-CD2 3.84Å; V673-Y732 HydrophobicContact CG2-CE2 4.31Å; V673-Y732 HydrophobicContact CG2-CG 3.84Å; V673-S734 WeakPolarHBondContact CG1-OG 3.35Å; V673-V735 HydrophobicContact CG1-CG2 4.12Å; V673-V735 HydrophobicContact CG2-CG2 4.08Å
674	N	93.7	Very high	91.8	Very high	78 Å²	78	37.5 Å²	37.5	42%	0.417	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-40.9	176.5	-174.9	-90.1	0	0	0	112.2	A670 V671 L672 L676 E677 H678	A670-N674 WeakPolarHBondContact O-CB 3.36Å; A670-N674 PolarHBondContact O-N 2.88Å; V671-N674 PolarHBondContact O-N 3.19Å; L672-N674 VanDerWaalsContact C-N 3.35Å; L672-N674 PolarHBondContact O-N 2.96Å; N674-L676 PolarHBondContact O-N 2.92Å; N674-E677 PolarHBondContact O-N 3.45Å; N674-H678 PolarHBondContact ND2-NE2 3.44Å; N674-H678 VanDerWaalsContact ND2-NE2 3.18Å; N674-H678 PolarHBondContact O-CD2 3.5Å; N674-H678 PolarHBondContact O-N 3.17Å; N674-H678 VanDerWaalsContact O-N 3.15Å; N674-H678 PolarHBondContact OD1-CD2 3.45Å; N674-H678 VanDerWaalsContact OD1-CD2 3.29Å
675	L	94.1	Very high	91.9	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-44.8	173.8	-76.5	176.8	0	0	0	111.9	V635 L638 A639 L642 I667 V671 L672 V673 H679	V635-L675 HydrophobicContact CG1-CD1 4.3Å; V635-L675 HydrophobicContact CG1-CD2 3.93Å; V635-L675 HydrophobicContact CG1-CG 4.32Å; L638-L675 HydrophobicContact CB-CD1 4.14Å; A639-L675 HydrophobicContact CB-CD2 3.66Å; L642-L675 HydrophobicContact CD1-CB 4.06Å; I667-L675 HydrophobicContact CD1-CD1 4.17Å; V671-L675 WeakPolarHBondContact O-CG 3.48Å; V671-L675 PolarHBondContact O-N 3.38Å; L672-L675 WeakPolarHBondContact O-CB 3.34Å; L672-L675 PolarHBondContact O-N 3.49Å; V673-L675 VanDerWaalsContact C-N 3.35Å; V673-L675 PolarHBondContact O-N 3.02Å; L675-H679 WeakPolarHBondContact O-CB 3.32Å; L675-H679 PolarHBondContact O-N 2.89Å; L675-H679 PolarHBondContact O-ND1 3.44Å
676	L	92.8	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-39.9	178.4	-67.5	176.2	0	0	0	112.2	L642 W657 M661 L672 V673 N674 F680 W681 L725	L642-L676 HydrophobicContact CD1-CD2 4.39Å; W657-L676 HydrophobicContact CH2-CD2 3.9Å; W657-L676 HydrophobicContact CZ3-CD2 3.53Å; M661-L676 HydrophobicContact CE-CD1 4.25Å; M661-L676 HydrophobicContact CE-CD2 4.31Å; L672-L676 HydrophobicContact CG-CD1 4.48Å; L672-L676 WeakPolarHBondContact O-CG 3.35Å; L672-L676 PolarHBondContact O-N 3.4Å; V673-L676 PolarHBondContact O-N 2.88Å; N674-L676 PolarHBondContact O-N 2.92Å; L676-F680 HydrophobicContact CB-CB 4.42Å; L676-F680 HydrophobicContact CD2-CB 3.9Å; L676-F680 HydrophobicContact CD2-CD1 4.13Å; L676-F680 HydrophobicContact CD2-CG 4.04Å; L676-F680 CarbonylContact O-C 3.6Å; L676-F680 WeakPolarHBondContact O-CA 3.33Å; L676-F680 WeakPolarHBondContact O-CB 3.36Å; L676-F680 PolarHBondContact O-N 3.24Å; L676-W681 HydrophobicContact CD1-CZ2 4.49Å; L676-W681 PolarHBondContact O-N 3.4Å; L676-L725 HydrophobicContact CD1-CD2 3.88Å
677	E	92.2	Very high	92.1	Very high	90 Å²	90	35.5 Å²	35.5	42%	0.421	20%	0.201	S	C	.	.	I	π-helix	trans	-59	-49.7	177.7	-171.7	175.2	163	0	0	112.8	V673 N674 S734	V673-E677 WeakPolarHBondContact O-CB 3.44Å; V673-E677 PolarHBondContact O-N 2.88Å; N674-E677 PolarHBondContact O-N 3.45Å; E677-S734 WeakPolarHBondContact OE2-CB 3.28Å; E677-S734 PolarHBondContact OE2-OG 2.83Å
678	H	91.4	Very high	92.1	Very high	108 Å²	108	34.6 Å²	34.6	50%	0.5	20%	0.197	S	C	.	.	I	π-helix	trans	-82.2	-32.8	-175.9	-64.6	-56.1	0	0	0	113.6	N674	N674-H678 PolarHBondContact ND2-NE2 3.44Å; N674-H678 VanDerWaalsContact ND2-NE2 3.18Å; N674-H678 PolarHBondContact O-CD2 3.5Å; N674-H678 PolarHBondContact O-N 3.17Å; N674-H678 VanDerWaalsContact O-N 3.15Å; N674-H678 PolarHBondContact OD1-CD2 3.45Å; N674-H678 VanDerWaalsContact OD1-CD2 3.29Å
679	H	91.2	Very high	92	Very high	52 Å²	52	33.8 Å²	33.8	24%	0.241	19%	0.188	C	C	.	.	I	π-helix	trans	-112.9	-14.3	-168.6	-50.4	90.1	0	0	0	113.9	L642 L675 R683	L642-H679 HydrophobicContact CB-CB 4.06Å; L675-H679 WeakPolarHBondContact O-CB 3.32Å; L675-H679 PolarHBondContact O-N 2.89Å; L675-H679 PolarHBondContact O-ND1 3.44Å; H679-R683 PolarHBondContact O-NE 3.3Å; H679-R683 PolarHBondContact O-NH2 2.82Å
680	F	93.6	Very high	92	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-120.2	-53.1	-173.4	178.5	-98.1	0	0	0	113.7	F645 L647 W657 L676 S682 R683 W684 W721	F645-F680 HydrophobicContact CD1-CD2 4.49Å; F645-F680 HydrophobicContact CD1-CE2 4.41Å; F645-F680 HydrophobicContact CE1-CE2 4.09Å; L647-F680 HydrophobicContact CD1-CD2 4.37Å; L647-F680 HydrophobicContact CD1-CE2 4.25Å; L647-F680 HydrophobicContact CD2-CD2 4.46Å; L647-F680 HydrophobicContact CD2-CE2 3.76Å; W657-F680 HydrophobicContact CE3-CD2 4.38Å; W657-F680 HydrophobicContact CE3-CE2 4.07Å; W657-F680 HydrophobicContact CH2-CE1 4.4Å; W657-F680 HydrophobicContact CH2-CZ 4.32Å; W657-F680 HydrophobicContact CZ3-CD1 4.29Å; W657-F680 AromaticContact CZ3-CD2 3.95Å; W657-F680 HydrophobicContact CZ3-CD2 3.95Å; W657-F680 HydrophobicContact CZ3-CE1 4.09Å; W657-F680 AromaticContact CZ3-CE2 3.7Å; W657-F680 HydrophobicContact CZ3-CE2 3.7Å; W657-F680 HydrophobicContact CZ3-CG 4.23Å; W657-F680 AromaticContact CZ3-CZ 3.8Å; W657-F680 HydrophobicContact CZ3-CZ 3.8Å; L676-F680 HydrophobicContact CB-CB 4.42Å; L676-F680 HydrophobicContact CD2-CB 3.9Å; L676-F680 HydrophobicContact CD2-CD1 4.13Å; L676-F680 HydrophobicContact CD2-CG 4.04Å; L676-F680 CarbonylContact O-C 3.6Å; L676-F680 WeakPolarHBondContact O-CA 3.33Å; L676-F680 WeakPolarHBondContact O-CB 3.36Å; L676-F680 PolarHBondContact O-N 3.24Å; F680-S682 PolarHBondContact O-N 2.91Å; F680-R683 PolarHBondContact O-N 3.23Å; F680-W684 HydrophobicContact CD1-CB 4.32Å; F680-W684 HydrophobicContact CE1-CB 3.95Å; F680-W684 AromaticContact CE1-CG 3.95Å; F680-W684 HydrophobicContact CE1-CG 3.95Å; F680-W684 HydrophobicContact CZ-CB 4.08Å; F680-W684 AromaticContact CZ-CD1 3.72Å; F680-W684 AromaticContact CZ-CG 3.98Å; F680-W684 HydrophobicContact CZ-CG 3.98Å; F680-W684 PolarHBondContact O-N 2.9Å; F680-W721 HydrophobicContact CE1-CE3 4.44Å; F680-W721 HydrophobicContact CE2-CE3 4.28Å; F680-W721 AromaticContact CE2-CH2 3.96Å; F680-W721 HydrophobicContact CE2-CH2 3.96Å; F680-W721 AromaticContact CE2-CZ3 3.8Å; F680-W721 HydrophobicContact CE2-CZ3 3.8Å; F680-W721 HydrophobicContact CZ-CD2 4.06Å; F680-W721 AromaticContact CZ-CE3 3.57Å; F680-W721 HydrophobicContact CZ-CE3 3.57Å; F680-W721 HydrophobicContact CZ-CH2 4.04Å; F680-W721 HydrophobicContact CZ-CZ2 4.45Å; F680-W721 AromaticContact CZ-CZ3 3.56Å; F680-W721 HydrophobicContact CZ-CZ3 3.56Å
681	W	92.6	Very high	92	Very high	13 Å²	13	35.2 Å²	35.2	5%	0.049	18%	0.184	C	C	.	.	I	π-helix	trans	-61.1	-40.9	-166.8	-71.2	138.8	0	0	0	114.4	L676 R683 W684 L685 L725 V735 A738	L676-W681 HydrophobicContact CD1-CZ2 4.49Å; L676-W681 PolarHBondContact O-N 3.4Å; W681-R683 PolarHBondContact O-N 2.86Å; W681-W684 HydrophobicContact CE3-CD2 4.14Å; W681-W684 AromaticContact CE3-CE3 3.65Å; W681-W684 HydrophobicContact CE3-CE3 3.65Å; W681-W684 HydrophobicContact CE3-CZ3 4.15Å; W681-W684 HydrophobicContact CZ3-CD2 4.02Å; W681-W684 AromaticContact CZ3-CE3 3.72Å; W681-W684 HydrophobicContact CZ3-CE3 3.72Å; W681-W684 HydrophobicContact CZ3-CH2 4.47Å; W681-W684 AromaticContact CZ3-CZ3 3.94Å; W681-W684 HydrophobicContact CZ3-CZ3 3.94Å; W681-W684 PolarHBondContact O-N 3.35Å; W681-L685 WeakPolarHBondContact O-CB 3.4Å; W681-L685 VanDerWaalsContact O-CG 3.31Å; W681-L685 WeakPolarHBondContact O-CG 3.24Å; W681-L685 PolarHBondContact O-N 2.9Å; W681-L725 HydrophobicContact CH2-CD1 3.97Å; W681-L725 HydrophobicContact CH2-CD2 4.28Å; W681-L725 HydrophobicContact CZ2-CD1 4.26Å; W681-L725 HydrophobicContact CZ2-CD2 4.21Å; W681-V735 HydrophobicContact CZ2-CG1 4.16Å; W681-V735 HydrophobicContact CZ2-CG2 4.37Å; W681-A738 HydrophobicContact CB-CB 4.22Å; W681-A738 HydrophobicContact CD2-CB 3.55Å; W681-A738 HydrophobicContact CE3-CB 3.78Å; W681-A738 HydrophobicContact CG-CB 3.72Å; W681-A738 HydrophobicContact CZ3-CB 4.38Å
682	S	90.4	Very high	91.7	Very high	66 Å²	66	32.6 Å²	32.6	46%	0.462	17%	0.168	S	C	.	.	H	α-helix	trans	-59.5	-45.9	178.4	58.5	0	0	0	0	112.1	F680 S686	F680-S682 PolarHBondContact O-N 2.91Å; S682-S686 WeakPolarHBondContact O-CB 3.19Å; S682-S686 PolarHBondContact O-N 2.9Å
683	R	91.3	Very high	91.5	Very high	61 Å²	61	34.6 Å²	34.6	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-70.2	-42.1	-180	-61.6	-176.4	-61.3	139	16.6	110.8	L642 Q643 F645 L647 H679 F680 W681 S686 V687	L642-R683 PolarHBondContact O-NH1 3.42Å; L642-R683 PolarHBondContact O-NH2 3.4Å; Q643-R683 PolarHBondContact O-NH1 2.85Å; F645-R683 PolarHBondContact O-NH1 3.43Å; L647-R683 HydrophobicContact CD1-CB 3.82Å; H679-R683 PolarHBondContact O-NE 3.3Å; H679-R683 PolarHBondContact O-NH2 2.82Å; F680-R683 PolarHBondContact O-N 3.23Å; W681-R683 PolarHBondContact O-N 2.86Å; R683-S686 WeakPolarHBondContact CA-OG 3.44Å; R683-S686 PolarHBondContact O-N 3.34Å; R683-S686 PolarHBondContact O-OG 2.89Å; R683-V687 WeakPolarHBondContact O-CG2 3.29Å; R683-V687 PolarHBondContact O-N 2.89Å
684	W	92.2	Very high	91.3	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-45.6	176.3	-177.5	82	0	0	0	112.5	L647 F680 W681 S686 V687 L688 W717 Y718 W721 L739 A742	L647-W684 HydrophobicContact CD1-CB 4.07Å; F680-W684 HydrophobicContact CD1-CB 4.32Å; F680-W684 HydrophobicContact CE1-CB 3.95Å; F680-W684 AromaticContact CE1-CG 3.95Å; F680-W684 HydrophobicContact CE1-CG 3.95Å; F680-W684 HydrophobicContact CZ-CB 4.08Å; F680-W684 AromaticContact CZ-CD1 3.72Å; F680-W684 AromaticContact CZ-CG 3.98Å; F680-W684 HydrophobicContact CZ-CG 3.98Å; F680-W684 PolarHBondContact O-N 2.9Å; W681-W684 HydrophobicContact CE3-CD2 4.14Å; W681-W684 AromaticContact CE3-CE3 3.65Å; W681-W684 HydrophobicContact CE3-CE3 3.65Å; W681-W684 HydrophobicContact CE3-CZ3 4.15Å; W681-W684 HydrophobicContact CZ3-CD2 4.02Å; W681-W684 AromaticContact CZ3-CE3 3.72Å; W681-W684 HydrophobicContact CZ3-CE3 3.72Å; W681-W684 HydrophobicContact CZ3-CH2 4.47Å; W681-W684 AromaticContact CZ3-CZ3 3.94Å; W681-W684 HydrophobicContact CZ3-CZ3 3.94Å; W681-W684 PolarHBondContact O-N 3.35Å; W684-S686 VanDerWaalsContact C-N 3.35Å; W684-S686 PolarHBondContact O-N 2.82Å; W684-V687 PolarHBondContact O-N 2.98Å; W684-L688 WeakPolarHBondContact O-CB 3.47Å; W684-L688 PolarHBondContact O-N 3.15Å; W684-W717 AromaticContact CD1-CH2 3.31Å; W684-W717 AromaticContact CD1-CZ2 3.58Å; W684-W717 HydrophobicContact CD2-CH2 4.28Å; W684-W717 AromaticContact CE2-CH2 3.78Å; W684-W717 AromaticContact CE2-CZ3 3.77Å; W684-W717 HydrophobicContact CG-CH2 4.02Å; W684-W717 HydrophobicContact CZ2-CZ3 4.12Å; W684-W717 AromaticContact NE1-CH2 3.12Å; W684-W717 AromaticContact NE1-CZ2 3.48Å; W684-W717 AromaticContact NE1-CZ3 3.49Å; W684-Y718 AromaticContact CH2-CD2 3.73Å; W684-Y718 HydrophobicContact CH2-CD2 3.73Å; W684-Y718 HydrophobicContact CH2-CE2 4Å; W684-Y718 HydrophobicContact CZ2-CD2 4.02Å; W684-W721 HydrophobicContact CZ2-CB 4.25Å; W684-W721 AromaticContact NE1-CD1 3.28Å; W684-W721 VanDerWaalsContact NE1-CD1 3.28Å; W684-W721 AromaticContact NE1-CD2 3.95Å; W684-W721 AromaticContact NE1-CG 3.44Å; W684-W721 AromaticContact NE1-NE1 3.71Å; W684-L739 HydrophobicContact CH2-CD2 4.27Å; W684-A742 HydrophobicContact CH2-CB 3.54Å; W684-A742 HydrophobicContact CZ3-CB 3.53Å
685	L	91.2	Very high	91	Very high	12 Å²	12	35.7 Å²	35.7	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-36.9	174.4	-69.8	174.6	0	0	0	112.2	W681 L688 S689 K741 A742 M745	W681-L685 WeakPolarHBondContact O-CB 3.4Å; W681-L685 VanDerWaalsContact O-CG 3.31Å; W681-L685 WeakPolarHBondContact O-CG 3.24Å; W681-L685 PolarHBondContact O-N 2.9Å; L685-L688 HydrophobicContact CD2-CD2 4.46Å; L685-L688 WeakPolarHBondContact O-CB 3.21Å; L685-L688 PolarHBondContact O-N 3.33Å; L685-S689 PolarHBondContact O-N 3Å; L685-K741 HydrophobicContact CD1-CB 4.33Å; L685-K741 HydrophobicContact CD1-CD 4.31Å; L685-K741 HydrophobicContact CD2-CB 4.36Å; L685-A742 HydrophobicContact CD2-CB 3.92Å; L685-M745 HydrophobicContact CD2-SD 4.15Å
686	S	91.6	Very high	90.8	Very high	41 Å²	41	35.8 Å²	35.8	29%	0.287	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-43.1	176	75.2	0	0	0	0	112.1	S682 R683 W684 L688 S689 N690	S682-S686 WeakPolarHBondContact O-CB 3.19Å; S682-S686 PolarHBondContact O-N 2.9Å; R683-S686 WeakPolarHBondContact CA-OG 3.44Å; R683-S686 PolarHBondContact O-N 3.34Å; R683-S686 PolarHBondContact O-OG 2.89Å; W684-S686 VanDerWaalsContact C-N 3.35Å; W684-S686 PolarHBondContact O-N 2.82Å; S686-L688 VanDerWaalsContact C-N 3.34Å; S686-L688 PolarHBondContact O-N 2.88Å; S686-S689 PolarHBondContact O-N 3.31Å; S686-S689 PolarHBondContact O-OG 2.91Å; S686-N690 PolarHBondContact O-N 2.97Å; S686-N690 PolarHBondContact O-ND2 2.73Å
687	V	90.6	Very high	90.7	Very high	27 Å²	27	41.2 Å²	41.2	16%	0.164	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-42.4	176	171.5	0	0	0	0	110.4	L647 P649 R683 W684 N690 W691 W717	L647-V687 HydrophobicContact CB-CG2 3.94Å; L647-V687 WeakPolarHBondContact O-CG2 3.47Å; P649-V687 HydrophobicContact CG-CG1 3.67Å; R683-V687 WeakPolarHBondContact O-CG2 3.29Å; R683-V687 PolarHBondContact O-N 2.89Å; W684-V687 PolarHBondContact O-N 2.98Å; V687-N690 PolarHBondContact O-N 3.33Å; V687-W691 WeakPolarHBondContact O-CB 3.47Å; V687-W691 PolarHBondContact O-N 3Å; V687-W717 HydrophobicContact CB-CH2 4.49Å; V687-W717 HydrophobicContact CG1-CH2 4.17Å; V687-W717 HydrophobicContact CG1-CZ2 4.22Å
688	L	90.8	Very high	90.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-45.8	173.9	-178.8	60.7	0	0	0	111.8	W684 L685 S686 N690 W691 L692 V714 W717 A742 M745 M746	W684-L688 WeakPolarHBondContact O-CB 3.47Å; W684-L688 PolarHBondContact O-N 3.15Å; L685-L688 HydrophobicContact CD2-CD2 4.46Å; L685-L688 WeakPolarHBondContact O-CB 3.21Å; L685-L688 PolarHBondContact O-N 3.33Å; S686-L688 VanDerWaalsContact C-N 3.34Å; S686-L688 PolarHBondContact O-N 2.88Å; L688-N690 PolarHBondContact O-N 2.98Å; L688-W691 PolarHBondContact O-N 3.5Å; L688-L692 HydrophobicContact CD1-CD1 3.84Å; L688-L692 HydrophobicContact CD1-CG 4Å; L688-L692 HydrophobicContact CG-CD1 3.84Å; L688-L692 HydrophobicContact CG-CG 4.39Å; L688-L692 WeakPolarHBondContact O-CB 3.36Å; L688-L692 VanDerWaalsContact O-CG 3.28Å; L688-L692 WeakPolarHBondContact O-CG 3.43Å; L688-L692 PolarHBondContact O-N 3.04Å; L688-V714 HydrophobicContact CD1-CG1 3.39Å; L688-W717 HydrophobicContact CB-CH2 4.45Å; L688-W717 HydrophobicContact CB-CZ3 3.96Å; L688-W717 HydrophobicContact CD1-CE3 4.35Å; L688-W717 HydrophobicContact CD1-CZ3 3.97Å; L688-W717 HydrophobicContact CG-CZ3 4.46Å; L688-A742 HydrophobicContact CD2-CB 3.47Å; L688-A742 VanDerWaalsContact CD2-CB 3.47Å; L688-M745 HydrophobicContact CB-CE 4.39Å; L688-M745 HydrophobicContact CD2-CE 4.39Å; L688-M745 HydrophobicContact CG-CE 4.23Å; L688-M746 HydrophobicContact CD1-CG 4.46Å
689	S	89.7	Confident	90.2	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-45.7	178.8	70.5	0	0	0	0	111.6	L685 S686 W691 L692 N693 M745	L685-S689 PolarHBondContact O-N 3Å; S686-S689 PolarHBondContact O-N 3.31Å; S686-S689 PolarHBondContact O-OG 2.91Å; S689-W691 PolarHBondContact O-N 3.42Å; S689-L692 PolarHBondContact O-N 3.27Å; S689-N693 WeakPolarHBondContact O-CB 3.44Å; S689-N693 VanDerWaalsContact O-CG 3.31Å; S689-N693 PolarHBondContact O-N 2.94Å; S689-N693 PolarHBondContact O-ND2 3.44Å; S689-M745 VanDerWaalsContact CA-CE 3.42Å
690	N	90.2	Very high	90	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	20%	0.202	S	C	.	.	H	α-helix	trans	-67.2	-38.7	-179.7	-69.6	-20.5	0	0	0	111.8	S686 V687 L688 N693 Q694	S686-N690 PolarHBondContact O-N 2.97Å; S686-N690 PolarHBondContact O-ND2 2.73Å; V687-N690 PolarHBondContact O-N 3.33Å; L688-N690 PolarHBondContact O-N 2.98Å; N690-N693 PolarHBondContact O-N 2.78Å; N690-Q694 WeakPolarHBondContact O-CG 3.48Å; N690-Q694 PolarHBondContact O-N 3.41Å
691	W	90.3	Very high	89.8	Confident	29 Å²	29	48.6 Å²	48.6	11%	0.11	23%	0.231	C	C	.	.	H	α-helix	trans	-71.7	-38.6	178.2	-164.8	10.1	0	0	0	112.1	P649 V687 L688 S689 Q694 G695 E713 V714 W717	P649-W691 HydrophobicContact CB-CD2 4.37Å; P649-W691 HydrophobicContact CB-CE3 3.96Å; P649-W691 HydrophobicContact CB-CH2 3.96Å; P649-W691 HydrophobicContact CB-CZ2 4.34Å; P649-W691 HydrophobicContact CB-CZ3 3.75Å; P649-W691 HydrophobicContact CG-CD2 4.26Å; P649-W691 HydrophobicContact CG-CE3 3.81Å; P649-W691 HydrophobicContact CG-CZ3 4.06Å; V687-W691 WeakPolarHBondContact O-CB 3.47Å; V687-W691 PolarHBondContact O-N 3Å; L688-W691 PolarHBondContact O-N 3.5Å; S689-W691 PolarHBondContact O-N 3.42Å; W691-Q694 WeakPolarHBondContact O-CB 3.5Å; W691-Q694 PolarHBondContact O-N 3.32Å; W691-G695 PolarHBondContact O-N 3.35Å; W691-E713 HydrophobicContact CH2-CB 3.89Å; W691-E713 HydrophobicContact CZ2-CB 3.59Å; W691-V714 HydrophobicContact CD2-CG2 3.46Å; W691-V714 VanDerWaalsContact CD2-CG2 3.46Å; W691-V714 HydrophobicContact CE3-CG2 3.56Å; W691-V714 HydrophobicContact CG-CG2 3.91Å; W691-V714 HydrophobicContact CH2-CG2 4.27Å; W691-V714 HydrophobicContact CZ2-CG2 4.21Å; W691-V714 HydrophobicContact CZ3-CG2 3.96Å; W691-W717 HydrophobicContact CE3-CD2 4.37Å; W691-W717 HydrophobicContact CE3-CE3 4.33Å; W691-W717 HydrophobicContact CH2-CB 4.12Å; W691-W717 HydrophobicContact CH2-CG 4.38Å; W691-W717 HydrophobicContact CZ3-CB 3.71Å; W691-W717 AromaticContact CZ3-CD2 3.8Å; W691-W717 HydrophobicContact CZ3-CD2 3.8Å; W691-W717 HydrophobicContact CZ3-CE3 4.11Å; W691-W717 AromaticContact CZ3-CG 3.66Å; W691-W717 HydrophobicContact CZ3-CG 3.66Å
692	L	89.1	Confident	89.4	Confident	1 Å²	1	50 Å²	50	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-35.2	174.2	-74.6	174	0	0	0	112.6	L688 S689 Q694 G695 V696 Y711 V714 M745 M746 S749 P755	L688-L692 HydrophobicContact CD1-CD1 3.84Å; L688-L692 HydrophobicContact CD1-CG 4Å; L688-L692 HydrophobicContact CG-CD1 3.84Å; L688-L692 HydrophobicContact CG-CG 4.39Å; L688-L692 WeakPolarHBondContact O-CB 3.36Å; L688-L692 VanDerWaalsContact O-CG 3.28Å; L688-L692 WeakPolarHBondContact O-CG 3.43Å; L688-L692 PolarHBondContact O-N 3.04Å; S689-L692 PolarHBondContact O-N 3.27Å; L692-Q694 VanDerWaalsContact C-N 3.28Å; L692-Q694 PolarHBondContact O-N 2.96Å; L692-G695 WeakPolarHBondContact O-CA 3.42Å; L692-G695 PolarHBondContact O-N 2.86Å; L692-G695 VanDerWaalsContact O-N 3.07Å; L692-V696 PolarHBondContact O-N 2.77Å; L692-Y711 HydrophobicContact CD2-CD1 4.01Å; L692-Y711 HydrophobicContact CD2-CE1 4.08Å; L692-V714 HydrophobicContact CD2-CG1 4.02Å; L692-V714 HydrophobicContact CD2-CG2 4.27Å; L692-V714 HydrophobicContact CG-CG1 4.49Å; L692-M745 HydrophobicContact CD1-CB 3.94Å; L692-M746 HydrophobicContact CD1-CG 3.99Å; L692-M746 HydrophobicContact CD2-CG 4.29Å; L692-S749 WeakPolarHBondContact CB-OG 3.33Å; L692-P755 HydrophobicContact CB-CG 4.2Å
693	N	89.7	Confident	89.3	Confident	43 Å²	43	50.6 Å²	50.6	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-41.2	172.5	-81.3	-30.4	0	0	0	111.7	S689 N690 G695 V696 E697 P755	S689-N693 WeakPolarHBondContact O-CB 3.44Å; S689-N693 VanDerWaalsContact O-CG 3.31Å; S689-N693 PolarHBondContact O-N 2.94Å; S689-N693 PolarHBondContact O-ND2 3.44Å; N690-N693 PolarHBondContact O-N 2.78Å; N693-G695 VanDerWaalsContact C-N 3.26Å; N693-G695 PolarHBondContact O-N 3.07Å; N693-V696 PolarHBondContact O-N 3Å; N693-V696 VanDerWaalsContact O-N 3.13Å; N693-E697 WeakPolarHBondContact O-CB 3.35Å; N693-E697 WeakPolarHBondContact O-CG 3.47Å; N693-E697 PolarHBondContact O-N 3.32Å; N693-P755 WeakPolarHBondContact OD1-CD 3.35Å; N693-P755 VanDerWaalsContact OD1-CG 3.31Å; N693-P755 WeakPolarHBondContact OD1-CG 3.36Å
694	Q	88.7	Confident	88.9	Confident	107 Å²	107	53.6 Å²	53.6	50%	0.5	27%	0.265	S	S	.	.	H	α-helix	trans	-60.3	-37.2	175.4	-62.3	166.1	18.1	0	0	112.1	N690 W691 L692 A698	N690-Q694 WeakPolarHBondContact O-CG 3.48Å; N690-Q694 PolarHBondContact O-N 3.41Å; W691-Q694 WeakPolarHBondContact O-CB 3.5Å; W691-Q694 PolarHBondContact O-N 3.32Å; L692-Q694 VanDerWaalsContact C-N 3.28Å; L692-Q694 PolarHBondContact O-N 2.96Å; Q694-A698 WeakPolarHBondContact O-CB 3.42Å; Q694-A698 PolarHBondContact O-N 3.49Å
695	G	88.3	Confident	88.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-41.2	174.2	0	0	0	0	0	113	W691 L692 N693 R699 A707	W691-G695 PolarHBondContact O-N 3.35Å; L692-G695 WeakPolarHBondContact O-CA 3.42Å; L692-G695 PolarHBondContact O-N 2.86Å; L692-G695 VanDerWaalsContact O-N 3.07Å; N693-G695 VanDerWaalsContact C-N 3.26Å; N693-G695 PolarHBondContact O-N 3.07Å; G695-R699 PolarHBondContact O-N 2.84Å; G695-A707 WeakPolarHBondContact O-CB 3.34Å
696	V	89.1	Confident	88.5	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-44.7	175.8	175.2	0	0	0	0	110.9	L692 N693 R699 Q700	L692-V696 PolarHBondContact O-N 2.77Å; N693-V696 PolarHBondContact O-N 3Å; N693-V696 VanDerWaalsContact O-N 3.13Å; V696-R699 WeakPolarHBondContact O-CB 3.38Å; V696-R699 PolarHBondContact O-N 3.46Å; V696-Q700 WeakPolarHBondContact O-CG 3.38Å; V696-Q700 PolarHBondContact O-N 2.7Å
697	E	89.6	Confident	88.3	Confident	114 Å²	114	56.7 Å²	56.7	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-62.6	-43.6	176.4	-73.3	175.9	-177.4	0	0	112.1	N693 R699 Q700 R701	N693-E697 WeakPolarHBondContact O-CB 3.35Å; N693-E697 WeakPolarHBondContact O-CG 3.47Å; N693-E697 PolarHBondContact O-N 3.32Å; E697-R699 VanDerWaalsContact C-N 3.27Å; E697-R699 PolarHBondContact O-N 3.4Å; E697-Q700 PolarHBondContact O-N 2.66Å; E697-R701 WeakPolarHBondContact O-CG 3.31Å; E697-R701 PolarHBondContact O-N 3.12Å
698	A	87.4	Confident	88.1	Confident	4 Å²	4	56.7 Å²	56.7	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-59.3	-40.2	174.5	0	0	0	0	0	111.8	Q694 R701 G702 D703 A706 A707	Q694-A698 WeakPolarHBondContact O-CB 3.42Å; Q694-A698 PolarHBondContact O-N 3.49Å; A698-R701 PolarHBondContact O-N 2.92Å; A698-G702 PolarHBondContact O-N 3.12Å; A698-D703 PolarHBondContact O-N 3.16Å; A698-A706 HydrophobicContact CB-CB 4.36Å; A698-A707 HydrophobicContact CB-CB 4.26Å
699	R	87.2	Confident	88.1	Confident	93 Å²	93	62.5 Å²	62.5	35%	0.351	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-41.8	175.8	-166.7	-178.9	-162.2	170.4	7.5	112.5	G695 V696 E697 R701 G702 A707 M750	G695-R699 PolarHBondContact O-N 2.84Å; V696-R699 WeakPolarHBondContact O-CB 3.38Å; V696-R699 PolarHBondContact O-N 3.46Å; E697-R699 VanDerWaalsContact C-N 3.27Å; E697-R699 PolarHBondContact O-N 3.4Å; R699-R701 VanDerWaalsContact C-N 3.27Å; R699-R701 PolarHBondContact O-N 2.99Å; R699-G702 PolarHBondContact O-N 2.86Å; R699-A707 HydrophobicContact CB-CB 4.12Å; R699-M750 PolarHBondContact NH1-O 3.48Å
700	Q	86.8	Confident	88	Confident	145 Å²	145	63.3 Å²	63.3	68%	0.678	33%	0.332	S	S	*	.	H	α-helix	trans	-65.6	-30.6	177.5	-72.6	177.4	4.8	0	0	112.3	V696 E697 G702	V696-Q700 WeakPolarHBondContact O-CG 3.38Å; V696-Q700 PolarHBondContact O-N 2.7Å; E697-Q700 PolarHBondContact O-N 2.66Å; Q700-G702 PolarHBondContact O-N 2.78Å
701	R	88.5	Confident	87.9	Confident	163 Å²	163	60.9 Å²	60.9	62%	0.615	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.3	171.6	-70.2	-174.8	-69.7	105.8	-2.7	114.1	E697 A698 R699 D703	E697-R701 WeakPolarHBondContact O-CG 3.31Å; E697-R701 PolarHBondContact O-N 3.12Å; A698-R701 PolarHBondContact O-N 2.92Å; R699-R701 VanDerWaalsContact C-N 3.27Å; R699-R701 PolarHBondContact O-N 2.99Å; R701-D703 IonicContact CZ-OD2 3.77Å; R701-D703 IonicContact NH1-OD2 2.73Å; R701-D703 PolarHBondContact NH1-OD2 3.22Å
702	G	85.4	Confident	88	Confident	44 Å²	44	65.3 Å²	65.3	45%	0.454	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-2	-177.2	0	0	0	0	0	115.1	A698 R699 Q700 H704	A698-G702 PolarHBondContact O-N 3.12Å; R699-G702 PolarHBondContact O-N 2.86Å; Q700-G702 PolarHBondContact O-N 2.78Å; G702-H704 PolarHBondContact O-N 3.13Å
703	D	87.5	Confident	88	Confident	78 Å²	78	69.7 Å²	69.7	42%	0.417	36%	0.359	S	S	.	.			trans	-84.1	71.6	-177.6	-67	-31	0	0	0	112	A698 R701 A705 A706 A707	A698-D703 PolarHBondContact O-N 3.16Å; R701-D703 IonicContact CZ-OD2 3.77Å; R701-D703 IonicContact NH1-OD2 2.73Å; R701-D703 PolarHBondContact NH1-OD2 3.22Å; D703-A705 VanDerWaalsContact C-N 3.27Å; D703-A705 PolarHBondContact O-N 3.35Å; D703-A706 HydrophobicContact CB-CB 4.11Å; D703-A706 PolarHBondContact O-N 3.21Å; D703-A707 PolarHBondContact O-N 2.81Å; D703-A707 VanDerWaalsContact O-N 3.14Å
704	H	83.5	Confident	88	Confident	123 Å²	123	67.7 Å²	67.7	57%	0.569	35%	0.348	S	S	*	.	H	α-helix	trans	-61.2	-31.4	-178	-66.1	-53.6	0	0	0	114.3	G702 G708	G702-H704 PolarHBondContact O-N 3.13Å; H704-G708 PolarHBondContact O-N 3.29Å
705	A	87.6	Confident	88.1	Confident	78 Å²	78	64.1 Å²	64.1	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-66.8	-44.6	178.1	0	0	0	0	0	112.1	D703 G708 Q709	D703-A705 VanDerWaalsContact C-N 3.27Å; D703-A705 PolarHBondContact O-N 3.35Å; A705-G708 PolarHBondContact O-N 3.41Å; A705-Q709 WeakPolarHBondContact O-CG 3.4Å; A705-Q709 PolarHBondContact O-N 2.83Å
706	A	87.3	Confident	88.1	Confident	39 Å²	39	72.6 Å²	72.6	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-43.1	177.4	0	0	0	0	0	111.3	A698 D703 G708 Q709 V710	A698-A706 HydrophobicContact CB-CB 4.36Å; D703-A706 HydrophobicContact CB-CB 4.11Å; D703-A706 PolarHBondContact O-N 3.21Å; A706-G708 VanDerWaalsContact C-N 3.32Å; A706-G708 PolarHBondContact O-N 2.91Å; A706-Q709 PolarHBondContact O-N 2.88Å; A706-V710 WeakPolarHBondContact O-CG2 3.47Å; A706-V710 PolarHBondContact O-N 3.32Å; A706-V710 VanDerWaalsContact O-N 3.09Å
707	A	86.3	Confident	88.1	Confident	3 Å²	3	73.5 Å²	73.5	3%	0.025	38%	0.375	C	S	.	.	H	α-helix	trans	-59.1	-43.7	173.8	0	0	0	0	0	111.8	G695 A698 R699 D703 Q709 V710 Y711	G695-A707 WeakPolarHBondContact O-CB 3.34Å; A698-A707 HydrophobicContact CB-CB 4.26Å; R699-A707 HydrophobicContact CB-CB 4.12Å; D703-A707 PolarHBondContact O-N 2.81Å; D703-A707 VanDerWaalsContact O-N 3.14Å; A707-Q709 PolarHBondContact O-N 3.21Å; A707-V710 PolarHBondContact O-N 3.06Å; A707-Y711 HydrophobicContact CB-CE2 4.08Å; A707-Y711 WeakPolarHBondContact O-CD2 3.48Å; A707-Y711 WeakPolarHBondContact O-CE2 3.21Å; A707-Y711 PolarHBondContact O-N 3.3Å; A707-Y711 VanDerWaalsContact O-N 3.09Å
708	G	88	Confident	88.2	Confident	27 Å²	27	69.3 Å²	69.3	28%	0.278	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-40.9	176.3	0	0	0	0	0	113.7	H704 A705 A706 Y711 Q712	H704-G708 PolarHBondContact O-N 3.29Å; A705-G708 PolarHBondContact O-N 3.41Å; A706-G708 VanDerWaalsContact C-N 3.32Å; A706-G708 PolarHBondContact O-N 2.91Å; G708-Y711 PolarHBondContact O-N 3.05Å; G708-Q712 WeakPolarHBondContact O-CG 3.14Å; G708-Q712 PolarHBondContact O-N 3.06Å; G708-Q712 VanDerWaalsContact O-N 3.13Å
709	Q	89.3	Confident	88.4	Confident	121 Å²	121	71.9 Å²	71.9	57%	0.565	38%	0.376	S	S	*	.	H	α-helix	trans	-63.5	-47.2	175.5	-72.2	175.2	-4.3	0	0	111.6	A705 A706 A707 Y711 Q712 E713	A705-Q709 WeakPolarHBondContact O-CG 3.4Å; A705-Q709 PolarHBondContact O-N 2.83Å; A706-Q709 PolarHBondContact O-N 2.88Å; A707-Q709 PolarHBondContact O-N 3.21Å; Q709-Y711 VanDerWaalsContact C-N 3.31Å; Q709-Y711 PolarHBondContact O-N 2.99Å; Q709-Q712 PolarHBondContact O-N 3.29Å; Q709-Q712 VanDerWaalsContact O-N 3.14Å; Q709-E713 WeakPolarHBondContact O-CG 3.34Å; Q709-E713 PolarHBondContact O-N 3.33Å
710	V	87.6	Confident	88.5	Confident	22 Å²	22	69.3 Å²	69.3	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-56	-45.3	176.9	172.8	0	0	0	0	111.1	A706 A707 Q712 E713 V714	A706-V710 WeakPolarHBondContact O-CG2 3.47Å; A706-V710 PolarHBondContact O-N 3.32Å; A706-V710 VanDerWaalsContact O-N 3.09Å; A707-V710 PolarHBondContact O-N 3.06Å; V710-Q712 PolarHBondContact O-N 2.89Å; V710-E713 PolarHBondContact O-N 2.9Å; V710-V714 HydrophobicContact CG1-CG2 4.23Å; V710-V714 WeakPolarHBondContact O-CB 3.32Å; V710-V714 WeakPolarHBondContact O-CG2 3.33Å; V710-V714 PolarHBondContact O-N 2.9Å
711	Y	89.6	Confident	88.5	Confident	39 Å²	39	63 Å²	63	15%	0.153	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-36.1	179	-60.1	-48.2	0	0	0	113.5	L692 A707 G708 Q709 G715 S749 M750	L692-Y711 HydrophobicContact CD2-CD1 4.01Å; L692-Y711 HydrophobicContact CD2-CE1 4.08Å; A707-Y711 HydrophobicContact CB-CE2 4.08Å; A707-Y711 WeakPolarHBondContact O-CD2 3.48Å; A707-Y711 WeakPolarHBondContact O-CE2 3.21Å; A707-Y711 PolarHBondContact O-N 3.3Å; A707-Y711 VanDerWaalsContact O-N 3.09Å; G708-Y711 PolarHBondContact O-N 3.05Å; Q709-Y711 VanDerWaalsContact C-N 3.31Å; Q709-Y711 PolarHBondContact O-N 2.99Å; Y711-G715 PolarHBondContact O-N 2.79Å; Y711-S749 PolarHBondContact OH-O 3.13Å; Y711-M750 HydrophobicContact CD1-CG 4.18Å; Y711-M750 HydrophobicContact CD2-CG 4.4Å; Y711-M750 HydrophobicContact CE1-CG 4.39Å; Y711-M750 HydrophobicContact CG-CG 4.21Å
712	Q	90.6	Very high	88.6	Confident	122 Å²	122	60.1 Å²	60.1	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-66.7	-42.4	175.3	-72	-179.2	21.7	0	0	111.7	G708 Q709 V710 G715 R716	G708-Q712 WeakPolarHBondContact O-CG 3.14Å; G708-Q712 PolarHBondContact O-N 3.06Å; G708-Q712 VanDerWaalsContact O-N 3.13Å; Q709-Q712 PolarHBondContact O-N 3.29Å; Q709-Q712 VanDerWaalsContact O-N 3.14Å; V710-Q712 PolarHBondContact O-N 2.89Å; Q712-G715 PolarHBondContact O-N 3.41Å; Q712-R716 WeakPolarHBondContact O-CG 3.48Å; Q712-R716 PolarHBondContact O-N 3.44Å
713	E	90.7	Very high	88.8	Confident	94 Å²	94	61 Å²	61	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-45.9	177.1	-69.8	176.5	-178.4	0	0	111.6	W691 Q709 V710 G715 R716 W717	W691-E713 HydrophobicContact CH2-CB 3.89Å; W691-E713 HydrophobicContact CZ2-CB 3.59Å; Q709-E713 WeakPolarHBondContact O-CG 3.34Å; Q709-E713 PolarHBondContact O-N 3.33Å; V710-E713 PolarHBondContact O-N 2.9Å; E713-G715 VanDerWaalsContact C-N 3.3Å; E713-G715 PolarHBondContact O-N 2.94Å; E713-R716 PolarHBondContact O-N 3.2Å; E713-W717 WeakPolarHBondContact O-CB 3.36Å; E713-W717 PolarHBondContact O-N 2.97Å
714	V	89.7	Confident	88.8	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.006	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-42.1	174	171.1	0	0	0	0	111	L688 W691 L692 V710 W717 Y718 M746	L688-V714 HydrophobicContact CD1-CG1 3.39Å; W691-V714 HydrophobicContact CD2-CG2 3.46Å; W691-V714 VanDerWaalsContact CD2-CG2 3.46Å; W691-V714 HydrophobicContact CE3-CG2 3.56Å; W691-V714 HydrophobicContact CG-CG2 3.91Å; W691-V714 HydrophobicContact CH2-CG2 4.27Å; W691-V714 HydrophobicContact CZ2-CG2 4.21Å; W691-V714 HydrophobicContact CZ3-CG2 3.96Å; L692-V714 HydrophobicContact CD2-CG1 4.02Å; L692-V714 HydrophobicContact CD2-CG2 4.27Å; L692-V714 HydrophobicContact CG-CG1 4.49Å; V710-V714 HydrophobicContact CG1-CG2 4.23Å; V710-V714 WeakPolarHBondContact O-CB 3.32Å; V710-V714 WeakPolarHBondContact O-CG2 3.33Å; V710-V714 PolarHBondContact O-N 2.9Å; V714-W717 PolarHBondContact O-N 3.21Å; V714-Y718 WeakPolarHBondContact O-CB 3.17Å; V714-Y718 PolarHBondContact O-N 3.48Å; V714-M746 HydrophobicContact CG1-CG 4.1Å; V714-M746 HydrophobicContact CG1-SD 3.76Å
715	G	89.4	Confident	89.1	Confident	32 Å²	32	56.4 Å²	56.4	33%	0.33	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-43.7	176.8	0	0	0	0	0	112.9	Y711 Q712 E713 A719	Y711-G715 PolarHBondContact O-N 2.79Å; Q712-G715 PolarHBondContact O-N 3.41Å; E713-G715 VanDerWaalsContact C-N 3.3Å; E713-G715 PolarHBondContact O-N 2.94Å; G715-A719 WeakPolarHBondContact O-CB 3.31Å; G715-A719 PolarHBondContact O-N 3.48Å
716	R	89.8	Confident	89.1	Confident	178 Å²	178	54.3 Å²	54.3	67%	0.672	31%	0.306	S	S	*	.	H	α-helix	trans	-64.7	-40.9	174.2	-70.8	175.4	-172.2	169.3	4.9	111.8	Q712 E713 A719 G720	Q712-R716 WeakPolarHBondContact O-CG 3.48Å; Q712-R716 PolarHBondContact O-N 3.44Å; E713-R716 PolarHBondContact O-N 3.2Å; R716-A719 PolarHBondContact O-N 3.08Å; R716-G720 PolarHBondContact O-N 3.42Å
717	W	89.5	Confident	89.1	Confident	24 Å²	24	57.6 Å²	57.6	9%	0.091	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-47.1	177.4	-176.6	75.4	0	0	0	111.7	W684 V687 L688 W691 E713 V714 A719 G720 W721	W684-W717 AromaticContact CD1-CH2 3.31Å; W684-W717 AromaticContact CD1-CZ2 3.58Å; W684-W717 HydrophobicContact CD2-CH2 4.28Å; W684-W717 AromaticContact CE2-CH2 3.78Å; W684-W717 AromaticContact CE2-CZ3 3.77Å; W684-W717 HydrophobicContact CG-CH2 4.02Å; W684-W717 HydrophobicContact CZ2-CZ3 4.12Å; W684-W717 AromaticContact NE1-CH2 3.12Å; W684-W717 AromaticContact NE1-CZ2 3.48Å; W684-W717 AromaticContact NE1-CZ3 3.49Å; V687-W717 HydrophobicContact CB-CH2 4.49Å; V687-W717 HydrophobicContact CG1-CH2 4.17Å; V687-W717 HydrophobicContact CG1-CZ2 4.22Å; L688-W717 HydrophobicContact CB-CH2 4.45Å; L688-W717 HydrophobicContact CB-CZ3 3.96Å; L688-W717 HydrophobicContact CD1-CE3 4.35Å; L688-W717 HydrophobicContact CD1-CZ3 3.97Å; L688-W717 HydrophobicContact CG-CZ3 4.46Å; W691-W717 HydrophobicContact CE3-CD2 4.37Å; W691-W717 HydrophobicContact CE3-CE3 4.33Å; W691-W717 HydrophobicContact CH2-CB 4.12Å; W691-W717 HydrophobicContact CH2-CG 4.38Å; W691-W717 HydrophobicContact CZ3-CB 3.71Å; W691-W717 AromaticContact CZ3-CD2 3.8Å; W691-W717 HydrophobicContact CZ3-CD2 3.8Å; W691-W717 HydrophobicContact CZ3-CE3 4.11Å; W691-W717 AromaticContact CZ3-CG 3.66Å; W691-W717 HydrophobicContact CZ3-CG 3.66Å; E713-W717 WeakPolarHBondContact O-CB 3.36Å; E713-W717 PolarHBondContact O-N 2.97Å; V714-W717 PolarHBondContact O-N 3.21Å; W717-A719 PolarHBondContact O-N 2.97Å; W717-G720 PolarHBondContact O-N 3.11Å; W717-W721 AromaticContact CD1-CD1 3.86Å; W717-W721 AromaticContact CD1-NE1 3.6Å; W717-W721 AromaticContact CD2-CD1 3.71Å; W717-W721 AromaticContact CD2-NE1 3.89Å; W717-W721 AromaticContact CE2-CD1 3.5Å; W717-W721 AromaticContact CE2-NE1 3.2Å; W717-W721 AromaticContact CG-CD1 3.96Å; W717-W721 AromaticContact CZ2-CD1 3.98Å; W717-W721 AromaticContact CZ2-NE1 3.6Å; W717-W721 AromaticContact NE1-CD1 3.61Å; W717-W721 AromaticContact NE1-NE1 3.01Å; W717-W721 PolarHBondContact O-N 3.31Å
718	Y	91	Very high	89.2	Confident	25 Å²	25	63.3 Å²	63.3	10%	0.098	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-46.8	173.6	174.1	-94.5	0	0	0	111.9	W684 V714 G720 W721 K722 L739 A742 L743 M746	W684-Y718 AromaticContact CH2-CD2 3.73Å; W684-Y718 HydrophobicContact CH2-CD2 3.73Å; W684-Y718 HydrophobicContact CH2-CE2 4Å; W684-Y718 HydrophobicContact CZ2-CD2 4.02Å; V714-Y718 WeakPolarHBondContact O-CB 3.17Å; V714-Y718 PolarHBondContact O-N 3.48Å; Y718-G720 VanDerWaalsContact C-N 3.32Å; Y718-G720 PolarHBondContact O-N 2.99Å; Y718-W721 PolarHBondContact O-N 3.14Å; Y718-K722 HydrophobicContact CE1-CD 4.29Å; Y718-K722 WeakPolarHBondContact O-CB 3.3Å; Y718-K722 PolarHBondContact O-N 2.92Å; Y718-L739 HydrophobicContact CE2-CD2 3.67Å; Y718-A742 HydrophobicContact CD2-CB 4.21Å; Y718-A742 HydrophobicContact CE2-CB 4Å; Y718-L743 HydrophobicContact CE1-CD2 4.03Å; Y718-L743 HydrophobicContact CE2-CG 4.46Å; Y718-M746 HydrophobicContact CD1-CE 4.18Å; Y718-M746 HydrophobicContact CD2-CE 3.84Å; Y718-M746 HydrophobicContact CE2-CE 4.21Å; Y718-M746 HydrophobicContact CG-CE 3.83Å
719	A	90.6	Very high	89.2	Confident	58 Å²	58	62.1 Å²	62.1	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-40.2	177.8	0	0	0	0	0	112	G715 R716 W717 K722 G723	G715-A719 WeakPolarHBondContact O-CB 3.31Å; G715-A719 PolarHBondContact O-N 3.48Å; R716-A719 PolarHBondContact O-N 3.08Å; W717-A719 PolarHBondContact O-N 2.97Å; A719-K722 PolarHBondContact O-N 2.94Å; A719-G723 PolarHBondContact O-N 3.5Å
720	G	89.3	Confident	89.1	Confident	40 Å²	40	58.8 Å²	58.8	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-51.7	174.2	0	0	0	0	0	112.1	R716 W717 Y718 K722 G723 Q724	R716-G720 PolarHBondContact O-N 3.42Å; W717-G720 PolarHBondContact O-N 3.11Å; Y718-G720 VanDerWaalsContact C-N 3.32Å; Y718-G720 PolarHBondContact O-N 2.99Å; G720-K722 PolarHBondContact O-N 3.12Å; G720-G723 PolarHBondContact O-N 3.41Å; G720-G723 VanDerWaalsContact O-N 3.13Å; G720-Q724 WeakPolarHBondContact O-CG 3.46Å; G720-Q724 PolarHBondContact O-N 3.06Å
721	W	88.4	Confident	89.2	Confident	11 Å²	11	65 Å²	65	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-40.5	178.2	-79.5	106.5	0	0	0	113.1	F645 L647 M654 W657 F680 W684 W717 Y718 G723 Q724	F645-W721 AromaticContact CE1-CH2 3.61Å; F645-W721 HydrophobicContact CE1-CH2 3.61Å; F645-W721 HydrophobicContact CE1-CZ2 4.23Å; F645-W721 AromaticContact CZ-CH2 3.8Å; F645-W721 HydrophobicContact CZ-CH2 3.8Å; F645-W721 HydrophobicContact CZ-CZ2 4.19Å; L647-W721 HydrophobicContact CD2-CH2 4.33Å; L647-W721 HydrophobicContact CD2-CZ2 4.02Å; M654-W721 HydrophobicContact CE-CH2 3.82Å; M654-W721 HydrophobicContact CE-CZ2 4.43Å; M654-W721 HydrophobicContact CE-CZ3 4.13Å; M654-W721 HydrophobicContact SD-CH2 4Å; M654-W721 HydrophobicContact SD-CZ2 4.24Å; W657-W721 HydrophobicContact CD2-CH2 4.34Å; W657-W721 AromaticContact CD2-CZ3 3.66Å; W657-W721 HydrophobicContact CD2-CZ3 3.66Å; W657-W721 AromaticContact CE2-CZ3 3.83Å; W657-W721 HydrophobicContact CE3-CH2 4.28Å; W657-W721 AromaticContact CE3-CZ3 3.62Å; W657-W721 HydrophobicContact CE3-CZ3 3.62Å; W657-W721 HydrophobicContact CG-CZ3 4.28Å; W657-W721 HydrophobicContact CH2-CE3 4.13Å; W657-W721 AromaticContact CH2-CZ3 3.88Å; W657-W721 HydrophobicContact CH2-CZ3 3.88Å; W657-W721 HydrophobicContact CZ2-CE3 4.2Å; W657-W721 AromaticContact CZ2-CZ3 3.93Å; W657-W721 HydrophobicContact CZ2-CZ3 3.93Å; W657-W721 HydrophobicContact CZ3-CE3 4.34Å; W657-W721 AromaticContact CZ3-CZ3 3.73Å; W657-W721 HydrophobicContact CZ3-CZ3 3.73Å; F680-W721 HydrophobicContact CE1-CE3 4.44Å; F680-W721 HydrophobicContact CE2-CE3 4.28Å; F680-W721 AromaticContact CE2-CH2 3.96Å; F680-W721 HydrophobicContact CE2-CH2 3.96Å; F680-W721 AromaticContact CE2-CZ3 3.8Å; F680-W721 HydrophobicContact CE2-CZ3 3.8Å; F680-W721 HydrophobicContact CZ-CD2 4.06Å; F680-W721 AromaticContact CZ-CE3 3.57Å; F680-W721 HydrophobicContact CZ-CE3 3.57Å; F680-W721 HydrophobicContact CZ-CH2 4.04Å; F680-W721 HydrophobicContact CZ-CZ2 4.45Å; F680-W721 AromaticContact CZ-CZ3 3.56Å; F680-W721 HydrophobicContact CZ-CZ3 3.56Å; W684-W721 HydrophobicContact CZ2-CB 4.25Å; W684-W721 AromaticContact NE1-CD1 3.28Å; W684-W721 VanDerWaalsContact NE1-CD1 3.28Å; W684-W721 AromaticContact NE1-CD2 3.95Å; W684-W721 AromaticContact NE1-CG 3.44Å; W684-W721 AromaticContact NE1-NE1 3.71Å; W717-W721 AromaticContact CD1-CD1 3.86Å; W717-W721 AromaticContact CD1-NE1 3.6Å; W717-W721 AromaticContact CD2-CD1 3.71Å; W717-W721 AromaticContact CD2-NE1 3.89Å; W717-W721 AromaticContact CE2-CD1 3.5Å; W717-W721 AromaticContact CE2-NE1 3.2Å; W717-W721 AromaticContact CG-CD1 3.96Å; W717-W721 AromaticContact CZ2-CD1 3.98Å; W717-W721 AromaticContact CZ2-NE1 3.6Å; W717-W721 AromaticContact NE1-CD1 3.61Å; W717-W721 AromaticContact NE1-NE1 3.01Å; W717-W721 PolarHBondContact O-N 3.31Å; Y718-W721 PolarHBondContact O-N 3.14Å; W721-G723 PolarHBondContact O-N 2.84Å; W721-Q724 PolarHBondContact O-N 3.11Å
722	K	88.5	Confident	89.3	Confident	103 Å²	103	66.9 Å²	66.9	45%	0.448	36%	0.358	S	S	.	.	H	α-helix	trans	-61.3	-35.6	174.8	-172.8	-178.6	176.5	-172.6	0	111.8	Y718 A719 G720 Q724 M730	Y718-K722 HydrophobicContact CE1-CD 4.29Å; Y718-K722 WeakPolarHBondContact O-CB 3.3Å; Y718-K722 PolarHBondContact O-N 2.92Å; A719-K722 PolarHBondContact O-N 2.94Å; G720-K722 PolarHBondContact O-N 3.12Å; K722-Q724 VanDerWaalsContact C-N 3.35Å; K722-M730 HydrophobicContact CG-CE 4.41Å
723	G	89.7	Confident	89.4	Confident	63 Å²	63	64.1 Å²	64.1	65%	0.649	36%	0.356	S	S	*	.	H	α-helix	trans	-74.7	-18.3	176.9	0	0	0	0	0	114.9	A719 G720 W721	A719-G723 PolarHBondContact O-N 3.5Å; G720-G723 PolarHBondContact O-N 3.41Å; G720-G723 VanDerWaalsContact O-N 3.13Å; W721-G723 PolarHBondContact O-N 2.84Å
724	Q	89.1	Confident	89.3	Confident	90 Å²	90	60.8 Å²	60.8	42%	0.421	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.8	179.3	-70.2	-65.7	-29.8	0	0	113.6	M654 W657 G720 W721 K722	M654-Q724 HydrophobicContact CE-CG 4.4Å; W657-Q724 HydrophobicContact CZ2-CB 3.91Å; G720-Q724 WeakPolarHBondContact O-CG 3.46Å; G720-Q724 PolarHBondContact O-N 3.06Å; W721-Q724 PolarHBondContact O-N 3.11Å; K722-Q724 VanDerWaalsContact C-N 3.35Å
725	L	88.8	Confident	89.4	Confident	14 Å²	14	60.8 Å²	60.8	7%	0.073	34%	0.343	C	S	.	.	S	Bend	trans	-82.9	133.2	-179.2	-66.1	168	0	0	0	110.5	W657 L676 W681 M730 V735	W657-L725 HydrophobicContact CH2-CD2 3.98Å; W657-L725 HydrophobicContact CZ2-CD2 4.25Å; L676-L725 HydrophobicContact CD1-CD2 3.88Å; W681-L725 HydrophobicContact CH2-CD1 3.97Å; W681-L725 HydrophobicContact CH2-CD2 4.28Å; W681-L725 HydrophobicContact CZ2-CD1 4.26Å; W681-L725 HydrophobicContact CZ2-CD2 4.21Å; L725-M730 HydrophobicContact CB-SD 4.2Å; L725-M730 HydrophobicContact CD1-SD 3.81Å; L725-V735 HydrophobicContact CD1-CG1 3.95Å
726	P	88.6	Confident	89.5	Confident	34 Å²	34	64.2 Å²	64.2	22%	0.221	35%	0.349	C	S	.	.			trans	-56.7	142.6	170	-24	33.6	0	0	0	111.1	M661 L672 E728 C729	M661-P726 HydrophobicContact SD-CG 4.19Å; L672-P726 HydrophobicContact CD2-CG 4.16Å; P726-E728 PolarHBondContact O-N 2.72Å; P726-C729 WeakPolarHBondContact O-CB 3.35Å; P726-C729 PolarHBondContact O-N 3.34Å
727	P	85.9	Confident	89.6	Confident	109 Å²	109	59.8 Å²	59.8	71%	0.708	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-60	-34.5	-176.3	24	-33.7	0	0	0	112.4	C729 M730	P727-C729 PolarHBondContact O-N 2.98Å; P727-M730 WeakPolarHBondContact O-CB 3.43Å; P727-M730 PolarHBondContact O-N 3.23Å; P727-M730 VanDerWaalsContact O-N 3.1Å
728	E	88.2	Confident	89.7	Confident	122 Å²	122	58.9 Å²	58.9	57%	0.57	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-60.3	-30.3	177	-59.7	177.2	-173.1	0	0	112.9	P669 P726 M730 Y732	P669-E728 HydrophobicContact CB-CB 4.17Å; P726-E728 PolarHBondContact O-N 2.72Å; E728-M730 VanDerWaalsContact C-N 3.33Å; E728-Y732 WeakPolarHBondContact O-CD2 3.38Å; E728-Y732 VanDerWaalsContact O-CE2 3.31Å; E728-Y732 WeakPolarHBondContact O-CE2 3.44Å
729	C	88.4	Confident	89.7	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.014	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-77.2	-21.4	179.6	-64.8	0	0	0	0	112.5	V673 P726 P727 E731 Y732 V735	V673-C729 HydrophobicContact CG2-CB 3.89Å; P726-C729 WeakPolarHBondContact O-CB 3.35Å; P726-C729 PolarHBondContact O-N 3.34Å; P727-C729 PolarHBondContact O-N 2.98Å; C729-E731 PolarHBondContact O-N 3.45Å; C729-Y732 PolarHBondContact O-N 3.07Å; C729-V735 WeakPolarHBondContact O-CG2 3.46Å
730	M	88.2	Confident	89.8	Confident	52 Å²	52	59.1 Å²	59.1	26%	0.256	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-69.8	-19.5	-177.3	-68.3	-64.7	-62.7	0	0	112.9	K722 L725 P727 E728 Y732 V735 K736 L739	K722-M730 HydrophobicContact CG-CE 4.41Å; L725-M730 HydrophobicContact CB-SD 4.2Å; L725-M730 HydrophobicContact CD1-SD 3.81Å; P727-M730 WeakPolarHBondContact O-CB 3.43Å; P727-M730 PolarHBondContact O-N 3.23Å; P727-M730 VanDerWaalsContact O-N 3.1Å; E728-M730 VanDerWaalsContact C-N 3.33Å; M730-Y732 VanDerWaalsContact C-N 3.32Å; M730-V735 HydrophobicContact SD-CG1 4.13Å; M730-K736 WeakPolarHBondContact O-CE 3.48Å; M730-L739 HydrophobicContact CE-CD1 3.63Å; M730-L739 HydrophobicContact SD-CD1 4.08Å
731	E	89.2	Confident	89.9	Confident	152 Å²	152	63.1 Å²	63.1	71%	0.71	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-74.4	-25	179.3	-63	-171	166.9	0	0	112.8	C729 K736	C729-E731 PolarHBondContact O-N 3.45Å; E731-K736 WeakPolarHBondContact O-CE 3.5Å; E731-K736 PolarHBondContact O-NZ 2.86Å
732	Y	92.3	Very high	90.1	Very high	78 Å²	78	62.6 Å²	62.6	31%	0.306	34%	0.338	S	S	.	.	S	Bend	trans	-70.9	139.5	-175.2	-70.5	-101	0	0	0	112.7	P669 A670 V673 E728 C729 M730 S734 V735 K736	P669-Y732 HydrophobicContact CB-CE2 3.97Å; A670-Y732 HydrophobicContact CB-CE1 4.17Å; A670-Y732 PolarHBondContact N-OH 3.41Å; V673-Y732 HydrophobicContact CB-CD1 4.42Å; V673-Y732 HydrophobicContact CB-CG 4.37Å; V673-Y732 HydrophobicContact CG1-CD1 4.18Å; V673-Y732 HydrophobicContact CG1-CG 4.13Å; V673-Y732 HydrophobicContact CG2-CD1 4.3Å; V673-Y732 HydrophobicContact CG2-CD2 3.84Å; V673-Y732 HydrophobicContact CG2-CE2 4.31Å; V673-Y732 HydrophobicContact CG2-CG 3.84Å; E728-Y732 WeakPolarHBondContact O-CD2 3.38Å; E728-Y732 VanDerWaalsContact O-CE2 3.31Å; E728-Y732 WeakPolarHBondContact O-CE2 3.44Å; C729-Y732 PolarHBondContact O-N 3.07Å; M730-Y732 VanDerWaalsContact C-N 3.32Å; Y732-S734 PolarHBondContact O-N 3.09Å; Y732-V735 PolarHBondContact O-N 3.08Å; Y732-K736 PolarHBondContact O-N 3.32Å
733	A	91.7	Very high	90.2	Very high	65 Å²	65	61.7 Å²	61.7	54%	0.537	34%	0.338	S	S	.	.	H	α-helix	trans	-61.2	-42	-177.4	0	0	0	0	0	112.8	V735 K736 D737	A733-V735 VanDerWaalsContact C-N 3.32Å; A733-V735 PolarHBondContact O-N 3.44Å; A733-K736 PolarHBondContact O-N 3.27Å; A733-D737 WeakPolarHBondContact O-CB 3.05Å; A733-D737 PolarHBondContact O-N 2.99Å
734	S	89.7	Confident	90.3	Very high	24 Å²	24	61.3 Å²	61.3	17%	0.168	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-35.6	-178.5	57.7	0	0	0	0	113.1	V673 E677 Y732 A738	V673-S734 WeakPolarHBondContact CG1-OG 3.35Å; E677-S734 WeakPolarHBondContact OE2-CB 3.28Å; E677-S734 PolarHBondContact OE2-OG 2.83Å; Y732-S734 PolarHBondContact O-N 3.09Å; S734-A738 WeakPolarHBondContact O-CB 3.49Å; S734-A738 PolarHBondContact O-N 2.82Å
735	V	91.3	Very high	90.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.4	-45.5	174.3	178.6	0	0	0	0	110.7	V673 W681 L725 C729 M730 Y732 A733 D737 A738 L739	V673-V735 HydrophobicContact CG1-CG2 4.12Å; V673-V735 HydrophobicContact CG2-CG2 4.08Å; W681-V735 HydrophobicContact CZ2-CG1 4.16Å; W681-V735 HydrophobicContact CZ2-CG2 4.37Å; L725-V735 HydrophobicContact CD1-CG1 3.95Å; C729-V735 WeakPolarHBondContact O-CG2 3.46Å; M730-V735 HydrophobicContact SD-CG1 4.13Å; Y732-V735 PolarHBondContact O-N 3.08Å; A733-V735 VanDerWaalsContact C-N 3.32Å; A733-V735 PolarHBondContact O-N 3.44Å; V735-D737 VanDerWaalsContact C-N 3.31Å; V735-D737 PolarHBondContact O-N 3.49Å; V735-A738 PolarHBondContact O-N 3.23Å; V735-L739 HydrophobicContact CG1-CD1 4.1Å; V735-L739 WeakPolarHBondContact O-CG 3.22Å; V735-L739 PolarHBondContact O-N 3.39Å
736	K	90.9	Very high	90.4	Very high	105 Å²	105	58 Å²	58	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-59.4	-42	175	-72.4	170.7	173.9	158.4	0	111.5	M730 E731 Y732 A733 L739 T740	M730-K736 WeakPolarHBondContact O-CE 3.48Å; E731-K736 WeakPolarHBondContact O-CE 3.5Å; E731-K736 PolarHBondContact O-NZ 2.86Å; Y732-K736 PolarHBondContact O-N 3.32Å; A733-K736 PolarHBondContact O-N 3.27Å; K736-L739 PolarHBondContact O-N 3.32Å; K736-T740 WeakPolarHBondContact O-CB 3.43Å; K736-T740 WeakPolarHBondContact O-CG2 3.37Å; K736-T740 PolarHBondContact O-N 3.31Å; K736-T740 PolarHBondContact O-OG1 3.09Å
737	D	92.1	Very high	90.4	Very high	85 Å²	85	60.8 Å²	60.8	46%	0.455	32%	0.323	S	S	.	.	H	α-helix	trans	-66.6	-40.6	179.1	-70.8	-13.2	0	0	0	111.9	A733 V735 T740 K741	A733-D737 WeakPolarHBondContact O-CB 3.05Å; A733-D737 PolarHBondContact O-N 2.99Å; V735-D737 VanDerWaalsContact C-N 3.31Å; V735-D737 PolarHBondContact O-N 3.49Å; D737-T740 VanDerWaalsContact CA-OG1 3.28Å; D737-T740 WeakPolarHBondContact CA-OG1 3.35Å; D737-T740 PolarHBondContact O-OG1 2.77Å; D737-K741 WeakPolarHBondContact O-CB 3.36Å; D737-K741 WeakPolarHBondContact O-CG 3.42Å; D737-K741 PolarHBondContact O-N 3.17Å
738	A	91	Very high	90.5	Very high	5 Å²	5	60.1 Å²	60.1	4%	0.041	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-44.9	175.1	0	0	0	0	0	111.9	W681 S734 V735 K741 A742	W681-A738 HydrophobicContact CB-CB 4.22Å; W681-A738 HydrophobicContact CD2-CB 3.55Å; W681-A738 HydrophobicContact CE3-CB 3.78Å; W681-A738 HydrophobicContact CG-CB 3.72Å; W681-A738 HydrophobicContact CZ3-CB 4.38Å; S734-A738 WeakPolarHBondContact O-CB 3.49Å; S734-A738 PolarHBondContact O-N 2.82Å; V735-A738 PolarHBondContact O-N 3.23Å; A738-K741 PolarHBondContact O-N 3.14Å; A738-A742 PolarHBondContact O-N 2.89Å
739	L	92.4	Very high	90.5	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-38.8	178.9	-67.9	176.2	0	0	0	112.5	W684 Y718 M730 V735 K736 A742 L743	W684-L739 HydrophobicContact CH2-CD2 4.27Å; Y718-L739 HydrophobicContact CE2-CD2 3.67Å; M730-L739 HydrophobicContact CE-CD1 3.63Å; M730-L739 HydrophobicContact SD-CD1 4.08Å; V735-L739 HydrophobicContact CG1-CD1 4.1Å; V735-L739 WeakPolarHBondContact O-CG 3.22Å; V735-L739 PolarHBondContact O-N 3.39Å; K736-L739 PolarHBondContact O-N 3.32Å; L739-A742 PolarHBondContact O-N 3.48Å; L739-L743 WeakPolarHBondContact O-CG 3.24Å; L739-L743 PolarHBondContact O-N 3.32Å
740	T	92.1	Very high	90.3	Very high	77 Å²	77	59.1 Å²	59.1	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-40.5	175.7	52	0	0	0	0	112	K736 D737 A742 L743 A744	K736-T740 WeakPolarHBondContact O-CB 3.43Å; K736-T740 WeakPolarHBondContact O-CG2 3.37Å; K736-T740 PolarHBondContact O-N 3.31Å; K736-T740 PolarHBondContact O-OG1 3.09Å; D737-T740 VanDerWaalsContact CA-OG1 3.28Å; D737-T740 WeakPolarHBondContact CA-OG1 3.35Å; D737-T740 PolarHBondContact O-OG1 2.77Å; T740-A742 VanDerWaalsContact C-N 3.32Å; T740-A742 PolarHBondContact O-N 2.64Å; T740-L743 PolarHBondContact O-N 3.38Å; T740-A744 WeakPolarHBondContact O-CB 3.26Å; T740-A744 PolarHBondContact O-N 3.42Å
741	K	92.2	Very high	90.2	Very high	124 Å²	124	64.6 Å²	64.6	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-58	-44.7	171	-75.8	170.7	-175.9	173.7	0	111.4	L685 D737 A738 A744 M745	L685-K741 HydrophobicContact CD1-CB 4.33Å; L685-K741 HydrophobicContact CD1-CD 4.31Å; L685-K741 HydrophobicContact CD2-CB 4.36Å; D737-K741 WeakPolarHBondContact O-CB 3.36Å; D737-K741 WeakPolarHBondContact O-CG 3.42Å; D737-K741 PolarHBondContact O-N 3.17Å; A738-K741 PolarHBondContact O-N 3.14Å; K741-A744 PolarHBondContact O-N 3.06Å; K741-M745 VanDerWaalsContact O-CG 3.25Å; K741-M745 WeakPolarHBondContact O-CG 3.07Å; K741-M745 PolarHBondContact O-N 2.67Å
742	A	91.5	Very high	89.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-44.5	176.3	0	0	0	0	0	112.9	W684 L685 L688 Y718 A738 L739 T740 M745 M746	W684-A742 HydrophobicContact CH2-CB 3.54Å; W684-A742 HydrophobicContact CZ3-CB 3.53Å; L685-A742 HydrophobicContact CD2-CB 3.92Å; L688-A742 HydrophobicContact CD2-CB 3.47Å; L688-A742 VanDerWaalsContact CD2-CB 3.47Å; Y718-A742 HydrophobicContact CD2-CB 4.21Å; Y718-A742 HydrophobicContact CE2-CB 4Å; A738-A742 PolarHBondContact O-N 2.89Å; L739-A742 PolarHBondContact O-N 3.48Å; T740-A742 VanDerWaalsContact C-N 3.32Å; T740-A742 PolarHBondContact O-N 2.64Å; A742-M745 PolarHBondContact O-N 3.49Å; A742-M746 WeakPolarHBondContact O-CG 3.02Å; A742-M746 PolarHBondContact O-N 3.05Å
743	L	90.5	Very high	89.3	Confident	84 Å²	84	58.9 Å²	58.9	44%	0.44	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-44.4	175.2	-71.9	168.7	0	0	0	111.9	Y718 L739 T740 M745 M746 E747	Y718-L743 HydrophobicContact CE1-CD2 4.03Å; Y718-L743 HydrophobicContact CE2-CG 4.46Å; L739-L743 WeakPolarHBondContact O-CG 3.24Å; L739-L743 PolarHBondContact O-N 3.32Å; T740-L743 PolarHBondContact O-N 3.38Å; L743-M745 VanDerWaalsContact C-N 3.35Å; L743-M745 PolarHBondContact O-N 3.24Å; L743-M746 HydrophobicContact CD2-CE 3.7Å; L743-M746 HydrophobicContact CG-CE 4.3Å; L743-M746 PolarHBondContact O-N 3.48Å; L743-E747 PolarHBondContact O-N 3.08Å
744	A	91.4	Very high	88.8	Confident	55 Å²	55	59 Å²	59	46%	0.455	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-39.4	177.7	0	0	0	0	0	112.3	T740 K741 E747 R748	T740-A744 WeakPolarHBondContact O-CB 3.26Å; T740-A744 PolarHBondContact O-N 3.42Å; K741-A744 PolarHBondContact O-N 3.06Å; A744-E747 PolarHBondContact O-N 3.24Å; A744-R748 VanDerWaalsContact O-CB 3.32Å; A744-R748 WeakPolarHBondContact O-CB 3.28Å; A744-R748 PolarHBondContact O-N 3.02Å
745	M	90.4	Very high	88.3	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.059	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-41.8	174.7	-69.8	166.6	63.2	0	0	111.9	L685 L688 S689 L692 K741 A742 L743 S749 P755	L685-M745 HydrophobicContact CD2-SD 4.15Å; L688-M745 HydrophobicContact CB-CE 4.39Å; L688-M745 HydrophobicContact CD2-CE 4.39Å; L688-M745 HydrophobicContact CG-CE 4.23Å; S689-M745 VanDerWaalsContact CA-CE 3.42Å; L692-M745 HydrophobicContact CD1-CB 3.94Å; K741-M745 VanDerWaalsContact O-CG 3.25Å; K741-M745 WeakPolarHBondContact O-CG 3.07Å; K741-M745 PolarHBondContact O-N 2.67Å; A742-M745 PolarHBondContact O-N 3.49Å; L743-M745 VanDerWaalsContact C-N 3.35Å; L743-M745 PolarHBondContact O-N 3.24Å; M745-S749 WeakPolarHBondContact O-CB 3.45Å; M745-S749 PolarHBondContact O-N 3.15Å; M745-S749 PolarHBondContact O-OG 3.22Å; M745-P755 HydrophobicContact CB-CB 4.17Å; M745-P755 HydrophobicContact CE-CB 4.12Å; M745-P755 HydrophobicContact CG-CB 4.3Å
746	M	89.5	Confident	87.5	Confident	22 Å²	22	64.2 Å²	64.2	11%	0.108	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-46.7	175.9	-71.8	-173.6	-70.4	0	0	111.7	L688 L692 V714 Y718 A742 L743 R748 S749 M750	L688-M746 HydrophobicContact CD1-CG 4.46Å; L692-M746 HydrophobicContact CD1-CG 3.99Å; L692-M746 HydrophobicContact CD2-CG 4.29Å; V714-M746 HydrophobicContact CG1-CG 4.1Å; V714-M746 HydrophobicContact CG1-SD 3.76Å; Y718-M746 HydrophobicContact CD1-CE 4.18Å; Y718-M746 HydrophobicContact CD2-CE 3.84Å; Y718-M746 HydrophobicContact CE2-CE 4.21Å; Y718-M746 HydrophobicContact CG-CE 3.83Å; A742-M746 WeakPolarHBondContact O-CG 3.02Å; A742-M746 PolarHBondContact O-N 3.05Å; L743-M746 HydrophobicContact CD2-CE 3.7Å; L743-M746 HydrophobicContact CG-CE 4.3Å; L743-M746 PolarHBondContact O-N 3.48Å; M746-R748 VanDerWaalsContact C-N 3.35Å; M746-R748 PolarHBondContact O-N 3.29Å; M746-S749 PolarHBondContact O-N 2.7Å; M746-M750 WeakPolarHBondContact O-CB 3.43Å; M746-M750 WeakPolarHBondContact O-CG 3.32Å; M746-M750 PolarHBondContact O-N 3.28Å
747	E	89	Confident	86.3	Confident	93 Å²	93	65.8 Å²	65.8	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-44.8	177.8	-172.1	-171.9	159.4	0	0	111.8	L743 A744 M750 R751	L743-E747 PolarHBondContact O-N 3.08Å; A744-E747 PolarHBondContact O-N 3.24Å; E747-M750 PolarHBondContact O-N 3.18Å; E747-R751 PolarHBondContact O-N 2.86Å; E747-R751 IonicContact OE1-CZ 3.06Å; E747-R751 IonicContact OE1-NH1 2.85Å; E747-R751 PolarHBondContact OE1-NH1 3.4Å; E747-R751 IonicContact OE1-NH2 2.66Å; E747-R751 PolarHBondContact OE1-NH2 3.04Å
748	R	89.2	Confident	84.8	Confident	94 Å²	94	64 Å²	64	36%	0.355	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-43.8	178	-173.7	168.9	173.5	152.2	1.9	112	A744 M746 R751 G752 L753 P754	A744-R748 VanDerWaalsContact O-CB 3.32Å; A744-R748 WeakPolarHBondContact O-CB 3.28Å; A744-R748 PolarHBondContact O-N 3.02Å; M746-R748 VanDerWaalsContact C-N 3.35Å; M746-R748 PolarHBondContact O-N 3.29Å; R748-R751 WeakPolarHBondContact O-CB 3.44Å; R748-R751 PolarHBondContact O-N 3.12Å; R748-R751 VanDerWaalsContact O-N 3.12Å; R748-G752 PolarHBondContact O-N 2.89Å; R748-L753 CarbonylContact C-O 3.45Å; R748-L753 HydrophobicContact CG-CB 3.58Å; R748-L753 HydrophobicContact CG-CD1 4.37Å; R748-L753 PolarHBondContact O-N 3.42Å; R748-L753 VanDerWaalsContact O-N 3.12Å; R748-P754 WeakPolarHBondContact CD-O 3.33Å; R748-P754 PolarHBondContact NE-O 3.45Å
749	S	87.7	Confident	82.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.4	-38.4	178.7	-54.6	0	0	0	0	112.1	L692 Y711 M745 M746 R751 G752 L753	L692-S749 WeakPolarHBondContact CB-OG 3.33Å; Y711-S749 PolarHBondContact OH-O 3.13Å; M745-S749 WeakPolarHBondContact O-CB 3.45Å; M745-S749 PolarHBondContact O-N 3.15Å; M745-S749 PolarHBondContact O-OG 3.22Å; M746-S749 PolarHBondContact O-N 2.7Å; S749-R751 PolarHBondContact O-N 3.04Å; S749-G752 WeakPolarHBondContact O-CA 3.26Å; S749-G752 PolarHBondContact O-N 2.86Å; S749-L753 WeakPolarHBondContact CA-O 3.43Å
750	M	84.4	Confident	80.5	Confident	103 Å²	103	77.9 Å²	77.9	51%	0.507	39%	0.391	S	S	.	.	H	α-helix	trans	-66.8	-19.8	173.4	-73.4	-172.1	-66.4	0	0	113.5	R699 Y711 M746 E747 G752	R699-M750 PolarHBondContact NH1-O 3.48Å; Y711-M750 HydrophobicContact CD1-CG 4.18Å; Y711-M750 HydrophobicContact CD2-CG 4.4Å; Y711-M750 HydrophobicContact CE1-CG 4.39Å; Y711-M750 HydrophobicContact CG-CG 4.21Å; M746-M750 WeakPolarHBondContact O-CB 3.43Å; M746-M750 WeakPolarHBondContact O-CG 3.32Å; M746-M750 PolarHBondContact O-N 3.28Å; E747-M750 PolarHBondContact O-N 3.18Å; M750-G752 VanDerWaalsContact C-N 3.27Å
751	R	86.1	Confident	78.1	Confident	168 Å²	168	78.4 Å²	78.4	63%	0.634	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.7	167.5	-69.2	179.7	174.9	134.7	8.4	113.3	E747 R748 S749 L753	E747-R751 PolarHBondContact O-N 2.86Å; E747-R751 IonicContact OE1-CZ 3.06Å; E747-R751 IonicContact OE1-NH1 2.85Å; E747-R751 PolarHBondContact OE1-NH1 3.4Å; E747-R751 IonicContact OE1-NH2 2.66Å; E747-R751 PolarHBondContact OE1-NH2 3.04Å; R748-R751 WeakPolarHBondContact O-CB 3.44Å; R748-R751 PolarHBondContact O-N 3.12Å; R748-R751 VanDerWaalsContact O-N 3.12Å; S749-R751 PolarHBondContact O-N 3.04Å; R751-L753 VanDerWaalsContact C-N 3.3Å
752	G	78.9	Confident	75.5	Confident	20 Å²	20	81.2 Å²	81.2	21%	0.206	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	10.2	-176.9	0	0	0	0	0	113.9	R748 S749 M750	R748-G752 PolarHBondContact O-N 2.89Å; S749-G752 WeakPolarHBondContact O-CA 3.26Å; S749-G752 PolarHBondContact O-N 2.86Å; M750-G752 VanDerWaalsContact C-N 3.27Å
753	L	84.1	Confident	72.7	Confident	90 Å²	90	90.3 Å²	90.3	47%	0.471	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-91.6	142.4	175.1	-65.6	172.1	0	0	0	109.4	R748 S749 R751	R748-L753 CarbonylContact C-O 3.45Å; R748-L753 HydrophobicContact CG-CB 3.58Å; R748-L753 HydrophobicContact CG-CD1 4.37Å; R748-L753 PolarHBondContact O-N 3.42Å; R748-L753 VanDerWaalsContact O-N 3.12Å; S749-L753 WeakPolarHBondContact CA-O 3.43Å; R751-L753 VanDerWaalsContact C-N 3.3Å
754	P	80.3	Confident	70.1	Confident	68 Å²	68	91 Å²	91	44%	0.442	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-60.6	137.4	177.1	24.5	-32.8	0	0	0	110.2	R748	R748-P754 WeakPolarHBondContact CD-O 3.33Å; R748-P754 PolarHBondContact NE-O 3.45Å
755	P	79.3	Confident	67.2	Low	10 Å²	10	97 Å²	97	7%	0.065	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-54.3	141.7	173.4	22.8	-33.7	0	0	0	110.7	L692 N693 M745 E757	L692-P755 HydrophobicContact CB-CG 4.2Å; N693-P755 WeakPolarHBondContact OD1-CD 3.35Å; N693-P755 VanDerWaalsContact OD1-CG 3.31Å; N693-P755 WeakPolarHBondContact OD1-CG 3.36Å; M745-P755 HydrophobicContact CB-CB 4.17Å; M745-P755 HydrophobicContact CE-CB 4.12Å; M745-P755 HydrophobicContact CG-CB 4.3Å; P755-E757 PolarHBondContact O-N 3.43Å
756	Q	75.2	Confident	64.4	Low	123 Å²	123	101.1 Å²	101.1	58%	0.575	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-69.3	117.9	174.3	-177	169.4	-3.1	0	0	108.4
757	E	64.8	Low	61.5	Low	138 Å²	138	107.8 Å²	107.8	65%	0.645	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-56.9	139.1	176.8	-89.6	169.7	156	0	0	110.5	P755 Q759	P755-E757 PolarHBondContact O-N 3.43Å; E757-Q759 PolarHBondContact O-N 2.97Å
758	P	60.8	Low	59	Low	48 Å²	48	110.4 Å²	110.4	31%	0.312	57%	0.571	S	S	.	*			trans	-62.1	106.8	173.7	25.4	-30.7	0	0	0	107.6	I760	P758-I760 PolarHBondContact O-N 3.2Å
759	Q	50.1	Low	56.1	Low	156 Å²	156	110.1 Å²	110.1	73%	0.729	58%	0.584	S	S	*	*			trans	-56	108.3	171.7	-68	-71.9	-27	0	0	107	E757 S761	E757-Q759 PolarHBondContact O-N 2.97Å; Q759-S761 PolarHBondContact O-N 3.15Å
760	I	43.9	Very low	53.4	Low	150 Å²	150	120.6 Å²	120.6	77%	0.769	62%	0.623	S	S	*	*			trans	-72.2	81.5	172.1	-54.2	170.4	0	0	0	104.7	P758 K762	P758-I760 PolarHBondContact O-N 3.2Å; I760-K762 PolarHBondContact O-N 2.89Å
761	S	41.3	Very low	50.9	Low	88 Å²	88	125.8 Å²	125.8	62%	0.615	64%	0.643	S	S	*	*			trans	-64.1	88.9	170.8	-61.6	0	0	0	0	107.2	Q759 Q763	Q759-S761 PolarHBondContact O-N 3.15Å; S761-Q763 PolarHBondContact O-N 3.49Å
762	K	36.2	Very low	48.3	Very low	184 Å²	184	123.5 Å²	123.5	80%	0.8	65%	0.65	S	S	*	*			trans	-54.8	106.8	157.3	-69	179.3	179	178.1	0	105.2	I760	I760-K762 PolarHBondContact O-N 2.89Å
763	Q	34.3	Very low	46	Very low	191 Å²	191	127.9 Å²	127.9	89%	0.893	68%	0.684	S	S	*	*			trans	61.5	94.1	168.6	-57.8	170.4	-12.6	0	0	115.2	S761	S761-Q763 PolarHBondContact O-N 3.49Å
764	S	34.7	Very low	43.4	Very low	97 Å²	97	126.9 Å²	126.9	68%	0.678	70%	0.696	S	S	*	*			trans	-127	96.7	146.1	63.6	0	0	0	0	108.2
765	Q	30.4	Very low	41.2	Very low	183 Å²	183	129.7 Å²	129.7	86%	0.855	72%	0.717	S	S	*	*			trans	-52	138.1	153.7	-70.8	172.1	-5.2	0	0	108
766	S	32	Very low	38.8	Very low	98 Å²	98	135.3 Å²	135.3	69%	0.685	76%	0.757	S	S	*	*			trans	57.1	103.6	161.5	60.6	0	0	0	0	118.6
767	D	29.8	Very low	36.6	Very low	162 Å²	162	135.5 Å²	135.5	87%	0.866	77%	0.77	S	S	*	*			trans	-133.6	77	138.8	-94.4	-34.1	0	0	0	108.2	S769	D767-S769 PolarHBondContact O-N 3.15Å
768	V	34.5	Very low	35.1	Very low	148 Å²	148	135.3 Å²	135.3	90%	0.897	78%	0.779	S	S	*	*			trans	-76.9	82.3	163.9	-178.8	0	0	0	0	106.7
769	S	29.9	Very low	33.6	Very low	88 Å²	88	140.8 Å²	140.8	62%	0.615	80%	0.804	S	S	*	*			trans	-115.6	88.4	172.3	157	0	0	0	0	109.4	D767	D767-S769 PolarHBondContact O-N 3.15Å
770	R	30.9	Very low	32.9	Very low	219 Å²	219	138.7 Å²	138.7	83%	0.826	80%	0.804	S	S	*	*			trans	171.9	87.6	137.2	-102.2	173.6	-91.6	173.9	-9.2	111.6
771	F	30.9	Very low	32.5	Very low	212 Å²	212	137.4 Å²	137.4	93%	0.93	81%	0.805	S	S	*	*	S	Bend	trans	-143.6	145.6	137.3	-83.6	-71	0	0	0	107.8
772	P	33	Very low	31.9	Very low	120 Å²	120	137.8 Å²	137.8	78%	0.779	81%	0.814	S	S	*	*			trans	-71.7	143.2	-160.1	28.1	-33.2	0	0	0	112.7	G774	P772-G774 PolarHBondContact O-N 3.07Å
773	A	29.6	Very low	32	Very low	112 Å²	112	139.1 Å²	139.1	93%	0.926	82%	0.82	S	S	*	*			trans	-53.7	126.1	-178.2	0	0	0	0	0	113.2
774	G	29.8	Very low	31.9	Very low	70 Å²	70	133.4 Å²	133.4	72%	0.722	81%	0.813	S	S	*	*			trans	-158	114.6	167.3	0	0	0	0	0	110.1	P772	P772-G774 PolarHBondContact O-N 3.07Å
775	S	34.8	Very low	31.7	Very low	126 Å²	126	134.5 Å²	134.5	88%	0.881	82%	0.821	S	S	*	*			trans	75.3	99.8	169.6	-65.4	0	0	0	0	118.6	C777	S775-C777 PolarHBondContact O-N 2.87Å
776	S	27.9	Very low	31.9	Very low	128 Å²	128	131.8 Å²	131.8	90%	0.895	82%	0.817	S	S	*	*			trans	-45.4	127.6	156.7	-62.7	0	0	0	0	112.4
777	C	30.1	Very low	32.1	Very low	127 Å²	127	132.7 Å²	132.7	86%	0.858	82%	0.82	S	S	*	*			trans	-135.5	131.7	153.5	-155	0	0	0	0	108.9	S775	S775-C777 PolarHBondContact O-N 2.87Å
778	V	31.7	Very low	32.5	Very low	135 Å²	135	133.6 Å²	133.6	82%	0.818	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.6	129.4	-167.9	175.6	0	0	0	0	110.5	P780	V778-P780 WeakPolarHBondContact O-CD 3.34Å
779	L	29.5	Very low	32.6	Very low	163 Å²	163	132.3 Å²	132.3	85%	0.853	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.1	127.1	176.5	-77	158.3	0	0	0	111.6
780	P	36.2	Very low	33	Very low	111 Å²	111	132.1 Å²	132.1	72%	0.721	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-84.5	161.6	159.4	-3.4	23	0	0	0	111.5	V778	V778-P780 WeakPolarHBondContact O-CD 3.34Å
781	P	34.8	Very low	33.8	Very low	123 Å²	123	126.5 Å²	126.5	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-81.5	159.1	-161.1	32.6	-34.6	0	0	0	115.2
782	A	29.3	Very low	34.7	Very low	97 Å²	97	120.9 Å²	120.9	80%	0.802	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57.4	132.7	-168.4	0	0	0	0	0	116.3
783	F	37.9	Very low	35.4	Very low	211 Å²	211	121.5 Å²	121.5	93%	0.925	80%	0.801	S	S	*	*			trans	-129	144.7	154.1	-89.4	-86.1	0	0	0	110.1
784	G	32.9	Very low	37.3	Very low	72 Å²	72	118 Å²	118	74%	0.742	77%	0.768	S	S	*	*			trans	-61.8	155.2	-160.7	0	0	0	0	0	117.2
785	S	30.5	Very low	39.8	Very low	120 Å²	120	118.1 Å²	118.1	84%	0.839	76%	0.755	S	S	*	*			trans	-54.8	120.3	175.5	49.4	0	0	0	0	115
786	T	35.2	Very low	42.4	Very low	125 Å²	125	113.3 Å²	113.3	77%	0.767	72%	0.719	S	S	*	*			trans	-139.7	137.8	145.2	37.7	0	0	0	0	109.1
787	P	35.3	Very low	45.3	Very low	117 Å²	117	112 Å²	112	76%	0.76	70%	0.695	S	S	*	*			trans	-70.3	137.8	-170.2	28.8	-32.6	0	0	0	111.1	V789	P787-V789 PolarHBondContact O-N 3.01Å
788	L	38.4	Very low	48.1	Very low	181 Å²	181	111.8 Å²	111.8	95%	0.948	68%	0.679	S	S	*	*			trans	-65.8	77.3	-179.5	-63	170.6	0	0	0	111.1	A790	L788-A790 PolarHBondContact O-N 2.91Å
789	V	35.9	Very low	50.9	Low	121 Å²	121	109 Å²	109	73%	0.733	66%	0.657	S	S	*	*			trans	-65.4	113.5	150.9	175.2	0	0	0	0	104.7	P787 P791	P787-V789 PolarHBondContact O-N 3.01Å; V789-P791 WeakPolarHBondContact O-CD 3.35Å
790	A	39.3	Very low	53.8	Low	84 Å²	84	101.3 Å²	101.3	69%	0.694	62%	0.617	S	S	*	*			trans	-48.9	115.8	170.3	0	0	0	0	0	107	L788	L788-A790 PolarHBondContact O-N 2.91Å
791	P	46.7	Very low	56.4	Low	102 Å²	102	100.4 Å²	100.4	66%	0.662	60%	0.603	S	S	*	*			trans	-58.6	137.2	-175.5	21.2	-30	0	0	0	107.7	V789	V789-P791 WeakPolarHBondContact O-CD 3.35Å
792	P	49.7	Very low	59.1	Low	93 Å²	93	99.8 Å²	99.8	60%	0.604	59%	0.589	S	S	*	*			trans	-52.5	152.3	177.1	24.4	-34.2	0	0	0	109.2	T794	P792-T794 WeakPolarHBondContact O-CG2 3.31Å; P792-T794 PolarHBondContact O-N 3.41Å
793	P	47.7	Very low	62	Low	133 Å²	133	96.6 Å²	96.6	86%	0.864	56%	0.56	S	S	*	*			trans	-50.2	104.2	-178.3	20.9	-32.6	0	0	0	109.2	T795	P793-T795 PolarHBondContact O-N 3.06Å
794	T	70.2	Confident	64.5	Low	39 Å²	39	86.6 Å²	86.6	24%	0.239	52%	0.516	C	S	.	.			trans	-74.8	121.4	-176.2	49.2	0	0	0	0	106.3	P792 Q799	P792-T794 WeakPolarHBondContact O-CG2 3.31Å; P792-T794 PolarHBondContact O-N 3.41Å; T794-Q799 WeakPolarHBondContact OG1-CG 3.45Å; T794-Q799 PolarHBondContact OG1-NE2 3Å
795	T	82.9	Confident	67.2	Low	73 Å²	73	86.9 Å²	86.9	45%	0.448	51%	0.512	S	S	.	.			trans	-54.2	147.8	166.9	50.2	0	0	0	0	109.4	P793 R797 K798 Q799	P793-T795 PolarHBondContact O-N 3.06Å; T795-R797 PolarHBondContact O-N 2.82Å; T795-K798 WeakPolarHBondContact O-CB 3.48Å; T795-K798 PolarHBondContact O-N 3.47Å; T795-Q799 PolarHBondContact O-N 2.92Å
796	L	88.2	Confident	70.1	Confident	24 Å²	24	88 Å²	88	13%	0.126	50%	0.503	C	S	.	.	H	α-helix	trans	-54.9	-32.3	-177.5	-174.4	134.8	0	0	0	111.9	K798 Q799 V800 F834 N837 F854	L796-K798 PolarHBondContact O-N 2.59Å; L796-Q799 WeakPolarHBondContact O-CB 3.5Å; L796-Q799 PolarHBondContact O-N 3.06Å; L796-V800 HydrophobicContact CD2-CG2 4.24Å; L796-V800 WeakPolarHBondContact O-CG2 3.3Å; L796-V800 PolarHBondContact O-N 2.97Å; L796-F834 HydrophobicContact CD2-CD1 3.42Å; L796-F834 VanDerWaalsContact CD2-CD1 3.42Å; L796-F834 HydrophobicContact CD2-CE1 3.44Å; L796-F834 VanDerWaalsContact CD2-CE1 3.44Å; L796-N837 HydrophobicContact CB-CB 4.48Å; L796-N837 WeakPolarHBondContact CD1-O 3.5Å; L796-N837 PolarHBondContact N-OD1 3.46Å; L796-F854 HydrophobicContact CD1-CB 4.46Å
797	R	89.6	Confident	72.6	Confident	102 Å²	102	88 Å²	88	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-53.3	-51.2	169.4	177.5	-170.9	161.1	-179.8	2	112.9	T795 Q799 V800 E801 F811 Y825 F834	T795-R797 PolarHBondContact O-N 2.82Å; R797-Q799 VanDerWaalsContact C-N 3.27Å; R797-Q799 PolarHBondContact O-N 2.88Å; R797-V800 PolarHBondContact O-N 3.41Å; R797-E801 PolarHBondContact O-N 3.28Å; R797-F811 HydrophobicContact CG-CZ 4.44Å; R797-Y825 PolarHBondContact NE-OH 3.16Å; R797-Y825 PolarHBondContact NH1-OH 2.9Å; R797-Y825 PolarHBondContact NH2-OH 3.35Å; R797-F834 HydrophobicContact CB-CB 4.49Å; R797-F834 HydrophobicContact CB-CD1 4.46Å; R797-F834 HydrophobicContact CB-CD2 3.86Å; R797-F834 HydrophobicContact CB-CE2 4.16Å; R797-F834 HydrophobicContact CB-CG 4.01Å; R797-F834 HydrophobicContact CG-CD2 3.96Å; R797-F834 HydrophobicContact CG-CE2 4.04Å
798	K	88.5	Confident	75.1	Confident	121 Å²	121	85.3 Å²	85.3	53%	0.526	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-33	-179.2	-76.8	-174.5	175.8	-177.6	0	111.6	T795 L796 E801 Q802	T795-K798 WeakPolarHBondContact O-CB 3.48Å; T795-K798 PolarHBondContact O-N 3.47Å; L796-K798 PolarHBondContact O-N 2.59Å; K798-E801 PolarHBondContact O-N 3.28Å; K798-Q802 WeakPolarHBondContact O-CB 3.24Å; K798-Q802 PolarHBondContact O-N 2.71Å
799	Q	89.3	Confident	77.6	Confident	78 Å²	78	78.4 Å²	78.4	36%	0.364	45%	0.445	S	S	.	.	H	α-helix	trans	-66.3	-44.5	174.4	-65.3	-176.9	-23	0	0	111.5	T794 T795 L796 R797 Q802 V803 F854	T794-Q799 WeakPolarHBondContact OG1-CG 3.45Å; T794-Q799 PolarHBondContact OG1-NE2 3Å; T795-Q799 PolarHBondContact O-N 2.92Å; L796-Q799 WeakPolarHBondContact O-CB 3.5Å; L796-Q799 PolarHBondContact O-N 3.06Å; R797-Q799 VanDerWaalsContact C-N 3.27Å; R797-Q799 PolarHBondContact O-N 2.88Å; Q799-Q802 PolarHBondContact O-N 3.28Å; Q799-V803 WeakPolarHBondContact O-CG2 3.16Å; Q799-V803 PolarHBondContact O-N 2.97Å; Q799-F854 HydrophobicContact CB-CE2 4.39Å
800	V	91.5	Very high	80.2	Confident	0 Å²	0	78 Å²	78	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-61.2	-44.5	174.4	174.1	0	0	0	0	110.9	L796 R797 Q802 V803 A804 F811 L827 F834 F854 L857	L796-V800 HydrophobicContact CD2-CG2 4.24Å; L796-V800 WeakPolarHBondContact O-CG2 3.3Å; L796-V800 PolarHBondContact O-N 2.97Å; R797-V800 PolarHBondContact O-N 3.41Å; V800-Q802 PolarHBondContact O-N 2.71Å; V800-V803 PolarHBondContact O-N 3.11Å; V800-A804 WeakPolarHBondContact O-CB 3.04Å; V800-A804 PolarHBondContact O-N 3.31Å; V800-F811 HydrophobicContact CG1-CD2 4.16Å; V800-F811 HydrophobicContact CG1-CE2 3.94Å; V800-F811 HydrophobicContact CG1-CZ 4.5Å; V800-L827 HydrophobicContact CG1-CD1 4.45Å; V800-L827 HydrophobicContact CG1-CD2 4.34Å; V800-F834 HydrophobicContact CB-CE1 4.35Å; V800-F834 HydrophobicContact CB-CZ 4.01Å; V800-F834 HydrophobicContact CG1-CZ 4.13Å; V800-F834 HydrophobicContact CG2-CE1 3.86Å; V800-F834 HydrophobicContact CG2-CZ 4Å; V800-F854 HydrophobicContact CB-CE2 4.44Å; V800-F854 HydrophobicContact CG2-CD2 3.67Å; V800-F854 HydrophobicContact CG2-CE2 3.67Å; V800-L857 HydrophobicContact CG1-CD2 4.03Å; V800-L857 HydrophobicContact CG2-CD2 4.14Å
801	E	91.5	Very high	82.9	Confident	92 Å²	92	75.7 Å²	75.7	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-45	177.1	-176.1	172	-172	0	0	112.3	R797 K798 A805 F811	R797-E801 PolarHBondContact O-N 3.28Å; K798-E801 PolarHBondContact O-N 3.28Å; E801-A805 VanDerWaalsContact O-CB 3.31Å; E801-A805 WeakPolarHBondContact O-CB 2.93Å; E801-A805 PolarHBondContact O-N 3.18Å; E801-F811 HydrophobicContact CB-CD1 3.81Å; E801-F811 HydrophobicContact CB-CE1 3.81Å; E801-F811 HydrophobicContact CG-CD1 3.89Å; E801-F811 HydrophobicContact CG-CE1 4.18Å
802	Q	90.3	Very high	85.1	Confident	111 Å²	111	74.7 Å²	74.7	52%	0.519	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-42.8	179.4	-171.1	177	8.8	0	0	112.2	K798 Q799 V800 A805 Q806	K798-Q802 WeakPolarHBondContact O-CB 3.24Å; K798-Q802 PolarHBondContact O-N 2.71Å; Q799-Q802 PolarHBondContact O-N 3.28Å; V800-Q802 PolarHBondContact O-N 2.71Å; Q802-A805 PolarHBondContact O-N 3.2Å; Q802-Q806 VanDerWaalsContact O-CG 3.31Å; Q802-Q806 WeakPolarHBondContact O-CG 3.47Å; Q802-Q806 PolarHBondContact O-N 3.48Å
803	V	89.5	Confident	87.2	Confident	30 Å²	30	73.5 Å²	73.5	18%	0.182	39%	0.391	C	S	.	.	H	α-helix	trans	-75.6	-33.9	179.9	179.6	0	0	0	0	111.6	Q799 V800 Q806 R807 F854 M858	Q799-V803 WeakPolarHBondContact O-CG2 3.16Å; Q799-V803 PolarHBondContact O-N 2.97Å; V800-V803 PolarHBondContact O-N 3.11Å; V803-Q806 PolarHBondContact O-N 3.39Å; V803-R807 HydrophobicContact CG1-CG 4.46Å; V803-R807 WeakPolarHBondContact O-CB 3.32Å; V803-R807 PolarHBondContact O-N 2.96Å; V803-F854 HydrophobicContact CB-CZ 3.96Å; V803-F854 HydrophobicContact CG1-CZ 4.15Å; V803-F854 HydrophobicContact CG2-CZ 3.81Å; V803-M858 HydrophobicContact CB-CE 4.34Å; V803-M858 HydrophobicContact CG1-CE 3.66Å; V803-M858 HydrophobicContact CG1-SD 4.29Å
804	A	90.7	Very high	89.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-60.2	-47.4	169.6	0	0	0	0	0	110.6	V800 Q806 R807 G808 F809 F811 L827	V800-A804 WeakPolarHBondContact O-CB 3.04Å; V800-A804 PolarHBondContact O-N 3.31Å; A804-Q806 VanDerWaalsContact C-N 3.31Å; A804-Q806 PolarHBondContact O-N 2.93Å; A804-R807 CarbonylContact O-C 3.53Å; A804-R807 PolarHBondContact O-N 3.39Å; A804-G808 CarbonylContact O-C 3.56Å; A804-G808 PolarHBondContact O-N 2.97Å; A804-F809 HydrophobicContact CB-CB 3.97Å; A804-F809 PolarHBondContact O-N 3.35Å; A804-F811 HydrophobicContact CB-CB 3.88Å; A804-L827 HydrophobicContact CB-CD1 3.87Å
805	A	89.8	Confident	90.1	Very high	79 Å²	79	71.7 Å²	71.7	65%	0.653	38%	0.381	S	S	*	.	H	α-helix	trans	-60.1	-38.4	175.3	0	0	0	0	0	112.7	E801 Q802	E801-A805 VanDerWaalsContact O-CB 3.31Å; E801-A805 WeakPolarHBondContact O-CB 2.93Å; E801-A805 PolarHBondContact O-N 3.18Å; Q802-A805 PolarHBondContact O-N 3.2Å
806	Q	91	Very high	90.1	Very high	143 Å²	143	76.6 Å²	76.6	67%	0.668	40%	0.404	S	S	*	.	H	α-helix	trans	-69.2	-36.6	176.2	-74.9	174.5	4.3	0	0	113.4	Q802 V803 A804 G808	Q802-Q806 VanDerWaalsContact O-CG 3.31Å; Q802-Q806 WeakPolarHBondContact O-CG 3.47Å; Q802-Q806 PolarHBondContact O-N 3.48Å; V803-Q806 PolarHBondContact O-N 3.39Å; A804-Q806 VanDerWaalsContact C-N 3.31Å; A804-Q806 PolarHBondContact O-N 2.93Å; Q806-G808 VanDerWaalsContact C-N 3.35Å
807	R	87.9	Confident	90.1	Very high	126 Å²	126	79.3 Å²	79.3	48%	0.475	41%	0.413	S	S	.	.	H	α-helix	trans	-86.7	-5.3	178.4	-69.1	-171.7	179	-171.4	-0.5	113.5	V803 A804 F809 Q862	V803-R807 HydrophobicContact CG1-CG 4.46Å; V803-R807 WeakPolarHBondContact O-CB 3.32Å; V803-R807 PolarHBondContact O-N 2.96Å; A804-R807 CarbonylContact O-C 3.53Å; A804-R807 PolarHBondContact O-N 3.39Å; R807-F809 VanDerWaalsContact C-N 3.34Å; R807-F809 HydrophobicContact CB-CD2 3.75Å; R807-F809 HydrophobicContact CB-CE2 3.66Å; R807-F809 HydrophobicContact CB-CG 4.35Å; R807-F809 HydrophobicContact CB-CZ 4.17Å; R807-F809 HydrophobicContact CG-CE2 4.26Å; R807-Q862 VanDerWaalsContact NH1-NE2 3.12Å
808	G	88.2	Confident	90.1	Very high	60 Å²	60	79.7 Å²	79.7	62%	0.619	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	20	-176.7	0	0	0	0	0	114.2	A804 Q806	A804-G808 CarbonylContact O-C 3.56Å; A804-G808 PolarHBondContact O-N 2.97Å; Q806-G808 VanDerWaalsContact C-N 3.35Å
809	F	92.1	Very high	89.9	Confident	36 Å²	36	77.1 Å²	77.1	16%	0.158	41%	0.409	C	S	.	.			trans	-78	137.4	175.2	-64.5	-41.9	0	0	0	111.8	A804 R807 F811 L827 E828 M858 A861 Q862	A804-F809 HydrophobicContact CB-CB 3.97Å; A804-F809 PolarHBondContact O-N 3.35Å; R807-F809 VanDerWaalsContact C-N 3.34Å; R807-F809 HydrophobicContact CB-CD2 3.75Å; R807-F809 HydrophobicContact CB-CE2 3.66Å; R807-F809 HydrophobicContact CB-CG 4.35Å; R807-F809 HydrophobicContact CB-CZ 4.17Å; R807-F809 HydrophobicContact CG-CE2 4.26Å; F809-F811 PolarHBondContact O-N 2.73Å; F809-L827 HydrophobicContact CB-CD1 4.09Å; F809-E828 VanDerWaalsContact CA-OE1 3.29Å; F809-E828 WeakPolarHBondContact CA-OE1 3.27Å; F809-E828 HydrophobicContact CB-CG 4Å; F809-E828 HydrophobicContact CD1-CG 3.62Å; F809-E828 HydrophobicContact CE1-CG 4.47Å; F809-E828 HydrophobicContact CG-CG 4.08Å; F809-M858 HydrophobicContact CD2-CE 3.6Å; F809-M858 HydrophobicContact CE2-CE 3.66Å; F809-A861 HydrophobicContact CD2-CB 4.34Å; F809-A861 HydrophobicContact CE2-CB 4.29Å; F809-Q862 HydrophobicContact CE1-CG 4.46Å; F809-Q862 HydrophobicContact CE2-CG 4.28Å; F809-Q862 HydrophobicContact CZ-CB 4.48Å; F809-Q862 HydrophobicContact CZ-CG 3.55Å
810	L	90.4	Very high	89.7	Confident	113 Å²	113	81 Å²	81	59%	0.592	43%	0.427	S	S	*	.			trans	-68.3	112.9	171.8	-75.9	167.3	0	0	0	110.3	L827 E828	L810-L827 CarbonylContact O-C 3.55Å; L810-L827 VanDerWaalsContact O-CA 3.32Å; L810-L827 WeakPolarHBondContact O-CA 3.47Å; L810-E828 PolarHBondContact N-OE1 2.98Å; L810-E828 PolarHBondContact O-N 2.75Å
811	F	94.8	Very high	89.4	Confident	34 Å²	34	84 Å²	84	15%	0.149	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	111.8	174.1	-175.8	-101	0	0	0	111	R797 V800 E801 A804 F809 Y825 R826 L827 F834	R797-F811 HydrophobicContact CG-CZ 4.44Å; V800-F811 HydrophobicContact CG1-CD2 4.16Å; V800-F811 HydrophobicContact CG1-CE2 3.94Å; V800-F811 HydrophobicContact CG1-CZ 4.5Å; E801-F811 HydrophobicContact CB-CD1 3.81Å; E801-F811 HydrophobicContact CB-CE1 3.81Å; E801-F811 HydrophobicContact CG-CD1 3.89Å; E801-F811 HydrophobicContact CG-CE1 4.18Å; A804-F811 HydrophobicContact CB-CB 3.88Å; F809-F811 PolarHBondContact O-N 2.73Å; F811-Y825 AromaticContact CE1-CD1 3.87Å; F811-Y825 HydrophobicContact CE1-CD1 3.87Å; F811-Y825 HydrophobicContact CE1-CE1 4.42Å; F811-Y825 HydrophobicContact CE1-CG 4.36Å; F811-Y825 HydrophobicContact CE2-CD1 4.22Å; F811-Y825 AromaticContact CE2-CG 3.94Å; F811-Y825 HydrophobicContact CE2-CG 3.94Å; F811-Y825 AromaticContact CZ-CD1 3.59Å; F811-Y825 HydrophobicContact CZ-CD1 3.59Å; F811-Y825 HydrophobicContact CZ-CD2 4.32Å; F811-Y825 HydrophobicContact CZ-CE1 4.34Å; F811-Y825 AromaticContact CZ-CG 3.62Å; F811-Y825 HydrophobicContact CZ-CG 3.62Å; F811-R826 VanDerWaalsContact CA-O 3.3Å; F811-R826 WeakPolarHBondContact CA-O 3.48Å; F811-L827 HydrophobicContact CB-CD1 4.16Å; F811-L827 HydrophobicContact CD2-CB 4.16Å; F811-L827 HydrophobicContact CD2-CD1 3.87Å; F811-L827 HydrophobicContact CG-CD1 4.47Å; F811-F834 HydrophobicContact CE2-CE2 4.09Å; F811-F834 HydrophobicContact CE2-CZ 4.23Å; F811-F834 AromaticContact CZ-CE2 3.84Å; F811-F834 HydrophobicContact CZ-CE2 3.84Å; F811-F834 HydrophobicContact CZ-CZ 4.24Å
812	H	93.8	Very high	89.4	Confident	82 Å²	82	81.8 Å²	81.8	38%	0.38	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153	178.2	70.4	82.8	0	0	0	112.1	Y825 R826	H812-Y825 WeakPolarHBondContact O-CA 3.41Å; H812-R826 PolarHBondContact N-O 3.08Å; H812-R826 VanDerWaalsContact N-O 3.12Å; H812-R826 PolarHBondContact O-N 3.45Å
813	P	94.1	Very high	89.5	Confident	67 Å²	67	79.4 Å²	79.4	44%	0.435	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	143	174.9	27.4	-33.8	0	0	0	111.1	Q823 Y825	P813-Q823 HydrophobicContact CB-CG 4.02Å; P813-Y825 HydrophobicContact CB-CD1 4.07Å; P813-Y825 HydrophobicContact CB-CE1 3.94Å
814	I	91.8	Very high	89.7	Confident	28 Å²	28	78 Å²	78	14%	0.144	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	113.2	172	-55.1	175.8	0	0	0	107.8	N816 R817 Q823 V824 R826 Q831	I814-N816 PolarHBondContact O-N 3.44Å; I814-R817 HydrophobicContact CB-CB 4.07Å; I814-R817 HydrophobicContact CG2-CB 3.8Å; I814-R817 PolarHBondContact O-N 2.85Å; I814-Q823 PolarHBondContact O-NE2 3.25Å; I814-V824 HydrophobicContact CD1-CG1 4.2Å; I814-V824 PolarHBondContact N-O 3.48Å; I814-R826 HydrophobicContact CD1-CB 3.98Å; I814-R826 HydrophobicContact CG1-CB 3.83Å; I814-Q831 HydrophobicContact CD1-CG 4.09Å
815	S	85.3	Confident	90	Very high	106 Å²	106	78.7 Å²	78.7	74%	0.741	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	138.1	178.3	-53.4	0	0	0	0	111.3	R817	S815-R817 PolarHBondContact O-N 3.04Å
816	N	84.4	Confident	90.2	Very high	176 Å²	176	79.8 Å²	79.8	94%	0.941	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.9	18.8	-179.6	-62.7	-16.5	0	0	0	115.8	I814	I814-N816 PolarHBondContact O-N 3.44Å
817	R	88.3	Confident	90.3	Very high	82 Å²	82	73 Å²	73	31%	0.309	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.6	173.3	-163.1	169.4	-173.7	-175.4	-7.8	111.7	I814 S815 Q823 V824	I814-R817 HydrophobicContact CB-CB 4.07Å; I814-R817 HydrophobicContact CG2-CB 3.8Å; I814-R817 PolarHBondContact O-N 2.85Å; S815-R817 PolarHBondContact O-N 3.04Å; R817-Q823 PolarHBondContact O-NE2 3.45Å; R817-V824 HydrophobicContact CB-CB 4.48Å; R817-V824 HydrophobicContact CG-CB 4.23Å; R817-V824 HydrophobicContact CG-CG2 4.27Å; R817-V824 PolarHBondContact O-N 3.35Å
818	M	89.1	Confident	90.4	Very high	110 Å²	110	70 Å²	70	54%	0.542	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.4	179.6	-62.7	-98.9	-75.2	0	0	109.1	G821 Q822 Q823	M818-G821 WeakPolarHBondContact CE-O 3.49Å; M818-Q822 CarbonylContact C-O 3.29Å; M818-Q822 WeakPolarHBondContact CA-O 3.45Å; M818-Q823 HydrophobicContact SD-CB 4.29Å
819	F	85.4	Confident	90.4	Very high	67 Å²	67	71.1 Å²	71.1	29%	0.294	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.5	171.5	-177.9	-100.8	0	0	0	108.2	G821 Q822 V824 F833 W849	F819-G821 PolarHBondContact O-N 3.49Å; F819-G821 VanDerWaalsContact O-N 3.11Å; F819-Q822 PolarHBondContact N-O 2.67Å; F819-Q822 WeakPolarHBondContact O-CA 3.45Å; F819-Q822 WeakPolarHBondContact O-CB 3.27Å; F819-Q822 PolarHBondContact O-N 2.89Å; F819-V824 HydrophobicContact CB-CG2 4.16Å; F819-F833 HydrophobicContact CD1-CD1 4.12Å; F819-F833 AromaticContact CD1-CE1 3.49Å; F819-F833 HydrophobicContact CD1-CE1 3.49Å; F819-F833 VanDerWaalsContact CD1-CE1 3.49Å; F819-F833 HydrophobicContact CD1-CE2 4.32Å; F819-F833 AromaticContact CD1-CZ 3.62Å; F819-F833 HydrophobicContact CD1-CZ 3.62Å; F819-F833 AromaticContact CE1-CE1 3.98Å; F819-F833 HydrophobicContact CE1-CE1 3.98Å; F819-F833 AromaticContact CE1-CZ 3.93Å; F819-F833 HydrophobicContact CE1-CZ 3.93Å; F819-F833 HydrophobicContact CG-CE1 4.33Å; F819-W849 HydrophobicContact CB-CZ2 4.14Å; F819-W849 AromaticContact CD1-CD1 3.95Å; F819-W849 HydrophobicContact CD1-CG 4.49Å; F819-W849 AromaticContact CD1-NE1 3.79Å; F819-W849 AromaticContact CD2-CD1 3.83Å; F819-W849 AromaticContact CD2-NE1 3.2Å; F819-W849 AromaticContact CE1-CD1 3.66Å; F819-W849 HydrophobicContact CE1-CG 4.3Å; F819-W849 AromaticContact CE1-NE1 3.94Å; F819-W849 AromaticContact CE2-CD1 3.53Å; F819-W849 AromaticContact CE2-NE1 3.37Å; F819-W849 AromaticContact CG-CE2 3.93Å; F819-W849 HydrophobicContact CG-CZ2 4.3Å; F819-W849 AromaticContact CG-NE1 3.42Å; F819-W849 AromaticContact CZ-CD1 3.45Å; F819-W849 VanDerWaalsContact CZ-CD1 3.45Å; F819-W849 HydrophobicContact CZ-CG 4.43Å; F819-W849 AromaticContact CZ-NE1 3.75Å
820	E	84.9	Confident	90.4	Very high	159 Å²	159	70.9 Å²	70.9	74%	0.743	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	37.4	-177.3	-63.4	-176.6	170.8	0	0	114.3	Q822	E820-Q822 PolarHBondContact O-N 2.77Å
821	G	85.3	Confident	90.6	Very high	62 Å²	62	67.2 Å²	67.2	64%	0.639	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	0.9	-177.9	0	0	0	0	0	114.7	M818 F819	M818-G821 WeakPolarHBondContact CE-O 3.49Å; F819-G821 PolarHBondContact O-N 3.49Å; F819-G821 VanDerWaalsContact O-N 3.11Å
822	Q	89.9	Confident	90.6	Very high	47 Å²	47	65.6 Å²	65.6	22%	0.22	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.6	178	-53.3	-159.5	-2.9	0	0	112.3	M818 F819 E820 F833 F834 D835	M818-Q822 CarbonylContact C-O 3.29Å; M818-Q822 WeakPolarHBondContact CA-O 3.45Å; F819-Q822 PolarHBondContact N-O 2.67Å; F819-Q822 WeakPolarHBondContact O-CA 3.45Å; F819-Q822 WeakPolarHBondContact O-CB 3.27Å; F819-Q822 PolarHBondContact O-N 2.89Å; E820-Q822 PolarHBondContact O-N 2.77Å; Q822-F833 HydrophobicContact CB-CD2 4.13Å; Q822-F833 VanDerWaalsContact OE1-CD2 3.25Å; Q822-F834 PolarHBondContact OE1-O 3.16Å; Q822-D835 PolarHBondContact NE2-OD1 3.25Å; Q822-D835 VanDerWaalsContact OE1-CB 3.31Å
823	Q	92.9	Very high	90.6	Very high	60 Å²	60	62 Å²	62	28%	0.28	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128	179.7	-179.7	62.3	61.5	0	0	110.8	P813 I814 R817 M818 Y825	P813-Q823 HydrophobicContact CB-CG 4.02Å; I814-Q823 PolarHBondContact O-NE2 3.25Å; R817-Q823 PolarHBondContact O-NE2 3.45Å; M818-Q823 HydrophobicContact SD-CB 4.29Å; Q823-Y825 HydrophobicContact CB-CE2 4.06Å; Q823-Y825 HydrophobicContact CG-CE1 4.23Å; Q823-Y825 HydrophobicContact CG-CE2 3.97Å; Q823-Y825 WeakPolarHBondContact O-CD2 3.37Å; Q823-Y825 WeakPolarHBondContact O-CE2 3.34Å
824	V	94.9	Very high	90.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.5	172.4	-178.6	0	0	0	0	109.9	I814 R817 F819 Q831 F833 W849	I814-V824 HydrophobicContact CD1-CG1 4.2Å; I814-V824 PolarHBondContact N-O 3.48Å; R817-V824 HydrophobicContact CB-CB 4.48Å; R817-V824 HydrophobicContact CG-CB 4.23Å; R817-V824 HydrophobicContact CG-CG2 4.27Å; R817-V824 PolarHBondContact O-N 3.35Å; F819-V824 HydrophobicContact CB-CG2 4.16Å; V824-Q831 HydrophobicContact CG1-CB 4.15Å; V824-F833 HydrophobicContact CG2-CB 4.35Å; V824-W849 HydrophobicContact CG1-CH2 3.78Å; V824-W849 HydrophobicContact CG2-CH2 3.92Å; V824-W849 HydrophobicContact CG2-CZ2 4.11Å
825	Y	95.7	Very high	90.4	Very high	15 Å²	15	61.3 Å²	61.3	6%	0.059	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.6	177.1	-59.7	-91.5	0	0	0	110.2	R797 F811 H812 P813 Q823 Q831 V832 F834	R797-Y825 PolarHBondContact NE-OH 3.16Å; R797-Y825 PolarHBondContact NH1-OH 2.9Å; R797-Y825 PolarHBondContact NH2-OH 3.35Å; F811-Y825 AromaticContact CE1-CD1 3.87Å; F811-Y825 HydrophobicContact CE1-CD1 3.87Å; F811-Y825 HydrophobicContact CE1-CE1 4.42Å; F811-Y825 HydrophobicContact CE1-CG 4.36Å; F811-Y825 HydrophobicContact CE2-CD1 4.22Å; F811-Y825 AromaticContact CE2-CG 3.94Å; F811-Y825 HydrophobicContact CE2-CG 3.94Å; F811-Y825 AromaticContact CZ-CD1 3.59Å; F811-Y825 HydrophobicContact CZ-CD1 3.59Å; F811-Y825 HydrophobicContact CZ-CD2 4.32Å; F811-Y825 HydrophobicContact CZ-CE1 4.34Å; F811-Y825 AromaticContact CZ-CG 3.62Å; F811-Y825 HydrophobicContact CZ-CG 3.62Å; H812-Y825 WeakPolarHBondContact O-CA 3.41Å; P813-Y825 HydrophobicContact CB-CD1 4.07Å; P813-Y825 HydrophobicContact CB-CE1 3.94Å; Q823-Y825 HydrophobicContact CB-CE2 4.06Å; Q823-Y825 HydrophobicContact CG-CE1 4.23Å; Q823-Y825 HydrophobicContact CG-CE2 3.97Å; Q823-Y825 WeakPolarHBondContact O-CD2 3.37Å; Q823-Y825 WeakPolarHBondContact O-CE2 3.34Å; Y825-Q831 CarbonylContact O-C 3.47Å; Y825-Q831 WeakPolarHBondContact O-CA 3.19Å; Y825-V832 PolarHBondContact N-O 2.85Å; Y825-V832 PolarHBondContact O-N 3.43Å; Y825-F834 AromaticContact CD2-CD2 3.86Å; Y825-F834 HydrophobicContact CD2-CD2 3.86Å; Y825-F834 AromaticContact CD2-CE2 3.79Å; Y825-F834 HydrophobicContact CD2-CE2 3.79Å; Y825-F834 HydrophobicContact CE2-CD2 4.02Å; Y825-F834 HydrophobicContact CE2-CE2 4.31Å; Y825-F834 HydrophobicContact CG-CE2 4.34Å
826	R	94.2	Very high	90.4	Very high	102 Å²	102	67.1 Å²	67.1	39%	0.385	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.6	165	176.9	164.6	-85.6	155.3	-7.5	108	F811 H812 I814 E828 L830	F811-R826 VanDerWaalsContact CA-O 3.3Å; F811-R826 WeakPolarHBondContact CA-O 3.48Å; H812-R826 PolarHBondContact N-O 3.08Å; H812-R826 VanDerWaalsContact N-O 3.12Å; H812-R826 PolarHBondContact O-N 3.45Å; I814-R826 HydrophobicContact CD1-CB 3.98Å; I814-R826 HydrophobicContact CG1-CB 3.83Å; R826-E828 WeakPolarHBondContact CD-O 3.35Å; R826-E828 WeakPolarHBondContact CG-O 3.41Å; R826-L830 WeakPolarHBondContact CA-O 3.42Å
827	L	93.6	Very high	90.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	99.9	168.4	179.7	70.2	0	0	0	107.2	V800 A804 F809 L810 F811 S829 L830 V832 L857 A861	V800-L827 HydrophobicContact CG1-CD1 4.45Å; V800-L827 HydrophobicContact CG1-CD2 4.34Å; A804-L827 HydrophobicContact CB-CD1 3.87Å; F809-L827 HydrophobicContact CB-CD1 4.09Å; L810-L827 CarbonylContact O-C 3.55Å; L810-L827 VanDerWaalsContact O-CA 3.32Å; L810-L827 WeakPolarHBondContact O-CA 3.47Å; F811-L827 HydrophobicContact CB-CD1 4.16Å; F811-L827 HydrophobicContact CD2-CB 4.16Å; F811-L827 HydrophobicContact CD2-CD1 3.87Å; F811-L827 HydrophobicContact CG-CD1 4.47Å; L827-S829 PolarHBondContact O-N 2.87Å; L827-S829 VanDerWaalsContact O-N 3.13Å; L827-L830 PolarHBondContact N-O 3.3Å; L827-L830 WeakPolarHBondContact O-CA 3.43Å; L827-L830 WeakPolarHBondContact O-CB 3.49Å; L827-L830 PolarHBondContact O-N 3.08Å; L827-V832 HydrophobicContact CB-CG2 4.21Å; L827-L857 HydrophobicContact CD2-CD2 3.3Å; L827-L857 HydrophobicContact CD2-CG 4.08Å; L827-A861 HydrophobicContact CD2-CB 3.7Å; L827-A861 HydrophobicContact CG-CB 3.91Å
828	E	90.2	Very high	90.4	Very high	65 Å²	65	62.4 Å²	62.4	30%	0.304	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	-114.1	-169	-71.7	-60.9	156.1	0	0	112.4	F809 L810 R826	F809-E828 VanDerWaalsContact CA-OE1 3.29Å; F809-E828 WeakPolarHBondContact CA-OE1 3.27Å; F809-E828 HydrophobicContact CB-CG 4Å; F809-E828 HydrophobicContact CD1-CG 3.62Å; F809-E828 HydrophobicContact CE1-CG 4.47Å; F809-E828 HydrophobicContact CG-CG 4.08Å; L810-E828 PolarHBondContact N-OE1 2.98Å; L810-E828 PolarHBondContact O-N 2.75Å; R826-E828 WeakPolarHBondContact CD-O 3.35Å; R826-E828 WeakPolarHBondContact CG-O 3.41Å
829	S	87.4	Confident	90.6	Very high	83 Å²	83	57.2 Å²	57.2	58%	0.58	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.3	177.7	60.8	0	0	0	0	113	L827	L827-S829 PolarHBondContact O-N 2.87Å; L827-S829 VanDerWaalsContact O-N 3.13Å
830	L	92	Very high	91	Very high	31 Å²	31	56.9 Å²	56.9	16%	0.162	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	150	-173.6	-55.6	176.7	0	0	0	112.2	R826 L827 V832 V841 R860 A861	R826-L830 WeakPolarHBondContact CA-O 3.42Å; L827-L830 PolarHBondContact N-O 3.3Å; L827-L830 WeakPolarHBondContact O-CA 3.43Å; L827-L830 WeakPolarHBondContact O-CB 3.49Å; L827-L830 PolarHBondContact O-N 3.08Å; L830-V832 HydrophobicContact CB-CG2 4.26Å; L830-V841 HydrophobicContact CB-CG1 4.38Å; L830-V841 HydrophobicContact CD2-CG1 4.2Å; L830-R860 HydrophobicContact CD1-CB 3.63Å; L830-A861 HydrophobicContact CD1-CB 4.3Å
831	Q	94	Very high	91.5	Very high	35 Å²	35	49.5 Å²	49.5	16%	0.164	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.7	170.6	-62.3	161.6	15.3	0	0	108.3	I814 V824 Y825 V841 Y842 W849	I814-Q831 HydrophobicContact CD1-CG 4.09Å; V824-Q831 HydrophobicContact CG1-CB 4.15Å; Y825-Q831 CarbonylContact O-C 3.47Å; Y825-Q831 WeakPolarHBondContact O-CA 3.19Å; Q831-V841 WeakPolarHBondContact O-CA 3.45Å; Q831-Y842 PolarHBondContact O-N 3.32Å; Q831-W849 HydrophobicContact CB-CH2 4.37Å; Q831-W849 WeakPolarHBondContact O-CZ3 3.3Å
832	V	94.9	Very high	91.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.4	-170.1	-173.1	0	0	0	0	110.4	Y825 L827 L830 F834 Y840 V841 L857	Y825-V832 PolarHBondContact N-O 2.85Å; Y825-V832 PolarHBondContact O-N 3.43Å; L827-V832 HydrophobicContact CB-CG2 4.21Å; L830-V832 HydrophobicContact CB-CG2 4.26Å; V832-F834 HydrophobicContact CG1-CE1 4.09Å; V832-F834 HydrophobicContact CG1-CE2 4.19Å; V832-F834 HydrophobicContact CG1-CZ 3.83Å; V832-Y840 CarbonylContact C-O 3.49Å; V832-Y840 WeakPolarHBondContact CA-O 3.22Å; V832-Y840 WeakPolarHBondContact CG1-O 3.13Å; V832-V841 HydrophobicContact CG2-CG2 4.15Å; V832-L857 HydrophobicContact CG1-CD1 3.63Å; V832-L857 HydrophobicContact CG2-CD1 4.14Å
833	F	94.4	Very high	91.7	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	166.6	162.7	80.4	-91.5	0	0	0	110.8	F819 Q822 V824 D835 Y840 W849	F819-F833 HydrophobicContact CD1-CD1 4.12Å; F819-F833 AromaticContact CD1-CE1 3.49Å; F819-F833 HydrophobicContact CD1-CE1 3.49Å; F819-F833 VanDerWaalsContact CD1-CE1 3.49Å; F819-F833 HydrophobicContact CD1-CE2 4.32Å; F819-F833 AromaticContact CD1-CZ 3.62Å; F819-F833 HydrophobicContact CD1-CZ 3.62Å; F819-F833 AromaticContact CE1-CE1 3.98Å; F819-F833 HydrophobicContact CE1-CE1 3.98Å; F819-F833 AromaticContact CE1-CZ 3.93Å; F819-F833 HydrophobicContact CE1-CZ 3.93Å; F819-F833 HydrophobicContact CG-CE1 4.33Å; Q822-F833 HydrophobicContact CB-CD2 4.13Å; Q822-F833 VanDerWaalsContact OE1-CD2 3.25Å; V824-F833 HydrophobicContact CG2-CB 4.35Å; F833-D835 HydrophobicContact CE2-CB 4.08Å; F833-Y840 HydrophobicContact CD2-CD2 4.32Å; F833-Y840 HydrophobicContact CE1-CD2 4.21Å; F833-Y840 AromaticContact CE1-CG 3.83Å; F833-Y840 HydrophobicContact CE1-CG 3.83Å; F833-Y840 AromaticContact CE2-CD2 3.64Å; F833-Y840 HydrophobicContact CE2-CD2 3.64Å; F833-Y840 HydrophobicContact CE2-CE2 4.27Å; F833-Y840 HydrophobicContact CE2-CG 4.11Å; F833-Y840 HydrophobicContact CZ-CD1 4.28Å; F833-Y840 AromaticContact CZ-CD2 3.56Å; F833-Y840 HydrophobicContact CZ-CD2 3.56Å; F833-Y840 HydrophobicContact CZ-CE2 4.3Å; F833-Y840 AromaticContact CZ-CG 3.56Å; F833-Y840 HydrophobicContact CZ-CG 3.56Å; F833-Y840 PolarHBondContact N-O 3.26Å; F833-Y840 PolarHBondContact O-N 2.71Å; F833-W849 AromaticContact CD1-CD2 3.72Å; F833-W849 HydrophobicContact CD1-CD2 3.72Å; F833-W849 AromaticContact CD1-CE3 3.42Å; F833-W849 HydrophobicContact CD1-CE3 3.42Å; F833-W849 VanDerWaalsContact CD1-CE3 3.42Å; F833-W849 HydrophobicContact CD1-CG 4.43Å; F833-W849 AromaticContact CD1-CH2 3.92Å; F833-W849 HydrophobicContact CD1-CH2 3.92Å; F833-W849 HydrophobicContact CD1-CZ2 4.17Å; F833-W849 AromaticContact CD1-CZ3 3.53Å; F833-W849 HydrophobicContact CD1-CZ3 3.53Å; F833-W849 HydrophobicContact CE1-CB 4.05Å; F833-W849 AromaticContact CE1-CD2 3.48Å; F833-W849 HydrophobicContact CE1-CD2 3.48Å; F833-W849 VanDerWaalsContact CE1-CD2 3.48Å; F833-W849 AromaticContact CE1-CE3 3.55Å; F833-W849 HydrophobicContact CE1-CE3 3.55Å; F833-W849 AromaticContact CE1-CG 3.72Å; F833-W849 HydrophobicContact CE1-CG 3.72Å; F833-W849 HydrophobicContact CE1-CZ3 4.16Å
834	F	93.3	Very high	91.1	Very high	30 Å²	30	51.5 Å²	51.5	13%	0.132	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	112.3	-172.7	-58.6	-82.3	0	0	0	111.4	L796 R797 V800 F811 Q822 Y825 V832 V838	L796-F834 HydrophobicContact CD2-CD1 3.42Å; L796-F834 VanDerWaalsContact CD2-CD1 3.42Å; L796-F834 HydrophobicContact CD2-CE1 3.44Å; L796-F834 VanDerWaalsContact CD2-CE1 3.44Å; R797-F834 HydrophobicContact CB-CB 4.49Å; R797-F834 HydrophobicContact CB-CD1 4.46Å; R797-F834 HydrophobicContact CB-CD2 3.86Å; R797-F834 HydrophobicContact CB-CE2 4.16Å; R797-F834 HydrophobicContact CB-CG 4.01Å; R797-F834 HydrophobicContact CG-CD2 3.96Å; R797-F834 HydrophobicContact CG-CE2 4.04Å; V800-F834 HydrophobicContact CB-CE1 4.35Å; V800-F834 HydrophobicContact CB-CZ 4.01Å; V800-F834 HydrophobicContact CG1-CZ 4.13Å; V800-F834 HydrophobicContact CG2-CE1 3.86Å; V800-F834 HydrophobicContact CG2-CZ 4Å; F811-F834 HydrophobicContact CE2-CE2 4.09Å; F811-F834 HydrophobicContact CE2-CZ 4.23Å; F811-F834 AromaticContact CZ-CE2 3.84Å; F811-F834 HydrophobicContact CZ-CE2 3.84Å; F811-F834 HydrophobicContact CZ-CZ 4.24Å; Q822-F834 PolarHBondContact OE1-O 3.16Å; Y825-F834 AromaticContact CD2-CD2 3.86Å; Y825-F834 HydrophobicContact CD2-CD2 3.86Å; Y825-F834 AromaticContact CD2-CE2 3.79Å; Y825-F834 HydrophobicContact CD2-CE2 3.79Å; Y825-F834 HydrophobicContact CE2-CD2 4.02Å; Y825-F834 HydrophobicContact CE2-CE2 4.31Å; Y825-F834 HydrophobicContact CG-CE2 4.34Å; V832-F834 HydrophobicContact CG1-CE1 4.09Å; V832-F834 HydrophobicContact CG1-CE2 4.19Å; V832-F834 HydrophobicContact CG1-CZ 3.83Å; F834-V838 WeakPolarHBondContact CA-O 3.28Å
835	D	89.1	Confident	90.5	Very high	50 Å²	50	56.4 Å²	56.4	27%	0.267	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.9	173.1	-172.5	27.9	0	0	0	110.7	Q822 F833 N837 V838 Y840	Q822-D835 PolarHBondContact NE2-OD1 3.25Å; Q822-D835 VanDerWaalsContact OE1-CB 3.31Å; F833-D835 HydrophobicContact CE2-CB 4.08Å; D835-N837 PolarHBondContact O-N 2.9Å; D835-V838 PolarHBondContact N-O 2.83Å; D835-V838 WeakPolarHBondContact O-CA 3.22Å; D835-V838 WeakPolarHBondContact O-CB 3.43Å; D835-V838 PolarHBondContact O-N 3.37Å; D835-Y840 HydrophobicContact CB-CE2 4.12Å
836	R	85	Confident	89.7	Confident	228 Å²	228	61.6 Å²	61.6	86%	0.86	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.6	46.6	175.5	-64	175.3	-177.1	-167.6	0.7	114.6	V838	R836-V838 VanDerWaalsContact C-N 3.29Å; R836-V838 PolarHBondContact O-N 3.2Å
837	N	82.5	Confident	89.1	Confident	101 Å²	101	58.9 Å²	58.9	54%	0.54	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	20.5	-177.5	-98.7	5.3	0	0	0	115.8	L796 D835	L796-N837 HydrophobicContact CB-CB 4.48Å; L796-N837 WeakPolarHBondContact CD1-O 3.5Å; L796-N837 PolarHBondContact N-OD1 3.46Å; D835-N837 PolarHBondContact O-N 2.9Å
838	V	90.6	Very high	88.8	Confident	59 Å²	59	60.3 Å²	60.3	36%	0.358	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.4	171.1	-176.6	0	0	0	0	109.1	F834 D835 R836 Y840 P851	F834-V838 WeakPolarHBondContact CA-O 3.28Å; D835-V838 PolarHBondContact N-O 2.83Å; D835-V838 WeakPolarHBondContact O-CA 3.22Å; D835-V838 WeakPolarHBondContact O-CB 3.43Å; D835-V838 PolarHBondContact O-N 3.37Å; R836-V838 VanDerWaalsContact C-N 3.29Å; R836-V838 PolarHBondContact O-N 3.2Å; V838-Y840 HydrophobicContact CB-CE2 3.95Å; V838-Y840 HydrophobicContact CG1-CD2 4.35Å; V838-Y840 HydrophobicContact CG1-CE2 3.76Å; V838-P851 HydrophobicContact CG1-CB 4.13Å
839	S	92.3	Very high	89	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.9	174.5	34.3	0	0	0	0	111.5	P851 V852 L857	S839-P851 WeakPolarHBondContact O-CA 3.23Å; S839-V852 PolarHBondContact O-N 3.09Å; S839-V852 PolarHBondContact OG-O 3.14Å; S839-L857 VanDerWaalsContact CB-CD1 3.49Å
840	Y	94.8	Very high	89.2	Confident	60 Å²	60	58.7 Å²	58.7	24%	0.235	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133	175.8	-68.7	-91.8	0	0	0	110.1	V832 F833 D835 V838 L850 P851	V832-Y840 CarbonylContact C-O 3.49Å; V832-Y840 WeakPolarHBondContact CA-O 3.22Å; V832-Y840 WeakPolarHBondContact CG1-O 3.13Å; F833-Y840 HydrophobicContact CD2-CD2 4.32Å; F833-Y840 HydrophobicContact CE1-CD2 4.21Å; F833-Y840 AromaticContact CE1-CG 3.83Å; F833-Y840 HydrophobicContact CE1-CG 3.83Å; F833-Y840 AromaticContact CE2-CD2 3.64Å; F833-Y840 HydrophobicContact CE2-CD2 3.64Å; F833-Y840 HydrophobicContact CE2-CE2 4.27Å; F833-Y840 HydrophobicContact CE2-CG 4.11Å; F833-Y840 HydrophobicContact CZ-CD1 4.28Å; F833-Y840 AromaticContact CZ-CD2 3.56Å; F833-Y840 HydrophobicContact CZ-CD2 3.56Å; F833-Y840 HydrophobicContact CZ-CE2 4.3Å; F833-Y840 AromaticContact CZ-CG 3.56Å; F833-Y840 HydrophobicContact CZ-CG 3.56Å; F833-Y840 PolarHBondContact N-O 3.26Å; F833-Y840 PolarHBondContact O-N 2.71Å; D835-Y840 HydrophobicContact CB-CE2 4.12Å; V838-Y840 HydrophobicContact CB-CE2 3.95Å; V838-Y840 HydrophobicContact CG1-CD2 4.35Å; V838-Y840 HydrophobicContact CG1-CE2 3.76Å; Y840-L850 CarbonylContact C-O 3.25Å; Y840-L850 VanDerWaalsContact CA-O 3.32Å; Y840-L850 WeakPolarHBondContact CA-O 3.49Å; Y840-P851 HydrophobicContact CD1-CB 4Å; Y840-P851 HydrophobicContact CE1-CB 3.7Å; Y840-P851 HydrophobicContact CE1-CG 4.25Å
841	V	94.4	Very high	89.2	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.8	178.9	-178.4	0	0	0	0	109.6	L830 Q831 V832 N843 L850 V852 L857	L830-V841 HydrophobicContact CB-CG1 4.38Å; L830-V841 HydrophobicContact CD2-CG1 4.2Å; Q831-V841 WeakPolarHBondContact O-CA 3.45Å; V832-V841 HydrophobicContact CG2-CG2 4.15Å; V841-N843 PolarHBondContact O-N 2.96Å; V841-L850 PolarHBondContact N-O 3.37Å; V841-L850 PolarHBondContact O-N 3.43Å; V841-V852 HydrophobicContact CB-CG2 3.93Å; V841-V852 HydrophobicContact CG2-CB 3.91Å; V841-V852 HydrophobicContact CG2-CG1 4.45Å; V841-V852 HydrophobicContact CG2-CG2 3.63Å; V841-L857 HydrophobicContact CG2-CD1 4.16Å
842	Y	93.1	Very high	89.1	Confident	71 Å²	71	59.7 Å²	59.7	28%	0.278	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.1	176.5	-174.8	-111.9	0	0	0	110.7	Q831 P844 W849	Q831-Y842 PolarHBondContact O-N 3.32Å; Y842-P844 HydrophobicContact CE1-CB 4.45Å; Y842-W849 HydrophobicContact CD2-CD2 4.16Å; Y842-W849 AromaticContact CD2-CE2 3.88Å; Y842-W849 HydrophobicContact CD2-CZ2 4.07Å; Y842-W849 HydrophobicContact CG-CZ2 4.5Å; Y842-W849 VanDerWaalsContact N-CE3 3.32Å
843	N	86.9	Confident	89	Confident	39 Å²	39	64 Å²	64	21%	0.209	35%	0.352	C	S	.	.			trans	-98.5	111.9	173.1	-168.9	8.3	0	0	0	110	V841 S845 D846 G847 G848 L850	V841-N843 PolarHBondContact O-N 2.96Å; N843-S845 PolarHBondContact O-N 3.28Å; N843-S845 PolarHBondContact OD1-N 3.18Å; N843-S845 PolarHBondContact OD1-OG 3.17Å; N843-D846 PolarHBondContact ND2-OD2 3.19Å; N843-G847 PolarHBondContact O-N 2.85Å; N843-G847 VanDerWaalsContact O-N 3.08Å; N843-G848 PolarHBondContact N-O 2.95Å; N843-L850 HydrophobicContact CB-CD1 3.91Å
844	P	80.7	Confident	88.7	Confident	102 Å²	102	66.8 Å²	66.8	66%	0.662	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.1	-180	24.4	-31.8	0	0	0	113.5	Y842	Y842-P844 HydrophobicContact CE1-CB 4.45Å
845	S	81.3	Confident	88.5	Confident	102 Å²	102	68.8 Å²	68.8	71%	0.713	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-44.5	-178.6	-45.1	0	0	0	0	112.9	N843	N843-S845 PolarHBondContact O-N 3.28Å; N843-S845 PolarHBondContact OD1-N 3.18Å; N843-S845 PolarHBondContact OD1-OG 3.17Å
846	D	79.5	Confident	88.5	Confident	125 Å²	125	70.2 Å²	70.2	67%	0.668	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-9.5	-176.9	-60.5	-37.6	0	0	0	112.5	N843 G848	N843-D846 PolarHBondContact ND2-OD2 3.19Å; D846-G848 PolarHBondContact O-N 3.33Å; D846-G848 VanDerWaalsContact O-N 3.13Å
847	G	80.3	Confident	88.9	Confident	45 Å²	45	59.4 Å²	59.4	46%	0.464	35%	0.351	S	S	.	.	S	Bend	trans	67.9	3.5	-173	0	0	0	0	0	114.6	N843	N843-G847 PolarHBondContact O-N 2.85Å; N843-G847 VanDerWaalsContact O-N 3.08Å
848	G	88.9	Confident	89.3	Confident	30 Å²	30	54.8 Å²	54.8	31%	0.309	33%	0.326	S	S	.	.	S	Bend	trans	-104.4	172.5	-175.9	0	0	0	0	0	115	N843 D846	N843-G848 PolarHBondContact N-O 2.95Å; D846-G848 PolarHBondContact O-N 3.33Å; D846-G848 VanDerWaalsContact O-N 3.13Å
849	W	92.8	Very high	89.2	Confident	45 Å²	45	53.9 Å²	53.9	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.4	175.6	-67.3	95.5	0	0	0	110.5	F819 V824 Q831 F833 Y842	F819-W849 HydrophobicContact CB-CZ2 4.14Å; F819-W849 AromaticContact CD1-CD1 3.95Å; F819-W849 HydrophobicContact CD1-CG 4.49Å; F819-W849 AromaticContact CD1-NE1 3.79Å; F819-W849 AromaticContact CD2-CD1 3.83Å; F819-W849 AromaticContact CD2-NE1 3.2Å; F819-W849 AromaticContact CE1-CD1 3.66Å; F819-W849 HydrophobicContact CE1-CG 4.3Å; F819-W849 AromaticContact CE1-NE1 3.94Å; F819-W849 AromaticContact CE2-CD1 3.53Å; F819-W849 AromaticContact CE2-NE1 3.37Å; F819-W849 AromaticContact CG-CE2 3.93Å; F819-W849 HydrophobicContact CG-CZ2 4.3Å; F819-W849 AromaticContact CG-NE1 3.42Å; F819-W849 AromaticContact CZ-CD1 3.45Å; F819-W849 VanDerWaalsContact CZ-CD1 3.45Å; F819-W849 HydrophobicContact CZ-CG 4.43Å; F819-W849 AromaticContact CZ-NE1 3.75Å; V824-W849 HydrophobicContact CG1-CH2 3.78Å; V824-W849 HydrophobicContact CG2-CH2 3.92Å; V824-W849 HydrophobicContact CG2-CZ2 4.11Å; Q831-W849 HydrophobicContact CB-CH2 4.37Å; Q831-W849 WeakPolarHBondContact O-CZ3 3.3Å; F833-W849 AromaticContact CD1-CD2 3.72Å; F833-W849 HydrophobicContact CD1-CD2 3.72Å; F833-W849 AromaticContact CD1-CE3 3.42Å; F833-W849 HydrophobicContact CD1-CE3 3.42Å; F833-W849 VanDerWaalsContact CD1-CE3 3.42Å; F833-W849 HydrophobicContact CD1-CG 4.43Å; F833-W849 AromaticContact CD1-CH2 3.92Å; F833-W849 HydrophobicContact CD1-CH2 3.92Å; F833-W849 HydrophobicContact CD1-CZ2 4.17Å; F833-W849 AromaticContact CD1-CZ3 3.53Å; F833-W849 HydrophobicContact CD1-CZ3 3.53Å; F833-W849 HydrophobicContact CE1-CB 4.05Å; F833-W849 AromaticContact CE1-CD2 3.48Å; F833-W849 HydrophobicContact CE1-CD2 3.48Å; F833-W849 VanDerWaalsContact CE1-CD2 3.48Å; F833-W849 AromaticContact CE1-CE3 3.55Å; F833-W849 HydrophobicContact CE1-CE3 3.55Å; F833-W849 AromaticContact CE1-CG 3.72Å; F833-W849 HydrophobicContact CE1-CG 3.72Å; F833-W849 HydrophobicContact CE1-CZ3 4.16Å; Y842-W849 HydrophobicContact CD2-CD2 4.16Å; Y842-W849 AromaticContact CD2-CE2 3.88Å; Y842-W849 HydrophobicContact CD2-CZ2 4.07Å; Y842-W849 HydrophobicContact CG-CZ2 4.5Å; Y842-W849 VanDerWaalsContact N-CE3 3.32Å
850	L	91.6	Very high	89.1	Confident	69 Å²	69	58.2 Å²	58.2	36%	0.361	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.9	179.8	-73.1	160.9	0	0	0	110.1	Y840 V841 N843 V852	Y840-L850 CarbonylContact C-O 3.25Å; Y840-L850 VanDerWaalsContact CA-O 3.32Å; Y840-L850 WeakPolarHBondContact CA-O 3.49Å; V841-L850 PolarHBondContact N-O 3.37Å; V841-L850 PolarHBondContact O-N 3.43Å; N843-L850 HydrophobicContact CB-CD1 3.91Å; L850-V852 PolarHBondContact O-N 2.82Å
851	P	93.3	Very high	88.7	Confident	81 Å²	81	55.6 Å²	55.6	53%	0.526	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.3	171.1	27.8	-31.9	0	0	0	109.5	V838 S839 Y840	V838-P851 HydrophobicContact CG1-CB 4.13Å; S839-P851 WeakPolarHBondContact O-CA 3.23Å; Y840-P851 HydrophobicContact CD1-CB 4Å; Y840-P851 HydrophobicContact CE1-CB 3.7Å; Y840-P851 HydrophobicContact CE1-CG 4.25Å
852	V	92.1	Very high	88.2	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.036	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.6	-177.9	-178.5	0	0	0	0	108.6	S839 V841 L850 E856 L857	S839-V852 PolarHBondContact O-N 3.09Å; S839-V852 PolarHBondContact OG-O 3.14Å; V841-V852 HydrophobicContact CB-CG2 3.93Å; V841-V852 HydrophobicContact CG2-CB 3.91Å; V841-V852 HydrophobicContact CG2-CG1 4.45Å; V841-V852 HydrophobicContact CG2-CG2 3.63Å; L850-V852 PolarHBondContact O-N 2.82Å; V852-E856 HydrophobicContact CG1-CB 3.59Å; V852-E856 HydrophobicContact CG1-CG 3.67Å; V852-L857 HydrophobicContact CG1-CB 3.92Å
853	T	91.3	Very high	87	Confident	89 Å²	89	68.5 Å²	68.5	55%	0.546	39%	0.386	S	S	.	.			trans	-70	156.7	176.3	64.8	0	0	0	0	111.2	A855 E856 L857	T853-A855 VanDerWaalsContact C-N 3.3Å; T853-A855 PolarHBondContact O-N 3.12Å; T853-E856 PolarHBondContact O-N 3.46Å; T853-E856 VanDerWaalsContact O-N 3.15Å; T853-E856 VanDerWaalsContact OG1-CB 3.28Å; T853-E856 WeakPolarHBondContact OG1-CB 3.37Å; T853-E856 PolarHBondContact OG1-N 3.31Å; T853-L857 WeakPolarHBondContact O-CB 3.23Å; T853-L857 PolarHBondContact O-N 2.82Å
854	F	89.4	Confident	87	Confident	67 Å²	67	70 Å²	70	29%	0.294	40%	0.395	S	S	.	.	H	α-helix	trans	-53	-46.1	178.5	175.6	-95.7	0	0	0	112.8	L796 Q799 V800 V803 E856 L857 M858	L796-F854 HydrophobicContact CD1-CB 4.46Å; Q799-F854 HydrophobicContact CB-CE2 4.39Å; V800-F854 HydrophobicContact CB-CE2 4.44Å; V800-F854 HydrophobicContact CG2-CD2 3.67Å; V800-F854 HydrophobicContact CG2-CE2 3.67Å; V803-F854 HydrophobicContact CB-CZ 3.96Å; V803-F854 HydrophobicContact CG1-CZ 4.15Å; V803-F854 HydrophobicContact CG2-CZ 3.81Å; F854-E856 PolarHBondContact O-N 2.98Å; F854-L857 PolarHBondContact O-N 2.84Å; F854-M858 HydrophobicContact CD1-CG 4.44Å; F854-M858 HydrophobicContact CD2-CG 4.48Å; F854-M858 HydrophobicContact CE1-CG 3.98Å; F854-M858 HydrophobicContact CE2-CG 4.04Å; F854-M858 HydrophobicContact CE2-SD 4.29Å; F854-M858 HydrophobicContact CZ-CG 3.75Å; F854-M858 HydrophobicContact CZ-SD 4.3Å; F854-M858 VanDerWaalsContact O-CG 3.32Å; F854-M858 WeakPolarHBondContact O-CG 3.29Å; F854-M858 PolarHBondContact O-N 3.03Å
855	A	88.3	Confident	87.3	Confident	72 Å²	72	68.3 Å²	68.3	60%	0.595	38%	0.381	S	S	*	.	H	α-helix	trans	-63.5	-42.2	-179.8	0	0	0	0	0	112.1	T853 M858 A859	T853-A855 VanDerWaalsContact C-N 3.3Å; T853-A855 PolarHBondContact O-N 3.12Å; A855-M858 PolarHBondContact O-N 3.47Å; A855-A859 WeakPolarHBondContact O-CB 3.46Å; A855-A859 PolarHBondContact O-N 3.04Å
856	E	90.3	Very high	87.6	Confident	80 Å²	80	66.4 Å²	66.4	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-70.6	-36.7	179.2	-170.4	-175	175.4	0	0	111.8	V852 T853 F854 A859 R860	V852-E856 HydrophobicContact CG1-CB 3.59Å; V852-E856 HydrophobicContact CG1-CG 3.67Å; T853-E856 PolarHBondContact O-N 3.46Å; T853-E856 VanDerWaalsContact O-N 3.15Å; T853-E856 VanDerWaalsContact OG1-CB 3.28Å; T853-E856 WeakPolarHBondContact OG1-CB 3.37Å; T853-E856 PolarHBondContact OG1-N 3.31Å; F854-E856 PolarHBondContact O-N 2.98Å; E856-A859 PolarHBondContact O-N 2.79Å; E856-R860 WeakPolarHBondContact O-CB 3.18Å; E856-R860 VanDerWaalsContact O-CG 3.32Å; E856-R860 WeakPolarHBondContact O-CG 3.02Å; E856-R860 PolarHBondContact O-N 2.83Å; E856-R860 IonicContact OE1-CZ 3.46Å; E856-R860 IonicContact OE1-NE 3.4Å; E856-R860 PolarHBondContact OE1-NE 3.19Å; E856-R860 IonicContact OE1-NH2 2.71Å; E856-R860 PolarHBondContact OE1-NH2 2.86Å
857	L	92.4	Very high	88.1	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.5	-43.4	175.1	178.1	150.2	0	0	0	111.3	V800 L827 V832 S839 V841 V852 T853 F854 A859 R860 A861	V800-L857 HydrophobicContact CG1-CD2 4.03Å; V800-L857 HydrophobicContact CG2-CD2 4.14Å; L827-L857 HydrophobicContact CD2-CD2 3.3Å; L827-L857 HydrophobicContact CD2-CG 4.08Å; V832-L857 HydrophobicContact CG1-CD1 3.63Å; V832-L857 HydrophobicContact CG2-CD1 4.14Å; S839-L857 VanDerWaalsContact CB-CD1 3.49Å; V841-L857 HydrophobicContact CG2-CD1 4.16Å; V852-L857 HydrophobicContact CG1-CB 3.92Å; T853-L857 WeakPolarHBondContact O-CB 3.23Å; T853-L857 PolarHBondContact O-N 2.82Å; F854-L857 PolarHBondContact O-N 2.84Å; L857-A859 VanDerWaalsContact C-N 3.32Å; L857-A859 PolarHBondContact O-N 3.18Å; L857-R860 PolarHBondContact O-N 3.21Å; L857-A861 WeakPolarHBondContact O-CB 3.46Å; L857-A861 PolarHBondContact O-N 2.79Å
858	M	91.3	Very high	88.6	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.02	34%	0.337	C	S	.	.	H	α-helix	trans	-70.2	-27.4	175.6	-64.5	-54.8	-53.4	0	0	113.1	V803 F809 F854 A855	V803-M858 HydrophobicContact CB-CE 4.34Å; V803-M858 HydrophobicContact CG1-CE 3.66Å; V803-M858 HydrophobicContact CG1-SD 4.29Å; F809-M858 HydrophobicContact CD2-CE 3.6Å; F809-M858 HydrophobicContact CE2-CE 3.66Å; F854-M858 HydrophobicContact CD1-CG 4.44Å; F854-M858 HydrophobicContact CD2-CG 4.48Å; F854-M858 HydrophobicContact CE1-CG 3.98Å; F854-M858 HydrophobicContact CE2-CG 4.04Å; F854-M858 HydrophobicContact CE2-SD 4.29Å; F854-M858 HydrophobicContact CZ-CG 3.75Å; F854-M858 HydrophobicContact CZ-SD 4.3Å; F854-M858 VanDerWaalsContact O-CG 3.32Å; F854-M858 WeakPolarHBondContact O-CG 3.29Å; F854-M858 PolarHBondContact O-N 3.03Å; A855-M858 PolarHBondContact O-N 3.47Å
859	A	89.2	Confident	88.6	Confident	40 Å²	40	66.4 Å²	66.4	33%	0.331	34%	0.339	S	S	.	.	H	α-helix	trans	-74.3	-42.2	172.9	0	0	0	0	0	111.3	A855 E856 L857 A861 Q862 Y863	A855-A859 WeakPolarHBondContact O-CB 3.46Å; A855-A859 PolarHBondContact O-N 3.04Å; E856-A859 PolarHBondContact O-N 2.79Å; L857-A859 VanDerWaalsContact C-N 3.32Å; L857-A859 PolarHBondContact O-N 3.18Å; A859-A861 VanDerWaalsContact C-N 3.3Å; A859-A861 PolarHBondContact O-N 2.81Å; A859-Q862 WeakPolarHBondContact O-CB 3.42Å; A859-Q862 PolarHBondContact O-N 3.14Å; A859-Q862 VanDerWaalsContact O-N 3.17Å; A859-Y863 VanDerWaalsContact O-CD2 3.27Å; A859-Y863 WeakPolarHBondContact O-CD2 3.29Å
860	R	88.6	Confident	88.3	Confident	93 Å²	93	67.9 Å²	67.9	35%	0.351	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-32.8	175.7	-70.2	-179.3	-172.3	-156.1	5.1	112.2	L830 E856 L857 Q862 Y863	L830-R860 HydrophobicContact CD1-CB 3.63Å; E856-R860 WeakPolarHBondContact O-CB 3.18Å; E856-R860 VanDerWaalsContact O-CG 3.32Å; E856-R860 WeakPolarHBondContact O-CG 3.02Å; E856-R860 PolarHBondContact O-N 2.83Å; E856-R860 IonicContact OE1-CZ 3.46Å; E856-R860 IonicContact OE1-NE 3.4Å; E856-R860 PolarHBondContact OE1-NE 3.19Å; E856-R860 IonicContact OE1-NH2 2.71Å; E856-R860 PolarHBondContact OE1-NH2 2.86Å; L857-R860 PolarHBondContact O-N 3.21Å; R860-Q862 PolarHBondContact O-N 2.94Å; R860-Y863 PolarHBondContact O-N 3.09Å
861	A	87.3	Confident	88	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.033	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-14.6	175.9	0	0	0	0	0	113.8	F809 L827 L830 L857 A859	F809-A861 HydrophobicContact CD2-CB 4.34Å; F809-A861 HydrophobicContact CE2-CB 4.29Å; L827-A861 HydrophobicContact CD2-CB 3.7Å; L827-A861 HydrophobicContact CG-CB 3.91Å; L830-A861 HydrophobicContact CD1-CB 4.3Å; L857-A861 WeakPolarHBondContact O-CB 3.46Å; L857-A861 PolarHBondContact O-N 2.79Å; A859-A861 VanDerWaalsContact C-N 3.3Å; A859-A861 PolarHBondContact O-N 2.81Å
862	Q	82.9	Confident	87.6	Confident	113 Å²	113	66.8 Å²	66.8	53%	0.528	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-19.4	174.5	-79	174.9	-19.5	0	0	113.3	R807 F809 A859 R860	R807-Q862 VanDerWaalsContact NH1-NE2 3.12Å; F809-Q862 HydrophobicContact CE1-CG 4.46Å; F809-Q862 HydrophobicContact CE2-CG 4.28Å; F809-Q862 HydrophobicContact CZ-CB 4.48Å; F809-Q862 HydrophobicContact CZ-CG 3.55Å; A859-Q862 WeakPolarHBondContact O-CB 3.42Å; A859-Q862 PolarHBondContact O-N 3.14Å; A859-Q862 VanDerWaalsContact O-N 3.17Å; R860-Q862 PolarHBondContact O-N 2.94Å
863	Y	67.8	Low	87.2	Confident	233 Å²	233	72.3 Å²	72.3	91%	0.914	36%	0.362	S	S	*	.			trans	-107.7	0	-179.1	-66.5	-78.1	0	0	0	110.3	A859 R860	A859-Y863 VanDerWaalsContact O-CD2 3.27Å; A859-Y863 WeakPolarHBondContact O-CD2 3.29Å; R860-Y863 PolarHBondContact O-N 3.09Å

Retrieved 863 of 863 residues in 142.1 ms (Link to these results)

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